#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2i s THR 4 N 0.00 0.45 -0.23 0.00 -1.32 0.27 -4.65 115.64 110.17 3k2i s THR 4 Ca 0.00 -1.03 -0.07 0.00 -1.21 0.00 0.00 61.69 59.38 3k2i s THR 4 Cb 0.00 -0.53 -0.03 0.00 -1.51 0.00 0.00 72.50 70.43 3k2i s THR 4 CO 0.00 -0.40 0.06 -0.22 -2.21 0.00 0.00 174.62 171.85 3k2i s LEU 5 N -1.53 3.52 -0.09 9.08 2.96 -1.26 -1.18 118.68 130.19 3k2i s LEU 5 Ca -0.11 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3k2i s LEU 5 Cb -0.10 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 3k2i s LEU 5 CO 0.00 0.03 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.21 3k2i s ILE 6 N 1.21 2.22 -0.23 6.68 1.01 0.23 -4.97 121.20 127.34 3k2i s ILE 6 Ca 0.04 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.73 3k2i s ILE 6 Cb -0.14 -1.84 0.05 0.00 0.01 0.00 0.00 42.46 40.53 3k2i s ILE 6 CO 0.03 0.56 -0.10 -0.76 0.00 0.00 0.00 174.94 174.67 3k2i s LEU 7 N 0.15 2.87 0.03 2.97 2.01 -1.26 -0.71 118.68 124.74 3k2i s LEU 7 Ca -0.12 -1.18 0.05 0.00 0.01 0.00 0.00 54.13 52.89 3k2i s LEU 7 Cb -0.16 -1.38 -0.02 0.00 0.01 0.00 0.00 46.19 44.64 3k2i s LEU 7 CO 0.07 -0.18 -0.16 -1.61 1.01 0.00 0.00 176.35 175.48 3k2i s GLU 8 N 1.26 1.09 -0.18 1.70 2.02 -0.52 -4.97 118.70 119.09 3k2i s GLU 8 Ca -0.06 -0.74 -0.16 0.00 0.02 0.00 0.00 54.97 54.03 3k2i s GLU 8 Cb -0.18 -1.11 -0.12 0.00 0.10 0.00 0.00 34.13 32.82 3k2i s GLU 8 CO -0.07 0.28 0.00 -2.30 0.02 0.00 0.00 175.26 173.20 3k2i n PRO 9 N 2.07 0.52 0.00 0.39 -0.02 -1.26 -1.39 135.00 135.31 3k2i n PRO 9 Ca -0.17 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3k2i n PRO 9 Cb 0.54 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 3k2i n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k2i h TRP 15 N 2.25 0.97 0.00 0.00 2.91 -1.39 -1.92 115.95 118.77 3k2i h TRP 15 Ca -0.48 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.57 3k2i h TRP 15 Cb 1.20 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.55 3k2i h TRP 15 CO 0.55 0.32 0.00 0.27 -1.03 0.00 0.00 178.44 178.56 3k2i n ASN 16 N -4.74 0.16 -4.54 2.65 6.94 -1.25 -4.75 115.26 109.73 3k2i n ASN 16 Ca 0.18 -1.95 -0.34 0.00 -0.02 0.00 0.00 54.58 52.45 3k2i n ASN 16 Cb 0.39 -0.08 -0.11 0.00 -2.36 0.00 0.00 39.78 37.61 3k2i n ASN 16 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3k2i s GLU 17 N -1.83 3.65 0.45 -3.83 2.02 -0.72 -4.78 118.70 113.65 3k2i s GLU 17 Ca 0.00 -0.47 -0.25 0.00 0.02 0.00 0.00 54.97 54.27 3k2i s GLU 17 Cb 0.00 -2.95 -0.08 0.00 0.10 0.00 0.00 34.13 31.20 3k2i s GLU 17 CO 0.00 0.30 1.29 -1.25 0.02 0.00 0.00 175.26 175.62 3k2i s PRO 18 N 0.21 3.75 0.12 0.39 0.05 -1.26 -4.87 135.00 133.40 3k2i s PRO 18 Ca -0.01 2.11 0.04 0.00 0.05 0.00 0.00 61.00 63.19 3k2i s PRO 18 Cb -0.13 -2.59 -0.04 0.00 0.05 0.00 0.00 34.50 31.79 3k2i s PRO 18 CO 0.02 -0.65 -0.11 0.54 0.05 0.00 0.00 177.00 176.85 3k2i s VAL 19 N -1.32 1.09 -0.28 -0.36 0.11 -1.26 -4.85 120.40 113.52 3k2i s VAL 19 Ca 0.61 -1.85 -0.08 0.00 -2.93 0.00 0.00 61.98 57.73 3k2i s VAL 19 Cb -0.37 -1.61 -0.01 0.00 -1.53 0.00 0.00 36.38 32.86 3k2i s VAL 19 CO 0.46 -0.63 0.11 -0.60 -3.33 0.00 0.00 175.10 171.11 3k2i s ARG 20 N -3.22 3.39 -0.16 1.54 3.52 -0.49 -4.75 118.95 118.78 3k2i s ARG 20 Ca 0.11 -0.66 -0.08 0.00 -0.13 0.00 0.00 55.73 54.96 3k2i s ARG 20 Cb -0.01 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 3k2i s ARG 20 CO 0.01 -0.34 0.13 0.42 -0.81 0.00 0.00 175.30 174.70 3k2i s ILE 21 N 1.59 5.39 -0.01 4.11 1.01 -1.26 -1.44 121.20 130.58 3k2i s ILE 21 Ca 0.05 0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.79 3k2i s ILE 21 Cb -0.16 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.91 3k2i s ILE 21 CO 0.04 0.53 0.17 0.00 0.00 0.00 0.00 174.94 175.68 3k2i s ALA 22 N -0.32 -0.40 -0.06 9.38 0.00 0.11 -1.59 121.76 128.88 3k2i s ALA 22 Ca 0.11 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.11 3k2i s ALA 22 Cb -0.12 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.06 3k2i s ALA 22 CO 0.01 -0.20 -0.09 0.08 0.00 0.00 0.00 175.76 175.56 3k2i s VAL 23 N -1.16 0.90 0.34 0.00 1.01 0.66 0.75 120.40 122.90 3k2i s VAL 23 Ca -0.12 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.60 3k2i s VAL 23 Cb -0.06 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 3k2i s VAL 23 CO 0.02 0.30 0.08 -0.13 0.00 0.00 0.00 175.10 175.36 3k2i s ARG 24 N 0.75 2.21 -0.14 2.72 1.81 -0.32 -0.27 118.95 125.71 3k2i s ARG 24 Ca -0.13 -1.66 0.00 0.00 -1.72 0.00 0.00 55.73 52.21 3k2i s ARG 24 Cb -0.15 -2.04 0.00 0.00 -0.45 0.00 0.00 34.95 32.31 3k2i s ARG 24 CO 0.02 0.12 0.00 0.41 -0.68 0.00 0.00 175.30 175.17 3k2i n GLY 25 N -1.05 0.36 3.98 -3.53 0.00 -1.17 -0.56 105.19 103.22 3k2i n GLY 25 Ca -0.04 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 3k2i n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k2i s LEU 26 N -0.41 3.67 0.82 0.99 1.43 -0.02 -4.02 118.68 121.14 3k2i s LEU 26 Ca 0.00 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 3k2i s LEU 26 Cb 0.00 -2.85 0.09 0.00 0.03 0.00 0.00 46.19 43.47 3k2i s LEU 26 CO 0.00 -0.73 1.16 0.00 0.23 0.00 0.00 176.35 177.01 3k2i s ALA 27 N -2.43 1.85 0.11 4.21 0.00 -1.26 -4.27 121.76 119.96 3k2i s ALA 27 Ca 0.51 0.63 -0.31 0.00 0.00 0.00 0.00 51.96 52.79 3k2i s ALA 27 Cb -0.10 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 3k2i s ALA 27 CO 0.35 -2.26 1.55 -2.14 0.00 0.00 0.00 175.76 173.25 3k2i s PRO 28 N -4.44 4.24 -1.69 0.00 0.02 -1.26 -2.56 135.00 129.31 3k2i s PRO 28 Ca 0.68 2.26 -0.02 0.00 0.02 0.00 0.00 61.00 63.94 3k2i s PRO 28 Cb -0.24 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 30.93 3k2i s PRO 28 CO 0.53 -0.61 0.23 0.39 -0.33 0.00 0.00 177.00 177.20 3k2i n GLU 29 N 4.63 -2.89 -2.26 5.54 1.02 -0.21 -4.94 120.64 121.53 3k2i n GLU 29 Ca 0.14 0.97 -0.38 0.00 -0.02 0.00 0.00 57.16 57.86 3k2i n GLU 29 Cb 0.40 -5.71 -0.02 0.00 -0.02 0.00 0.00 31.44 26.10 3k2i n GLU 29 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3k2i s GLN 30 N -5.30 4.02 -0.26 3.49 0.74 -1.06 -4.55 119.66 116.75 3k2i s GLN 30 Ca 0.11 1.87 -0.23 0.00 0.05 0.00 0.00 55.36 57.17 3k2i s GLN 30 Cb -0.05 -2.67 -0.01 0.00 1.10 0.00 0.00 33.01 31.38 3k2i s GLN 30 CO 0.14 -0.36 0.74 1.03 -0.55 0.00 0.00 175.29 176.29 3k2i s ARG 31 N -2.32 4.11 0.10 1.67 0.52 -1.26 -1.01 118.95 120.77 3k2i s ARG 31 Ca 0.57 0.71 0.06 0.00 -0.52 0.00 0.00 55.73 56.55 3k2i s ARG 31 Cb -0.31 -3.66 -0.03 0.00 0.52 0.00 0.00 34.95 31.46 3k2i s ARG 31 CO 0.40 -0.50 -0.14 0.14 0.02 0.00 0.00 175.30 175.21 3k2i s VAL 32 N 2.71 1.26 -0.16 3.52 -7.23 -0.06 0.32 120.40 120.76 3k2i s VAL 32 Ca 0.31 -1.57 -0.06 0.00 -1.81 0.00 0.00 61.98 58.85 3k2i s VAL 32 Cb -0.15 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 3k2i s VAL 32 CO 0.09 -0.34 0.03 -0.89 -0.31 0.00 0.00 175.10 173.68 3k2i s THR 33 N -1.81 4.54 -0.04 5.32 2.01 -0.33 0.20 115.64 125.54 3k2i s THR 33 Ca 0.05 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 3k2i s THR 33 Cb -0.07 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 3k2i s THR 33 CO 0.03 0.50 0.08 -0.76 -0.69 0.00 0.00 174.62 173.78 3k2i s LEU 34 N 0.06 3.93 0.00 4.42 1.02 0.12 -0.19 118.68 128.04 3k2i s LEU 34 Ca 0.04 0.21 0.01 0.00 0.02 0.00 0.00 54.13 54.41 3k2i s LEU 34 Cb -0.13 -2.15 -0.00 0.00 0.02 0.00 0.00 46.19 43.93 3k2i s LEU 34 CO 0.01 0.32 -0.04 -0.60 0.02 0.00 0.00 176.35 176.06 3k2i s ARG 35 N -1.44 0.30 0.02 1.70 3.52 -0.42 -1.11 118.95 121.52 3k2i s ARG 35 Ca 0.20 -0.19 0.05 0.00 -0.13 0.00 0.00 55.73 55.66 3k2i s ARG 35 Cb -0.12 -0.26 -0.02 0.00 -1.56 0.00 0.00 34.95 32.99 3k2i s ARG 35 CO 0.10 0.07 -0.16 0.00 -0.81 0.00 0.00 175.30 174.50 3k2i s ALA 36 N -0.23 1.32 -0.01 6.12 0.00 0.05 -1.26 121.76 127.74 3k2i s ALA 36 Ca -0.00 -0.80 -0.16 0.00 0.00 0.00 0.00 51.96 51.00 3k2i s ALA 36 Cb -0.02 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.85 3k2i s ALA 36 CO -0.00 0.29 0.33 -1.54 0.00 0.00 0.00 175.76 174.84 3k2i s SER 37 N -0.81 -0.21 -0.10 0.00 1.04 -0.50 -1.82 113.70 111.29 3k2i s SER 37 Ca 0.05 0.10 -0.29 0.00 0.48 0.00 0.00 55.95 56.29 3k2i s SER 37 Cb -0.07 0.32 0.07 0.00 0.10 0.00 0.00 66.02 66.44 3k2i s SER 37 CO 0.01 -0.46 0.68 -1.48 0.98 0.00 0.00 173.24 172.96 3k2i s LEU 38 N -1.35 -0.64 -0.18 2.42 0.05 -0.55 -0.87 118.68 117.56 3k2i s LEU 38 Ca -0.13 0.87 -0.08 0.00 0.05 0.00 0.00 54.13 54.84 3k2i s LEU 38 Cb -0.05 2.49 -0.04 0.00 -2.05 0.00 0.00 46.19 46.54 3k2i s LEU 38 CO 0.04 -0.53 0.07 -0.13 -0.55 0.00 0.00 176.35 175.26 3k2i s ARG 39 N -0.84 3.99 0.00 1.48 0.52 -1.26 -0.34 118.95 122.50 3k2i s ARG 39 Ca -0.09 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 3k2i s ARG 39 Cb -0.01 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.21 3k2i s ARG 39 CO 0.08 0.30 0.00 -0.40 0.02 0.00 0.00 175.30 175.29 3k2i n ASP 40 N 3.48 -0.03 0.23 0.23 5.68 0.44 -4.84 116.55 121.74 3k2i n ASP 40 Ca -0.17 -0.39 0.15 0.00 -0.50 0.00 0.00 54.79 53.89 3k2i n ASP 40 Cb 0.52 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 41.04 3k2i n ASP 40 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3k2i h GLU 41 N 0.00 0.00 -0.41 0.11 5.08 -1.89 -2.57 114.58 114.90 3k2i h GLU 41 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3k2i h GLU 41 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3k2i h GLU 41 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 3k2i n LYS 42 N -2.89 3.50 -0.96 2.33 5.02 -1.26 -4.96 118.16 118.94 3k2i n LYS 42 Ca 0.02 -2.82 0.00 0.00 -2.02 0.00 0.00 58.31 53.49 3k2i n LYS 42 Cb 0.34 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 3k2i n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k2i n GLY 43 N 0.16 0.81 3.74 0.72 0.00 -0.97 -5.02 105.19 104.63 3k2i n GLY 43 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3k2i n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2i s ALA 44 N -3.22 3.36 0.09 4.61 0.00 -1.26 -4.65 121.76 120.69 3k2i s ALA 44 Ca 0.00 0.79 -0.25 0.00 0.00 0.00 0.00 51.96 52.51 3k2i s ALA 44 Cb 0.00 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 3k2i s ALA 44 CO 0.00 -0.15 0.75 -1.17 0.00 0.00 0.00 175.76 175.19 3k2i s LEU 45 N -0.59 4.51 -0.04 0.00 2.96 -1.26 -0.42 118.68 123.84 3k2i s LEU 45 Ca 0.48 1.50 0.05 0.00 -0.22 0.00 0.00 54.13 55.94 3k2i s LEU 45 Cb -0.29 -3.22 -0.01 0.00 0.50 0.00 0.00 46.19 43.17 3k2i s LEU 45 CO 0.35 0.11 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.92 3k2i s PHE 46 N -0.56 2.04 0.07 5.38 0.08 0.53 -1.45 117.98 124.07 3k2i s PHE 46 Ca 0.37 -0.56 -0.05 0.00 0.12 0.00 0.00 56.93 56.81 3k2i s PHE 46 Cb -0.21 -1.35 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 3k2i s PHE 46 CO 0.24 -0.16 0.07 1.03 -0.10 0.00 0.00 175.22 176.30 3k2i s ARG 47 N -0.15 0.72 -0.02 0.44 0.52 -0.36 -1.48 118.95 118.62 3k2i s ARG 47 Ca -0.01 -1.10 -0.29 0.00 -0.52 0.00 0.00 55.73 53.81 3k2i s ARG 47 Cb -0.12 0.27 0.09 0.00 0.52 0.00 0.00 34.95 35.71 3k2i s ARG 47 CO 0.02 -0.18 0.77 0.00 0.02 0.00 0.00 175.30 175.93 3k2i s ALA 48 N -3.88 -1.78 0.17 2.13 0.00 -0.76 -0.76 121.76 116.89 3k2i s ALA 48 Ca 0.06 1.14 -0.14 0.00 0.00 0.00 0.00 51.96 53.02 3k2i s ALA 48 Cb 0.06 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.31 3k2i s ALA 48 CO -0.10 -0.51 0.40 -3.38 0.00 0.00 0.00 175.76 172.17 3k2i s HIS 49 N -2.11 0.09 -0.09 0.00 -3.43 -1.26 -0.77 115.29 107.73 3k2i s HIS 49 Ca -0.03 -0.45 -0.29 0.00 -0.80 0.00 0.00 55.06 53.49 3k2i s HIS 49 Cb -0.01 0.18 0.07 0.00 -1.43 0.00 0.00 32.58 31.40 3k2i s HIS 49 CO -0.01 -0.81 0.68 0.00 -2.00 0.00 0.00 174.74 172.60 3k2i s ALA 50 N -3.91 -1.74 -0.12 -1.38 0.00 -0.26 -0.74 121.76 113.61 3k2i s ALA 50 Ca 0.12 1.42 -0.05 0.00 0.00 0.00 0.00 51.96 53.45 3k2i s ALA 50 Cb 0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 3k2i s ALA 50 CO -0.03 -0.36 0.06 1.03 0.00 0.00 0.00 175.76 176.46 3k2i s ARG 51 N -0.91 3.32 0.21 0.00 0.52 0.10 -0.70 118.95 121.49 3k2i s ARG 51 Ca -0.09 -0.30 -0.01 0.00 -0.52 0.00 0.00 55.73 54.81 3k2i s ARG 51 Cb -0.01 -3.