#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3des s ILE 4 N 0.00 3.44 -0.16 5.15 1.01 -0.34 -0.21 121.20 130.10 3des s ILE 4 Ca 0.00 0.98 0.05 0.00 0.00 0.00 0.00 60.65 61.69 3des s ILE 4 Cb 0.00 -3.63 -0.07 0.00 0.01 0.00 0.00 42.46 38.77 3des s ILE 4 CO 0.00 0.05 0.18 1.33 0.00 0.00 0.00 174.94 176.50 3des n VAL 5 N 4.18 0.00 -3.54 2.92 0.24 0.11 -0.04 118.33 122.19 3des n VAL 5 Ca 0.12 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 62.01 3des n VAL 5 Cb 0.43 0.76 -0.05 0.00 -1.47 0.00 0.00 33.84 33.51 3des n VAL 5 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3des s ASN 6 N -1.92 -0.46 -0.02 -1.34 2.47 -1.06 -4.95 114.94 107.66 3des s ASN 6 Ca 0.00 0.43 0.01 0.00 0.42 0.00 0.00 52.86 53.72 3des s ASN 6 Cb 0.04 0.39 0.01 0.00 -1.45 0.00 0.00 41.25 40.24 3des s ASN 6 CO 0.22 -0.48 -0.04 -0.69 -3.72 0.00 0.00 177.10 172.39 3des s VAL 7 N -1.50 0.39 -0.02 -5.21 1.01 -1.26 -0.13 120.40 113.69 3des s VAL 7 Ca -0.04 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3des s VAL 7 Cb -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 3des s VAL 7 CO 0.02 0.16 -0.13 -0.54 0.00 0.00 0.00 175.10 174.61 3des s LYS 8 N 0.51 1.15 -0.06 2.72 1.02 0.43 -4.87 119.74 120.64 3des s LYS 8 Ca -0.06 -0.47 0.05 0.00 0.02 0.00 0.00 55.97 55.51 3des s LYS 8 Cb -0.09 -1.09 -0.02 0.00 -0.52 0.00 0.00 37.83 36.11 3des s LYS 8 CO -0.00 0.26 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.98 3des s LEU 9 N -0.20 2.39 -0.14 3.17 1.02 -1.26 -1.58 118.68 122.08 3des s LEU 9 Ca 0.03 -0.36 -0.09 0.00 0.02 0.00 0.00 54.13 53.72 3des s LEU 9 Cb -0.06 -1.46 0.05 0.00 0.02 0.00 0.00 46.19 44.73 3des s LEU 9 CO -0.00 0.29 0.35 -0.94 0.02 0.00 0.00 176.35 176.07 3des s SER 10 N -0.39 -0.40 0.24 2.29 1.04 -0.76 -4.97 113.70 110.75 3des s SER 10 Ca 0.04 0.74 -0.30 0.00 0.48 0.00 0.00 55.95 56.91 3des s SER 10 Cb -0.12 0.67 -0.09 0.00 0.10 0.00 0.00 66.02 66.58 3des s SER 10 CO 0.02 -0.16 1.33 -0.22 0.98 0.00 0.00 173.24 175.18 3des s LEU 11 N 0.91 4.42 -0.07 2.42 2.96 -1.26 -0.76 118.68 127.30 3des s LEU 11 Ca -0.06 2.50 -0.02 0.00 -0.22 0.00 0.00 54.13 56.33 3des s LEU 11 Cb -0.07 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 43.04 3des s LEU 11 CO -0.07 -0.54 0.02 -0.54 -1.32 0.00 0.00 176.35 173.90 3des s LYS 12 N -0.52 0.38 -0.07 1.98 -0.14 0.14 -4.91 119.74 116.61 3des s LYS 12 Ca 0.55 0.15 -0.06 0.00 -1.36 0.00 0.00 55.97 55.25 3des s LYS 12 Cb -0.38 -0.94 -0.04 0.00 -1.68 0.00 0.00 37.83 34.79 3des s LYS 12 CO 0.42 -0.35 0.18 1.03 -0.76 0.00 0.00 175.35 175.87 3des s ARG 13 N 2.03 3.48 0.00 1.68 0.52 -1.26 -0.99 118.95 124.41 3des s ARG 13 Ca 0.05 -0.14 0.02 0.00 -0.52 0.00 0.00 55.73 55.13 3des s ARG 13 Cb -0.13 -3.15 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 3des s ARG 13 CO -0.05 0.73 -0.07 0.71 0.02 0.00 0.00 175.30 176.65 3des s TYR 14 N -1.14 0.60 -0.12 -0.53 2.02 -0.15 -4.99 117.35 113.04 3des s TYR 14 Ca 0.20 -0.18 -0.06 0.00 -0.37 0.00 0.00 57.07 56.66 3des s TYR 14 Cb -0.13 -0.38 -0.04 0.00 -0.40 0.00 0.00 41.96 41.02 3des s TYR 14 CO 0.10 -0.02 0.12 -1.21 -1.57 0.00 0.00 175.55 172.96 3des s GLU 15 N -0.41 3.44 0.28 -0.62 0.41 -1.26 0.37 118.70 120.91 3des s GLU 15 Ca 0.00 -0.19 -0.29 0.00 -0.41 0.00 0.00 54.97 54.09 3des s GLU 15 Cb -0.04 -3.15 -0.09 0.00 -1.78 0.00 0.00 34.13 29.07 3des s GLU 15 CO -0.00 0.72 1.04 0.71 -0.49 0.00 0.00 175.26 177.24 3des s TYR 16 N -0.87 3.67 0.33 1.61 2.02 -0.12 -0.34 117.35 123.65 3des s TYR 16 Ca 0.14 1.76 0.06 0.00 -0.37 0.00 0.00 57.07 58.66 3des s TYR 16 Cb -0.12 -3.17 0.73 0.00 -0.40 0.00 0.00 41.96 39.00 3des s TYR 16 CO 0.03 -0.24 1.86 0.93 -1.57 0.00 0.00 175.55 176.56 3des h GLU 17 N 3.76 0.77 -3.19 -0.62 4.39 -1.59 -3.43 114.58 114.68 3des h GLU 17 Ca -0.46 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.10 3des h GLU 17 Cb 1.21 -0.17 -0.17 0.00 -0.10 0.00 0.00 28.75 29.51 3des h GLU 17 CO 0.67 0.51 -0.20 -1.59 -1.16 0.00 0.00 179.01 177.24 3des s LYS 18 N -5.78 0.84 0.10 2.33 -2.85 -1.26 -5.10 119.74 108.02 3des s LYS 18 Ca -0.11 -0.43 -0.36 0.00 -1.00 0.00 0.00 55.97 54.07 3des s LYS 18 Cb 0.22 0.37 -0.17 0.00 -2.06 0.00 0.00 37.83 36.19 3des s LYS 18 CO 0.80 -0.27 1.31 -2.30 0.10 0.00 0.00 175.35 174.98 3des n PRO 19 N 0.60 1.12 -3.48 1.78 -0.02 -1.26 -4.89 135.00 128.85 3des n PRO 19 Ca -0.19 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 3des n PRO 19 Cb 0.59 -2.02 -0.10 0.00 -0.02 0.00 0.00 33.50 31.95 3des n PRO 19 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3des s PHE 20 N 0.37 3.24 -0.22 6.00 5.36 0.54 -4.92 117.98 128.34 3des s PHE 20 Ca 0.83 -0.46 -0.10 0.00 -0.96 0.00 0.00 56.93 56.23 3des s PHE 20 Cb -0.94 -2.55 -0.05 0.00 -0.34 0.00 0.00 43.02 39.13 3des s PHE 20 CO 0.48 -0.51 0.14 -1.01 -1.46 0.00 0.00 175.22 172.86 3des s HIS 21 N 1.69 3.34 0.18 10.12 3.76 -1.26 -1.98 115.29 131.14 3des s HIS 21 Ca 0.05 0.24 0.01 0.00 -0.15 0.00 0.00 55.06 55.21 3des s HIS 21 Cb -0.18 -2.22 -0.04 0.00 1.11 0.00 0.00 32.58 31.24 3des s HIS 21 CO 0.10 0.14 0.05 0.96 -0.85 0.00 0.00 174.74 175.14 3des s ILE 22 N 0.78 0.41 -0.18 0.60 -4.36 -0.48 -1.07 121.20 116.89 3des s ILE 22 Ca 0.07 -1.96 -0.39 0.00 -0.26 0.00 0.00 60.65 58.11 3des s ILE 22 Cb -0.13 -2.23 -0.15 0.00 1.25 0.00 0.00 42.46 41.21 3des s ILE 22 CO 0.02 -0.34 1.70 0.41 0.24 0.00 0.00 174.94 176.97 3des n THR 23 N -0.24 0.29 -1.92 8.37 -1.04 -1.26 -1.51 114.28 116.98 3des n THR 23 Ca -0.04 -0.05 -0.14 0.00 -2.04 0.00 0.00 64.05 61.78 3des n THR 23 Cb 0.64 -1.27 -0.03 0.00 -1.82 0.00 0.00 70.33 67.85 3des n THR 23 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3des n GLY 24 N 3.96 0.45 3.64 3.41 0.00 -1.26 -4.99 105.19 110.40 3des n GLY 24 Ca 0.24 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 3des n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3des s SER 25 N -2.57 -0.36 -0.05 1.61 0.15 -0.57 -5.15 113.70 106.76 3des s SER 25 Ca 0.00 0.64 0.03 0.00 0.70 0.00 0.00 55.95 57.32 3des s SER 25 Cb 0.00 0.84 0.01 0.00 -1.71 0.00 0.00 66.02 65.16 3des s SER 25 CO 0.00 -0.11 -0.13 -0.69 1.20 0.00 0.00 173.24 173.52 3des s VAL 26 N 0.60 1.13 0.01 4.45 1.01 -1.26 -1.39 120.40 124.94 3des s VAL 26 Ca -0.01 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3des s VAL 26 Cb -0.04 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 3des s VAL 26 CO -0.11 0.34 -0.05 -0.44 0.00 0.00 0.00 175.10 174.84 3des s SER 27 N 0.43 0.59 0.00 3.32 0.01 -0.84 -4.95 113.70 112.26 3des s SER 27 Ca -0.10 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 56.97 3des s SER 27 Cb -0.13 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.06 3des s SER 27 CO 0.03 -0.01 0.13 -1.54 0.41 0.00 0.00 173.24 172.25 3des n SER 28 N 2.61 0.25 -3.86 2.44 3.41 -1.26 -0.34 113.62 116.86 3des n SER 28 Ca -0.15 -0.58 -0.14 0.00 -0.26 0.00 0.00 58.87 57.74 3des n SER 28 Cb 0.58 0.49 -0.15 0.00 -0.26 0.00 0.00 64.21 64.87 3des n SER 28 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3des s GLU 29 N -0.49 0.12 -0.22 4.33 2.12 -1.26 -0.95 118.70 122.35 3des s GLU 29 Ca 0.00 0.00 -0.05 0.00 0.36 0.00 0.00 54.97 55.28 3des s GLU 29 Cb 0.00 -0.19 -0.02 0.00 0.26 0.00 0.00 34.13 34.18 3des s GLU 29 CO 0.00 -0.02 0.00 0.45 -0.54 0.00 0.00 175.26 175.15 3des s SER 30 N 0.29 4.67 -0.40 -1.70 0.15 0.16 -4.95 113.70 111.92 3des s SER 30 Ca -0.03 -0.29 -0.10 0.00 0.70 0.00 0.00 55.95 56.23 3des s SER 30 Cb -0.04 -1.81 0.05 0.00 -1.71 0.00 0.00 66.02 62.50 3des s SER 30 CO -0.01 -0.01 0.23 -0.13 1.20 0.00 0.00 173.24 174.53 3des s ARG 31 N 1.42 2.73 0.32 5.44 0.52 -1.26 -0.98 118.95 127.14 3des s ARG 31 Ca 0.05 -1.26 0.08 0.00 -0.52 0.00 0.00 55.73 54.07 3des s ARG 31 Cb -0.15 -3.76 -0.03 0.00 0.52 0.00 0.00 34.95 31.53 3des s ARG 31 CO 0.00 -0.83 0.22 -0.80 0.02 0.00 0.00 175.30 173.92 3des s ASN 32 N 1.84 5.10 -0.23 0.23 0.01 -0.16 -4.49 114.94 117.23 3des s ASN 32 Ca 0.02 -0.56 0.02 0.00 -0.71 0.00 0.00 52.86 51.64 3des s ASN 32 Cb -0.21 -0.95 0.05 0.00 0.41 0.00 0.00 41.25 40.55 3des s ASN 32 CO 0.05 -0.28 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.54 3des s VAL 33 N -2.32 2.04 0.19 1.60 1.01 -0.09 -0.69 120.40 122.14 3des s VAL 33 Ca 0.38 -1.38 -0.26 0.00 0.00 0.00 0.00 61.98 60.73 3des s VAL 33 Cb -0.05 -2.08 -0.08 0.00 0.00 0.00 0.00 36.38 34.16 3des s VAL 33 CO 0.25 0.12 0.81 -0.70 0.00 0.00 0.00 175.10 175.57 3des s GLU 34 N 1.20 4.59 -0.10 2.72 2.12 0.06 -0.79 118.70 128.50 3des s GLU 34 Ca -0.05 1.20 0.03 0.00 0.36 0.00 0.00 54.97 56.51 3des s GLU 34 Cb -0.18 -3.20 -0.00 0.00 0.26 0.00 0.00 34.13 31.00 3des s GLU 34 CO -0.07 0.53 -0.22 0.08 -0.54 0.00 0.00 175.26 175.04 3des s VAL 35 N -1.22 2.30 -0.08 3.70 1.01 -0.01 -1.82 120.40 124.28 3des s VAL 35 Ca 0.38 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3des s VAL 35 Cb -0.23 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.27 3des s VAL 35 CO 0.27 0.55 -0.13 -0.70 0.00 0.00 0.00 175.10 175.09 3des s GLU 36 N 0.28 1.84 -0.05 2.72 2.12 -0.62 -1.10 118.70 123.89 3des s GLU 36 Ca -0.15 -0.44 0.05 0.00 0.36 0.00 0.00 54.97 54.78 3des s GLU 36 Cb -0.17 -1.57 -0.02 0.00 0.26 0.00 0.00 34.13 32.63 3des s GLU 36 CO 0.08 -0.03 -0.19 0.96 -0.54 0.00 0.00 175.26 175.53 3des s ILE 37 N 0.88 2.58 -0.11 -3.70 -4.36 -0.30 -0.43 121.20 115.76 3des s ILE 37 Ca -0.10 -0.89 0.00 0.00 -0.26 0.00 0.00 60.65 59.40 3des s ILE 37 Cb -0.15 -1.98 -0.02 0.00 1.25 0.00 0.00 42.46 41.56 3des s ILE 37 CO 0.01 0.58 -0.12 -0.69 0.24 0.00 0.00 174.94 174.95 3des s VAL 38 N -0.44 3.15 0.30 8.37 1.01 0.81 -1.20 120.40 132.40 3des s VAL 38 Ca 0.05 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3des s VAL 38 Cb -0.12 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3des s VAL 38 CO 0.02 0.54 0.48 -0.76 0.00 0.00 0.00 175.10 175.38 3des s LEU 39 N 0.09 4.12 0.26 3.92 1.02 0.47 0.06 118.68 128.60 3des s LEU 39 Ca -0.05 0.37 -0.02 0.00 0.02 0.00 0.00 54.13 54.45 3des s LEU 39 Cb -0.15 -3.20 0.49 0.00 0.02 0.00 0.00 46.19 43.36 3des s LEU 39 CO 0.04 -0.20 1.76 -0.08 0.02 0.00 0.00 176.35 177.89 3des h GLU 40 N 1.08 0.59 0.00 1.70 4.57 -0.91 0.36 114.58 121.97 3des h GLU 40 Ca -0.50 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 3des h GLU 40 Cb 1.22 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3des h GLU 40 CO 0.62 0.39 0.00 -1.13 -1.18 0.00 0.00 179.01 177.72 3des n SER 41 N -4.88 0.00 0.00 1.04 3.41 -1.26 -4.80 113.62 107.13 3des n SER 41 Ca 0.16 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 3des n SER 41 Cb 0.40 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3des n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3des n GLY 42 N -0.99 0.86 3.77 5.00 0.00 0.13 -5.04 105.19 108.91 3des n GLY 42 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3des n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3des s VAL 43 N -2.37 2.81 -0.07 1.61 1.01 -1.26 -4.73 120.40 117.41 3des s VAL 43 Ca 0.00 0.74 0.03 0.00 0.00 0.00 0.00 61.98 62.76 3des s VAL 43 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3des s VAL 43 CO 0.00 0.12 -0.17 -0.54 0.00 0.00 0.00 175.10 174.51 3des s LYS 44 N -2.10 2.13 0.03 2.72 1.02 -1.26 -0.40 119.74 121.87 3des s LYS 44 Ca 0.54 -0.61 0.04 0.00 0.02 0.00 0.00 55.97 55.96 3des s LYS 44 Cb -0.36 -1.72 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 3des s LYS 44 CO 0.47 0.14 -0.07 0.20 -0.92 0.00 0.00 175.35 175.17 3des s GLY 45 N 0.38 1.77 0.07 -3.33 0.00 -0.34 -4.69 107.32 101.18 3des s GLY 45 Ca -0.13 -1.06 0.07 0.00 0.00 0.00 0.00 44.72 43.60 3des s GLY 45 CO 0.05 -0.95 -0.19 -0.19 0.00 0.00 0.00 173.10 171.81 3des s TYR 46 N -1.05 1.65 0.22 1.90 2.02 -1.26 -1.15 117.35 119.68 3des s TYR 46 Ca 0.18 -0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.36 3des s TYR 46 Cb -0.11 -0.94 -0.00 0.00 -0.40 0.00 0.00 41.96 40.51 3des s TYR 46 CO 0.09 0.13 0.43 0.20 -1.57 0.00 0.00 175.55 174.84 3des s GLY 47 N -1.58 0.48 -0.02 0.71 0.00 -0.26 -3.98 107.32 102.67 3des s GLY 47 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.95 3des s GLY 47 CO 0.03 -0.65 0.00 1.85 0.00 0.00 0.00 173.10 174.33 3des s GLU 48 N -4.00 0.18 -0.21 2.90 2.12 -1.26 -0.83 118.70 117.61 3des s GLU 48 Ca 0.20 0.08 -0.09 0.00 0.36 0.00 0.00 54.97 55.52 3des s GLU 48 Cb 0.00 -0.36 -0.04 0.00 0.26 0.00 0.00 34.13 33.99 3des s GLU 48 CO 0.06 -0.11 0.10 0.00 -0.54 0.00 0.00 175.26 174.77 3des s ALA 49 N 0.83 3.49 -0.72 6.30 0.00 0.03 -4.42 121.76 127.27 3des s ALA 49 Ca -0.08 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.12 3des s ALA 49 Cb -0.11 -2.09 0.17 0.00 0.00 0.00 0.00 23.12 21.09 3des s ALA 49 CO -0.02 0.02 0.52 0.45 0.00 0.00 0.00 175.76 176.73 3des s SER 50 N 0.66 4.92 0.60 0.00 0.15 -1.26 -0.92 113.70 117.86 3des s SER 50 Ca 0.05 -3.86 -0.19 0.00 0.70 0.00 0.00 55.95 52.65 3des s SER 50 Cb -0.13 -1.66 -0.03 0.00 -1.71 0.00 0.00 66.02 62.49 3des s SER 50 CO 0.01 -0.09 1.26 -0.81 1.20 0.00 0.00 173.24 174.82 3des n PRO 51 N 1.97 1.29 -3.92 5.44 -0.04 -1.26 -4.62 135.00 133.87 3des n PRO 51 Ca 0.20 0.49 -0.27 0.00 -0.04 0.00 0.00 63.50 63.88 3des n PRO 51 Cb 0.35 -2.49 -0.17 0.00 -0.04 0.00 0.00 33.50 31.16 3des n PRO 51 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3des s SER 52 N -1.18 2.31 -0.03 3.54 0.15 -1.26 -4.94 113.70 112.28 3des s SER 52 Ca 0.78 -0.36 -0.24 0.00 0.70 0.00 0.00 55.95 56.83 3des s SER 52 Cb -0.40 -0.90 -0.21 0.00 -1.71 0.00 0.00 66.02 62.80 3des s SER 52 CO 0.45 -0.11 1.14 0.15 1.20 0.00 0.00 173.24 176.06 3des h PHE 53 N 8.15 0.25 -0.43 3.44 3.57 -1.84 -0.84 116.94 129.25 3des h PHE 53 Ca -0.31 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.10 3des h PHE 53 Cb 1.13 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 3des h PHE 53 CO 0.47 0.82 0.26 -0.09 -2.23 0.00 0.00 178.31 177.54 3des h ARG 54 N -0.39 0.50 0.04 1.11 2.43 -1.94 -0.61 114.38 115.53 3des h ARG 54 Ca -0.01 -0.03 -0.29 0.00 -0.81 0.00 0.00 59.98 58.84 3des h ARG 54 Cb 0.84 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 3des h ARG 54 CO 0.04 0.33 -1.57 0.28 -1.51 0.00 0.00 179.97 177.54 3des n VAL 55 N -4.84 1.62 0.96 0.20 0.31 -1.25 -4.58 118.33 110.75 3des n VAL 55 Ca 0.02 -0.26 0.10 0.00 -0.01 0.00 0.00 64.34 64.19 3des n VAL 55 Cb 0.06 -1.93 -0.10 0.00 -0.91 0.00 0.00 33.84 30.97 3des n VAL 55 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3des n ASN 56 N -4.09 1.12 0.00 4.52 3.02 -0.42 -4.97 115.26 114.43 3des n ASN 56 Ca -0.33 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 3des n ASN 56 Cb 0.82 0.92 0.00 0.00 -0.61 0.00 0.00 39.78 40.90 3des n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3des n GLY 57 N 1.46 0.49 3.84 7.41 0.00 -0.23 -4.94 105.19 113.22 3des n GLY 57 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3des n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3des s GLU 58 N -0.12 4.01 -0.04 1.61 2.02 -0.83 -4.84 118.70 120.51 3des s GLU 58 Ca 0.00 0.94 0.03 0.00 0.02 0.00 0.00 54.97 55.96 3des s GLU 58 Cb 0.00 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 32.05 3des s GLU 58 CO 0.00 -0.16 -0.13 1.03 0.02 0.00 0.00 175.26 176.02 3des s ARG 59 N -3.76 1.46 0.24 1.61 1.81 -1.26 -2.74 118.95 116.30 3des s ARG 59 Ca 0.59 -0.45 -0.06 0.00 -1.72 0.00 0.00 55.73 54.09 3des s ARG 59 Cb -0.10 -1.27 0.29 0.00 -0.45 0.00 0.00 34.95 33.42 3des s ARG 59 CO 0.26 0.14 1.87 -0.39 -0.68 0.00 0.00 175.30 176.50 3des h VAL 60 N 5.48 1.11 -0.67 3.52 -1.51 -1.93 -1.26 116.25 120.98 3des h VAL 60 Ca -0.33 -0.36 0.03 0.00 -1.23 0.00 0.00 66.70 64.82 3des h VAL 60 Cb 1.18 -0.04 -0.04 0.00 -2.13 0.00 0.00 31.29 30.26 3des h VAL 60 CO 0.48 0.19 0.44 -0.33 -1.23 0.00 0.00 177.57 177.13 3des h GLU 61 N 1.06 0.78 -0.55 5.19 3.07 -1.99 -1.10 114.58 121.04 3des h GLU 61 Ca 0.36 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 59.06 3des h GLU 61 Cb 0.06 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 3des h GLU 61 CO -0.14 0.52 -0.08 0.00 -1.40 0.00 0.00 179.01 177.91 3des h ALA 62 N 1.61 0.75 0.06 3.43 0.00 -1.67 -1.83 119.26 121.61 3des h ALA 62 Ca 0.27 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3des h ALA 62 Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3des h ALA 62 CO -0.07 0.65 -0.03 -0.07 0.00 0.00 0.00 179.25 179.73 3des h