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 3k2i s ARG 51 CO 0.08 0.65 0.13 0.71 0.02 0.00 0.00 175.30 176.89 3k2i s TYR 52 N -0.70 1.20 -0.13 -0.53 2.02 0.13 -0.99 117.35 118.36 3k2i s TYR 52 Ca 0.12 -1.38 0.03 0.00 -0.37 0.00 0.00 57.07 55.46 3k2i s TYR 52 Cb -0.12 -0.58 0.01 0.00 -0.40 0.00 0.00 41.96 40.87 3k2i s TYR 52 CO 0.02 -0.63 -0.21 0.00 -1.57 0.00 0.00 175.55 173.17 3k2i n ALA 54 N 4.02 -0.44 -1.00 0.00 0.00 -0.18 -4.91 120.51 118.00 3k2i n ALA 54 Ca -0.20 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3k2i n ALA 54 Cb 0.52 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.80 3k2i n ALA 54 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k2i n ASP 55 N -2.78 -0.06 0.11 0.00 5.68 0.42 -3.17 116.55 116.76 3k2i n ASP 55 Ca 0.13 -0.87 -0.01 0.00 -0.50 0.00 0.00 54.79 53.53 3k2i n ASP 55 Cb 0.51 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.72 3k2i n ASP 55 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k2i h ALA 56 N -2.00 1.13 0.00 2.12 0.00 -1.93 -0.43 119.26 118.15 3k2i h ALA 56 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3k2i h ALA 56 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3k2i h ALA 56 CO 0.00 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.84 3k2i n GLY 58 N 0.45 -0.37 3.60 0.00 0.00 -0.98 -4.74 105.19 103.15 3k2i n GLY 58 Ca 0.01 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 3k2i n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k2i s GLU 59 N -5.13 2.29 -0.07 1.61 -6.30 -1.26 -0.84 118.70 109.00 3k2i s GLU 59 Ca 0.09 -0.93 0.01 0.00 -2.50 0.00 0.00 54.97 51.64 3k2i s GLU 59 Cb -0.04 -2.39 0.02 0.00 0.00 0.00 0.00 34.13 31.72 3k2i s GLU 59 CO 0.11 0.53 -0.09 -1.17 0.02 0.00 0.00 175.26 174.67 3k2i s LEU 60 N -2.10 1.40 -0.23 2.70 2.96 0.63 -0.44 118.68 123.61 3k2i s LEU 60 Ca 0.22 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3k2i s LEU 60 Cb -0.11 -0.72 0.06 0.00 0.50 0.00 0.00 46.19 45.92 3k2i s LEU 60 CO 0.14 -0.04 -0.06 -0.62 -1.32 0.00 0.00 176.35 174.46 3k2i s ASP 61 N 1.04 3.75 0.57 3.68 2.15 -1.26 -0.25 116.67 126.36 3k2i s ASP 61 Ca -0.08 -1.12 0.38 0.00 0.43 0.00 0.00 52.55 52.16 3k2i s ASP 61 Cb -0.14 -1.16 2.03 0.00 -0.30 0.00 0.00 42.92 43.35 3k2i s ASP 61 CO -0.01 -0.23 2.17 -0.07 -0.17 0.00 0.00 175.17 176.87 3k2i h LEU 62 N 7.97 0.00 -0.07 -1.34 4.07 -1.57 0.11 115.31 124.47 3k2i h LEU 62 Ca -0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.77 3k2i h LEU 62 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 3k2i h LEU 62 CO 0.41 0.00 -0.07 -0.62 -1.08 0.00 0.00 178.44 177.08 3k2i n GLU 63 N -2.89 0.39 0.00 1.13 1.02 -1.26 -3.91 120.64 115.12 3k2i n GLU 63 Ca -0.02 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3k2i n GLU 63 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3k2i n GLU 63 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3k2i n ARG 64 N -1.24 2.45 -3.55 3.49 1.74 0.14 -4.99 116.66 114.70 3k2i n ARG 64 Ca 0.12 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.84 3k2i n ARG 64 Cb 0.28 -0.81 -0.08 0.00 -1.02 0.00 0.00 32.46 30.83 3k2i n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k2i s ALA 65 N -1.56 3.60 0.36 7.54 0.00 0.13 -5.05 121.76 126.77 3k2i s ALA 65 Ca 0.00 -0.62 -0.25 0.00 0.00 0.00 0.00 51.96 51.10 3k2i s ALA 65 Cb 0.00 -2.41 -0.10 0.00 0.00 0.00 0.00 23.12 20.61 3k2i s ALA 65 CO 0.00 -0.08 0.97 -2.14 0.00 0.00 0.00 175.76 174.51 3k2i s PRO 66 N 0.84 4.42 0.28 0.00 0.02 -1.26 -4.69 135.00 134.60 3k2i s PRO 66 Ca 0.14 1.32 -0.29 0.00 0.02 0.00 0.00 61.00 62.18 3k2i s PRO 66 Cb -0.13 -2.61 -0.10 0.00 0.02 0.00 0.00 34.50 31.68 3k2i s PRO 66 CO 0.04 0.13 1.27 0.00 -0.33 0.00 0.00 177.00 178.11 3k2i s ALA 67 N -1.75 3.49 -1.17 -1.55 0.00 -0.15 -4.80 121.76 115.84 3k2i s ALA 67 Ca 0.54 1.15 0.24 0.00 0.00 0.00 0.00 51.96 53.89 3k2i s ALA 67 Cb -0.17 -3.45 0.27 0.00 0.00 0.00 0.00 23.12 19.76 3k2i s ALA 67 CO 0.22 -0.52 1.25 1.28 0.00 0.00 0.00 175.76 177.99 3k2i n LEU 68 N 1.44 0.83 0.00 0.00 4.77 -0.16 -0.93 117.00 122.95 3k2i n LEU 68 Ca 0.02 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3k2i n LEU 68 Cb 0.43 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3k2i n LEU 68 CO 0.58 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 3k2i n GLY 69 N 1.47 0.62 0.00 -0.72 0.00 -1.26 -4.94 105.19 100.38 3k2i n GLY 69 Ca 0.06 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3k2i n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2i n GLY 70 N -0.84 0.31 0.24 -0.02 0.00 -1.26 -0.72 105.19 102.90 3k2i n GLY 70 Ca 0.00 -2.00 0.16 0.00 0.00 0.00 0.00 46.02 44.18 3k2i n GLY 70 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k2i h SER 71 N 0.00 0.00 -5.03 1.61 0.02 -1.33 -3.45 113.55 105.37 3k2i h SER 71 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3k2i h SER 71 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3k2i h SER 71 CO 0.00 0.00 0.29 0.72 -1.14 0.00 0.00 176.83 176.70 3k2i s PHE 72 N -3.82 0.07 0.08 3.45 -0.12 -1.26 -4.99 117.98 111.39 3k2i s PHE 72 Ca -0.04 -0.70 -0.09 0.00 -0.05 0.00 0.00 56.93 56.05 3k2i s PHE 72 Cb 0.09 0.81 0.00 0.00 -0.63 0.00 0.00 43.02 43.30 3k2i s PHE 72 CO 0.29 -1.48 0.20 0.00 -0.05 0.00 0.00 175.22 174.18 3k2i s ALA 73 N -2.53 -0.28 0.00 1.99 0.00 -1.26 -4.02 121.76 115.66 3k2i s ALA 73 Ca 0.15 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.57 3k2i s ALA 73 Cb -0.05 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.54 3k2i s ALA 73 CO 0.10 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3k2i n GLY 74 N 0.04 -2.56 3.52 0.00 0.00 -0.11 -4.80 105.19 101.28 3k2i n GLY 74 Ca -0.16 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 3k2i n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k2i s LEU 75 N 0.00 3.75 -0.39 0.99 2.96 -1.26 -0.98 118.68 123.76 3k2i s LEU 75 Ca 0.00 -0.96 0.02 0.00 -0.22 0.00 0.00 54.13 52.97 3k2i s LEU 75 Cb 0.00 -2.51 0.16 0.00 0.50 0.00 0.00 46.19 44.34 3k2i s LEU 75 CO 0.00 -1.59 0.29 -1.61 -1.32 0.00 0.00 176.35 172.12 3k2i s GLU 76 N 4.82 0.80 0.38 1.98 0.41 -1.26 -5.01 118.70 120.82 3k2i s GLU 76 Ca 0.34 -1.81 0.08 0.00 -0.41 0.00 0.00 54.97 53.16 3k2i s GLU 76 Cb -0.08 -1.43 0.82 0.00 -1.78 0.00 0.00 34.13 31.65 3k2i s GLU 76 CO 0.06 -1.31 1.96 -1.35 -0.49 0.00 0.00 175.26 174.13 3k2i h PRO 77 N 6.23 0.64 -0.70 0.39 0.11 -1.91 -2.36 132.00 134.41 3k2i h PRO 77 Ca 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3k2i h PRO 77 Cb 0.93 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3k2i h PRO 77 CO 0.34 0.43 0.00 -1.33 -0.21 0.00 0.00 178.00 177.22 3k2i n MET 78 N -4.48 3.41 -0.32 1.05 2.81 -1.26 -4.67 117.12 113.66 3k2i n MET 78 Ca 0.11 -2.84 -0.03 0.00 -1.81 0.00 0.00 57.70 53.12 3k2i n MET 78 Cb 0.27 -1.79 0.11 0.00 -0.71 0.00 0.00 33.22 31.09 3k2i n MET 78 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3k2i h GLY 79 N 4.26 1.31 1.78 3.03 0.00 -1.84 -0.10 103.07 111.51 3k2i h GLY 79 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.75 3k2i h GLY 79 CO 0.15 0.56 0.11 1.41 0.00 0.00 0.00 176.54 178.77 3k2i h LEU 80 N 1.23 0.00 0.00 3.11 3.38 -1.83 0.19 115.31 121.39 3k2i h LEU 80 Ca 0.31 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.88 3k2i h LEU 80 Cb 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3k2i h LEU 80 CO -0.05 0.00 -2.37 0.18 0.09 0.00 0.00 178.44 176.29 3k2i n LEU 81 N -3.06 2.06 0.21 1.67 4.77 -0.50 -4.32 117.00 117.82 3k2i n LEU 81 Ca -0.03 0.19 0.08 0.00 -0.03 0.00 0.00 56.01 56.23 3k2i n LEU 81 Cb 0.17 -0.75 0.38 0.00 -2.33 0.00 0.00 43.42 40.89 3k2i n LEU 81 CO 0.18 0.61 0.74 4.11 -1.33 0.00 0.00 177.39 181.71 3k2i h TRP 82 N -0.66 0.00 -0.18 -1.77 5.08 -0.91 -2.94 115.95 114.57 3k2i h TRP 82 Ca -0.60 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.37 3k2i h TRP 82 Cb 1.62 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.78 3k2i h TRP 82 CO -0.05 0.29 0.00 0.00 -1.28 0.00 0.00 178.44 177.39 3k2i n ALA 83 N -2.24 2.51 -1.71 0.11 0.00 0.65 -4.17 120.51 115.64 3k2i n ALA 83 Ca 0.00 -0.44 -0.43 0.00 0.00 0.00 0.00 53.44 52.57 3k2i n ALA 83 Cb 0.48 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 3k2i n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k2i n LEU 84 N 0.14 3.85 -4.27 0.00 4.77 -1.11 -4.71 117.00 115.66 3k2i n LEU 84 Ca 0.13 1.14 -0.29 0.00 -0.03 0.00 0.00 56.01 56.96 3k2i n LEU 84 Cb 0.25 -1.53 -0.15 0.00 -2.33 0.00 0.00 43.42 39.65 3k2i n LEU 84 CO 0.10 -0.08 -0.55 -1.61 -1.33 0.00 0.00 177.39 173.92 3k2i s GLU 85 N -0.31 1.77 0.56 3.23 2.02 0.06 -4.78 118.70 121.26 3k2i s GLU 85 Ca 0.67 -0.90 -0.19 0.00 0.02 0.00 0.00 54.97 54.57 3k2i s GLU 85 Cb -0.56 -1.79 -0.05 0.00 0.10 0.00 0.00 34.13 31.84 3k2i s GLU 85 CO 0.47 0.48 1.12 -1.25 0.02 0.00 0.00 175.26 176.10 3k2i s PRO 86 N -0.78 3.26 0.06 0.39 0.04 -1.26 -1.23 135.00 135.48 3k2i s PRO 86 Ca 0.09 1.55 -0.24 0.00 0.04 0.00 0.00 61.00 62.45 3k2i s PRO 86 Cb -0.09 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.28 3k2i s PRO 86 CO 0.00 -0.91 1.59 1.49 0.04 0.00 0.00 177.00 179.22 3k2i h GLU 87 N 0.97 -0.01 -6.36 4.56 4.81 -1.64 -3.44 114.58 113.48 3k2i h GLU 87 Ca -0.49 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.19 3k2i h GLU 87 Cb 1.26 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 3k2i h GLU 87 CO 0.56 0.14 0.61 0.21 -0.73 0.00 0.00 179.01 179.80 3k2i s LYS 88 N -5.60 4.41 0.64 1.92 2.20 -1.26 -5.01 119.74 117.04 3k2i s LYS 88 Ca -0.14 1.62 -0.15 0.00 -0.36 0.00 0.00 55.97 56.94 3k2i s LYS 88 Cb 0.05 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.86 3k2i s LYS 88 CO 0.66 -0.34 1.10 -2.14 -0.36 0.00 0.00 175.35 174.28 3k2i s PRO 89 N 1.77 2.93 -1.45 4.03 0.02 -1.26 -3.19 135.00 137.86 3k2i s PRO 89 Ca 0.55 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.93 3k2i s PRO 89 Cb -0.24 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.31 3k2i s PRO 89 CO 0.24 -1.14 0.00 1.19 -0.33 0.00 0.00 177.00 176.96 3k2i n PHE 90 N -2.28 0.00 -3.57 6.54 3.72 -1.26 -4.99 117.46 115.62 3k2i n PHE 90 Ca 0.10 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.14 3k2i n PHE 90 Cb 0.52 -2.68 -0.07 0.00 -0.94 0.00 0.00 39.48 36.31 3k2i n PHE 90 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 3k2i s TRP 91 N -2.34 3.47 -0.04 1.38 -0.11 -1.19 -4.67 118.94 115.43 3k2i s TRP 91 Ca 0.00 0.57 -0.02 0.00 1.22 0.00 0.00 56.10 57.87 3k2i s TRP 91 Cb 0.00 -2.30 -0.04 0.00 -1.50 0.00 0.00 33.47 29.63 3k2i s TRP 91 CO 0.00 0.27 0.08 0.50 -4.62 0.00 0.00 176.95 173.18 3k2i s ARG 92 N 0.36 3.12 -0.43 5.86 3.52 -1.26 -4.77 118.95 125.35 3k2i s ARG 92 Ca 0.15 -0.41 -0.29 0.00 -0.13 0.00 0.00 55.73 55.06 3k2i s ARG 92 Cb -0.13 -2.90 0.02 0.00 -1.56 0.00 0.00 34.95 30.38 3k2i s ARG 92 CO 0.03 0.68 1.23 0.12 -0.81 0.00 0.00 175.30 176.55 3k2i s PHE 93 N -1.11 2.71 0.11 5.12 5.36 -1.26 -5.02 117.98 123.89 3k2i s PHE 93 Ca 0.20 0.76 -0.01 0.00 -0.96 0.00 0.00 56.93 56.92 3k2i s PHE 93 Cb -0.12 -4.29 -0.04 0.00 -0.34 0.00 0.00 43.02 38.23 3k2i s PHE 93 CO 0.10 -1.47 0.02 -0.51 -1.46 0.00 0.00 175.22 171.91 3k2i s LEU 94 N 4.66 2.03 -0.22 6.12 1.43 -1.26 -4.91 118.68 126.52 3k2i s LEU 94 Ca 0.52 -1.14 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3k2i s LEU 94 Cb -0.10 0.24 0.06 0.00 0.03 0.00 0.00 46.19 46.42 3k2i s LEU 94 CO 0.30 -0.68 -0.02 -0.75 0.23 0.00 0.00 176.35 175.43 3k2i s LYS 95 N -4.00 1.28 -0.10 1.70 2.36 -1.26 -4.82 119.74 114.90 3k2i s LYS 95 Ca 0.18 -0.80 0.08 0.00 -2.55 0.00 0.00 55.97 52.89 3k2i s LYS 95 Cb 0.08 -2.43 -0.24 0.00 -1.05 0.00 0.00 37.83 34.19 3k2i s LYS 95 CO -0.02 -0.62 0.43 0.54 1.55 0.00 0.00 175.35 177.23 3k2i n ARG 96 N 4.80 0.67 -3.79 4.03 1.74 -1.26 -4.50 116.66 118.35 3k2i n ARG 96 Ca -0.11 0.23 -0.36 0.00 -0.77 0.00 0.00 57.85 56.84 3k2i n ARG 96 Cb 0.45 -1.71 -0.12 0.00 -1.02 0.00 0.00 32.46 30.06 3k2i n ARG 96 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3k2i s ASP 97 N -6.26 5.23 0.51 0.55 2.15 -1.26 -4.80 116.67 112.78 3k2i s ASP 97 Ca -0.12 -2.00 0.30 0.00 0.43 0.00 0.00 52.55 51.15 3k2i s ASP 97 Cb 0.07 -1.82 1.06 0.00 -0.30 0.00 0.00 42.92 41.93 3k2i s ASP 97 CO 0.80 -0.53 1.87 0.58 -0.17 0.00 0.00 175.17 177.72 3k2i h VAL 98 N 6.37 0.08 0.00 1.11 2.07 -1.96 -2.76 116.25 121.16 3k2i h VAL 98 Ca -0.13 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3k2i h VAL 98 Cb 1.05 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 3k2i h VAL 98 CO 0.68 0.03 -0.14 1.56 0.02 0.00 0.00 177.57 179.73 3k2i h GLN 99 N 0.00 0.00 -5.05 1.57 4.20 -1.93 -3.12 115.11 110.78 3k2i h GLN 99 Ca -0.00 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 58.07 3k2i h GLN 99 Cb 0.67 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.23 3k2i h GLN 99 CO 0.00 0.00 -0.62 0.42 -0.67 0.00 0.00 178.83 177.96 3k2i s ILE 100 N -3.15 4.30 0.81 2.54 1.01 -1.04 -4.97 121.20 120.70 3k2i s ILE 100 Ca 0.09 -0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 3k2i s ILE 100 Cb 0.11 -2.98 0.08 0.00 0.01 0.00 0.00 42.46 39.67 3k2i s ILE 100 CO 0.64 0.38 1.09 -2.16 0.00 0.00 0.00 174.94 174.89 3k2i s PRO 101 N 1.26 2.00 0.14 2.79 0.04 -1.26 -4.83 135.00 135.14 3k2i s PRO 101 Ca 0.04 0.71 -0.23 0.00 0.04 0.00 0.00 61.00 61.57 3k2i s PRO 101 Cb -0.15 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 3k2i s PRO 101 CO 0.03 -1.70 0.71 -0.06 0.04 0.00 0.00 177.00 176.03 3k2i s PHE 102 N -3.10 3.86 -0.27 0.56 0.08 -0.83 -4.92 117.98 113.37 3k2i s PHE 102 Ca 0.61 1.51 -0.12 0.00 0.12 0.00 0.00 56.93 59.06 3k2i s PHE 102 Cb -0.15 -2.68 -0.05 0.00 -0.57 0.00 0.00 43.02 39.57 3k2i s PHE 102 CO 0.55 0.53 0.23 0.08 -0.10 0.00 0.00 175.22 176.50 3k2i s VAL 103 N -1.16 5.28 -0.41 -0.44 1.01 -1.26 -0.48 120.40 122.94 3k2i s VAL 103 Ca 0.34 0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 3k2i s VAL 103 Cb -0.22 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.61 3k2i s VAL 103 CO 0.24 0.24 0.50 -0.69 0.00 0.00 0.00 175.10 175.39 3k2i s VAL 104 N 1.74 5.01 -0.39 2.92 1.01 0.28 -4.51 120.40 126.46 3k2i s VAL 104 Ca 0.09 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 3k2i s VAL 104 Cb -0.16 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.18 3k2i s VAL 104 CO 0.10 -0.41 1.32 -0.70 0.00 0.00 0.00 175.10 175.41 3k2i s GLU 105 N 2.37 3.72 -0.04 2.72 2.12 -0.05 -2.11 118.70 127.43 3k2i s GLU 105 Ca 0.16 0.97 -0.04 0.00 0.36 0.00 0.00 54.97 56.42 3k2i s GLU 105 Cb -0.16 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 3k2i s GLU 105 CO 0.15 -1.38 0.17 -0.51 -0.54 0.00 0.00 175.26 173.16 3k2i s LEU 106 N 4.88 4.38 -0.13 2.70 1.43 0.31 -1.41 118.68 130.83 3k2i s LEU 106 Ca 0.57 0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.95 3k2i s LEU 106 Cb -0.13 -2.47 0.04 0.00 0.03 0.00 0.00 46.19 43.65 3k2i s LEU 106 CO 0.29 0.30 0.34 -1.61 0.23 0.00 0.00 176.35 175.90 3k2i s GLU 107 N -1.69 0.37 -0.24 1.70 2.02 -0.39 -1.28 118.70 119.19 3k2i s GLU 107 Ca 0.24 0.52 -0.06 0.00 0.02 0.00 0.00 54.97 55.69 3k2i s GLU 107 Cb -0.12 0.12 -0.02 0.00 0.10 0.00 0.00 34.13 34.21 3k2i s GLU 107 CO 0.15 -0.08 0.04 0.08 0.02 0.00 0.00 175.26 175.47 3k2i s VAL 108 N 0.48 4.06 0.17 2.63 1.01 -0.66 -1.30 120.40 126.79 3k2i s VAL 108 Ca -0.02 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.79 3k2i s VAL 108 Cb -0.04 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 3k2i s VAL 108 CO -0.03 0.36 -0.11 -0.76 0.00 0.00 0.00 175.10 174.57 3k2i s LEU 109 N 1.58 2.93 0.04 3.92 1.43 0.74 -0.96 118.68 128.36 3k2i s LEU 109 Ca 0.06 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 3k2i s LEU 109 Cb -0.15 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3k2i