LEU 63 N 0.91 -0.07 -1.88 0.00 4.07 -0.64 -2.75 115.31 114.95 3des h LEU 63 Ca 0.15 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.09 3des h LEU 63 Cb 0.65 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 3des h LEU 63 CO 0.04 -0.03 0.08 -0.07 -1.08 0.00 0.00 178.44 177.39 3des h LEU 64 N -0.10 0.14 -1.52 1.67 3.38 -1.17 -2.58 115.31 115.13 3des h LEU 64 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3des h LEU 64 Cb 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3des h LEU 64 CO 0.01 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.65 3des h ALA 65 N 1.92 1.00 -0.49 1.53 0.00 -1.02 -3.11 119.26 119.10 3des h ALA 65 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3des h ALA 65 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3des h ALA 65 CO -0.01 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.68 3des n ILE 66 N -3.00 2.43 -0.16 0.00 -5.35 -0.97 -4.64 119.36 107.68 3des n ILE 66 Ca 0.00 -1.50 -0.02 0.00 -0.27 0.00 0.00 62.75 60.96 3des n ILE 66 Cb 0.28 -0.18 0.05 0.00 -1.74 0.00 0.00 39.64 38.04 3des n ILE 66 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3des h GLU 67 N 3.31 0.06 -0.49 6.28 4.81 -1.67 -1.07 114.58 125.80 3des h GLU 67 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3des h GLU 67 Cb 1.71 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.05 3des h GLU 67 CO 0.36 0.04 0.26 -0.91 -0.73 0.00 0.00 179.01 178.03 3des h ASN 68 N 0.06 0.62 -0.90 1.04 2.35 -1.88 -0.74 115.58 116.14 3des h ASN 68 Ca 0.25 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3des h ASN 68 Cb 0.38 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 3des h ASN 68 CO -0.46 0.54 0.56 0.00 -1.65 0.00 0.00 177.43 176.43 3des h ALA 69 N 1.10 1.29 -0.55 -0.83 0.00 -1.71 -0.20 119.26 118.37 3des h ALA 69 Ca 0.17 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3des h ALA 69 Cb 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3des h ALA 69 CO -0.03 0.62 -0.11 0.28 0.00 0.00 0.00 179.25 180.01 3des h VAL 70 N 1.23 1.27 -0.14 0.00 2.07 -0.84 -1.87 116.25 117.97 3des h VAL 70 Ca 0.33 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.58 3des h VAL 70 Cb -0.08 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3des h VAL 70 CO -0.06 0.45 0.07 -0.09 0.02 0.00 0.00 177.57 177.96 3des h ARG 71 N 0.93 0.15 0.00 1.57 2.43 -0.37 -2.33 114.38 116.75 3des h ARG 71 Ca 0.14 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3des h ARG 71 Cb 0.69 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3des h ARG 71 CO 0.05 0.10 -0.13 0.93 -1.51 0.00 0.00 179.97 179.41 3des h GLU 72 N 0.15 0.00 -0.28 0.20 4.39 -0.88 -1.32 114.58 116.84 3des h GLU 72 Ca 0.06 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 3des h GLU 72 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3des h GLU 72 CO -0.04 0.13 -0.34 0.52 -1.16 0.00 0.00 179.01 178.12 3des h MET 73 N 0.00 0.61 0.00 2.33 2.86 -0.78 -3.37 114.93 116.58 3des h MET 73 Ca -0.00 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3des h MET 73 Cb 0.26 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3des h MET 73 CO 0.02 0.86 0.00 0.44 1.06 0.00 0.00 176.91 179.29 3des n ILE 74 N -4.06 0.00 -2.12 -1.22 -5.35 -1.09 -5.02 119.36 100.51 3des n ILE 74 Ca -0.01 -0.48 -0.40 0.00 -0.27 0.00 0.00 62.75 61.59 3des n ILE 74 Cb 0.48 1.02 -0.01 0.00 -1.74 0.00 0.00 39.64 39.39 3des n ILE 74 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3des s THR 75 N -0.39 2.75 0.00 7.28 -4.23 -0.52 -2.69 115.64 117.85 3des s THR 75 Ca 0.00 0.69 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 3des s THR 75 Cb 0.00 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.43 3des s THR 75 CO 0.00 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 3des n GLY 76 N 0.71 0.84 3.82 3.99 0.00 0.94 -4.98 105.19 110.50 3des n GLY 76 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3des n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3des s ILE 77 N -2.64 5.46 0.18 -0.61 1.01 -1.09 -4.79 121.20 118.72 3des s ILE 77 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.57 3des s ILE 77 Cb 0.00 -3.44 -0.08 0.00 0.01 0.00 0.00 42.46 38.96 3des s ILE 77 CO 0.00 0.54 1.00 -0.62 0.00 0.00 0.00 174.94 175.86 3des s ASP 78 N -0.46 7.47 0.27 3.58 -1.08 -1.26 -1.20 116.67 123.99 3des s ASP 78 Ca 0.12 1.96 0.21 0.00 -0.52 0.00 0.00 52.55 54.32 3des s ASP 78 Cb -0.12 -2.60 1.02 0.00 -1.46 0.00 0.00 42.92 39.76 3des s ASP 78 CO 0.02 -0.04 1.65 1.33 0.52 0.00 0.00 175.17 178.65 3des n VAL 79 N 2.14 0.98 0.33 1.11 0.24 -1.26 -1.40 118.33 120.46 3des n VAL 79 Ca 0.01 0.47 0.15 0.00 -2.04 0.00 0.00 64.34 62.93 3des n VAL 79 Cb 0.47 -1.43 0.53 0.00 -1.47 0.00 0.00 33.84 31.95 3des n VAL 79 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 3des h ARG 80 N 0.00 0.00 -1.42 7.34 0.11 -1.96 -2.18 114.38 116.27 3des h ARG 80 Ca 0.00 0.00 -0.71 0.00 0.10 0.00 0.00 59.98 59.37 3des h ARG 80 Cb 0.18 0.00 -0.29 0.00 1.11 0.00 0.00 29.97 30.97 3des h ARG 80 CO 0.00 0.00 0.87 0.09 0.10 0.00 0.00 179.97 181.03 3des n ASN 81 N -2.79 7.49 0.12 0.08 3.02 -0.50 -4.78 115.26 117.91 3des n ASN 81 Ca 0.02 -3.81 0.18 0.00 -0.03 0.00 0.00 54.58 50.95 3des n ASN 81 Cb 0.33 -0.99 0.76 0.00 -0.61 0.00 0.00 39.78 39.27 3des n ASN 81 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 3des h TYR 82 N 2.43 0.00 0.00 3.10 -0.00 -1.55 -0.81 116.97 120.14 3des h TYR 82 Ca 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.28 3des h TYR 82 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.23 3des h TYR 82 CO 1.30 0.00 -0.14 0.00 -0.00 0.00 0.00 178.16 179.32 3des h ALA 83 N 1.70 1.57 -0.21 0.10 0.00 -1.88 0.82 119.26 121.36 3des h ALA 83 Ca 0.16 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3des h ALA 83 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3des h ALA 83 CO -0.00 0.17 -0.46 0.00 0.00 0.00 0.00 179.25 178.96 3des h ARG 84 N 0.00 0.68 -0.68 0.00 3.08 -1.54 -1.69 114.38 114.23 3des h ARG 84 Ca -0.00 -0.45 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 3des h ARG 84 Cb 0.28 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 3des h ARG 84 CO 0.02 1.07 0.35 0.82 -1.07 0.00 0.00 179.97 181.16 3des h ILE 85 N 0.39 1.22 -0.22 2.04 2.04 -1.34 -1.44 117.51 120.19 3des h ILE 85 Ca 0.00 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.27 3des h ILE 85 Cb 1.07 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3des h ILE 85 CO 0.10 0.25 0.13 -0.26 0.00 0.00 0.00 178.15 178.38 3des h PHE 86 N 0.95 0.24 -0.76 1.37 -1.00 -0.76 -0.18 116.94 116.80 3des h PHE 86 Ca 0.24 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.97 3des h PHE 86 Cb 0.09 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.54 3des h PHE 86 CO 0.00 0.15 0.25 1.49 -1.61 0.00 0.00 178.31 178.59 3des h GLU 87 N 0.27 1.18 -0.29 1.51 4.81 -1.04 -1.16 114.58 119.85 3des h GLU 87 Ca 0.09 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 3des h GLU 87 Cb -0.01 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3des h GLU 87 CO -0.04 0.99 -0.00 0.82 -0.73 0.00 0.00 179.01 180.05 3des h ILE 88 N 1.13 1.26 0.00 2.32 2.04 -1.06 -2.80 117.51 120.40 3des h ILE 88 Ca 0.25 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3des h ILE 88 Cb 0.29 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3des h ILE 88 CO -0.01 0.30 0.00 0.35 0.00 0.00 0.00 178.15 178.79 3des n THR 89 N -4.58 0.82 0.33 -0.27 -2.24 -0.10 -1.89 114.28 106.35 3des n THR 89 Ca -0.03 0.18 0.15 0.00 -2.27 0.00 0.00 64.05 62.08 3des n THR 89 Cb 0.25 -1.01 0.62 0.00 -2.10 0.00 0.00 70.33 68.09 3des n THR 89 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3des h ASP 90 N 0.00 0.00 0.95 3.42 3.32 -0.93 -1.82 116.42 121.36 3des h ASP 90 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3des h ASP 90 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3des h ASP 90 CO 0.00 0.00 0.00 0.03 -1.72 0.00 0.00 179.24 177.55 3des h ARG 91 N 0.00 0.00 -1.71 3.56 3.08 -1.48 -3.12 114.38 114.71 3des h ARG 91 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 3des h ARG 91 Cb 0.41 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.36 