s LEU 109 CO 0.02 0.12 0.91 -0.62 0.23 0.00 0.00 176.35 177.01 3k2i s ASP 110 N -2.71 7.35 0.00 2.29 2.15 -0.79 -1.18 116.67 123.78 3k2i s ASP 110 Ca 0.24 1.62 0.00 0.00 0.43 0.00 0.00 52.55 54.84 3k2i s ASP 110 Cb -0.09 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3k2i s ASP 110 CO 0.14 -0.14 0.00 0.61 -0.17 0.00 0.00 175.17 175.62 3k2i n GLY 111 N 2.62 -0.27 0.08 2.66 0.00 0.15 -3.38 105.19 107.05 3k2i n GLY 111 Ca 0.03 -1.85 0.05 0.00 0.00 0.00 0.00 46.02 44.25 3k2i n GLY 111 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k2i n HIS 112 N -0.33 0.05 -2.78 1.61 8.25 -1.26 -2.27 115.22 118.49 3k2i n HIS 112 Ca 0.00 -0.72 -0.35 0.00 -0.26 0.00 0.00 57.72 56.39 3k2i n HIS 112 Cb 0.00 -0.10 -0.06 0.00 1.12 0.00 0.00 29.99 30.95 3k2i n HIS 112 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3k2i s ASP 113 N -1.80 7.09 0.12 0.41 2.15 -1.26 -4.96 116.67 118.41 3k2i s ASP 113 Ca 0.15 1.78 -0.22 0.00 0.43 0.00 0.00 52.55 54.70 3k2i s ASP 113 Cb 0.13 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 40.14 3k2i s ASP 113 CO 0.02 -0.25 1.69 -0.65 -0.17 0.00 0.00 175.17 175.81 3k2i h PRO 114 N 2.49 -0.10 -6.28 4.34 0.11 -2.01 -3.36 132.00 127.20 3k2i h PRO 114 Ca -0.48 0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.08 3k2i h PRO 114 Cb 1.19 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3k2i h PRO 114 CO 0.63 -0.06 1.24 -1.83 -0.21 0.00 0.00 178.00 177.76 3k2i s GLU 115 N -6.18 3.26 0.27 1.05 -1.05 -1.26 -4.93 118.70 109.87 3k2i s GLU 115 Ca -0.14 1.16 -0.30 0.00 -0.15 0.00 0.00 54.97 55.54 3k2i s GLU 115 Cb 0.09 -4.19 -0.13 0.00 -0.44 0.00 0.00 34.13 29.46 3k2i s GLU 115 CO 0.68 -1.95 1.32 -2.30 0.95 0.00 0.00 175.26 173.96 3k2i n PRO 116 N 8.49 1.95 0.00 -4.83 -0.02 -1.26 -5.01 135.00 134.32 3k2i n PRO 116 Ca 0.21 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3k2i n PRO 116 Cb 0.48 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3k2i n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k2i n GLY 117 N 1.65 -1.18 3.79 -1.23 0.00 -1.22 -5.01 105.19 101.99 3k2i n GLY 117 Ca 0.10 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 3k2i n GLY 117 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3k2i s ARG 118 N -1.53 3.89 -0.15 1.61 1.70 -1.26 -4.57 118.95 118.63 3k2i s ARG 118 Ca 0.00 1.50 -0.29 0.00 -0.47 0.00 0.00 55.73 56.47 3k2i s ARG 118 Cb 0.00 -2.30 -0.02 0.00 -0.57 0.00 0.00 34.95 32.06 3k2i s ARG 118 CO 0.00 -0.38 1.28 -1.17 -1.08 0.00 0.00 175.30 173.95 3k2i s LEU 119 N -3.13 4.20 -0.17 -1.89 2.96 -1.26 -1.88 118.68 117.51 3k2i s LEU 119 Ca 0.64 1.74 0.02 0.00 -0.22 0.00 0.00 54.13 56.31 3k2i s LEU 119 Cb -0.21 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.72 3k2i s LEU 119 CO 0.26 -0.76 0.15 0.18 -1.32 0.00 0.00 176.35 174.86 3k2i n LEU 120 N 6.53 2.17 -3.82 -0.68 4.77 -0.13 -4.98 117.00 120.86 3k2i n LEU 120 Ca 0.14 0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 56.15 3k2i n LEU 120 Cb 0.45 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 3k2i n LEU 120 CO 0.56 0.78 0.58 0.00 -1.33 0.00 0.00 177.39 177.98 3k2i s GLN 122 N -3.60 0.45 -0.15 0.00 -0.21 -1.26 -1.65 119.66 113.24 3k2i s GLN 122 Ca 0.12 -0.63 -0.29 0.00 0.02 0.00 0.00 55.36 54.58 3k2i s GLN 122 Cb -0.04 0.17 0.08 0.00 1.00 0.00 0.00 33.01 34.22 3k2i s GLN 122 CO 0.05 -0.10 0.75 0.00 -2.12 0.00 0.00 175.29 173.88 3k2i s ALA 123 N -1.91 -1.81 -0.12 6.09 0.00 -0.40 -4.88 121.76 118.73 3k2i s ALA 123 Ca -0.11 1.61 0.02 0.00 0.00 0.00 0.00 51.96 53.48 3k2i s ALA 123 Cb -0.06 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.53 3k2i s ALA 123 CO -0.02 -0.34 -0.17 -0.65 0.00 0.00 0.00 175.76 174.58 3k2i s GLN 124 N -0.59 2.43 -0.03 0.00 -0.21 -1.26 -0.53 119.66 119.46 3k2i s GLN 124 Ca -0.06 -0.64 0.03 0.00 0.02 0.00 0.00 55.36 54.72 3k2i s GLN 124 Cb -0.02 -2.04 -0.00 0.00 1.00 0.00 0.00 33.01 31.95 3k2i s GLN 124 CO 0.05 -0.06 -0.13 -1.01 -2.12 0.00 0.00 175.29 172.02 3k2i s HIS 125 N 0.97 1.29 -0.02 0.91 3.76 -0.90 -4.97 115.29 116.33 3k2i s HIS 125 Ca -0.06 -0.34 -0.20 0.00 -0.15 0.00 0.00 55.06 54.31 3k2i s HIS 125 Cb -0.15 -0.88 -0.05 0.00 1.11 0.00 0.00 32.58 32.61 3k2i s HIS 125 CO -0.02 -0.12 0.58 -1.21 -0.85 0.00 0.00 174.74 173.12 3k2i s GLU 126 N 0.09 4.31 -0.11 1.40 2.02 -1.26 -0.55 118.70 124.59 3k2i s GLU 126 Ca -0.03 0.69 0.03 0.00 0.02 0.00 0.00 54.97 55.69 3k2i s GLU 126 Cb -0.10 -3.35 -0.00 0.00 0.10 0.00 0.00 34.13 30.78 3k2i s GLU 126 CO 0.01 0.34 -0.22 1.03 0.02 0.00 0.00 175.26 176.44 3k2i s ARG 127 N -0.08 3.10 0.12 1.61 1.81 0.36 -4.61 118.95 121.27 3k2i s ARG 127 Ca 0.30 -0.85 0.03 0.00 -1.72 0.00 0.00 55.73 53.50 3k2i s ARG 127 Cb -0.18 -2.37 -0.04 0.00 -0.45 0.00 0.00 34.95 31.91 3k2i s ARG 127 CO 0.16 0.16 0.16 -1.01 -0.68 0.00 0.00 175.30 174.09 3k2i s HIS 128 N 0.41 3.29 -0.10 -0.53 3.76 -0.37 -1.97 115.29 119.78 3k2i s HIS 128 Ca -0.16 0.07 0.03 0.00 -0.15 0.00 0.00 55.06 54.86 3k2i s HIS 128 Cb -0.17 -1.61 -0.04 0.00 1.11 0.00 0.00 32.58 31.86 3k2i s HIS 128 CO 0.07 0.53 0.12 1.19 -0.85 0.00 0.00 174.74 175.80 3k2i n PHE 129 N -0.09 0.00 -3.68 1.40 3.72 -1.26 -1.07 117.46 116.48 3k2i n PHE 129 Ca -0.08 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.94 3k2i n PHE 129 Cb 0.53 -0.03 -0.11 0.00 -0.94 0.00 0.00 39.48 38.93 3k2i n PHE 129 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3k2i s LEU 130 N -2.58 5.01 1.15 4.37 2.96 -1.18 -3.85 118.68 124.57 3k2i s LEU 130 Ca 0.00 -1.59 -0.15 0.00 -0.22 0.00 0.00 54.13 52.18 3k2i s LEU 130 Cb 0.02 -1.92 0.27 0.00 0.50 0.00 0.00 46.19 45.06 3k2i s LEU 130 CO 0.14 -0.50 1.05 -2.84 -1.32 0.00 0.00 176.35 172.88 3k2i s PRO 131 N 1.34 -0.79 0.04 0.98 0.02 -1.26 -4.87 135.00 130.46 3k2i s PRO 131 Ca 0.03 0.51 -0.31 0.00 0.02 0.00 0.00 61.00 61.25 3k2i s PRO 131 Cb -0.23 -1.60 -0.10 0.00 0.02 0.00 0.00 34.50 32.60 3k2i s PRO 131 CO 0.00 -3.55 1.92 -2.30 -0.33 0.00 0.00 177.00 172.74 3k2i n PRO 132 N -4.75 2.73 -1.10 5.54 -0.02 -1.26 -2.30 135.00 133.83 3k2i n PRO 132 Ca 0.06 1.00 -0.04 0.00 -2.02 0.00 0.00 63.50 62.50 3k2i n PRO 132 Cb 0.57 -2.92 -0.02 0.00 -0.02 0.00 0.00 33.50 31.12 3k2i n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k2i n GLY 133 N 4.42 0.60 3.73 -1.23 0.00 -1.26 -4.70 105.19 106.74 3k2i n GLY 133 Ca 0.20 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 3k2i n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k2i s VAL 134 N -1.87 4.81 -0.11 1.61 1.01 -0.97 -3.38 120.40 121.49 3k2i s VAL 134 Ca 0.00 1.73 -0.04 0.00 0.00 0.00 0.00 61.98 63.66 3k2i s VAL 134 Cb 0.00 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3k2i s VAL 134 CO 0.00 0.29 0.06 0.86 0.00 0.00 0.00 175.10 176.30 3k2i s TRP 135 N 0.39 3.32 -0.06 5.22 -0.00 -0.41 -4.90 118.94 122.50 3k2i s TRP 135 Ca 0.42 0.28 0.05 0.00 -0.00 0.00 0.00 56.10 56.85 3k2i s TRP 135 Cb -0.20 -1.88 -0.01 0.00 -0.00 0.00 0.00 33.47 31.37 3k2i s TRP 135 CO 0.24 0.50 -0.22 0.50 -0.00 0.00 0.00 176.95 177.96 3k2i s ARG 136 N -0.72 2.62 -0.08 5.86 3.52 -1.26 -0.88 118.95 128.02 3k2i s ARG 136 Ca 0.12 -0.85 -0.03 0.00 -0.13 0.00 0.00 55.73 54.83 3k2i s ARG 136 Cb -0.12 -2.24 0.04 0.00 -1.56 0.00 0.00 34.95 31.08 3k2i s ARG 136 CO 0.02 0.40 0.17 -1.14 -0.81 0.00 0.00 175.30 173.95 3k2i s GLN 137 N -0.20 0.12 0.31 5.12 0.74 -0.12 -4.98 119.66 120.65 3k2i s GLN 137 Ca -0.02 0.42 -0.29 0.00 0.05 0.00 0.00 55.36 55.52 3k2i s GLN 137 Cb -0.13 -0.17 -0.10 0.00 1.10 0.00 0.00 33.01 33.70 3k2i s GLN 137 CO 0.03 -0.17 1.41 -1.12 -0.55 0.00 0.00 175.29 174.89 3k2i s SER 138 N 1.27 6.61 -0.20 6.67 0.01 -1.26 -0.51 113.70 126.29 3k2i s SER 138 Ca -0.08 2.79 0.01 0.00 1.31 0.00 0.00 55.95 59.97 3k2i s SER 138 Cb -0.11 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.50 3k2i s SER 138 CO -0.07 -0.69 -0.18 -0.69 0.41 0.00 0.00 173.24 172.03 3k2i s VAL 139 N -0.72 2.05 -0.45 3.43 1.01 0.10 -4.88 120.40 120.94 3k2i s VAL 139 Ca 0.54 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.48 3k2i s VAL 139 Cb -0.43 -1.93 0.12 0.00 0.00 0.00 0.00 36.38 34.15 3k2i s VAL 139 CO 0.52 0.41 0.21 -0.13 0.00 0.00 0.00 175.10 176.11 3k2i s ARG 140 N 1.26 1.62 -0.09 2.72 1.81 -1.25 -1.86 118.95 123.16 3k2i s ARG 140 Ca 0.02 -2.23 -0.00 0.00 -1.72 0.00 0.00 55.73 51.80 3k2i s ARG 140 Cb -0.14 -2.95 0.02 0.00 -0.45 0.00 0.00 34.95 31.43 3k2i s ARG 140 CO -0.11 -1.09 -0.05 0.00 -0.68 0.00 0.00 175.30 173.37 3k2i s ALA 141 N 0.22 1.11 0.00 2.13 0.00 -1.04 -4.98 121.76 119.19 3k2i s ALA 141 Ca 0.16 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.72 3k2i s ALA 141 Cb -0.24 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.06 3k2i s ALA 141 CO -0.03 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.76 3k2i n GLY 142 N 4.89 3.00 0.16 0.00 0.00 -1.26 -1.19 105.19 110.80 3k2i n GLY 142 Ca -0.12 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 45.82 3k2i n GLY 142 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3k2i n ARG 143 N 14.00 0.84 -2.12 1.61 1.85 -1.26 -4.91 116.66 126.67 3k2i n ARG 143 Ca 0.00 -0.33 -0.42 0.00 -1.00 0.00 0.00 57.85 56.10 3k2i n ARG 143 Cb 0.00 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 29.89 3k2i n ARG 143 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3k2i s VAL 144 N -2.39 3.62 -0.19 8.89 1.01 -0.34 -4.95 120.40 126.05 3k2i s VAL 144 Ca 0.31 0.91 -0.01 0.00 0.00 0.00 0.00 61.98 63.19 3k2i s VAL 144 Cb 0.20 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 33.01 3k2i s VAL 144 CO 0.46 -0.04 -0.14 -0.13 0.00 0.00 0.00 175.10 175.25 3k2i s ARG 145 N 3.13 3.15 0.23 2.72 1.81 -1.26 -2.50 118.95 126.22 3k2i s ARG 145 Ca 0.68 -0.75 -0.22 0.00 -1.72 0.00 0.00 55.73 53.72 3k2i s ARG 145 Cb -0.32 -2.72 0.06 0.00 -0.45 0.00 0.00 34.95 31.52 3k2i s ARG 145 CO 0.27 -0.17 0.92 0.00 -0.68 0.00 0.00 175.30 175.64 3k2i s ALA 146 N 1.28 -1.40 -0.03 2.13 0.00 -0.78 -1.43 121.76 121.54 3k2i s ALA 146 Ca 0.04 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.77 3k2i s ALA 146 Cb -0.14 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.70 3k2i s ALA 146 CO -0.08 -1.04 -0.07 0.99 0.00 0.00 0.00 175.76 175.56 3k2i s THR 147 N -2.85 0.67 -0.11 0.00 2.01 -0.20 -0.72 115.64 114.44 3k2i s THR 147 Ca 0.16 -0.27 -0.04 0.00 0.31 0.00 0.00 61.69 61.85 3k2i s THR 147 Cb -0.03 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 3k2i s THR 147 CO 0.06 0.22 0.03 -0.22 -0.69 0.00 0.00 174.62 174.02 3k2i s LEU 148 N 0.39 3.70 -0.11 4.42 2.96 0.33 -0.75 118.68 129.61 3k2i s LEU 148 Ca -0.06 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 3k2i s LEU 148 Cb -0.10 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.73 3k2i s LEU 148 CO 0.00 0.32 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.83 3k2i s PHE 149 N -0.55 2.11 -0.12 5.38 0.08 -0.24 -0.95 117.98 123.70 3k2i s PHE 149 Ca 0.10 -0.98 0.00 0.00 0.12 0.00 0.00 56.93 56.17 3k2i s PHE 149 Cb -0.12 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.82 3k2i s PHE 149 CO 0.02 -0.48 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.02 3k2i s LEU 150 N 0.86 2.71 0.95 -0.37 1.43 -0.05 -1.36 118.68 122.85 3k2i s LEU 150 Ca -0.09 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 3k2i s LEU 150 Cb -0.15 -1.61 0.16 0.00 0.03 0.00 0.00 46.19 44.62 3k2i s LEU 150 CO -0.00 0.18 1.09 -2.84 0.23 0.00 0.00 176.35 175.01 3k2i s PRO 151 N 0.26 0.79 0.54 1.29 0.02 -1.26 -1.28 135.00 135.35 3k2i s PRO 151 Ca -0.09 1.02 -0.18 0.00 0.02 0.00 0.00 61.00 61.77 3k2i s PRO 151 Cb -0.16 -1.74 -0.06 0.00 0.02 0.00 0.00 34.50 32.56 3k2i s PRO 151 CO 0.05 -2.62 1.05 -1.25 -0.33 0.00 0.00 177.00 173.90 3k2i s PRO 152 N -4.76 3.57 0.00 5.54 0.04 -1.22 -4.77 135.00 133.40 3k2i s PRO 152 Ca 0.65 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.97 3k2i s PRO 152 Cb -0.21 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3k2i s PRO 152 CO 0.59 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.43 3k2i n GLY 153 N -0.63 1.71 0.35 0.56 0.00 -1.26 -4.86 105.19 101.06 3k2i n GLY 153 Ca 0.09 -2.16 0.01 0.00 0.00 0.00 0.00 46.02 43.96 3k2i n GLY 153 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k2i h PRO 154 N 0.00 0.97 0.00 1.61 0.11 -2.04 -3.49 132.00 129.16 3k2i h PRO 154 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3k2i h PRO 154 Cb 0.00 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.89 3k2i h PRO 154 CO 0.00 0.64 0.00 0.41 -0.21 0.00 0.00 178.00 178.84 3k2i n GLY 155 N -1.42 -1.36 3.63 -0.55 0.00 -1.26 -4.98 105.19 99.25 3k2i n GLY 155 Ca 0.08 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 3k2i n GLY 155 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k2i s PRO 156 N 0.00 0.20 0.12 1.61 0.04 -1.26 -5.13 135.00 130.58 3k2i s PRO 156 Ca 0.00 0.67 0.10 0.00 0.04 0.00 0.00 61.00 61.81 3k2i s PRO 156 Cb 0.00 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 3k2i s PRO 156 CO 0.00 -2.93 -0.25 -0.06 0.04 0.00 0.00 177.00 173.80 3k2i s PHE 157 N -2.82 2.18 0.39 0.56 0.08 0.10 -4.66 117.98 113.81 3k2i s PHE 157 Ca 0.66 -0.39 -0.27 0.00 0.12 0.00 0.00 56.93 57.05 3k2i s PHE 157 Cb -0.20 -1.19 -0.09 0.00 -0.57 0.00 0.00 43.02 40.97 3k2i s PHE 157 CO 0.59 0.30 1.36 -1.25 -0.10 0.00 0.00 175.22 176.12 3k2i s PRO 158 N -1.98 4.06 -0.08 0.24 0.05 -1.26 0.62 135.00 136.64 3k2i s PRO 158 Ca 0.12 2.29 0.01 0.00 0.05 0.00 0.00 61.00 63.47 3k2i s PRO 158 Cb -0.10 -2.87 -0.03 0.00 0.05 0.00 0.00 34.50 31.56 3k2i s PRO 158 CO 0.05 -0.47 -0.08 0.20 0.05 0.00 0.00 177.00 176.76 3k2i s GLY 159 N -0.52 1.67 -0.02 0.56 0.00 -1.26 -0.06 107.32 107.69 3k2i s GLY 159 Ca 0.54 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 44.40 3k2i s GLY 159 CO 0.54 -0.58 -0.09 -0.42 0.00 0.00 0.00 173.10 172.55 3k2i s ILE 160 N -0.59 0.79 -0.13 0.90 1.01 -0.09 -0.16 121.20 122.92 3k2i s ILE 160 Ca 0.09 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.30 3k2i s ILE 160 Cb -0.12 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 3k2i s ILE 160 CO 0.02 0.24 0.06 -0.63 0.00 0.00 0.00 174.94 174.63 3k2i s ILE 161 N 0.07 4.85 -0.18 2.92 1.01 -0.10 -0.63 121.20 129.14 3k2i s ILE 161 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.61 3k2i s ILE 161 Cb -0.07 -3.12 0.01 0.00 0.01 0.00 0.00 42.46 39.29 3k2i s ILE 161 CO 0.00 0.55 -0.17 -0.62 0.00 0.00 0.00 174.94 174.71 3k2i s ASP 162 N -0.45 3.39 -0.19 3.58 2.15 -0.07 -1.33 116.67 123.75 3k2i s ASP 162 Ca 0.10 -0.57 -0.00 0.00 0.43 0.00 0.00 52.55 52.50 3k2i s ASP 162 Cb -0.12 -1.53 0.05 0.00 -0.30 0.00 0.00 42.92 41.02 3k2i s ASP 162 CO 0.02 0.02 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.35 3k2i s ILE 163 N 1.17 1.30 0.83 4.11 1.01 -0.29 -1.84 121.20 127.48 3k2i s ILE 163 Ca 0.02 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 3k2i s ILE 163 Cb -0.14 -1.49 0.09 0.00 0.01 0.00 0.00 42.46 40.93 3k2i s ILE 163 CO -0.08 0.06 1.11 -0.36 0.00 0.00 0.00 174.94 175.67 3k2i s PHE 164 N 1.53 2.75 0.00 3.97 0.08 -1.26 -2.17 117.98 122.89 3k2i s PHE 164 Ca -0.01 1.04 0.00 0.00 0.12 0.00 0.00 56.93 58.07 3k2i s PHE 164 Cb -0.16 -3.22 0.00 0.00 -0.57 0.00 0.00 43.02 39.07 3k2i s PHE 164 CO -0.07 -1.94 0.00 0.41 -0.10 0.00 0.00 175.22 173.52 3k2i n GLY 165 N -2.21 0.09 3.56 4.36 0.00 -0.98 -3.19 105.19 106.81 3k2i n GLY 165 Ca 0.07 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 3k2i n GLY 165 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3k2i n ILE 166 N -0.36 2.52 0.00 -0.61 -6.64 -1.26 -4.06 119.36 108.95 3k2i n ILE 166 Ca 0.00 -0.50 0.00 0.00 -1.77 0.00 0.00 62.75 60.48 3k2i n ILE 166 Cb 0.00 -0.97 0.00 0.00 -1.44 0.00 0.00 39.64 37.23 3k2i n ILE 166 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3k2i n GLY 167 N 1.40 4.38 7.00 3.28 0.00 -1.26 -5.08 105.19 114.91 3k2i n GLY 167 Ca 0.11 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3k2i n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2i n GLY 168 N 0.00 -0.84 6.30 -0.02 0.00 -1.26 -4.98 105.19 104.39 3k2i n GLY 168 Ca 0.00 -1.09 0.02 0.00 0.00 0.00 0.00 46.02 44.95 3k2i n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2i n GLY 169 N 0.00 -1.32 2.90 -0.02 0.00 -0.47 -4.77 105.19 101.51 3k2i n GLY 169 Ca 0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 3k2i n GLY 169 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k2i s LEU 170 N 0.00 3.21 -0.21 0.99 2.96 -1.26 -4.63 118.68 119.74 3k2i s LEU 170 Ca 0.00 -1.65 -0.09 0.00 -0.22 0.00 0.00 54.13 52.17 3k2i s LEU 170 Cb 0.00 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.41 3k2i s LEU 170 CO 0.00 -0.34 0.11 -0.76 -1.32 0.00 0.00 176.35 174.04 3k2i s LEU 171 N 1.30 3.97 -0.00 -0.68 1.43 -1.26 -4.99 118.68 118.44 3k2i s LEU 171 Ca 0.05 0.10 0.13 0.00 -1.03 0.00 0.00 54.13 53.38 3k2i s LEU 171 Cb -0.18 -2.03 -0.15 0.00 0.03 0.00 0.00 46.19 43.86 3k2i s LEU 171 CO -0.13 0.13 0.49 -0.62 0.23 0.00 0.00 176.35 176.45 3k2i n GLU 172 N 3.84 2.36 0.24 1.70 1.02 -1.26 -4.71 120.64 123.83 3k2i n GLU 172 Ca -0.16 -0.02 0.09 0.00 -0.02 0.00 0.00 57.16 57.05 3k2i n GLU 172 Cb 0.52 -1.14 0.59 0.00 -0.02 0.00 0.00 31.44 31.40 3k2i n GLU 172 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 3k2i h TYR 173 N 0.00 0.00 -0.07 -0.32 -0.00 -1.94 -0.38 116.97 114.26 3k2i h TYR 173 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.64 3k2i h TYR 173 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.09 3k2i h TYR 173 CO 0.00 0.18 -0.31 -0.09 -0.00 0.00 0.00 178.16 177.94 3k2i h ARG 174 N 0.00 0.33 -0.39 0.10 2.43 -1.96 -3.01 114.38 111.88 3k2i h ARG 174 Ca -0.00 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 58.84 3k2i h ARG 174 Cb 0.40 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3k2i h ARG 174 CO 0.02 0.91 0.02 0.00 -1.51 0.00 0.00 179.97 179.41 3k2i h ALA 175 N 0.43 0.53 -0.40 2.80 0.00 -1.62 -2.18 119.26 118.81 3k2i h ALA 175 Ca -0.02 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3k2i h ALA 175 Cb 0.96 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3k2i h ALA 175 CO 0.07 0.29 0.19 0.66 0.00 0.00 0.00 179.25 180.45 3k2i h SER 176 N 0.51 0.27 -0.64 0.00 4.64 -1.22 -1.74 113.55 115.37 3k2i h SER 176 Ca 0.11 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.38 3k2i h SER 176 Cb 0.45 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 3k2i h SER 176 CO 0.02 0.20 0.09 -0.07 -0.87 0.00 0.00 176.83 176.19 3k2i h LEU 177 N 0.39 1.03 -1.51 5.97 3.38 -1.48 -2.51 115.31 120.58 3k2i h LEU 177 Ca 0.17 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3k2i h LEU 177 Cb 0.09 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3k2i h LEU 177 CO -0.13 1.04 0.34 -0.07 0.09 0.00 0.00 178.44 179.72 3k2i h LEU 178 N 0.99 0.57 -2.10 1.67 3.38 -1.25 -2.30 115.31 116.27 3k2i h LEU 178 Ca 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3k2i h LEU 178 Cb 0.46 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3k2i h LEU 178 CO 0.02 0.41 -0.06 0.00 0.09 0.00 0.00 178.44 178.89 3k2i h ALA 179 N 1.68 1.60 0.00 1.53 0.00 -0.85 -0.94 119.26 122.28 3k2i h ALA 179 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3k2i h ALA 179 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3k2i h ALA 179 CO -0.05 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3k2i n GLY 180 N -1.17 -0.72 0.78 0.00 0.00 -0.86 -2.41 105.19 100.81 3k2i n GLY 180 Ca -0.03 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.00 3k2i n GLY 180 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k2i n HIS 181 N -1.25 0.76 -0.14 1.61 -0.00 -0.36 -4.99 115.22 110.86 3k2i n HIS 181 Ca 0.07 -0.77 0.00 0.00 -0.00 0.00 0.00 57.72 57.03 3k2i n HIS 181 Cb 0.11 -0.22 0.00 0.00 -0.00 0.00 0.00 29.99 29.87 3k2i n HIS 181 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3k2i n GLY 182 N -0.24 0.86 3.71 -1.41 0.00 -1.01 -5.08 105.19 102.01 3k2i n GLY 182 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3k2i n GLY 182 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k2i s PHE 183 N -2.05 3.21 0.15 1.61 0.08 -1.25 -4.16 117.98 115.56 3k2i s PHE 183 Ca 0.00 0.23 -0.29 0.00 0.12 0.00 0.00 56.93 56.99 3k2i s PHE 183 Cb 0.00 -1.79 -0.07 0.00 -0.57 0.00 0.00 43.02 40.59 3k2i s PHE 183 CO 0.00 0.50 0.91 0.00 -0.10 0.00 0.00 175.22 176.53 3k2i s ALA 184 N -0.93 3.31 -0.00 5.36 0.00 0.92 -4.18 121.76 126.23 3k2i s ALA 184 Ca 0.14 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.65 3k2i s ALA 184 Cb -0.11 -3.18 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 3k2i s ALA 184 CO 0.04 0.10 -0.06 0.95 0.00 0.00 0.00 175.76 176.79 3k2i s THR 185 N -0.51 0.44 -0.29 0.00 -4.23 -0.47 -0.91 115.64 109.68 3k2i s THR 185 Ca 0.43 -0.24 -0.02 0.00 -1.18 0.00 0.00 61.69 60.67 3k2i s THR 185 Cb -0.24 -0.38 0.04 0.00 1.34 0.00 0.00 72.50 73.27 3k2i s THR 185 CO 0.29 0.12 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.26 3k2i s LEU 186 N -0.14 3.70 -0.28 4.79 2.96 0.20 -1.08 118.68 128.83 3k2i s LEU 186 Ca 0.02 -1.13 -0.29 0.00 -0.22 0.00 0.00 54.13 52.51 3k2i s LEU 186 Cb -0.02 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 3k2i s LEU 186 CO -0.00 -0.22 1.30 0.00 -1.32 0.00 0.00 176.35 176.11 3k2i s ALA 187 N 1.28 3.40 -0.22 5.97 0.00 0.07 -0.89 121.76 131.38 3k2i s ALA 187 Ca -0.03 0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 3k2i s ALA 187 Cb -0.19 -3.75 -0.00 0.00 0.00 0.00 0.00 23.12 19.17 3k2i s ALA 187 CO -0.02 -1.69 -0.06 -1.17 0.00 0.00 0.00 175.76 172.83 3k2i s LEU 188 N 4.27 2.84 0.20 0.00 2.96 -0.77 -1.03 118.68 127.16 3k2i s LEU 188 Ca 0.56 -0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 53.91 3k2i s LEU 188 Cb -0.18 -1.71 -0.07 0.00 0.50 0.00 0.00 46.19 44.73 3k2i s LEU 188 CO 0.22 -0.02 0.59 0.00 -1.32 0.00 0.00 176.35 175.81 3k2i s ALA 189 N 1.46 3.53 0.00 5.97 0.00 -0.51 -4.65 121.76 127.55 3k2i s ALA 189 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3k2i s ALA 189 Cb -0.14 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.43 3k2i s ALA 189 CO -0.04 0.45 0.00 2.48 0.00 0.00 0.00 175.76 178.64 3k2i n TYR 190 N 0.34 0.00 -3.78 0.00 0.18 -1.26 -4.55 117.16 108.09 3k2i n TYR 190 Ca -0.02 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.67 3k2i n TYR 190 Cb 0.52 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.45 3k2i n TYR 190 CO 0.00 0.00 0.00 1.52 -2.08 0.00 0.00 176.86 176.30 3k2i s TYR 191 N -0.08 -0.14 -1.27 -3.48 1.13 -1.26 -4.58 117.35 107.68 3k2i s TYR 191 Ca 0.00 -0.23 -0.02 0.00 -1.41 0.00 0.00 57.07 55.41 3k2i s TYR 191 Cb 0.00 0.51 0.01 0.00 -1.10 0.00 0.00 41.96 41.38 3k2i s TYR 191 CO 0.00 -1.04 0.94 -1.71 -2.51 0.00 0.00 175.55 171.23 3k2i n ASN 192 N -0.40 -2.52 -3.56 -0.18 2.85 -0.02 -1.56 115.26 109.88 3k2i n ASN 192 Ca -0.08 -0.67 -0.00 0.00 -0.11 0.00 0.00 54.58 53.72 3k2i n ASN 192 Cb 0.61 -4.75 -0.04 0.00 1.24 0.00 0.00 39.78 36.85 3k2i n ASN 192 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 3k2i s PHE 193 N -3.44 -1.33 0.00 1.20 2.19 -1.26 -1.37 117.98 113.97 3k2i s PHE 193 Ca 0.12 2.15 0.00 0.00 0.33 0.00 0.00 56.93 59.53 3k2i s PHE 193 Cb -0.05 0.74 0.00 0.00 -1.31 0.00 0.00 43.02 42.40 3k2i s PHE 193 CO 0.76 -0.67 0.00 0.39 1.83 0.00 0.00 175.22 177.53 3k2i n GLU 194 N 5.41 0.00 0.00 10.12 1.02 -1.26 -1.99 120.64 133.94 3k2i n GLU 194 Ca -0.10 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.19 3k2i n GLU 194 Cb 0.50 0.00 0.83 0.00 -0.02 0.00 0.00 31.44 32.75 3k2i n GLU 194 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3k2i n ASP 195 N 2.37 0.42 -4.69 1.62 3.85 -1.26 -4.89 116.55 113.98 3k2i n ASP 195 Ca 0.00 -1.13 -0.30 0.00 -0.71 0.00 0.00 54.79 52.64 3k2i n ASP 195 Cb 0.00 -0.00 0.15 0.00 -1.35 0.00 0.00 41.12 39.92 3k2i n ASP 195 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3k2i s LEU 196 N -2.00 2.40 0.78 -2.12 1.43 -0.84 -4.94 118.68 113.39 3k2i s LEU 196 Ca 0.45 1.76 -0.16 0.00 -1.03 0.00 0.00 54.13 55.16 3k2i s LEU 196 Cb 0.22 -4.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 3k2i s LEU 196 CO 0.36 -2.84 0.35 -2.65 0.23 0.00 0.00 176.35 171.80 3k2i n PRO 197 N -4.04 0.14 -0.22 1.29 -0.02 -1.26 -4.55 135.00 126.34 3k2i n PRO 197 Ca 0.08 0.08 0.09 0.00 -2.02 0.00 0.00 63.50 61.74 3k2i n PRO 197 Cb 0.54 -1.71 0.26 0.00 -0.02 0.00 0.00 33.50 32.56 3k2i n PRO 197 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3k2i n ASN 198 N -0.01 2.70 -1.23 2.55 3.02 -1.26 -0.84 115.26 120.20 3k2i n ASN 198 Ca 0.08 -1.94 -0.02 0.00 -0.03 0.00 0.00 54.58 52.67 3k2i n ASN 198 Cb 0.51 -0.28 -0.00 0.00 -0.61 0.00 0.00 39.78 39.39 3k2i n ASN 198 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3k2i n ASN 199 N 0.98 -0.20 -2.90 6.41 6.94 -1.26 -4.62 115.26 120.60 3k2i n ASN 199 Ca 0.18 -1.22 -0.18 0.00 -0.02 0.00 0.00 54.58 53.34 3k2i n ASN 199 Cb 0.45 0.35 -0.01 0.00 -2.36 0.00 0.00 39.78 38.21 3k2i n ASN 199 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3k2i n MET 200 N -0.07 1.71 0.08 -3.83 2.81 -1.26 -4.81 117.12 111.75 3k2i n MET 200 Ca -0.00 -3.73 0.13 0.00 -1.81 0.00 0.00 57.70 52.28 3k2i n MET 200 Cb 0.07 -1.73 0.43 0.00 -0.71 0.00 0.00 33.22 31.29 3k2i n MET 200 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3k2i n ASP 201 N -0.00 0.64 -3.64 7.83 8.00 -1.26 -4.82 116.55 123.30 3k2i n ASP 201 Ca 0.23 0.53 -0.05 0.00 0.71 0.00 0.00 54.79 56.21 3k2i n ASP 201 Cb 0.66 -0.68 -0.07 0.00 -0.02 0.00 0.00 41.12 41.02 3k2i n ASP 201 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3k2i s ASN 202 N -4.19 -0.66 -0.48 -2.24 2.47 -1.26 -4.59 114.94 103.99 3k2i s ASN 202 Ca 0.11 1.07 -0.17 0.00 0.42 0.00 0.00 52.86 54.29 3k2i s ASN 202 Cb 0.14 1.25 0.05 0.00 -1.45 0.00 0.00 41.25 41.25 3k2i s ASN 202 CO 0.59 -0.17 0.50 -0.63 -3.72 0.00 0.00 177.10 173.67 3k2i s ILE 203 N 1.33 5.05 -0.31 -5.21 1.01 -1.06 -5.04 121.20 116.97 3k2i s ILE 203 Ca -0.08 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 3k2i s ILE 203 Cb -0.04 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 3k2i s ILE 203 CO -0.16 -0.64 0.18 -0.44 0.00 0.00 0.00 174.94 173.89 3k2i s SER 204 N 2.46 5.78 0.40 3.58 0.01 -1.26 -0.78 113.70 123.89 3k2i s SER 204 Ca 0.11 -0.37 0.28 0.00 1.31 0.00 0.00 55.95 57.27 3k2i s SER 204 Cb -0.20 -2.07 1.10 0.00 0.21 0.00 0.00 66.02 65.06 3k2i s SER 204 CO 0.10 -0.17 1.83 -0.07 0.41 0.00 0.00 173.24 175.35 3k2i h LEU 205 N 8.40 0.00 -1.13 2.44 3.38 -1.70 -3.09 115.31 123.61 3k2i h LEU 205 Ca -0.33 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.66 3k2i h LEU 205 Cb 1.