3des h ARG 91 CO 0.00 0.00 0.27 1.28 -1.07 0.00 0.00 179.97 180.45 3des n LEU 92 N -2.34 6.12 0.14 3.04 4.77 -0.69 -4.49 117.00 123.56 3des n LEU 92 Ca 0.03 -3.10 0.11 0.00 -0.03 0.00 0.00 56.01 53.02 3des n LEU 92 Cb 0.29 -1.10 0.52 0.00 -2.33 0.00 0.00 43.42 40.79 3des n LEU 92 CO 0.23 1.22 0.84 2.22 -1.33 0.00 0.00 177.39 180.57 3des n PHE 93 N 0.79 0.75 1.16 -1.77 1.16 -1.18 -0.62 117.46 117.75 3des n PHE 93 Ca 0.23 0.34 0.13 0.00 -1.87 0.00 0.00 57.45 56.28 3des n PHE 93 Cb 0.57 -1.04 0.43 0.00 -1.61 0.00 0.00 39.48 37.83 3des n PHE 93 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3des n GLY 94 N -0.59 -1.07 2.33 4.97 0.00 -1.26 -4.01 105.19 105.55 3des n GLY 94 Ca 0.01 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 3des n GLY 94 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3des n PHE 95 N -1.18 0.88 -0.34 1.61 3.72 0.21 -4.74 117.46 117.63 3des n PHE 95 Ca 0.09 -3.82 0.11 0.00 -0.05 0.00 0.00 57.45 53.79 3des n PHE 95 Cb 0.32 -0.43 0.30 0.00 -0.94 0.00 0.00 39.48 38.74 3des n PHE 95 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3des h PRO 96 N 2.99 0.81 -0.05 -1.08 0.13 -1.67 -1.08 132.00 132.05 3des h PRO 96 Ca 0.10 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.07 3des h PRO 96 Cb 0.90 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 3des h PRO 96 CO 0.56 0.54 -0.48 0.66 -0.23 0.00 0.00 178.00 179.04 3des h SER 97 N 0.83 0.13 -0.26 1.44 4.64 -1.81 -1.06 113.55 117.45 3des h SER 97 Ca 0.53 -0.06 -0.19 0.00 -0.47 0.00 0.00 61.79 61.60 3des h SER 97 Cb 0.73 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3des h SER 97 CO -0.30 0.59 -0.55 0.25 -0.87 0.00 0.00 176.83 175.95 3des h LEU 98 N 0.10 0.96 -0.66 5.97 5.85 -1.64 -1.70 115.31 124.18 3des h LEU 98 Ca 0.00 -0.52 0.07 0.00 0.84 0.00 0.00 57.88 58.27 3des h LEU 98 Cb 0.89 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 3des h LEU 98 CO 0.07 1.31 0.35 0.50 -0.34 0.00 0.00 178.44 180.33 3des h LYS 99 N 0.66 0.61 -0.24 1.25 3.64 -0.85 -0.66 116.57 120.97 3des h LYS 99 Ca 0.01 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3des h LYS 99 Cb 1.16 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 3des h LYS 99 CO 0.12 0.40 0.08 0.00 -2.27 0.00 0.00 179.45 177.78 3des h ALA 100 N 1.37 0.32 -0.44 5.00 0.00 -0.95 -1.73 119.26 122.82 3des h ALA 100 Ca 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3des h ALA 100 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3des h ALA 100 CO -0.21 -0.06 0.25 0.00 0.00 0.00 0.00 179.25 179.24 3des h ALA 101 N 0.90 0.56 -0.30 0.00 0.00 -0.83 0.19 119.26 119.79 3des h ALA 101 Ca 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3des h ALA 101 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3des h ALA 101 CO -0.00 0.07 0.07 0.28 0.00 0.00 0.00 179.25 179.67 3des h VAL 102 N 0.58 1.22 -0.75 0.00 2.07 -1.10 0.14 116.25 118.41 3des h VAL 102 Ca 0.16 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 3des h VAL 102 Cb 0.02 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3des h VAL 102 CO -0.03 0.24 0.26 1.56 0.02 0.00 0.00 177.57 179.63 3des h GLN 103 N 0.32 1.14 -0.29 1.57 4.20 -1.14 -1.11 115.11 119.80 3des h GLN 103 Ca 0.09 -0.22 -0.18 0.00 0.06 0.00 0.00 58.65 58.40 3des h GLN 103 Cb 0.29 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3des h GLN 103 CO 0.00 0.95 -0.54 0.35 -0.67 0.00 0.00 178.83 178.92 3des h PHE 104 N 1.10 1.11 -0.83 2.96 3.57 -0.79 -2.53 116.94 121.53 3des h PHE 104 Ca 0.25 -0.39 0.10 0.00 3.53 0.00 0.00 57.97 61.45 3des h PHE 104 Cb 0.26 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 3des h PHE 104 CO 0.02 1.23 0.54 0.00 -2.23 0.00 0.00 178.31 177.87 3des h ALA 105 N 0.68 1.72 0.20 2.41 0.00 -0.37 0.13 119.26 124.04 3des h ALA 105 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3des h ALA 105 Cb 1.15 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3des h ALA 105 CO 0.12 0.11 -0.10 1.15 0.00 0.00 0.00 179.25 180.54 3des h THR 106 N 0.78 0.84 -0.03 0.00 2.02 -0.95 -1.11 112.91 114.46 3des h THR 106 Ca 0.38 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 67.32 3des h THR 106 Cb 0.43 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3des h THR 106 CO -0.15 0.04 -0.25 -0.07 0.37 0.00 0.00 175.52 175.46 3des h LEU 107 N -0.36 0.04 -0.19 2.58 3.38 -0.91 -0.40 115.31 119.45 3des h LEU 107 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3des h LEU 107 Cb 0.28 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3des h LEU 107 CO 0.05 0.30 0.04 -0.78 0.09 0.00 0.00 178.44 178.14 3des h ASP 108 N 0.04 0.29 -0.31 -0.43 3.58 -0.47 0.71 116.42 119.83 3des h ASP 108 Ca 0.01 -0.24 -0.04 0.00 0.42 0.00 0.00 57.03 57.18 3des h ASP 108 Cb 0.47 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 3des h ASP 108 CO 0.03 0.46 0.05 0.00 -2.88 0.00 0.00 179.24 176.90 3des h ALA 109 N 0.85 0.42 -0.27 -0.78 0.00 -0.83 -2.48 119.26 116.16 3des h ALA 109 Ca 0.06 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3des h ALA 109 Cb 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3des h ALA 109 CO 0.00 0.11 0.15 1.25 0.00 0.00 0.00 179.25 180.76 3des h LEU 110 N 0.35 0.23 -1.74 0.00 5.85 -0.98 -1.89 115.31 117.13 3des h LEU 110 Ca 0.10 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3des h LEU 110 Cb 0.34 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3des h LEU 110 CO 0.01 0.17 -0.06 0.77 -0.34 0.00 0.00 178.44 178.99 3des h SER 111 N 0.31 0.08 -0.24 1.25 4.64 -0.79 -1.49 113.55 117.31 3des h SER 111 Ca 0.11 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 3des h SER 111 Cb 0.01 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3des h SER 111 CO -0.06 0.16 -0.15 1.56 -0.87 0.00 0.00 176.83 177.47 3des h GLN 112 N 0.09 0.53 -0.44 4.77 4.20 -0.91 0.23 115.11 123.58 3des h GLN 112 Ca 0.02 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3des h GLN 112 Cb 0.17 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3des h GLN 112 CO 0.01 0.81 0.24 0.93 -0.67 0.00 0.00 178.83 180.14 3des h GLU 113 N 0.24 0.60 -0.00 1.46 5.08 -0.62 -1.44 114.58 119.89 3des h GLU 113 Ca 0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3des h GLU 113 Cb 0.67 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3des h GLU 113 CO 0.04 0.45 -0.12 1.28 -1.00 0.00 0.00 179.01 179.66 3des n LEU 114 N -4.42 0.54 -1.26 1.33 4.77 -0.63 -4.94 117.00 112.39 3des n LEU 114 Ca 0.03 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.89 3des n LEU 114 Cb 0.10 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3des n LEU 114 CO 0.36 0.10 -0.07 0.61 -1.33 0.00 0.00 177.39 177.06 3des n GLY 115 N 1.28 0.04 0.00 -0.72 0.00 -0.54 -5.02 105.19 100.22 3des n GLY 115 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3des n GLY 115 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3des n THR 116 N -3.93 0.00 -4.45 2.61 5.66 -0.02 -5.03 114.28 109.11 3des n THR 116 Ca -0.09 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.67 3des n THR 116 Cb 0.57 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.25 3des n THR 116 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3des s GLN 117 N -0.26 1.62 0.21 1.09 -0.21 -1.26 -4.25 119.66 116.60 3des s GLN 117 Ca 0.00 -1.71 -0.09 0.00 0.02 0.00 0.00 55.36 53.59 3des s GLN 117 Cb 0.00 -1.73 0.24 0.00 1.00 0.00 0.00 33.01 32.52 3des s GLN 117 CO 0.00 0.33 1.82 0.28 -2.12 0.00 0.00 175.29 175.60 3des h VAL 118 N 2.48 1.00 -0.83 1.09 2.07 -1.92 -2.08 116.25 118.06 3des h VAL 118 Ca -0.41 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 66.93 3des h VAL 118 Cb 1.25 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 3des h VAL 118 CO 0.58 0.14 0.54 0.00 0.02 0.00 0.00 177.57 178.84 3des h TYR 120 N 0.83 0.49 0.00 0.00 0.05 -1.73 0.14 116.97 116.75 3des h TYR 120 Ca 0.37 -0.19 -0.03 0.00 0.05 0.00 0.00 58.73 58.93 3des h TYR 120 Cb 0.35 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.01 3des h TYR 120 CO -0.00 0.91 -0.14 1.25 -1.05 0.00 0.00 178.16 179.13 3des h LEU 121 N 0.27 0.00 -1.11 3.88 5.85 -0.68 -1.99 115.31 121.53 3des h LEU 121 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3des h LEU 121 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3des h LEU 121 CO 0.11 0.14 0.00 0.18 -0.34 0.00 0.00 178.44 178.53 3des n LEU 122 N -4.35 1.70 0.00 2.25 4.77 -0.71 -4.90 117.00 115.75 3des n LEU 122 Ca -0.03 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 3des n LEU 122 Cb 0.21 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3des n LEU 122 CO 0.36 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3des n GLY 123 N 1.17 1.42 3.59 -0.72 0.00 -0.75 -4.00 105.19 105.90 3des n GLY 123 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3des n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3des n GLY 124 N 0.00 -0.48 0.32 -0.02 0.00 0.01 -4.86 105.19 100.16 3des n GLY 124 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 3des n GLY 124 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3des h LYS 125 N -1.16 0.98 -5.73 1.61 3.64 -1.06 -3.45 116.57 111.41 3des h LYS 125 Ca -0.47 -0.17 -0.48 0.00 -1.27 0.00 0.00 60.65 58.26 3des h LYS 125 Cb 1.31 -0.16 -0.19 0.00 -0.41 0.00 0.00 32.23 32.78 3des h LYS 125 CO 0.59 0.81 -0.78 1.03 -2.27 0.00 0.00 179.45 178.84 3des s ARG 126 N -5.41 1.12 -0.02 1.90 0.52 0.17 -4.96 118.95 112.27 3des s ARG 126 Ca -0.11 -1.27 0.19 0.00 -0.52 0.00 0.00 55.73 54.03 3des s ARG 126 Cb 0.16 -1.14 -0.29 0.00 0.52 0.00 0.00 34.95 34.20 3des s ARG 126 CO 0.81 0.24 0.47 -0.25 0.02 0.00 0.00 175.30 176.59 3des n ASP 127 N 0.59 0.63 -3.82 0.23 8.00 -1.26 -4.63 116.55 116.28 3des n ASP 127 Ca -0.16 -0.13 -0.12 0.00 0.71 0.00 0.00 54.79 55.09 3des n ASP 127 Cb 0.56 1.76 -0.10 0.00 -0.02 0.00 0.00 41.12 43.32 3des n ASP 127 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3des s GLU 128 N -3.26 0.45 0.10 -1.24 2.12 -1.26 -3.99 118.70 111.61 3des s GLU 128 Ca -0.05 -0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.18 3des s GLU 128 Cb 0.13 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 3des s GLU 128 CO 0.80 -0.10 -0.03 0.96 -0.54 0.00 0.00 175.26 176.35 3des s ILE 129 N -0.85 0.50 -0.05 -3.70 -4.36 -0.75 -4.99 121.20 107.00 3des s ILE 129 Ca -0.09 -1.91 0.06 0.00 -0.26 0.00 0.00 60.65 58.45 3des s ILE 129 Cb -0.05 -1.75 -0.01 0.00 1.25 0.00 0.00 42.46 41.90 3des s ILE 129 CO 0.02 -0.80 -0.23 -0.70 0.24 0.00 0.00 174.94 173.47 3des s GLU 130 N -3.89 2.35 0.06 0.37 2.56 -1.26 -1.10 118.70 117.78 3des s GLU 130 Ca 0.14 -0.83 0.04 0.00 0.00 0.00 0.00 54.97 54.32 3des s GLU 130 Cb 0.06 -2.00 -0.04 0.00 2.00 0.00 0.00 34.13 34.15 3des s GLU 130 CO -0.04 0.35 -0.00 -0.08 -0.56 0.00 0.00 175.26 174.92 3des s THR 131 N -0.12 4.03 0.25 -1.70 -1.32 -0.15 -3.84 115.64 112.79 3des s THR 131 Ca -0.03 -0.87 -0.03 0.00 -1.21 0.00 0.00 61.69 59.54 3des s THR 131 Cb -0.13 -2.88 0.05 0.00 -1.51 0.00 0.00 72.50 68.03 3des s THR 131 CO 0.03 0.21 0.33 -0.90 -2.21 0.00 0.00 174.62 172.08 3des n ASP 132 N 0.85 0.12 -3.85 8.08 5.68 -0.35 -4.71 116.55 122.38 3des n ASP 132 Ca -0.12 -1.18 -0.12 0.00 -0.50 0.00 0.00 54.79 52.87 3des n ASP 132 Cb 0.52 -0.25 -0.11 0.00 -1.14 0.00 0.00 41.12 40.14 3des n ASP 132 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3des s LYS 133 N -3.59 0.31 -0.02 0.11 2.20 -1.09 -4.58 119.74 113.08 3des s LYS 133 Ca 0.20 -0.08 -0.08 0.00 -0.36 0.00 0.00 55.97 55.65 3des s LYS 133 Cb -0.01 0.14 -0.05 0.00 -1.51 0.00 0.00 37.83 36.40 3des s LYS 133 CO 0.14 -0.06 0.27 0.99 -0.36 0.00 0.00 175.35 176.32 3des s THR 134 N -0.60 5.30 -0.35 3.43 2.01 -1.26 -1.47 115.64 122.70 3des s THR 134 Ca -0.07 0.31 -0.07 0.00 0.31 0.00 0.00 61.69 62.17 3des s THR 134 Cb -0.04 -3.55 0.04 0.00 0.01 0.00 0.00 72.50 68.96 3des s THR 134 CO 0.01 0.46 0.12 -0.69 -0.69 0.00 0.00 174.62 173.83 3des s VAL 135 N -1.20 3.81 0.97 3.82 1.01 0.58 -4.96 120.40 124.43 3des s VAL 135 Ca 0.24 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 3des s VAL 135 Cb -0.14 -3.19 0.17 0.00 0.00 0.00 0.00 36.38 33.23 3des s VAL 135 CO 0.13 -0.22 1.11 -0.83 0.00 0.00 0.00 175.10 175.29 3des s GLY 136 N 1.48 1.57 0.19 4.51 0.00 -1.26 -1.52 107.32 112.29 3des s GLY 136 Ca -0.01 -0.45 -0.30 0.00 0.00 0.00 0.00 44.72 43.96 3des s GLY 136 CO 0.03 0.15 1.36 -0.42 0.00 0.00 0.00 173.10 174.21 3des s ILE 137 N -3.11 3.10 0.10 0.90 1.01 -0.23 -4.75 121.20 118.22 3des s ILE 137 Ca 0.65 0.88 -0.08 0.00 0.00 0.00 0.00 60.65 62.10 3des s ILE 137 Cb -0.17 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.77 3des s ILE 137 CO 0.56 0.12 0.40 -0.67 0.00 0.00 0.00 174.94 175.34 3des n ASP 138 N 2.86 -0.77 -4.71 3.58 -0.08 -1.26 -4.54 116.55 111.64 3des n ASP 138 Ca 0.07 -1.44 -0.31 0.00 -1.51 0.00 0.00 54.79 51.60 3des n ASP 138 Cb 0.42 1.26 0.13 0.00 2.34 0.00 0.00 41.12 45.27 3des n ASP 138 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3des s THR 139 N -2.43 2.49 0.19 5.18 -4.23 -1.26 -4.72 115.64 110.86 3des s THR 139 Ca 0.09 0.17 -0.12 0.00 -1.18 0.00 0.00 61.69 60.64 3des s THR 139 Cb -0.01 -2.39 0.11 0.00 1.34 0.00 0.00 72.50 71.55 3des s THR 139 CO 0.03 -0.20 1.72 0.58 -0.54 0.00 0.00 174.62 176.21 3des h VAL 140 N -1.46 0.73 -0.41 2.29 2.07 -1.99 -0.12 116.25 117.37 3des h VAL 140 Ca -0.44 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.05 3des h VAL 140 Cb 1.26 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 3des h VAL 140 CO 0.45 0.05 0.09 -0.08 0.02 0.00 0.00 177.57 178.10 3des h GLU 141 N 0.26 0.22 -0.04 1.57 4.81 -2.00 -0.06 114.58 119.34 3des h GLU 141 Ca 0.26 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.34 3des h GLU 141 Cb 0.34 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3des h GLU 141 CO -0.32 0.15 -0.58 -0.91 -0.73 0.00 0.00 179.01 176.62 3des h ASN 142 N 0.23 0.14 -0.18 1.04 2.35 -1.75 -2.20 115.58 115.21 3des h ASN 142 Ca 0.19 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3des h ASN 142 Cb 0.23 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3des h ASN 142 CO -0.25 0.69 0.00 0.03 -1.65 0.00 0.00 177.43 176.26 3des h ARG 143 N 0.10 0.32 -0.55 0.81 3.08 -0.46 -1.02 114.38 116.65 3des h ARG 143 Ca -0.00 -0.10 0.04 0.00 0.07 0.00 0.00 59.98 59.99 3des h ARG 143 Cb 1.05 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.02 3des h ARG 143 CO 0.08 0.53 0.30 0.28 -1.07 0.00 0.00 179.97 180.08 3des h VAL 144 N 0.07 0.98 0.09 2.04 2.07 -0.98 0.20 116.25 120.72 3des h VAL 144 Ca 0.05 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.39 3des h VAL 144 Cb 0.38 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3des h VAL 144 CO 0.01 0.10 -0.23 0.50 0.02 0.00 0.00 177.57 177.97 3des h LYS 145 N 0.57 -0.40 -0.57 1.57 1.63 -1.19 -1.10 116.57 117.09 3des h LYS 145 Ca 0.24 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.03 3des h LYS 145 Cb 0.13 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 3des h LYS 145 CO -0.15 -0.27 0.22 1.49 -3.45 0.00 0.00 179.45 177.29 3des h GLU 146 N -0.41 0.83 -0.15 1.90 4.81 -0.78 -2.30 114.58 118.49 3des h GLU 146 Ca 0.04 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3des h GLU 146 Cb 0.45 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3des h GLU 146 CO -0.15 0.69 0.07 0.00 -0.73 0.00 0.00 179.01 178.89 3des h ALA 147 N 1.42 0.20 -0.48 2.92 0.00 -0.55 -0.57 119.26 122.19 3des h ALA 147 Ca 0.19 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3des h ALA 147 Cb 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3des h ALA 147 CO -0.02 -0.23 0.23 0.87 0.00 0.00 0.00 179.25 180.10 3des h LYS 148 N 0.11 0.45 -0.12 0.00 1.57 -1.00 0.93 116.57 118.50 3des h LYS 148 Ca 0.05 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3des h LYS 148 Cb 0.14 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 3des h LYS 148 CO -0.01 0.30 -0.20 -0.22 -0.57 0.00 0.00 179.45 178.75 3des h LYS 149 N 0.46 -0.25 -1.00 3.15 3.64 -1.15 0.20 116.57 121.61 3des h LYS 149 Ca 0.21 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.63 3des h LYS 149 Cb 0.14 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 3des h LYS 149 CO -0.16 -0.17 0.66 0.82 -2.27 0.00 0.00 179.45 178.33 3des h ILE 150 N -0.26 1.23 -0.61 2.00 2.04 -0.48 -1.22 117.51 120.21 3des h ILE 150 Ca 0.09 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 3des h ILE 150 Cb 0.40 -0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 3des h ILE 150 CO -0.27 0.24 0.15 0.15 0.00 0.00 0.00 178.15 178.42 3des h PHE 151 N 1.32 1.03 0.00 1.37 3.57 0.09 -2.42 116.94 121.90 3des h PHE 151 Ca 0.38 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 3des h PHE 151 Cb -0.10 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.35 3des h PHE 151 CO -0.00 0.87 -0.14 1.49 -2.23 0.00 0.00 178.31 178.29 3des h GLU 152 N 0.90 0.00 0.00 1.11 4.81 -0.04 -2.34 114.58 119.02 3des h GLU 152 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3des h GLU 152 Cb 0.