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 3k2i h LEU 205 CO 0.61 0.00 0.59 -0.33 0.09 0.00 0.00 178.44 179.40 3k2i h GLU 206 N 0.00 1.15 -0.71 1.13 3.07 -1.94 -0.59 114.58 116.70 3k2i h GLU 206 Ca 0.00 -0.07 0.08 0.00 -0.50 0.00 0.00 59.36 58.87 3k2i h GLU 206 Cb 0.51 -0.26 -0.07 0.00 -0.84 0.00 0.00 28.75 28.09 3k2i h GLU 206 CO 0.00 0.76 0.37 -0.92 -1.40 0.00 0.00 179.01 177.82 3k2i h TYR 207 N 1.19 0.66 0.00 4.33 3.20 -1.96 -1.64 116.97 122.75 3k2i h TYR 207 Ca 0.33 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 62.06 3k2i h TYR 207 Cb -0.10 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 3k2i h TYR 207 CO -0.00 0.27 -0.81 0.74 -1.64 0.00 0.00 178.16 176.72 3k2i h PHE 208 N 0.64 0.00 -0.64 -3.82 0.04 -1.52 -2.64 116.94 109.00 3k2i h PHE 208 Ca 0.34 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.06 3k2i h PHE 208 Cb 0.31 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 3k2i h PHE 208 CO -0.10 0.81 0.21 1.49 -0.60 0.00 0.00 178.31 180.12 3k2i h GLU 209 N 0.00 0.97 -0.40 1.51 4.81 -0.73 -1.27 114.58 119.46 3k2i h GLU 209 Ca -0.01 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 58.95 3k2i h GLU 209 Cb 1.52 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 3k2i h GLU 209 CO 0.11 0.83 -0.08 0.93 -0.73 0.00 0.00 179.01 180.06 3k2i h GLU 210 N 0.94 0.69 -0.57 1.92 5.08 -0.98 -0.91 114.58 120.77 3k2i h GLU 210 Ca 0.21 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3k2i h GLU 210 Cb 0.26 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3k2i h GLU 210 CO -0.01 0.76 -0.03 0.00 -1.00 0.00 0.00 179.01 178.73 3k2i h ALA 211 N 1.27 0.77 -0.23 3.43 0.00 -1.13 -0.25 119.26 123.11 3k2i h ALA 211 Ca 0.12 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3k2i h ALA 211 Cb 0.52 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3k2i h ALA 211 CO 0.03 0.63 0.08 0.28 0.00 0.00 0.00 179.25 180.26 3k2i h VAL 212 N 0.91 0.93 -0.92 0.00 2.07 -0.92 -2.31 116.25 116.02 3k2i h VAL 212 Ca 0.16 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.62 3k2i h VAL 212 Cb 0.59 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3k2i h VAL 212 CO 0.04 0.03 0.61 0.00 0.02 0.00 0.00 177.57 178.27 3k2i h TYR 214 N 1.24 1.10 -0.02 0.00 5.03 -0.89 -1.86 116.97 121.58 3k2i h TYR 214 Ca 0.34 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.66 3k2i h TYR 214 Cb -0.14 -0.37 0.00 0.00 1.55 0.00 0.00 36.73 37.77 3k2i h TYR 214 CO -0.01 0.66 -0.05 0.52 -1.32 0.00 0.00 178.16 177.96 3k2i h MET 215 N 1.15 0.06 0.00 1.82 2.86 -0.68 -2.90 114.93 117.25 3k2i h MET 215 Ca 0.34 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 3k2i h MET 215 Cb -0.05 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3k2i h MET 215 CO -0.10 0.67 0.00 -0.07 1.06 0.00 0.00 176.91 178.47 3k2i h LEU 216 N -0.53 0.00 -0.91 1.22 3.38 -0.80 -1.99 115.31 115.68 3k2i h LEU 216 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k2i h LEU 216 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3k2i h LEU 216 CO 0.01 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 178.32 3k2i n GLN 217 N -2.83 1.30 -2.70 1.13 6.02 -0.70 -4.91 117.38 114.68 3k2i n GLN 217 Ca 0.00 -0.91 -0.41 0.00 -0.01 0.00 0.00 57.00 55.67 3k2i n GLN 217 Cb 0.23 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.97 3k2i n GLN 217 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3k2i s HIS 218 N -2.32 3.75 0.62 1.08 2.46 -0.75 -4.92 115.29 115.21 3k2i s HIS 218 Ca 0.26 1.75 0.33 0.00 0.47 0.00 0.00 55.06 57.88 3k2i s HIS 218 Cb 0.19 -3.09 1.91 0.00 -0.13 0.00 0.00 32.58 31.47 3k2i s HIS 218 CO 0.46 0.07 2.22 -1.35 -2.47 0.00 0.00 174.74 173.67 3k2i h PRO 219 N 5.88 0.00 -0.46 2.88 0.11 -1.91 -2.00 132.00 136.51 3k2i h PRO 219 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3k2i h PRO 219 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3k2i h PRO 219 CO 0.73 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.56 3k2i n GLN 220 N -3.58 2.56 -3.74 1.05 1.13 -1.26 -4.69 117.38 108.86 3k2i n GLN 220 Ca -0.02 -2.37 -0.37 0.00 -1.94 0.00 0.00 57.00 52.31 3k2i n GLN 220 Cb 0.17 -1.53 -0.11 0.00 0.11 0.00 0.00 30.24 28.88 3k2i n GLN 220 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3k2i s VAL 221 N -1.40 4.75 0.06 5.09 1.01 -0.76 0.03 120.40 129.19 3k2i s VAL 221 Ca 0.41 -0.02 -0.33 0.00 0.00 0.00 0.00 61.98 62.04 3k2i s VAL 221 Cb 0.23 -3.23 -0.19 0.00 0.00 0.00 0.00 36.38 33.20 3k2i s VAL 221 CO 0.32 0.33 1.52 0.50 0.00 0.00 0.00 175.10 177.77 3k2i h LYS 222 N 8.02 -0.94 0.00 2.72 3.64 -0.09 -3.44 116.57 126.47 3k2i h LYS 222 Ca -0.37 0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.11 3k2i h LYS 222 Cb 1.18 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 3k2i h LYS 222 CO 0.59 -0.61 -0.05 0.41 -2.27 0.00 0.00 179.45 177.52 3k2i n GLY 223 N -1.34 -1.95 0.18 5.01 0.00 -1.26 -4.91 105.19 100.92 3k2i n GLY 223 Ca -0.14 -1.37 0.04 0.00 0.00 0.00 0.00 46.02 44.55 3k2i n GLY 223 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k2i h PRO 224 N 0.00 0.00 -5.70 1.61 0.13 -1.97 -3.49 132.00 122.58 3k2i h PRO 224 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 3k2i h PRO 224 Cb 0.12 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.17 3k2i h PRO 224 CO 0.00 0.41 -0.38 0.20 -0.23 0.00 0.00 178.00 178.00 3k2i s GLY 225 N -4.35 2.58 0.25 1.56 0.00 -1.26 -4.92 107.32 101.18 3k2i s GLY 225 Ca -0.01 -1.01 0.09 0.00 0.00 0.00 0.00 44.72 43.79 3k2i s GLY 225 CO 0.70 -2.02 -0.01 -0.26 0.00 0.00 0.00 173.10 171.52 3k2i s ILE 226 N -2.80 3.48 0.22 0.90 -5.25 0.24 -4.73 121.20 113.27 3k2i s ILE 226 Ca 0.25 -1.84 -0.07 0.00 -0.99 0.00 0.00 60.65 58.00 3k2i s ILE 226 Cb -0.01 -2.84 -0.06 0.00 2.95 0.00 0.00 42.46 42.50 3k2i s ILE 226 CO 0.15 -0.33 0.50 -0.83 -1.79 0.00 0.00 174.94 172.64 3k2i s GLY 227 N -3.55 2.20 -0.06 6.27 0.00 0.77 -0.27 107.32 112.67 3k2i s GLY 227 Ca 0.31 -0.40 0.04 0.00 0.00 0.00 0.00 44.72 44.67 3k2i s GLY 227 CO 0.20 -0.29 -0.19 1.08 0.00 0.00 0.00 173.10 173.90 3k2i s LEU 228 N -2.90 1.94 -0.16 0.66 1.43 0.01 -0.92 118.68 118.73 3k2i s LEU 228 Ca 0.45 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 3k2i s LEU 228 Cb -0.11 -1.13 0.04 0.00 0.03 0.00 0.00 46.19 45.02 3k2i s LEU 228 CO 0.24 0.15 -0.04 -0.22 0.23 0.00 0.00 176.35 176.70 3k2i s LEU 229 N 0.19 1.54 0.06 1.79 2.96 -0.44 0.37 118.68 125.14 3k2i s LEU 229 Ca -0.10 -0.66 0.05 0.00 -0.22 0.00 0.00 54.13 53.20 3k2i s LEU 229 Cb -0.14 -0.86 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 3k2i s LEU 229 CO 0.04 -0.20 -0.13 -0.83 -1.32 0.00 0.00 176.35 173.92 3k2i s GLY 230 N 1.67 0.78 -0.09 7.98 0.00 -0.64 -1.14 107.32 115.88 3k2i s GLY 230 Ca 0.01 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.85 3k2i s GLY 230 CO -0.07 -0.91 -0.14 -1.50 0.00 0.00 0.00 173.10 170.47 3k2i s ILE 231 N -1.13 3.00 0.00 0.90 2.07 -0.92 -1.00 121.20 124.11 3k2i s ILE 231 Ca -0.02 -0.71 0.00 0.00 -1.41 0.00 0.00 60.65 58.51 3k2i s ILE 231 Cb -0.09 -2.22 0.00 0.00 0.13 0.00 0.00 42.46 40.28 3k2i s ILE 231 CO 0.02 0.55 0.00 -0.24 -1.91 0.00 0.00 174.94 173.36 3k2i n SER 232 N 3.02 0.00 -0.35 4.50 2.88 -0.53 -1.59 113.62 121.56 3k2i n SER 232 Ca -0.18 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.41 3k2i n SER 232 Cb 0.52 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.20 3k2i n SER 232 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3k2i h LEU 233 N 0.00 0.97 -1.27 2.46 5.85 -1.87 0.36 115.31 121.81 3k2i h LEU 233 Ca 0.00 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.85 3k2i h LEU 233 Cb 0.00 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 3k2i h LEU 233 CO 0.00 0.59 0.56 1.23 -0.34 0.00 0.00 178.44 180.48 3k2i h GLY 234 N 1.08 1.19 1.02 3.75 0.00 -1.26 0.10 103.07 108.96 3k2i h GLY 234 Ca 0.44 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 3k2i h GLY 234 CO -0.19 0.16 0.23 0.00 0.00 0.00 0.00 176.54 176.75 3k2i h ALA 235 N 1.58 0.88 -0.57 3.60 0.00 -0.84 0.81 119.26 124.71 3k2i h ALA 235 Ca 0.41 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3k2i h ALA 235 Cb 0.51 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3k2i h ALA 235 CO -0.17 0.53 0.01 -0.44 0.00 0.00 0.00 179.25 179.18 3k2i h ASP 236 N 0.97 0.95 -0.62 0.00 3.45 -0.26 -1.22 116.42 119.70 3k2i h ASP 236 Ca 0.22 -0.25 -0.04 0.00 0.43 0.00 0.00 57.03 57.38 3k2i h ASP 236 Cb 0.26 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.75 3k2i h ASP 236 CO -0.01 1.00 0.21 0.40 -1.57 0.00 0.00 179.24 179.27 3k2i h ILE 237 N 0.90 1.24 -0.64 0.35 2.04 -0.59 -1.19 117.51 119.63 3k2i h ILE 237 Ca 0.17 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 3k2i h ILE 237 Cb 0.51 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3k2i h ILE 237 CO 0.03 0.31 0.40 0.00 0.00 0.00 0.00 178.15 178.88 3k2i h LEU 239 N 0.87 0.43 -0.19 0.00 3.38 -1.03 -1.20 115.31 117.57 3k2i h LEU 239 Ca 0.23 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 3k2i h LEU 239 Cb -0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3k2i h LEU 239 CO -0.04 0.42 -0.27 0.28 0.09 0.00 0.00 178.44 178.92 3k2i h SER 240 N 0.48 0.57 -0.33 -0.43 0.02 -0.60 -1.90 113.55 111.36 3k2i h SER 240 Ca 0.12 -0.51 0.03 0.00 -0.84 0.00 0.00 61.79 60.59 3k2i h SER 240 Cb 0.15 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 3k2i h SER 240 CO -0.01 0.97 0.12 0.24 -1.14 0.00 0.00 176.83 177.02 3k2i h MET 241 N 0.18 0.26 -0.16 3.45 2.86 -0.87 -1.20 114.93 119.45 3k2i h MET 241 Ca 0.02 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3k2i h MET 241 Cb 0.84 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 3k2i h MET 241 CO 0.06 0.17 0.11 0.00 1.06 0.00 0.00 176.91 178.31 3k2i h ALA 242 N 1.20 1.90 0.00 6.32 0.00 -1.20 0.29 119.26 127.78 3k2i h ALA 242 Ca 0.15 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 3k2i h ALA 242 Cb 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3k2i h ALA 242 CO -0.14 0.09 -0.83 0.77 0.00 0.00 0.00 179.25 179.14 3k2i h SER 243 N 0.20 0.00 0.00 0.00 0.02 -0.44 -3.34 113.55 110.00 3k2i h SER 243 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3k2i h SER 243 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3k2i h SER 243 CO -0.01 0.83 -1.15 0.49 -1.14 0.00 0.00 176.83 175.85 3k2i n PHE 244 N -3.34 0.00 -4.17 3.45 3.72 -0.55 -4.49 117.46 112.08 3k2i n PHE 244 Ca 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 3k2i n PHE 244 Cb 0.86 -0.08 -0.05 0.00 -0.94 0.00 0.00 39.48 39.26 3k2i n PHE 244 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3k2i s LEU 245 N -3.23 3.57 0.43 4.37 1.43 0.05 -5.07 118.68 120.24 3k2i s LEU 245 Ca -0.01 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 3k2i s LEU 245 Cb 0.02 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 3k2i s LEU 245 CO 0.16 -0.05 0.85 -0.54 0.23 0.00 0.00 176.35 177.00 3k2i s LYS 246 N -3.79 3.88 -0.88 1.70 -0.14 -1.26 -4.48 119.74 114.76 3k2i s LYS 246 Ca 0.33 0.69 0.00 0.00 -1.36 0.00 0.00 55.97 55.63 3k2i s LYS 246 Cb -0.07 -2.30 0.00 0.00 -1.68 0.00 0.00 37.83 33.78 3k2i s LYS 246 CO 0.23 -0.10 0.00 0.09 -0.76 0.00 0.00 175.35 174.82 3k2i n ASN 247 N -1.26 -3.54 -4.55 2.83 3.02 -1.26 -4.98 115.26 105.51 3k2i n ASN 247 Ca 0.04 0.07 -0.41 0.00 -0.03 0.00 0.00 54.58 54.25 3k2i n ASN 247 Cb 0.54 -2.53 -0.09 0.00 -0.61 0.00 0.00 39.78 37.09 3k2i n ASN 247 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3k2i s VAL 248 N -2.44 5.11 -0.06 2.41 1.01 -1.26 -0.59 120.40 124.58 3k2i s VAL 248 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3k2i s VAL 248 Cb 0.00 -3.87 -0.26 0.00 0.00 0.00 0.00 36.38 32.26 3k2i s VAL 248 CO 0.00 -0.12 0.62 0.28 0.00 0.00 0.00 175.10 175.88 3k2i h SER 249 N 8.43 0.28 -4.64 3.32 0.02 -0.93 -3.38 113.55 116.65 3k2i h SER 249 Ca -0.29 -0.53 -0.05 0.00 -0.84 0.00 0.00 61.79 60.08 3k2i h SER 249 Cb 1.14 -0.09 -0.20 0.00 0.14 0.00 0.00 62.40 63.39 3k2i h SER 249 CO 0.72 1.47 0.18 0.00 -1.14 0.00 0.00 176.83 178.06 3k2i s ALA 250 N -2.59 -1.78 -0.06 3.77 0.00 -1.23 -3.90 121.76 115.98 3k2i s ALA 250 Ca -0.13 1.56 0.01 0.00 0.00 0.00 0.00 51.96 53.40 3k2i s ALA 250 Cb 0.07 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.80 3k2i s ALA 250 CO 0.81 -0.36 -0.05 0.99 0.00 0.00 0.00 175.76 177.16 3k2i s THR 251 N -0.67 0.62 -0.16 0.00 2.01 -0.57 -0.81 115.64 116.06 3k2i s THR 251 Ca -0.07 -0.14 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 3k2i s THR 251 Cb -0.02 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 3k2i s THR 251 CO 0.07 0.26 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.50 3k2i s VAL 252 N 1.11 3.50 -0.14 3.82 1.01 0.16 -1.32 120.40 128.55 3k2i s VAL 252 Ca -0.08 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3k2i s VAL 252 Cb -0.14 -2.53 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 3k2i s VAL 252 CO -0.01 0.49 -0.18 -0.55 0.00 0.00 0.00 175.10 174.85 3k2i s SER 253 N 0.60 3.47 -0.27 3.32 0.15 -0.25 -1.62 113.70 119.10 3k2i s SER 253 Ca -0.04 -0.50 -0.05 0.00 0.70 0.00 0.00 55.95 56.05 3k2i s SER 253 Cb -0.15 -1.51 0.01 0.00 -1.71 0.00 0.00 66.02 62.66 3k2i s SER 253 CO 0.03 0.11 0.03 -0.63 1.20 0.00 0.00 173.24 173.99 3k2i s ILE 254 N 0.64 3.72 -1.66 6.45 1.01 -0.18 -0.12 121.20 131.06 3k2i s ILE 254 Ca -0.10 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.75 3k2i s ILE 254 Cb -0.16 -2.86 0.13 0.00 0.01 0.00 0.00 42.46 39.58 3k2i s ILE 254 CO 0.02 0.18 0.65 0.59 0.00 0.00 0.00 174.94 176.38 3k2i n ASN 255 N 4.83 -2.32 -4.07 3.58 3.02 0.21 -1.45 115.26 119.06 3k2i n ASN 255 Ca -0.16 -1.05 -0.30 0.00 -0.03 0.00 0.00 54.58 53.04 3k2i n ASN 255 Cb 0.49 -2.61 0.20 0.00 -0.61 0.00 0.00 39.78 37.25 3k2i n ASN 255 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3k2i s GLY 256 N -3.56 1.69 -0.02 7.41 0.00 -1.26 -3.84 107.32 107.74 3k2i s GLY 256 Ca 0.57 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 44.26 3k2i s GLY 256 CO 0.94 -0.26 0.04 -1.14 0.00 0.00 0.00 173.10 172.67 3k2i n SER 257 N -4.13 4.13 -0.27 1.64 3.41 -1.26 -4.67 113.62 112.47 3k2i n SER 257 Ca 0.14 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.72 3k2i n SER 257 Cb 0.59 0.80 -0.01 0.00 -0.26 0.00 0.00 64.21 65.34 3k2i n SER 257 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k2i n GLY 258 N 2.60 0.46 3.26 5.00 0.00 -1.26 -4.74 105.19 110.51 3k2i n GLY 258 Ca -0.04 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 3k2i n GLY 258 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3k2i s ILE 259 N -2.12 0.11 -0.09 -0.61 -4.36 -1.26 -1.82 121.20 111.05 3k2i s ILE 259 Ca 0.00 -1.02 -0.30 0.00 -0.26 0.00 0.00 60.65 59.07 3k2i s ILE 259 Cb 0.00 -1.36 -0.02 0.00 1.25 0.00 0.00 42.46 42.33 3k2i s ILE 259 CO 0.00 -0.50 1.09 -0.55 0.24 0.00 0.00 174.94 175.22 3k2i s SER 260 N -2.86 7.16 0.00 4.36 0.15 -0.52 -4.88 113.70 117.11 3k2i s SER 260 Ca 0.06 1.65 0.00 0.00 0.70 0.00 0.00 55.95 58.36 3k2i s SER 260 Cb 0.04 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3k2i