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3des h GLU 152 CO 0.00 0.14 0.00 0.39 -0.73 0.00 0.00 179.01 178.81 3des n GLU 153 N -3.33 0.58 0.00 1.92 1.02 -0.52 -4.88 120.64 115.43 3des n GLU 153 Ca -0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3des n GLU 153 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3des n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3des n GLY 154 N 1.04 1.10 3.74 0.62 0.00 -0.88 -4.75 105.19 106.06 3des n GLY 154 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3des n GLY 154 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3des s PHE 155 N -2.10 3.20 -0.64 1.61 0.08 -1.10 -4.77 117.98 114.26 3des s PHE 155 Ca 0.00 1.13 0.06 0.00 0.12 0.00 0.00 56.93 58.24 3des s PHE 155 Cb 0.00 -3.67 0.12 0.00 -0.57 0.00 0.00 43.02 38.90 3des s PHE 155 CO 0.00 -2.15 0.95 0.54 -0.10 0.00 0.00 175.22 174.47 3des n ARG 156 N 2.75 1.61 -3.80 0.44 5.12 -1.26 -4.41 116.66 117.11 3des n ARG 156 Ca 0.07 -1.41 -0.27 0.00 -1.93 0.00 0.00 57.85 54.31 3des n ARG 156 Cb 0.42 -1.14 -0.17 0.00 -1.16 0.00 0.00 32.46 30.42 3des n ARG 156 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3des s VAL 157 N -0.80 0.74 -0.19 1.55 1.01 -1.26 -0.47 120.40 120.98 3des s VAL 157 Ca 0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 3des s VAL 157 Cb 0.06 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 3des s VAL 157 CO 0.08 -0.02 -0.06 -0.63 0.00 0.00 0.00 175.10 174.48 3des s ILE 158 N 1.78 3.38 -0.20 2.22 1.01 -0.46 -2.66 121.20 126.27 3des s ILE 158 Ca 0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 60.65 59.98 3des s ILE 158 Cb -0.16 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 3des s ILE 158 CO -0.07 0.45 0.43 -0.75 0.00 0.00 0.00 174.94 175.00 3des s LYS 159 N 1.08 4.17 -0.20 2.79 2.20 -0.54 -1.39 119.74 127.85 3des s LYS 159 Ca 0.01 0.25 -0.03 0.00 -0.36 0.00 0.00 55.97 55.84 3des s LYS 159 Cb -0.15 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.61 3des s LYS 159 CO -0.01 -0.08 -0.06 0.42 -0.36 0.00 0.00 175.35 175.26 3des s ILE 160 N 1.44 3.34 0.08 5.43 1.01 0.27 -0.31 121.20 132.46 3des s ILE 160 Ca 0.20 -0.52 -0.26 0.00 0.00 0.00 0.00 60.65 60.07 3des s ILE 160 Cb -0.15 -2.49 -0.06 0.00 0.01 0.00 0.00 42.46 39.77 3des s ILE 160 CO 0.08 0.45 0.81 -0.54 0.00 0.00 0.00 174.94 175.75 3des s LYS 161 N 1.16 4.56 0.08 2.79 -0.14 -0.58 -1.03 119.74 126.58 3des s LYS 161 Ca 0.02 1.17 0.01 0.00 -1.36 0.00 0.00 55.97 55.81 3des s LYS 161 Cb -0.14 -3.35 -0.00 0.00 -1.68 0.00 0.00 37.83 32.65 3des s LYS 161 CO -0.01 0.31 0.08 1.33 -0.76 0.00 0.00 175.35 176.30 3des n VAL 162 N 2.63 0.00 0.00 3.17 0.24 -0.39 -4.48 118.33 119.50 3des n VAL 162 Ca -0.02 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 3des n VAL 162 Cb 0.50 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 3des n VAL 162 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3des n GLY 163 N -0.14 1.62 0.01 7.63 0.00 -1.26 -4.12 105.19 108.93 3des n GLY 163 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 3des n GLY 163 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3des n GLU 164 N 0.00 0.50 -3.33 1.61 1.02 -1.26 -4.30 120.64 114.87 3des n GLU 164 Ca 0.00 -0.10 -0.13 0.00 -0.02 0.00 0.00 57.16 56.91 3des n GLU 164 Cb 0.00 -1.27 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 3des n GLU 164 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3des s ASN 165 N -3.28 0.62 0.19 1.62 3.84 -1.26 -5.04 114.94 111.63 3des s ASN 165 Ca -0.04 -1.32 -0.20 0.00 0.21 0.00 0.00 52.86 51.51 3des s ASN 165 Cb 0.08 0.86 0.14 0.00 -0.55 0.00 0.00 41.25 41.78 3des s ASN 165 CO 0.49 -0.25 1.59 0.25 -2.79 0.00 0.00 177.10 176.38 3des h LEU 166 N 7.16 -1.11 -0.23 3.21 5.85 -1.98 0.40 115.31 128.61 3des h LEU 166 Ca 0.03 0.23 0.03 0.00 0.84 0.00 0.00 57.88 59.02 3des h LEU 166 Cb 1.08 0.57 -0.03 0.00 0.37 0.00 0.00 40.66 42.65 3des h LEU 166 CO 0.19 -0.30 0.02 0.50 -0.34 0.00 0.00 178.44 178.51 3des h LYS 167 N -0.14 0.10 -0.12 1.25 3.64 -2.00 -1.30 116.57 117.99 3des h LYS 167 Ca 0.25 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.50 3des h LYS 167 Cb 0.55 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3des h LYS 167 CO -0.70 0.06 -0.46 1.49 -2.27 0.00 0.00 179.45 177.58 3des h GLU 168 N 0.10 0.30 -0.60 1.90 4.81 -1.76 -2.64 114.58 116.70 3des h GLU 168 Ca 0.11 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 3des h GLU 168 Cb 0.12 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3des h GLU 168 CO -0.16 0.71 0.13 -0.44 -0.73 0.00 0.00 179.01 178.51 3des h ASP 169 N 0.25 0.93 -0.13 1.04 3.32 0.19 0.16 116.42 122.18 3des h ASP 169 Ca 0.02 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 3des h ASP 169 Cb 0.91 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3des h ASP 169 CO 0.07 0.93 0.07 0.40 -1.72 0.00 0.00 179.24 179.00 3des h ILE 170 N 0.88 1.10 -0.48 0.35 2.04 -1.15 -1.39 117.51 118.87 3des h ILE 170 Ca 0.19 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.79 3des h ILE 170 Cb 0.38 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3des h ILE 170 CO 0.01 0.09 0.28 -0.08 0.00 0.00 0.00 178.15 178.45 3des h GLU 171 N 0.10 0.54 -0.31 2.37 4.57 -1.25 -1.46 114.58 119.13 3des h GLU 171 Ca 0.04 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 3des h GLU 171 Cb 0.09 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3des h GLU 171 CO -0.01 0.35 0.17 0.00 -1.18 0.00 0.00 179.01 178.35 3des h ALA 172 N 1.22 0.38 -0.47 2.92 0.00 -0.40 0.26 119.26 123.18 3des h ALA 172 Ca 0.20 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3des h ALA 172 Cb 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3des h ALA 172 CO -0.10 -0.20 0.08 0.28 0.00 0.00 0.00 179.25 179.31 3des h VAL 173 N 0.35 1.25 -0.47 0.00 2.07 -1.02 -0.07 116.25 118.36 3des h VAL 173 Ca 0.12 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3des h VAL 173 Cb 0.01 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3des h VAL 173 CO -0.07 0.32 0.25 -0.33 0.02 0.00 0.00 177.57 177.77 3des h GLU 174 N 0.64 0.66 -0.67 1.57 5.08 -1.04 -0.27 114.58 120.55 3des h GLU 174 Ca 0.14 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3des h GLU 174 Cb 0.38 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3des h GLU 174 CO 0.01 0.52 0.16 0.93 -1.00 0.00 0.00 179.01 179.63 3des h GLU 175 N 0.62 1.07 -0.59 2.33 4.39 -0.75 -2.63 114.58 119.03 3des h GLU 175 Ca 0.17 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 3des h GLU 175 Cb 0.06 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 3des h GLU 175 CO -0.03 0.96 0.12 0.82 -1.16 0.00 0.00 179.01 179.72 3des h ILE 176 N 1.00 1.24 -0.50 3.13 2.04 -0.71 -3.04 117.51 120.68 3des h ILE 176 Ca 0.21 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 3des h ILE 176 Cb 0.37 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3des h ILE 176 CO 0.00 0.34 0.29 0.00 0.00 0.00 0.00 178.15 178.79 3des h ALA 177 N 1.24 0.64 -0.77 1.87 0.00 -0.70 -2.84 119.26 118.69 3des h ALA 177 Ca 0.19 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3des h ALA 177 Cb 0.36 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3des h ALA 177 CO 0.00 0.13 0.50 0.87 0.00 0.00 0.00 179.25 180.76 3des h LYS 178 N 0.66 0.72 -0.68 0.00 1.57 -1.36 -2.84 116.57 114.65 3des h LYS 178 Ca 0.18 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3des h LYS 178 Cb 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.15 3des h LYS 178 CO -0.03 0.48 0.00 1.33 -0.57 0.00 0.00 179.45 180.66 3des n VAL 179 N -4.49 1.36 -2.71 0.50 0.24 -1.11 -4.38 118.33 107.73 3des n VAL 179 Ca 0.12 -1.09 -0.04 0.00 -2.04 0.00 0.00 64.34 61.29 3des n VAL 179 Cb 0.28 0.34 0.05 0.00 -1.47 0.00 0.00 33.84 33.04 3des n VAL 179 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3des n THR 180 N 1.36 1.47 -1.67 3.34 -2.24 -1.07 -4.82 114.28 110.64 3des n THR 180 Ca 0.24 -3.13 -0.47 0.00 -2.27 0.00 0.00 64.05 58.42 3des n THR 180 Cb 0.73 0.91 -0.05 0.00 -2.10 0.00 0.00 70.33 69.83 3des n THR 180 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3des n ARG 181 N -0.62 2.25 0.00 -0.78 1.74 -1.23 -1.28 116.66 116.74 3des n ARG 181 Ca 0.13 0.82 0.00 0.00 -0.77 0.00 0.00 57.85 58.03 3des n ARG 181 Cb 0.83 -2.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.56 3des n ARG 181 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3des n GLY 182 N 4.51 1.78 3.86 -0.13 0.00 -1.26 -5.10 105.19 108.84 3des n GLY 182 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 3des n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3des s ALA 183 N -1.77 3.20 0.16 4.61 0.00 -0.40 -5.00 121.76 122.56 3des s ALA 183 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.01 3des s ALA 183 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 3des s ALA 183 CO 0.00 -0.11 0.26 0.15 0.00 0.00 0.00 175.76 176.06 3des s LYS 184 N -3.91 3.32 -0.01 0.00 1.02 0.38 -4.99 119.74 115.56 3des s LYS 184 Ca 0.55 -0.68 0.06 0.00 0.02 0.00 0.00 55.97 55.93 3des s LYS 184 Cb -0.10 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 3des s LYS 184 CO 0.30 0.50 -0.20 0.71 -0.92 0.00 0.00 175.35 175.75 3des s TYR 185 N -1.78 1.76 -0.14 3.18 2.02 -1.26 -1.35 117.35 119.78 3des s TYR 185 Ca 0.34 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.72 3des s TYR 185 Cb -0.11 -1.13 0.01 0.00 -0.40 0.00 0.00 41.96 40.34 3des s TYR 185 CO 0.27 -0.02 -0.21 0.42 -1.57 0.00 0.00 175.55 174.45 3des s ILE 186 N -0.49 1.99 -0.19 2.71 1.01 -0.49 -0.26 121.20 125.49 3des s ILE 186 Ca 0.08 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 3des s ILE 186 Cb -0.08 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 3des s ILE 186 CO -0.01 0.54 -0.02 -0.69 0.00 0.00 0.00 174.94 174.76 3des s VAL 187 N 0.91 3.85 -0.22 2.92 1.01 -0.39 0.95 120.40 129.43 3des s VAL 187 Ca -0.05 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3des s VAL 187 Cb -0.15 -2.73 0.05 0.00 0.00 0.00 0.00 36.38 33.55 3des s VAL 187 CO -0.04 0.44 -0.12 -0.62 0.00 0.00 0.00 175.10 174.77 3des s ASP 188 N 0.89 3.83 0.07 3.32 -1.08 -0.19 -0.24 116.67 123.27 3des s ASP 188 Ca 0.00 -1.09 0.25 0.00 -0.52 0.00 0.00 52.55 51.20 3des s ASP 188 Cb -0.14 -1.41 0.54 0.00 -1.46 0.00 0.00 42.92 40.45 3des s ASP 188 CO 0.02 -0.15 1.46 0.00 0.52 0.00 0.00 175.17 177.02 3des n ALA 189 N 4.56 3.04 -3.99 3.66 0.00 -1.02 -1.26 120.51 125.51 3des n ALA 189 Ca -0.15 -0.25 -0.27 0.00 0.00 0.00 0.00 53.44 52.76 3des n ALA 189 Cb 0.45 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 3des n ALA 189 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3des n ASN 190 N -1.82 -0.93 0.00 0.00 4.13 -1.18 -1.69 115.26 113.77 3des n ASN 190 Ca 0.05 -0.99 0.00 0.00 1.68 0.00 0.00 54.58 55.31 3des n ASN 190 Cb 0.39 -3.07 0.00 0.00 -1.54 0.00 0.00 39.78 35.56 3des n ASN 190 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3des n MET 191 N -4.41 -0.75 0.11 3.52 2.81 0.23 -4.76 117.12 113.87 3des n MET 191 Ca -0.24 0.19 0.12 0.00 -1.81 0.00 0.00 57.70 55.96 3des n MET 191 Cb 0.65 -3.93 0.46 0.00 -0.71 0.00 0.00 33.22 29.69 3des n MET 191 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3des n GLY 192 N -1.19 -1.42 3.81 3.03 0.00 -0.68 -3.78 105.19 104.96 3des n GLY 192 Ca 0.00 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 3des n GLY 192 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3des s TYR 193 N -3.23 3.11 0.69 1.61 2.02 -0.69 -4.78 117.35 116.08 3des s TYR 193 Ca 0.07 -0.08 -0.07 0.00 -0.37 0.00 0.00 57.07 56.62 3des s TYR 193 Cb 0.11 -1.43 0.05 0.00 -0.40 0.00 0.00 41.96 40.28 3des s TYR 193 CO 0.46 0.52 1.00 0.95 -1.57 0.00 0.00 175.55 176.92 3des s THR 194 N -2.00 2.54 0.16 -0.71 -4.23 -1.26 -4.13 115.64 106.00 3des s THR 194 Ca 0.32 -0.19 -0.18 0.00 -1.18 0.00 0.00 61.69 60.47 3des s THR 194 Cb -0.09 -3.09 0.07 0.00 1.34 0.00 0.00 72.50 70.73 3des s THR 194 CO 0.24 -0.10 1.67 1.56 -0.54 0.00 0.00 174.62 177.45 3des h GLN 195 N -0.54 -0.00 -0.37 3.99 4.20 -1.92 0.23 115.11 120.69 3des h GLN 195 Ca -0.45 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.15 3des h GLN 195 Cb 1.30 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 3des h GLN 195 CO 0.61 -0.00 -0.22 0.87 -0.67 0.00 0.00 178.83 179.41 3des h LYS 196 N -0.00 0.74 -0.51 1.46 1.79 -1.98 -1.43 116.57 116.64 3des h LYS 196 Ca 0.18 -0.29 -0.07 0.00 -2.18 0.00 0.00 60.65 58.28 3des h LYS 196 Cb 0.27 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 3des h LYS 196 CO -0.38 0.89 0.05 0.93 -1.08 0.00 0.00 179.45 179.87 3des h GLU 197 N 0.64 0.87 -0.71 3.15 5.08 -1.82 0.44 114.58 122.22 3des h GLU 197 Ca 0.09 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3des h GLU 197 Cb 0.72 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 3des h GLU 197 CO 0.06 0.88 0.47 0.00 -1.00 0.00 0.00 179.01 179.41 3des h ALA 198 N 0.96 0.91 -0.34 3.43 0.00 -0.74 0.03 119.26 123.52 3des h ALA 198 Ca 0.15 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3des h ALA 198 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3des h ALA 198 CO 0.02 0.31 -0.05 0.28 0.00 0.00 0.00 179.25 179.81 3des h VAL 199 N 0.95 1.27 -0.83 0.00 2.07 -0.96 -2.78 116.25 115.98 3des h VAL 199 Ca 0.27 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 3des h VAL 199 Cb -0.09 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3des h VAL 199 CO -0.07 0.35 0.44 -0.08 0.02 0.00 0.00 177.57 178.23 3des h GLU 200 N 0.42 1.17 -0.29 1.57 4.57 -0.47 -0.65 114.58 120.90 3des h GLU 200 Ca 0.09 -0.15 0.03 0.00 -1.18 0.00 0.00 59.36 58.15 3des h GLU 200 Cb 0.53 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 3des h GLU 200 CO 0.03 0.87 0.09 0.35 -1.18 0.00 0.00 179.01 179.17 3des h PHE 201 N 1.16 0.17 -0.50 0.92 3.57 -0.93 -0.03 116.94 121.30 3des h PHE 201 Ca 0.29 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 3des h PHE 201 Cb 0.06 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3des h PHE 201 CO 0.01 0.07 0.17 0.00 -2.23 0.00 0.00 178.31 176.33 3des h ALA 202 N 1.19 0.66 -0.56 2.41 0.00 -1.17 -2.41 119.26 119.37 3des h ALA 202 Ca 0.13 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3des h ALA 202 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3des h ALA 202 CO -0.14 0.30 0.10 0.00 0.00 0.00 0.00 179.25 179.51 3des h ARG 203 N 0.68 0.93 -0.11 0.00 3.08 -0.87 -0.35 114.38 117.74 3des h ARG 203 Ca 0.16 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.98 3des h ARG 203 Cb 0.25 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3des h ARG 203 CO -0.01 0.89 0.04 0.00 -1.07 0.00 0.00 179.97 179.82 3des h ALA 204 N 1.00 0.12 -0.46 0.04 0.00 -0.91 0.14 119.26 119.19 3des h ALA 204 Ca 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3des h ALA 204 Cb 0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3des h ALA 204 CO 0.01 -0.41 0.24 0.28 0.00 0.00 0.00 179.25 179.37 3des h VAL 205 N 0.10 1.17 -0.61 0.00 2.07 -1.34 -2.67 116.25 114.97 3des h VAL 205 Ca 0.05 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.14 3des h VAL 205 Cb 0.02 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3des h VAL 205 CO -0.04 0.19 0.35 0.22 0.02 0.00 0.00 177.57 178.31 3des h TYR 206 N 0.60 0.65 -0.01 1.57 3.20 -0.75 -1.54 116.97 120.69 3des h TYR 206 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3des h TYR 206 Cb 0.08 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 3des h TYR 206 CO -0.01 0.34 0.02 1.96 -1.64 0.00 0.00 178.16 178.82 3des h GLN 207 N 0.68 0.00 -0.13 1.82 1.08 -0.63 0.39 115.11 118.32 3des h GLN 207 Ca 0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 3des h GLN 