s SER 260 CO -0.10 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.44 3k2i n GLY 261 N 3.21 -0.20 0.10 9.45 0.00 -1.26 -1.50 105.19 114.99 3k2i n GLY 261 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 3k2i n GLY 261 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3k2i h ASN 262 N 0.00 0.00 -4.05 1.61 -0.26 -1.93 -0.58 115.58 110.37 3k2i h ASN 262 Ca 0.00 0.00 -0.35 0.00 -0.56 0.00 0.00 56.30 55.39 3k2i h ASN 262 Cb 0.00 0.00 -0.28 0.00 -1.06 0.00 0.00 38.32 36.98 3k2i h ASN 262 CO 0.00 0.58 -0.76 0.28 -1.06 0.00 0.00 177.43 176.47 3k2i s THR 263 N -2.92 0.55 0.60 2.81 -1.32 -1.26 -4.87 115.64 109.24 3k2i s THR 263 Ca -0.03 -0.39 -0.19 0.00 -1.21 0.00 0.00 61.69 59.87 3k2i s THR 263 Cb 0.09 -0.48 -0.03 0.00 -1.51 0.00 0.00 72.50 70.56 3k2i s THR 263 CO 0.81 0.09 1.25 0.00 -2.21 0.00 0.00 174.62 174.56 3k2i s ALA 264 N -0.30 2.53 -0.24 11.08 0.00 -1.26 -4.61 121.76 128.94 3k2i s ALA 264 Ca 0.01 1.11 -0.05 0.00 0.00 0.00 0.00 51.96 53.04 3k2i s ALA 264 Cb -0.04 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 3k2i s ALA 264 CO -0.00 -1.32 0.01 0.42 0.00 0.00 0.00 175.76 174.87 3k2i s ILE 265 N -1.49 3.69 -0.03 0.00 1.01 -0.86 -2.56 121.20 120.96 3k2i s ILE 265 Ca 0.78 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.99 3k2i s ILE 265 Cb -0.34 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 3k2i s ILE 265 CO 0.37 0.32 -0.16 0.20 0.00 0.00 0.00 174.94 175.67 3k2i s ASN 266 N 1.51 3.93 -0.23 3.58 0.02 0.04 -0.04 114.94 123.74 3k2i s ASN 266 Ca 0.05 -0.26 -0.04 0.00 -1.02 0.00 0.00 52.86 51.59 3k2i s ASN 266 Cb -0.15 -0.77 0.12 0.00 0.02 0.00 0.00 41.25 40.47 3k2i s ASN 266 CO -0.01 0.33 0.39 -0.47 0.02 0.00 0.00 177.10 177.36 3k2i s TYR 267 N -0.77 -0.81 0.00 2.20 5.04 0.48 -1.58 117.35 121.90 3k2i s TYR 267 Ca 0.12 1.03 0.00 0.00 -2.44 0.00 0.00 57.07 55.78 3k2i s TYR 267 Cb -0.11 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.30 3k2i s TYR 267 CO 0.02 -0.65 0.00 1.63 -1.34 0.00 0.00 175.55 175.21 3k2i n LYS 268 N 5.37 0.00 -0.80 4.97 5.02 -1.26 -1.69 118.16 129.78 3k2i n LYS 268 Ca -0.05 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.31 3k2i n LYS 268 Cb 0.50 0.00 0.37 0.00 -0.02 0.00 0.00 35.03 35.88 3k2i n LYS 268 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 3k2i n HIS 269 N 5.86 1.83 -5.06 2.13 1.44 -1.26 -4.89 115.22 115.27 3k2i n HIS 269 Ca 0.00 -0.77 -0.29 0.00 -2.01 0.00 0.00 57.72 54.65 3k2i n HIS 269 Cb 0.00 -0.47 -0.16 0.00 0.12 0.00 0.00 29.99 29.48 3k2i n HIS 269 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 3k2i s SER 270 N -1.07 2.62 -0.03 4.39 0.01 -0.68 -5.13 113.70 113.81 3k2i s SER 270 Ca 0.52 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 57.38 3k2i s SER 270 Cb 0.40 -0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.01 3k2i s SER 270 CO 0.14 0.22 -0.11 -0.44 0.41 0.00 0.00 173.24 173.46 3k2i s SER 271 N -0.17 1.42 -0.29 2.44 0.01 -1.26 -0.39 113.70 115.46 3k2i s SER 271 Ca -0.01 -0.22 -0.10 0.00 1.31 0.00 0.00 55.95 56.92 3k2i s SER 271 Cb -0.12 -0.43 -0.03 0.00 0.21 0.00 0.00 66.02 65.65 3k2i s SER 271 CO 0.02 0.07 0.17 -0.63 0.41 0.00 0.00 173.24 173.28 3k2i s ILE 272 N 0.25 5.02 0.42 1.44 -1.09 0.94 -4.97 121.20 123.22 3k2i s ILE 272 Ca -0.05 -0.05 -0.24 0.00 -2.23 0.00 0.00 60.65 58.08 3k2i s ILE 272 Cb -0.10 -3.44 -0.08 0.00 -1.58 0.00 0.00 42.46 37.25 3k2i s ILE 272 CO 0.01 0.19 1.14 -2.16 -1.23 0.00 0.00 174.94 172.89 3k2i s PRO 273 N 1.71 3.98 0.29 2.79 0.04 -1.26 -2.04 135.00 140.51 3k2i s PRO 273 Ca 0.06 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 3k2i s PRO 273 Cb -0.16 -2.54 -0.10 0.00 0.04 0.00 0.00 34.50 31.74 3k2i s PRO 273 CO 0.09 -0.36 1.26 -1.25 0.04 0.00 0.00 177.00 176.78 3k2i s PRO 274 N -2.49 4.43 0.25 0.56 0.04 -1.26 -4.40 135.00 132.12 3k2i s PRO 274 Ca 0.60 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.78 3k2i s PRO 274 Cb -0.28 -3.12 0.29 0.00 0.04 0.00 0.00 34.50 31.43 3k2i s PRO 274 CO 0.34 -0.11 1.58 1.25 0.04 0.00 0.00 177.00 180.11 3k2i h LEU 275 N 3.90 0.23 0.00 -3.56 5.85 -1.07 -3.48 115.31 117.18 3k2i h LEU 275 Ca -0.48 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.12 3k2i h LEU 275 Cb 1.22 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3k2i h LEU 275 CO 0.68 0.76 0.00 0.61 -0.34 0.00 0.00 178.44 180.16 3k2i n GLY 276 N 0.21 -1.86 3.27 3.75 0.00 -0.24 -4.59 105.19 105.72 3k2i n GLY 276 Ca -0.02 -1.52 -0.16 0.00 0.00 0.00 0.00 46.02 44.32 3k2i n GLY 276 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3k2i s TYR 277 N -2.48 1.42 -0.09 1.61 -0.85 -1.26 -1.54 117.35 114.16 3k2i s TYR 277 Ca 0.00 -1.35 -0.03 0.00 -0.52 0.00 0.00 57.07 55.17 3k2i s TYR 277 Cb 0.00 -0.74 0.04 0.00 0.38 0.00 0.00 41.96 41.65 3k2i s TYR 277 CO 0.00 -0.55 0.10 0.34 -1.52 0.00 0.00 175.55 173.92 3k2i s ASP 278 N -3.27 1.35 0.26 -0.18 -1.08 0.87 -4.88 116.67 109.73 3k2i s ASP 278 Ca 0.38 -0.04 0.22 0.00 -0.52 0.00 0.00 52.55 52.58 3k2i s ASP 278 Cb 0.06 -0.04 0.99 0.00 -1.46 0.00 0.00 42.92 42.47 3k2i s ASP 278 CO 0.15 -0.28 1.66 0.18 0.52 0.00 0.00 175.17 177.40 3k2i n LEU 279 N 5.30 0.58 0.08 -1.34 4.77 -1.26 -2.18 117.00 122.95 3k2i n LEU 279 Ca -0.04 0.68 0.09 0.00 -0.03 0.00 0.00 56.01 56.71 3k2i n LEU 279 Cb 0.50 -0.65 0.41 0.00 -2.33 0.00 0.00 43.42 41.34 3k2i n LEU 279 CO 0.07 -0.67 0.79 0.54 -1.33 0.00 0.00 177.39 176.78 3k2i n ARG 280 N -2.18 0.12 -0.10 3.23 1.74 -1.26 -2.07 116.66 116.13 3k2i n ARG 280 Ca 0.01 0.40 0.10 0.00 -0.77 0.00 0.00 57.85 57.59 3k2i n ARG 280 Cb 0.15 -1.74 0.33 0.00 -1.02 0.00 0.00 32.46 30.18 3k2i n ARG 280 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3k2i n ARG 281 N -1.96 1.79 -1.93 5.56 1.74 -0.93 -4.87 116.66 116.07 3k2i n ARG 281 Ca 0.02 -1.20 -0.41 0.00 -0.77 0.00 0.00 57.85 55.49 3k2i n ARG 281 Cb 0.17 -1.38 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 3k2i n ARG 281 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3k2i s ILE 282 N -1.73 2.32 -0.03 0.55 -4.36 -0.88 -4.44 121.20 112.63 3k2i s ILE 282 Ca 0.31 0.32 -0.02 0.00 -0.26 0.00 0.00 60.65 61.01 3k2i s ILE 282 Cb 0.17 -3.20 -0.04 0.00 1.25 0.00 0.00 42.46 40.64 3k2i s ILE 282 CO 0.25 0.08 0.08 -0.75 0.24 0.00 0.00 174.94 174.84 3k2i s LYS 283 N -1.90 3.12 -0.23 0.37 2.20 -0.89 -4.99 119.74 117.41 3k2i s LYS 283 Ca 0.52 -0.42 -0.06 0.00 -0.36 0.00 0.00 55.97 55.64 3k2i s LYS 283 Cb -0.44 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 32.95 3k2i s LYS 283 CO 0.58 0.67 0.04 0.08 -0.36 0.00 0.00 175.35 176.37 3k2i s VAL 284 N -1.13 4.14 0.96 4.02 1.01 -1.26 -1.05 120.40 127.09 3k2i s VAL 284 Ca 0.21 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 3k2i s VAL 284 Cb -0.12 -2.92 0.16 0.00 0.00 0.00 0.00 36.38 33.51 3k2i s VAL 284 CO 0.11 0.37 1.10 0.00 0.00 0.00 0.00 175.10 176.68 3k2i s ALA 285 N 1.45 1.22 0.27 5.51 0.00 0.41 -4.90 121.76 125.72 3k2i s ALA 285 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3k2i s ALA 285 Cb -0.15 -3.13 0.61 0.00 0.00 0.00 0.00 23.12 20.45 3k2i s ALA 285 CO 0.02 -2.62 1.70 0.74 0.00 0.00 0.00 175.76 175.60 3k2i h PHE 286 N -1.74 0.54 0.00 0.00 0.04 -1.99 -1.56 116.94 112.22 3k2i h PHE 286 Ca -0.53 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.29 3k2i h PHE 286 Cb 1.31 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.35 3k2i h PHE 286 CO 0.34 -0.02 0.00 0.66 -0.60 0.00 0.00 178.31 178.68 3k2i h SER 287 N 0.39 0.00 0.00 2.17 4.64 -2.04 -3.46 113.55 115.25 3k2i h SER 287 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3k2i h SER 287 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3k2i h SER 287 CO -0.50 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.07 3k2i n GLY 288 N -0.55 1.06 3.76 -0.77 0.00 -0.59 -5.07 105.19 103.03 3k2i n GLY 288 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3k2i n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k2i s LEU 289 N 0.00 3.91 -0.03 0.99 1.43 -1.26 -4.70 118.68 119.02 3k2i s LEU 289 Ca 0.00 2.65 -0.08 0.00 -1.03 0.00 0.00 54.13 55.67 3k2i s LEU 289 Cb 0.00 -4.25 -0.05 0.00 0.03 0.00 0.00 46.19 41.93 3k2i s LEU 289 CO 0.00 -1.38 0.25 -0.69 0.23 0.00 0.00 176.35 174.77 3k2i s VAL 290 N -1.36 5.32 -0.24 -1.59 1.01 -0.47 -0.45 120.40 122.63 3k2i s VAL 290 Ca 0.69 0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.89 3k2i s VAL 290 Cb -0.37 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.48 3k2i s VAL 290 CO 0.45 0.45 -0.05 -0.62 0.00 0.00 0.00 175.10 175.33 3k2i s ASP 291 N -1.47 4.30 -0.05 3.32 -1.08 -0.21 -1.65 116.67 119.83 3k2i s ASP 291 Ca 0.24 -0.73 0.20 0.00 -0.52 0.00 0.00 52.55 51.73 3k2i s ASP 291 Cb -0.13 -1.69 0.66 0.00 -1.46 0.00 0.00 42.92 40.30 3k2i s ASP 291 CO 0.13 -0.10 1.57 2.30 0.52 0.00 0.00 175.17 179.59 3k2i n ILE 292 N 4.71 1.41 0.24 4.11 -5.35 -1.25 -2.10 119.36 121.13 3k2i n ILE 292 Ca -0.17 -1.11 0.13 0.00 -0.27 0.00 0.00 62.75 61.33 3k2i n ILE 292 Cb 0.48 0.32 0.63 0.00 -1.74 0.00 0.00 39.64 39.33 3k2i n ILE 292 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 3k2i h VAL 293 N 4.05 0.00 -0.08 7.28 3.04 -1.71 -2.26 116.25 126.58 3k2i h VAL 293 Ca 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 3k2i h VAL 293 Cb 1.20 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 3k2i h VAL 293 CO 0.11 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 176.00 3k2i n ASP 294 N -2.36 1.96 0.29 3.17 2.03 -1.26 -4.40 116.55 115.98 3k2i n ASP 294 Ca -0.01 -1.53 0.17 0.00 0.52 0.00 0.00 54.79 53.95 3k2i n ASP 294 Cb 0.10 -0.05 0.87 0.00 -0.72 0.00 0.00 41.12 41.32 3k2i n ASP 294 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 3k2i h ILE 295 N 1.55 0.20 -4.06 5.18 3.07 -1.62 -3.45 117.51 118.38 3k2i h ILE 295 Ca 0.00 -0.36 -0.45 0.00 1.55 0.00 0.00 64.86 65.59 3k2i h ILE 295 Cb 0.43 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 38.28 3k2i h ILE 295 CO 0.00 0.04 0.36 -0.13 -1.05 0.00 0.00 178.15 177.37 3k2i s ARG 296 N -4.00 4.03 0.66 0.16 0.52 -1.26 -0.09 118.95 118.97 3k2i s ARG 296 Ca -0.02 1.24 -0.14 0.00 -0.52 0.00 0.00 55.73 56.29 3k2i s ARG 296 Cb 0.12 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.44 3k2i s ARG 296 CO 0.52 -0.22 1.09 -0.80 0.02 0.00 0.00 175.30 175.91 3k2i s ASN 297 N -2.07 5.19 0.21 0.23 0.01 -0.59 -4.84 114.94 113.07 3k2i s ASN 297 Ca 0.64 1.90 -0.31 0.00 -0.71 0.00 0.00 52.86 54.39 3k2i s ASN 297 Cb -0.13 -2.54 -0.10 0.00 0.41 0.00 0.00 41.25 38.89 3k2i s ASN 297 CO 0.16 -1.57 1.51 0.00 -1.51 0.00 0.00 177.10 175.69 3k2i s ALA 298 N -2.51 3.71 -1.25 0.60 0.00 -1.26 -4.87 121.76 116.18 3k2i s ALA 298 Ca 0.65 1.36 -0.14 0.00 0.00 0.00 0.00 51.96 53.83 3k2i s ALA 298 Cb -0.18 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.29 3k2i s ALA 298 CO 0.44 -0.78 2.31 -0.11 0.00 0.00 0.00 175.76 177.62 3k2i n LEU 299 N 3.10 6.36 -4.77 0.00 7.94 -1.26 -4.95 117.00 123.41 3k2i n LEU 299 Ca 0.10 -3.71 -0.41 0.00 -1.11 0.00 0.00 56.01 50.89 3k2i n LEU 299 Cb 0.39 -1.42 -0.01 0.00 0.53 0.00 0.00 43.42 42.92 3k2i n LEU 299 CO 0.61 0.91 1.07 -0.69 -1.11 0.00 0.00 177.39 178.18 3k2i s VAL 300 N 3.41 2.31 0.00 1.96 1.01 -1.26 -1.77 120.40 126.06 3k2i s VAL 300 Ca 0.53 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3k2i s VAL 300 Cb 0.14 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3k2i s VAL 300 CO -0.03 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.75 3k2i n GLY 301 N 0.59 2.56 7.00 4.51 0.00 -1.26 -4.08 105.19 114.51 3k2i n GLY 301 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3k2i n GLY 301 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2i n GLY 302 N -2.00 3.58 0.10 -0.02 0.00 -0.73 -2.46 105.19 103.66 3k2i n GLY 302 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.18 3k2i n GLY 302 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3k2i n TYR 303 N 14.00 0.52 0.96 1.61 4.11 -1.26 -1.40 117.16 135.70 3k2i n TYR 303 Ca 0.00 0.23 0.13 0.00 -0.00 0.00 0.00 57.90 58.27 3k2i n TYR 303 Cb 0.00 -0.87 0.50 0.00 -0.00 0.00 0.00 39.34 38.97 3k2i n TYR 303 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3k2i n LYS 304 N -2.00 0.03 -1.69 -3.48 5.02 -1.03 -4.89 118.16 110.12 3k2i n LYS 304 Ca 0.01 0.02 -0.44 0.00 -2.02 0.00 0.00 58.31 55.88 3k2i n LYS 304 Cb 0.13 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3k2i n LYS 304 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3k2i n ASN 305 N -1.57 3.02 0.29 4.39 2.85 -0.49 -4.84 115.26 118.91 3k2i n ASN 305 Ca 0.06 1.13 0.20 0.00 -0.11 0.00 0.00 54.58 55.87 3k2i n ASN 305 Cb 0.35 -1.46 1.05 0.00 1.24 0.00 0.00 39.78 40.96 3k2i n ASN 305 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3k2i h PRO 306 N 4.57 0.00 -0.02 1.20 0.11 -1.90 -0.90 132.00 135.07 3k2i h PRO 306 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3k2i h PRO 306 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3k2i h PRO 306 CO 0.78 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.00 3k2i n SER 307 N -2.89 0.63 -4.73 -2.05 7.64 -1.26 -4.38 113.62 106.58 3k2i n SER 307 Ca -0.02 -1.26 -0.41 0.00 1.01 0.00 0.00 58.87 58.19 3k2i n SER 307 Cb 0.08 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.24 3k2i n SER 307 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3k2i s MET 308 N -1.99 4.45 0.06 1.43 0.00 -0.35 -1.44 119.30 121.46 3k2i s MET 308 Ca 0.42 1.92 -0.31 0.00 0.00 0.00 0.00 55.69 57.72 3k2i s MET 308 Cb 0.21 -3.24 -0.07 0.00 0.00 0.00 0.00 34.83 31.72 3k2i s MET 308 CO 0.34 -0.17 1.46 0.42 0.00 0.00 0.00 175.02 177.07 3k2i s ILE 309 N 0.18 3.40 -1.29 10.11 1.01 -0.76 -4.87 121.20 128.99 3k2i s ILE 309 Ca 0.55 0.89 -0.10 0.00 0.00 0.00 0.00 60.65 61.99 3k2i s ILE 309 Cb -0.33 -3.57 -0.07 0.00 0.01 0.00 0.00 42.46 38.50 3k2i s ILE 309 CO 0.36 0.02 2.50 -0.81 0.00 0.00 0.00 174.94 177.01 3k2i n PRO 310 N 4.94 2.87 0.14 2.79 -0.04 -1.26 -4.71 135.00 139.73 3k2i n PRO 310 Ca 0.13 -1.95 0.10 0.00 -0.04 0.00 0.00 63.50 61.75 3k2i n PRO 310 Cb 0.42 -2.73 0.51 0.00 -0.04 0.00 0.00 33.50 31.66 3k2i n PRO 310 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3k2i n ILE 311 N 4.14 1.05 0.18 0.52 0.13 -1.26 -1.67 119.36 122.44 3k2i n ILE 311 Ca 0.62 0.57 0.11 0.00 -1.10 0.00 0.00 62.75 62.94 3k2i n ILE 311 Cb 0.22 -1.54 0.57 0.00 -0.84 0.00 0.00 39.64 38.05 3k2i n ILE 311 CO 0.00 0.00 0.00 -1.84 2.80 0.00 0.00 176.55 177.51 3k2i n GLU 312 N -2.18 0.14 0.11 9.51 0.00 -1.26 -1.92 120.64 125.04 3k2i n GLU 312 Ca -0.00 0.62 0.13 0.00 0.00 0.00 0.00 57.16 57.91 3k2i n GLU 312 Cb 0.09 -1.94 0.32 0.00 0.00 0.00 0.00 31.44 29.90 3k2i n GLU 312 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3k2i h LYS 313 N 0.00 0.00 -6.77 3.44 1.57 -1.60 -3.46 116.57 109.74 3k2i h LYS 313 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3k2i h LYS 313 Cb 0.03 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.39 3k2i h LYS 313 CO 0.00 0.00 0.68 0.00 -0.57 0.00 0.00 179.45 179.56 3k2i s ALA 314 N -3.13 3.55 0.04 3.86 0.00 -0.81 -4.86 121.76 120.40 3k2i s ALA 314 Ca 0.09 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.32 3k2i s ALA 314 Cb 0.11 -3.50 -0.24 0.00 0.00 0.00 0.00 23.12 19.49 3k2i s ALA 314 CO 0.63 -0.63 0.97 1.96 0.00 0.00 0.00 175.76 178.69 3k2i h GLN 315 N 4.53 0.10 0.00 0.00 1.08 -1.86 -3.48 115.11 115.47 3k2i h GLN 315 Ca -0.47 -0.18 -0.46 0.00 -1.45 0.00 0.00 58.65 56.10 3k2i h GLN 315 Cb 1.22 0.07 0.09 0.00 -0.05 0.00 0.00 27.48 28.80 3k2i h GLN 315 CO 0.73 0.93 0.12 0.41 -0.95 0.00 0.00 178.83 180.07 3k2i n GLY 316 N 1.52 0.58 3.86 3.46 0.00 -1.26 -5.08 105.19 108.28 3k2i n GLY 316 Ca -0.11 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 3k2i n GLY 316 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k2i s PRO 317 N -5.11 3.74 -0.05 1.61 0.05 -1.25 -4.93 135.00 129.05 3k2i s PRO 317 Ca 0.66 0.82 0.03 0.00 0.05 0.00 0.00 61.00 62.55 3k2i s PRO 317 Cb -0.04 -2.11 0.01 0.00 0.05 0.00 0.00 34.50 32.41 3k2i s PRO 317 CO 0.44 -0.44 -0.11 0.42 0.05 0.00 0.00 177.00 177.35 3k2i s ILE 318 N -2.95 1.01 -0.14 0.56 1.01 -1.26 -1.51 121.20 117.92 3k2i s ILE 318 Ca 0.56 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.77 3k2i s ILE 318 Cb -0.11 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 3k2i s ILE 318 CO 0.45 0.32 -0.13 -0.22 0.00 0.00 0.00 174.94 175.36 3k2i s LEU 319 N 0.46 2.69 -0.18 2.97 2.96 -0.43 -2.91 118.68 124.23 3k2i s LEU 319 Ca -0.09 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.44 3k2i s LEU 319 Cb -0.13 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 3k2i s LEU 319 CO 0.02 0.14 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.36 3k2i s LEU 320 N 0.52 2.88 -0.15 -0.68 1.43 0.19 -1.09 118.68 121.78 3k2i s LEU 320 Ca -0.09 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 3k2i s LEU 320 Cb -0.16 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 3k2i s LEU 320 CO 0.04 0.08 -0.03 -0.63 0.23 0.00 0.00 176.35 176.03 3k2i s ILE 321 N 0.90 3.94 -0.05 -0.59 1.01 0.82 -0.63 121.20 126.60 3k2i s ILE 321 Ca -0.02 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.30 3k2i s ILE 321 Cb -0.15 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.62 3k2i s ILE 321 CO 0.01 0.50 -0.07 0.68 0.00 0.00 0.00 174.94 176.06 3k2i s VAL 322 N 0.29 0.72 -0.35 2.92 -7.23 0.37 -0.62 120.40 116.50 3k2i s VAL 322 Ca -0.03 -0.23 -0.29 0.00 -1.81 0.00 0.00 61.98 59.62 3k2i s VAL 322 Cb -0.14 -0.71 0.02 0.00 0.56 0.00 0.00 36.38 36.11 3k2i s VAL 322 CO 0.03 0.26 1.12 -0.83 -0.31 0.00 0.00 175.10 175.37 3k2i s GLY 323 N 0.84 1.47 0.55 2.32 0.00 -1.26 -0.31 107.32 110.93 3k2i s GLY 323 Ca -0.12 -0.13 0.30 0.00 0.00 0.00 0.00 44.72 44.77 3k2i s GLY 323 CO 0.01 2.35 2.11 1.46 0.00 0.00 0.00 173.10 179.03 3k2i h GLN 324 N 8.50 0.00 -0.85 2.90 4.20 -0.87 -2.41 115.11 126.58 3k2i h GLN 324 Ca -0.22 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.16 3k2i h GLN 324 Cb 1.06 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.65 3k2i h GLN 324 CO 1.05 0.08 0.42 -3.47 -0.67 0.00 0.00 178.83 176.25 3k2i n ASP 325 N -3.54 4.47 -4.67 1.46 2.03 0.70 -4.92 116.55 112.08 3k2i n ASP 325 Ca -0.02 -3.37 -0.42 0.00 0.52 0.00 0.00 54.79 51.50 3k2i n ASP 325 Cb 0.21 -0.79 -0.03 0.00 -0.72 0.00 0.00 41.12 39.80 3k2i n ASP 325 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3k2i s ASP 326 N -1.12 6.61 0.00 1.67 3.68 -0.91 -3.96 116.67 122.65 3k2i s ASP 326 Ca 0.56 2.40 0.20 0.00 2.13 0.00 0.00 52.55 57.85 3k2i s ASP 326 Cb 0.46 -2.55 0.19 0.00 -1.45 0.00 0.00 42.92 39.58 3k2i s ASP 326 CO 0.13 -0.92 1.18 1.41 0.13 0.00 0.00 175.17 177.09 3k2i n HIS 327 N 6.49 0.07 0.09 -5.34 8.25 -0.98 -4.28 115.22 119.51 3k2i n HIS 327 Ca 0.17 -0.04 -0.22 0.00 -0.26 0.00 0.00 57.72 57.37 3k2i n HIS 327 Cb 0.42 -0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.40 3k2i n HIS 327 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 3k2i h ASN 328 N 4.01 0.85 -5.58 0.41 -1.24 -1.79 -2.86 115.58 109.38 3k2i h ASN 328 Ca 0.00 -0.78 0.25 0.00 0.71 0.00 0.00 56.30 56.48 3k2i h ASN 328 Cb 0.86 -0.27 -0.08 0.00 0.73 0.00 0.00 38.32 39.56 3k2i h ASN 328 CO 0.00 1.58 0.69 -1.66 -1.29 0.00 0.00 177.43 176.76 3k2i s TRP 329 N -3.00 -0.03 -1.36 0.67 -2.14 -1.26 -4.42 118.94 107.40 3k2i s TRP 329 Ca -0.09 -0.20 -0.10 0.00 2.66 0.00 0.00 56.10 58.37 3k2i s TRP 329 Cb 0.06 0.61 0.11 0.00 -3.10 0.00 0.00 33.47 31.14 3k2i s TRP 329 CO 0.93 -0.57 2.14 0.54 -2.66 0.00 0.00 176.95 177.33 3k2i n ARG 330 N -0.60 3.60 -0.35 3.25 1.74 -1.26 -4.71 116.66 118.32 3k2i n ARG 330 Ca -0.05 -3.17 0.04 0.00 -0.77 0.00 0.00 57.85 53.90 3k2i n ARG 330 Cb 0.61 -2.95 0.19 0.00 -1.02 0.00 0.00 32.46 29.29 3k2i n ARG 330 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3k2i h SER 331 N 5.55 0.94 -0.22 0.55 0.02 -1.86 -1.35 113.55 117.18 3k2i h SER 331 Ca 0.53 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.54 3k2i h SER 331 Cb 0.55 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 3k2i h SER 331 CO 1.68 0.56 0.03 -0.08 -1.14 0.00 0.00 176.83 177.88 3k2i h GLU 332 N 1.05 0.11 0.00 3.45 4.81 -1.86 -0.92 114.58 121.22 3k2i h GLU 332 Ca 0.45 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.55 3k2i h GLU 332 Cb 0.30 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3k2i h GLU 332 CO -0.21 0.07 -0.55 -0.07 -0.73 0.00 0.00 179.01 177.52 3k2i h LEU 333 N 0.11 0.00 -0.55 1.64 -0.00 -1.69 -2.82 115.31 112.01 3k2i h LEU 333 Ca 0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.87 3k2i h LEU 333 Cb 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 3k2i h LEU 333 CO -0.14 0.55 -0.08 1.88 -0.00 0.00 0.00 178.44 180.64 3k2i h TYR 334 N 0.00 1.14 -0.74 1.13 0.05 -1.06 -2.61 116.97 114.88 3k2i h TYR 334 Ca -0.01 -0.23 -0.04 0.00 0.05 0.00 0.00 58.73 58.50 3k2i h TYR 334 Cb 1.01 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.43 3k2i h TYR 334 CO 0.00 1.05 0.29 0.00 -1.05 0.00 0.00 178.16 178.45 3k2i h ALA 335 N 0.93 0.96 -0.81 3.88 0.00 -0.97 0.05 119.26 123.30 3k2i h ALA 335 Ca 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3k2i h ALA 335 Cb 0.65 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3k2i h ALA 335 CO 0.04 0.58 0.41 1.96 0.00 0.00 0.00 179.25 182.24 3k2i h GLN 336 N 1.06 1.14 -0.17 0.00 1.08 -1.45 -0.36 115.11 116.41 3k2i h GLN 336 Ca 0.25 -0.15 -0.05 0.00 -1.45 0.00 0.00 58.65 57.24 3k2i h GLN 336 Cb 0.22 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3k2i h GLN 336 CO -0.02 0.86 -0.09 1.15 -0.95 0.00 0.00 178.83 179.78 3k2i h THR 337 N 1.14 1.32 -0.69 -0.54 2.02 -0.96 0.41 112.91 115.61 3k2i h THR 337 Ca 0.28 -1.16 0.13 0.00 0.77 0.00 0.00 66.41 66.43 3k2i h THR 337 Cb 0.08 1.72 -0.09 0.00 -1.74 0.00 0.00 68.15 68.12 3k2i h THR 337 CO -0.04 0.35 0.25 0.58 0.37 0.00 0.00 175.52 177.02 3k2i h VAL 338 N 0.04 0.67 -0.95 3.16 2.07 -0.92 0.16 116.25 120.47 3k2i h VAL 338 Ca 0.04 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3k2i h VAL 338 Cb 0.58 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3k2i h VAL 338 CO 0.03 0.07 0.60 -1.28 0.02 0.00 0.00 177.57 177.01 3k2i h SER 339 N 0.40 1.12 -0.16 0.57 0.87 -0.56 -1.89 113.55 113.89 3k2i h SER 339 Ca 0.37 -0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.78 3k2i h SER 339 Cb 0.54 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3k2i h SER 339 CO -0.39 0.83 -0.25 -0.33 -0.53 0.00 0.00 176.83 176.17 3k2i h GLU 340 N 1.30 0.62 -0.07 2.24 5.08 0.36 -2.20 114.58 121.90 3k2i h GLU 340 Ca 0.35 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3k2i h GLU 340 Cb -0.11 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 3k2i h GLU 340 CO -0.07 0.81 0.05 -0.09 -1.00 0.00 0.00 179.01 178.71 3k2i h ARG 341 N 0.54 0.09 -0.05 2.33 9.65 -0.27 -1.84 114.38 124.83 3k2i h ARG 341 Ca 0.08 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3k2i h ARG 341 Cb 0.71 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.27 3k2i h ARG 341 CO 0.05 0.06 0.03 -0.07 2.80 0.00 0.00 179.97 182.85 3k2i h LEU 342 N 0.09 0.06 -1.23 3.80 3.38 -1.19 -2.82 115.31 117.40 3k2i h LEU 342 Ca 0.03 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3k2i h LEU 342 Cb -0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3k2i h LEU 342 CO -0.01 0.06 0.13 1.56 0.09 0.00 0.00 178.44 180.28 3k2i h GLN 343 N 0.05 0.67 -0.14 1.13 4.20 -1.36 -0.92 115.11 118.74 3k2i h GLN 343 Ca 0.02 -0.11 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 3k2i h GLN 343 Cb 0.02 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3k2i h GLN 343 CO -0.00 0.59 -0.44 0.00 -0.67 0.00 0.00 178.83 178.31 3k2i h ALA 344 N 1.50 1.00 -0.56 3.87 0.00 -1.19 -2.40 119.26 121.47 3k2i h ALA 344 Ca 0.15 -0.44 -0.21 0.00 0.00 0.00 0.00 54.91 54.42 3k2i h ALA 344 Cb 0.21 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.78 3k2i h ALA 344 CO -0.01 0.63 0.26 0.72 0.00 0.00 0.00 179.25 180.85 3k2i n HIS 345 N -4.00 1.83 -2.02 0.00 8.25 -0.95 -4.92 115.22 113.41 3k2i n HIS 345 Ca -0.02 -1.03 -0.11 0.00 -0.26 0.00 0.00 57.72 56.30 3k2i n HIS 345 Cb 0.51 -0.58 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 3k2i n HIS 345 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k2i n GLY 346 N -0.18 0.19 3.90 -1.41 0.00 -0.90 -5.02 105.19 101.77 3k2i n GLY 346 Ca 0.32 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 3k2i n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k2i s LYS 347 N -4.21 2.72 0.36 1.61 -0.14 -0.39 -5.00 119.74 114.69 3k2i s LYS 347 Ca 0.00 -1.34 -0.27 0.00 -1.36 0.00 0.00 55.97 53.01 3k2i s LYS 347 Cb 0.00 -2.53 -0.09 0.00 -1.68 0.00 0.00 37.83 33.53 3k2i s LYS 347 CO 0.00 -0.07 1.13 -2.00 -0.76 0.00 0.00 175.35 173.65 3k2i s GLU 348 N -4.12 4.28 0.16 1.68 2.56 -1.26 -3.92 118.70 118.07 3k2i s GLU 348 Ca 0.46 1.79 -0.34 0.00 0.00 0.00 0.00 54.97 56.89 3k2i s GLU 348 Cb -0.06 -2.84 -0.15 0.00 2.00 0.00 0.00 34.13 33.08 3k2i s GLU 348 CO 0.29 -0.11 1.39 1.63 -0.56 0.00 0.00 175.26 177.89 3k2i n LYS 349 N 0.44 1.64 -1.62 4.30 5.02 -1.26 -4.73 118.16 121.96 3k2i n LYS 349 Ca 0.02 0.59 -0.32 0.00 -2.02 0.00 0.00 58.31 56.58 3k2i n LYS 349 Cb 0.46 -2.24 0.06 0.00 -0.02 0.00 0.00 35.03 33.28 3k2i n LYS 349 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3k2i s PRO 350 N 0.24 2.72 0.03 1.97 0.04 -1.26 -4.98 135.00 133.75 3k2i s PRO 350 Ca 0.77 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.74 3k2i s PRO 350 Cb -0.78 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 3k2i s PRO 350 CO 0.46 -1.29 1.23 -1.14 0.04 0.00 0.00 177.00 176.30 3k2i s GLN 351 N -4.47 4.39 -0.14 4.56 0.74 -1.15 -4.96 119.66 118.63 3k2i s GLN 351 Ca 0.63 1.78 0.01 0.00 0.05 0.00 0.00 55.36 57.84 3k2i s GLN 351 Cb -0.18 -3.43 -0.00 0.00 1.10 0.00 0.00 33.01 30.50 3k2i s GLN 351 CO 0.47 -0.36 -0.17 0.42 -0.55 0.00 0.00 175.29 175.10 3k2i s ILE 352 N 1.53 2.53 -0.17 -2.34 1.01 -1.26 -0.64 121.20 121.86 3k2i s ILE 352 Ca 0.59 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 3k2i s ILE 352 Cb -0.29 -2.05 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 3k2i s ILE 352 CO 0.27 0.53 -0.12 -0.63 0.00 0.00 0.00 174.94 174.98 3k2i s ILE 353 N 0.72 2.83 -0.18 2.92 1.01 0.20 -4.98 121.20 123.71 3k2i s ILE 353 Ca -0.08 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 3k2i s ILE 353 Cb -0.16 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 3k2i s ILE 353 CO 0.01 0.49 -0.05 0.00 0.00 0.00 0.00 174.94 175.40 3k2i s TYR 355 N 0.93 3.02 0.60 0.00 2.02 0.57 -4.93 117.35 119.56 3k2i s TYR 355 Ca -0.00 -0.57 -0.16 0.00 -0.37 0.00 0.00 57.07 55.97 3k2i s TYR 355 Cb -0.15 -2.11 -0.03 0.00 -0.40 0.00 0.00 41.96 39.28 3k2i s TYR 355 CO 0.01 -0.33 1.07 -1.25 -1.57 0.00 0.00 175.55 173.48 3k2i s PRO 356 N 1.19 3.23 -1.42 -1.71 0.04 -1.26 -0.76 135.00 134.30 3k2i s PRO 356 Ca 0.03 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.34 3k2i s PRO 356 Cb -0.14 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3k2i s PRO 356 CO 0.01 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.57 3k2i n GLY 357 N -0.79 1.34 3.36 0.56 0.00 -1.26 -4.63 105.19 103.76 3k2i n GLY 357 Ca 0.09 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3k2i n GLY 357 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k2i s THR 358 N -2.28 2.64 0.00 2.61 2.01 -1.24 0.12 115.64 119.49 3k2i s THR 358 Ca 0.00 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.15 3k2i s THR 358 Cb 0.00 -2.03 0.00 0.00 0.01 0.00 0.00 72.50 70.48 3k2i s THR 358 CO 0.00 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 3k2i n GLY 359 N 2.95 0.98 0.12 4.40 0.00 -1.25 -0.22 105.19 112.17 3k2i n GLY 359 Ca -0.18 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 3k2i n GLY 359 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3k2i h HIS 360 N -0.00 0.34 -1.94 1.61 2.76 -1.62 -3.39 115.15 112.91 3k2i h HIS 360 Ca 0.00 -0.10 -0.73 0.00 -2.20 0.00 0.00 60.37 57.35 3k2i h HIS 360 Cb 0.00 -0.07 -0.16 0.00 1.55 0.00 0.00 27.41 28.73 3k2i h HIS 360 CO 0.00 0.68 1.49 0.71 -1.30 0.00 0.00 177.93 179.51 3k2i s TYR 361 N -4.35 3.36 -0.79 5.26 2.02 -1.26 -4.83 117.35 116.76 3k2i s TYR 361 Ca -0.14 -2.03 -0.24 0.00 -0.37 0.00 0.00 57.07 54.29 3k2i s TYR 361 Cb 0.05 -4.39 0.06 0.00 -0.40 0.00 0.00 41.96 37.27 3k2i s TYR 361 CO 0.74 -1.47 1.19 0.42 -1.57 0.00 0.00 175.55 174.85 3k2i s ILE 362 N 2.08 4.07 0.72 2.71 1.01 -1.26 -4.98 121.20 125.55 3k2i s ILE 362 Ca 0.44 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 3k2i s ILE 362 Cb -0.02 -4.85 0.16 0.00 0.01 0.00 0.00 42.46 37.76 3k2i s ILE 362 CO 0.01 -1.70 0.98 -0.62 0.00 0.00 0.00 174.94 173.61 3k2i n GLU 363 N 8.42 -0.54 -1.44 2.79 -0.58 -1.26 -5.08 120.64 122.94 3k2i n GLU 363 Ca 0.09 -2.02 -0.30 0.00 -0.42 0.00 0.00 57.16 54.51 3k2i n GLU 363 Cb 0.48 -0.86 0.10 0.00 -0.57 0.00 0.00 31.44 30.60 3k2i n GLU 363 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3k2i s PRO 364 N -5.06 1.92 0.27 3.49 0.02 -1.26 -4.75 135.00 129.63 3k2i s PRO 364 Ca 0.60 0.74 -0.30 0.00 0.02 0.00 0.00 61.00 62.06 3k2i s PRO 364 Cb -0.02 -1.89 -0.14 0.00 0.02 0.00 0.00 34.50 32.47 3k2i s PRO 364 CO 0.41 -1.76 1.23 -2.30 -0.33 0.00 0.00 177.00 174.25 3k2i n PRO 365 N -3.54 1.75 -0.96 5.54 -0.02 -1.26 -2.30 135.00 134.21 3k2i n PRO 365 Ca 0.07 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3k2i n PRO 365 Cb 0.56 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3k2i n PRO 365 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k2i n TYR 366 N 0.97 0.00 -2.16 6.00 4.01 -1.26 -3.94 117.16 120.77 3k2i n TYR 366 Ca 0.10 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.41 3k2i n TYR 366 Cb 0.32 -0.62 -0.02 0.00 -0.31 0.00 0.00 39.34 38.71 3k2i n TYR 366 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3k2i s PHE 367 N -1.98 2.28 0.51 -0.72 0.08 -0.97 -4.25 117.98 112.93 3k2i s PHE 367 Ca 0.00 0.53 -0.22 0.00 0.12 0.00 0.00 56.93 57.36 3k2i s PHE 367 Cb 0.00 -3.81 -0.07 0.00 -0.57 0.00 0.00 43.02 38.57 3k2i s PHE 367 CO 0.00 -2.95 1.19 -2.30 -0.10 0.00 0.00 175.22 171.06 3k2i n PRO 368 N 7.11 1.50 -2.41 0.24 -0.02 -1.26 -4.93 135.00 135.24 3k2i n PRO 368 Ca 0.17 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 3k2i n PRO 368 Cb 0.44 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 3k2i n PRO 368 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3k2i s LEU 369 N -2.26 4.49 -0.41 2.45 2.96 -1.26 -4.80 118.68 119.85 3k2i s LEU 369 Ca 0.69 2.27 -0.07 0.00 -0.22 0.00 0.00 54.13 56.79 3k2i s LEU 369 Cb -0.46 -3.62 0.09 0.00 0.50 0.00 0.00 46.19 42.70 3k2i s LEU 369 CO 0.52 -0.27 0.24 0.00 -1.32 0.00 0.00 176.35 175.52 3k2i h PRO 371 N 8.30 0.00 -1.96 0.00 0.13 -1.94 -3.44 132.00 133.09 3k2i h PRO 371 Ca -0.20 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.90 3k2i h PRO 371 Cb 1.07 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.99 3k2i h PRO 371 CO 0.74 0.06 0.17 0.00 -0.23 0.00 0.00 178.00 178.74 3k2i s ALA 372 N -3.50 -1.80 0.28 -0.56 0.00 -1.26 -0.96 121.76 113.97 3k2i s ALA 372 Ca 0.03 1.96 -0.18 0.00 0.00 0.00 0.00 51.96 53.76 3k2i s ALA 372 Cb 0.08 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 22.11 3k2i s ALA 372 CO 0.61 -0.33 0.66 -1.54 0.00 0.00 0.00 175.76 175.16 3k2i s SER 373 N 0.23 -0.17 0.07 0.00 1.04 -0.95 -4.37 113.70 109.55 3k2i s SER 373 Ca -0.01 -0.76 -0.31 0.00 0.48 0.00 0.00 55.95 55.36 3k2i s SER 373 Cb -0.05 0.71 -0.10 0.00 0.10 0.00 0.00 66.02 66.68 3k2i s SER 373 CO 0.01 -1.33 1.89 -0.11 0.98 0.00 0.00 173.24 174.68 3k2i n LEU 374 N -0.45 4.02 -4.64 2.42 7.94 -1.26 -1.46 117.00 123.57 3k2i n LEU 374 Ca -0.04 0.95 -0.41 0.00 -1.11 0.00 0.00 56.01 55.40 3k2i n LEU 374 Cb 0.60 -1.52 -0.05 0.00 0.53 0.00 0.00 43.42 42.98 3k2i n LEU 374 CO 0.18 0.15 0.56 -2.28 -1.11 0.00 0.00 177.39 174.89 3k2i s HIS 375 N 3.53 3.31 0.18 1.96 5.65 -0.42 -4.91 115.29 124.58 3k2i s HIS 375 Ca 0.86 1.03 -0.11 0.00 0.25 0.00 0.00 55.06 57.09 3k2i s HIS 375 Cb -0.49 -2.97 0.08 0.00 -1.18 0.00 0.00 32.58 28.02 3k2i s HIS 375 CO 0.41 -0.36 1.72 0.07 -0.65 0.00 0.00 174.74 175.92 3k2i h ARG 376 N 7.73 0.94 0.56 2.88 0.11 -1.93 0.27 114.38 124.94 3k2i h ARG 376 Ca -0.25 -0.19 -0.03 0.00 0.10 0.00 0.00 59.98 59.62 3k2i h ARG 376 Cb 1.10 -0.14 0.01 0.00 1.11 0.00 0.00 29.97 32.05 3k2i h ARG 376 CO 0.84 0.82 -0.27 -0.07 0.10 0.00 0.00 179.97 181.39 3k2i h LEU 377 N 0.87 -0.63 -0.88 0.08 3.38 -1.98 -3.31 115.31 112.84 3k2i h LEU 377 Ca 0.20 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3k2i h LEU 377 Cb 0.25 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3k2i h LEU 377 CO -0.01 -0.32 -0.23 0.25 0.09 0.00 0.00 178.44 178.22 3k2i h LEU 378 N -0.96 0.00 2.35 1.67 5.85 -1.96 -3.47 115.31 118.80 3k2i h LEU 378 Ca -0.08 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.29 3k2i h LEU 378 Cb 0.64 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3k2i h LEU 378 CO 0.13 0.23 -0.44 -3.20 -0.34 0.00 0.00 178.44 174.82 3k2i n ASN 379 N -3.32 -5.15 -4.15 1.25 5.15 0.95 -5.03 115.26 104.96 3k2i n ASN 379 Ca 0.01 0.03 -0.14 0.00 -0.60 0.00 0.00 54.58 53.88 3k2i n ASN 379 Cb 0.48 -4.23 -0.11 0.00 -0.53 0.00 0.00 39.78 35.39 3k2i n ASN 379 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3k2i s LYS 380 N -4.74 0.78 -0.11 1.20 1.02 -1.23 -4.96 119.74 111.70 3k2i s LYS 380 Ca 0.00 -1.09 -0.30 0.00 0.02 0.00 0.00 55.97 54.61 3k2i s LYS 380 Cb 0.00 -0.47 -0.02 0.00 -0.52 0.00 0.00 37.83 36.82 3k2i s LYS 380 CO 0.00 0.07 1.21 -1.01 -0.92 0.00 0.00 175.35 174.70 3k2i s HIS 381 N -2.29 3.07 0.14 3.18 3.76 -1.26 -1.30 115.29 120.58 3k2i s HIS 381 Ca 0.03 1.15 0.11 0.00 -0.15 0.00 0.00 55.06 56.20 3k2i s HIS 381 Cb -0.04 -3.44 -0.04 0.00 1.11 0.00 0.00 32.58 30.17 3k2i s HIS 381 CO -0.00 -1.40 -0.26 0.14 -0.85 0.00 0.00 174.74 172.36 3k2i s VAL 382 N 2.78 2.30 0.27 -0.90 -7.23 -0.53 -1.36 120.40 115.73 3k2i s VAL 382 Ca 0.55 -1.78 -0.26 0.00 -1.81 0.00 0.00 61.98 58.68 3k2i s VAL 382 Cb -0.23 -2.03 -0.09 0.00 0.56 0.00 0.00 36.38 34.59 3k2i s VAL 382 CO 0.18 0.07 0.88 0.27 -0.31 0.00 0.00 175.10 176.19 3k2i s ILE 383 N -1.14 4.27 -0.28 -0.62 -4.36 -0.66 -2.23 121.20 116.18 3k2i s ILE 383 Ca 0.15 1.76 0.17 0.00 -0.26 0.00 0.00 60.65 62.47 3k2i s ILE 383 Cb -0.10 -4.06 -0.23 0.00 1.25 0.00 0.00 42.46 39.32 3k2i s ILE 383 CO 0.07 0.27 0.48 0.79 0.24 0.00 0.00 174.94 176.79 3k2i n TRP 384 N 0.90 0.00 0.00 1.37 7.02 -0.13 -4.51 117.44 122.09 3k2i n TRP 384 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 3k2i n TRP 384 Cb 0.49 -0.26 0.00 0.00 -2.42 0.00 0.00 31.31 29.13 3k2i n TRP 384 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3k2i n GLY 385 N 1.49 0.09 0.00 6.99 0.00 -1.26 -2.02 105.19 110.48 3k2i n GLY 385 Ca -0.01 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3k2i n GLY 385 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2i n GLY 386 N 0.23 2.72 3.61 -0.02 0.00 -1.25 -3.94 105.19 106.54 3k2i n GLY 386 Ca 0.00 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 3k2i n GLY 386 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k2i s GLU 387 N -4.61 2.81 0.18 1.61 -6.30 0.12 -4.87 118.70 107.64 3k2i s GLU 387 Ca 0.00 -0.51 -0.13 0.00 -2.50 0.00 0.00 54.97 51.83 3k2i s GLU 387 Cb 0.00 -2.65 0.17 0.00 0.00 0.00 0.00 34.13 31.65 3k2i s GLU 387 CO 0.00 0.68 1.72 -1.35 0.02 0.00 0.00 175.26 176.32 3k2i h PRO 388 N 5.22 0.22 0.17 4.30 0.11 -1.98 0.96 132.00 140.99 3k2i h PRO 388 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3k2i h PRO 388 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3k2i h PRO 388 CO 0.53 0.15 -0.08 -0.09 -0.21 0.00 0.00 178.00 178.29 3k2i h ARG 389 N 0.23 -0.22 -0.78 1.05 2.43 -1.97 -1.27 114.38 113.84 3k2i h ARG 389 Ca 0.24 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 3k2i h ARG 389 Cb 0.31 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 3k2i h ARG 389 CO -0.31 0.15 0.35 0.00 -1.51 0.00 0.00 179.97 178.65 3k2i h ALA 390 N 0.05 1.13 -0.61 2.80 0.00 -1.80 -1.68 119.26 119.14 3k2i h ALA 390 Ca -0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3k2i h ALA 390 Cb 0.48 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3k2i h ALA 390 CO 0.04 0.64 0.16 1.25 0.00 0.00 0.00 179.25 181.34 3k2i h HIS 391 N 1.13 0.98 -0.31 0.00 -0.00 -0.80 -1.99 115.15 114.14 3k2i h HIS 391 Ca 0.27 -0.09 -0.13 0.00 -0.00 0.00 0.00 60.37 60.41 3k2i h HIS 391 Cb 0.16 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.28 3k2i h HIS 391 CO 0.02 0.80 -0.33 0.66 -0.00 0.00 0.00 177.93 179.08 3k2i h SER 392 N 0.91 0.71 0.43 3.26 4.64 -0.32 -0.82 113.55 122.35 3k2i h SER 392 Ca 0.20 -0.29 -0.14 0.00 -0.47 0.00 0.00 61.79 61.09 3k2i h SER 392 Cb 0.30 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3k2i h SER 392 CO -0.00 0.99 -0.60 0.11 -0.87 0.00 0.00 176.83 176.45 3k2i h LYS 393 N 0.58 0.17 -0.49 4.77 1.57 -1.27 -2.21 116.57 119.69 3k2i h LYS 393 Ca 0.06 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3k2i h LYS 393 Cb 0.84 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 3k2i h LYS 393 CO 0.07 0.72 0.23 0.00 -0.57 0.00 0.00 179.45 179.91 3k2i h ALA 394 N 1.25 0.63 -0.59 3.86 0.00 -0.93 -1.45 119.26 122.04 3k2i h ALA 394 Ca -0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3k2i h ALA 394 Cb 1.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3k2i h ALA 394 CO 0.09 0.19 0.00 1.96 0.00 0.00 0.00 179.25 181.49 3k2i h GLN 395 N 0.64 1.03 -0.14 0.00 4.20 -0.94 -0.35 115.11 119.56 3k2i h GLN 395 Ca 0.17 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3k2i h GLN 395 Cb 0.12 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3k2i h GLN 395 CO -0.02 1.02 0.09 0.93 -0.67 0.00 0.00 178.83 180.18 3k2i h GLU 396 N 0.93 0.19 -0.30 1.46 5.08 -1.34 -2.91 114.58 117.69 3k2i h GLU 396 Ca 0.17 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.38 3k2i h GLU 396 Cb 0.55 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3k2i h GLU 396 CO 0.03 0.14 -0.32 0.22 -1.00 0.00 0.00 179.01 178.07 3k2i h ASP 397 N 0.19 0.81 -0.93 1.42 3.58 -1.14 -3.21 116.42 117.14 3k2i h ASP 397 Ca 0.05 -0.48 0.01 0.00 0.42 0.00 0.00 57.03 57.03 3k2i h ASP 397 Cb -0.01 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 40.77 3k2i h ASP 397 CO -0.01 1.12 0.60 0.00 -2.88 0.00 0.00 179.24 178.08 3k2i h ALA 398 N 0.71 1.18 -0.45 -0.78 0.00 -1.08 -0.72 119.26 118.12 3k2i h ALA 398 Ca 0.05 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.97 3k2i h ALA 398 Cb 0.90 -0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 3k2i h ALA 398 CO 0.08 0.60 -0.09 2.35 0.00 0.00 0.00 179.25 182.18 3k2i h TRP 399 N 1.27 -0.20 -0.29 0.00 2.91 -1.51 0.72 115.95 118.84 3k2i h TRP 399 Ca 0.34 0.04 -0.09 0.00 1.13 0.00 0.00 58.89 60.31 3k2i h TRP 399 Cb -0.12 0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 28.67 3k2i h TRP 399 CO -0.00 -0.18 -0.19 0.87 -1.03 0.00 0.00 178.44 177.91 3k2i h LYS 400 N 0.02 0.53 -0.55 2.65 1.57 -1.41 -0.39 116.57 118.98 3k2i h LYS 400 Ca 0.22 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3k2i h LYS 400 Cb 0.33 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3k2i h LYS 400 CO -0.45 0.70 -0.05 1.96 -0.57 0.00 0.00 179.45 181.04 3k2i h GLN 401 N 0.48 1.00 -0.14 3.15 1.08 -0.51 -1.38 115.11 118.79 3k2i h GLN 401 Ca 0.08 -0.33 -0.05 0.00 -1.45 0.00 0.00 58.65 56.90 3k2i h GLN 401 Cb 0.60 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 3k2i h GLN 401 CO 0.04 1.01 -0.09 0.82 -0.95 0.00 0.00 178.83 179.66 3k2i h ILE 402 N 0.90 1.32 -0.27 2.54 2.04 -0.40 -0.95 117.51 122.71 3k2i h ILE 402 Ca 0.15 -1.16 0.04 0.00 1.00 0.00 0.00 64.86 64.89 3k2i h ILE 402 Cb 0.60 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 3k2i h ILE 402 CO 0.04 0.34 0.01 -0.07 0.00 0.00 0.00 178.15 178.47 3k2i h LEU 403 N -0.03 -0.07 -0.54 1.44 3.38 -1.06 -1.35 115.31 117.07 3k2i h LEU 403 Ca 0.03 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3k2i h LEU 403 Cb 0.57 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3k2i h LEU 403 CO 0.02 -0.00 0.35 0.00 0.09 0.00 0.00 178.44 178.90 3k2i h ALA 404 N 1.22 0.69 -0.26 1.53 0.00 -1.21 0.71 119.26 121.94 3k2i h ALA 404 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3k2i h ALA 404 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3k2i h ALA 404 CO -0.20 0.14 0.15 0.35 0.00 0.00 0.00 179.25 179.69 3k2i h PHE 405 N 0.73 0.35 -0.12 0.00 3.57 -0.90 -1.81 116.94 118.77 3k2i h PHE 405 Ca 0.20 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.50 3k2i h PHE 405 Cb -0.07 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3k2i h PHE 405 CO -0.03 0.28 -0.73 0.74 -2.23 0.00 0.00 178.31 176.34 3k2i h PHE 406 N 0.32 0.76 -0.49 0.41 0.04 -0.94 -2.25 116.94 114.79 3k2i h PHE 406 Ca 0.09 -0.33 0.08 0.00 2.80 0.00 0.00 57.97 60.61 3k2i h PHE 406 Cb 0.04 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.01 3k2i h PHE 406 CO -0.04 1.11 0.14 0.00 -0.60 0.00 0.00 178.31 178.92 3k2i h LYS 408 N 0.29 0.64 0.00 0.00 3.64 -1.29 -3.34 116.57 116.51 3k2i h LYS 408 Ca 0.24 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3k2i h LYS 408 Cb 0.29 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3k2i h LYS 408 CO -0.28 0.90 -1.30 0.72 -2.27 0.00 0.00 179.45 177.22 3k2i n HIS 409 N -4.35 0.32 0.61 1.91 8.25 -0.85 -5.12 115.22 115.98 3k2i n HIS 409 Ca -0.04 0.09 0.07 0.00 -0.26 0.00 0.00 57.72 57.59 3k2i n HIS 409 Cb 0.42 -0.54 0.06 0.00 1.12 0.00 0.00 29.99 31.05 3k2i n HIS 409 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26