207 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3des h GLN 207 CO -0.14 0.00 0.00 1.17 -0.95 0.00 0.00 178.83 178.91 3des n LYS 208 N -3.84 1.54 -1.00 1.46 3.00 -0.60 -4.90 118.16 113.82 3des n LYS 208 Ca -0.03 -0.81 -0.00 0.00 -0.00 0.00 0.00 58.31 57.47 3des n LYS 208 Cb 0.10 -1.36 -0.00 0.00 0.00 0.00 0.00 35.03 33.77 3des n LYS 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3des n GLY 209 N 1.03 0.47 3.79 3.14 0.00 0.13 -5.03 105.19 108.73 3des n GLY 209 Ca 0.15 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3des n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3des s ILE 210 N -1.99 4.82 -0.14 -0.61 1.01 -1.08 -5.03 121.20 118.18 3des s ILE 210 Ca 0.00 1.22 -0.04 0.00 0.00 0.00 0.00 60.65 61.83 3des s ILE 210 Cb 0.00 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 3des s ILE 210 CO 0.00 0.49 0.01 -0.62 0.00 0.00 0.00 174.94 174.82 3des s ASP 211 N -0.67 5.23 -0.21 3.58 3.68 -1.26 -4.17 116.67 122.85 3des s ASP 211 Ca 0.30 0.04 -0.03 0.00 2.13 0.00 0.00 52.55 54.99 3des s ASP 211 Cb -0.19 -1.74 -0.01 0.00 -1.45 0.00 0.00 42.92 39.53 3des s ASP 211 CO 0.18 0.24 -0.07 -0.63 0.13 0.00 0.00 175.17 175.02 3des s ILE 212 N -0.07 3.17 0.09 4.11 1.01 -1.26 -4.33 121.20 123.92 3des s ILE 212 Ca 0.04 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 59.95 3des s ILE 212 Cb -0.13 -2.42 -0.08 0.00 0.01 0.00 0.00 42.46 39.85 3des s ILE 212 CO 0.02 0.45 1.51 0.00 0.00 0.00 0.00 174.94 176.92 3des h ALA 213 N 7.94 0.37 -3.19 9.38 0.00 -1.01 -3.40 119.26 129.36 3des h ALA 213 Ca -0.41 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.05 3des h ALA 213 Cb 1.16 -0.10 -0.30 0.00 0.00 0.00 0.00 17.79 18.56 3des h ALA 213 CO 0.61 0.14 -0.54 0.08 0.00 0.00 0.00 179.25 179.54 3des s VAL 214 N -4.90 -0.03 -0.51 0.00 1.01 -1.23 -4.41 120.40 110.32 3des s VAL 214 Ca -0.13 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 3des s VAL 214 Cb 0.08 -0.29 0.13 0.00 0.00 0.00 0.00 36.38 36.30 3des s VAL 214 CO 0.76 0.05 0.34 -0.47 0.00 0.00 0.00 175.10 175.78 3des s TYR 215 N 0.90 3.50 0.12 5.22 5.04 0.81 -1.26 117.35 131.69 3des s TYR 215 Ca -0.07 -2.36 -0.30 0.00 -2.44 0.00 0.00 57.07 51.90 3des s TYR 215 Cb -0.08 -3.32 -0.06 0.00 0.35 0.00 0.00 41.96 38.85 3des s TYR 215 CO -0.05 -0.94 1.02 -1.21 -1.34 0.00 0.00 175.55 173.03 3des s GLU 216 N 0.77 4.65 -0.07 4.97 2.02 0.67 -0.64 118.70 131.06 3des s GLU 216 Ca 0.11 1.55 -0.02 0.00 0.02 0.00 0.00 54.97 56.63 3des s GLU 216 Cb -0.22 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.66 3des s GLU 216 CO -0.03 0.14 0.07 0.94 0.02 0.00 0.00 175.26 176.39 3des n GLN 217 N 2.76 -0.18 0.17 1.61 -0.06 0.10 -2.43 117.38 119.34 3des n GLN 217 Ca 0.03 0.11 0.02 0.00 -2.00 0.00 0.00 57.00 55.16 3des n GLN 217 Cb 0.48 -0.23 0.30 0.00 -4.06 0.00 0.00 30.24 26.73 3des n GLN 217 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3des h PRO 218 N 0.57 0.00 -5.36 3.69 0.13 -1.81 0.71 132.00 129.92 3des h PRO 218 Ca -0.07 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.40 3des h PRO 218 Cb 0.15 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.16 3des h PRO 218 CO 0.03 0.46 -0.51 0.14 -0.23 0.00 0.00 178.00 177.88 3des s VAL 219 N -3.85 1.39 0.66 1.56 -7.23 -1.26 -1.70 120.40 109.96 3des s VAL 219 Ca -0.02 -1.95 -0.17 0.00 -1.81 0.00 0.00 61.98 58.03 3des s VAL 219 Cb 0.13 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 3des s VAL 219 CO 0.73 0.00 0.98 0.54 -0.31 0.00 0.00 175.10 177.04 3des n ARG 220 N -1.25 0.75 -0.06 4.82 1.74 -1.25 -4.15 116.66 117.26 3des n ARG 220 Ca -0.15 0.31 0.07 0.00 -0.77 0.00 0.00 57.85 57.31 3des n ARG 220 Cb 0.67 -2.22 0.44 0.00 -1.02 0.00 0.00 32.46 30.33 3des n ARG 220 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3des h ARG 221 N 0.18 0.52 0.00 5.56 0.11 -1.91 -2.27 114.38 116.57 3des h ARG 221 Ca -0.48 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.57 3des h ARG 221 Cb 1.35 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.31 3des h ARG 221 CO 0.49 0.35 -0.30 0.39 0.10 0.00 0.00 179.97 181.00 3des n GLU 222 N -4.47 0.03 -2.14 0.08 -0.58 -1.26 -4.49 120.64 107.80 3des n GLU 222 Ca 0.07 0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.40 3des n GLU 222 Cb 0.20 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 3des n GLU 222 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3des n ASP 223 N -1.57 4.67 -0.17 1.62 2.03 -0.85 -4.73 116.55 117.54 3des n ASP 223 Ca 0.06 -3.01 -0.07 0.00 0.52 0.00 0.00 54.79 52.29 3des n ASP 223 Cb 0.35 -1.55 0.02 0.00 -0.72 0.00 0.00 41.12 39.22 3des n ASP 223 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3des h ILE 224 N 3.87 1.13 -0.17 5.18 1.08 -1.83 -0.44 117.51 126.33 3des h ILE 224 Ca 0.45 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 64.67 3des h ILE 224 Cb 0.64 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 3des h ILE 224 CO 1.71 0.13 0.06 -0.33 -0.69 0.00 0.00 178.15 179.03 3des h GLU 225 N 0.67 0.23 -0.21 2.37 5.08 -1.98 -1.24 114.58 119.50 3des h GLU 225 Ca 0.18 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3des h GLU 225 Cb -0.07 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3des h GLU 225 CO -0.04 0.20 0.03 0.78 -1.00 0.00 0.00 179.01 178.99 3des h GLY 226 N 0.35 0.37 0.81 -3.84 0.00 -1.51 0.11 103.07 99.37 3des h GLY 226 Ca 0.06 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.18 3des h GLY 226 CO -0.01 0.23 0.35 1.41 0.00 0.00 0.00 176.54 178.52 3des h LEU 227 N 0.14 0.55 -0.92 3.11 3.38 -0.30 -1.67 115.31 119.60 3des h LEU 227 Ca 0.06 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3des h LEU 227 Cb 0.32 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3des h LEU 227 CO 0.00 0.38 0.33 0.50 0.09 0.00 0.00 178.44 179.74 3des h LYS 228 N 0.68 1.11 -0.79 1.13 3.64 -0.99 -0.47 116.57 120.88 3des h LYS 228 Ca 0.25 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3des h LYS 228 Cb 0.07 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 3des h LYS 228 CO -0.12 0.88 0.43 0.35 -2.27 0.00 0.00 179.45 178.72 3des h PHE 229 N 1.09 1.09 -0.39 1.91 3.57 -0.02 -0.56 116.94 123.62 3des h PHE 229 Ca 0.26 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 3des h PHE 229 Cb 0.17 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3des h PHE 229 CO 0.02 0.76 -0.15 0.28 -2.23 0.00 0.00 178.31 176.99 3des h VAL 230 N 1.10 1.28 -0.55 1.41 2.07 -0.83 -2.16 116.25 118.57 3des h VAL 230 Ca 0.28 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.56 3des h VAL 230 Cb 0.03 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3des h VAL 230 CO -0.04 0.42 0.33 -0.09 0.02 0.00 0.00 177.57 178.21 3des h ARG 231 N 0.59 0.64 0.00 1.57 2.43 -0.70 -0.84 114.38 118.07 3des h ARG 231 Ca 0.09 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3des h ARG 231 Cb 0.68 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3des h ARG 231 CO 0.05 0.42 0.00 1.19 -1.51 0.00 0.00 179.97 180.12 3des n PHE 232 N -4.77 0.00 -0.82 2.20 3.01 -0.25 -3.82 117.46 113.02 3des n PHE 232 Ca 0.04 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.53 3des n PHE 232 Cb 0.07 -0.40 0.04 0.00 -0.01 0.00 0.00 39.48 39.17 3des n PHE 232 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3des n HIS 233 N -1.40 0.00 -4.68 1.38 8.25 -0.82 -5.03 115.22 112.91 3des n HIS 233 Ca 0.10 -0.44 -0.23 0.00 -0.26 0.00 0.00 57.72 56.89 3des n HIS 233 Cb 0.28 -0.06 -0.15 0.00 1.12 0.00 0.00 29.99 31.17 3des n HIS 233 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3des s SER 234 N -1.25 1.72 0.00 0.41 0.15 -0.36 -4.94 113.70 109.43 3des s SER 234 Ca 0.08 -0.27 0.18 0.00 0.70 0.00 0.00 55.95 56.64 3des s SER 234 Cb 0.07 -0.20 0.77 0.00 -1.71 0.00 0.00 66.02 64.95 3des s SER 234 CO 0.01 0.18 1.57 -0.81 1.20 0.00 0.00 173.24 175.39 3des n PRO 235 N 2.73 0.00 -4.06 5.44 -0.04 -1.26 -4.84 135.00 132.97 3des n PRO 235 Ca -0.14 0.19 -0.27 0.00 -0.04 0.00 0.00 63.50 63.24 3des n PRO 235 Cb 0.55 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 3des n PRO 235 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3des s PHE 236 N -2.99 3.19 0.16 0.54 0.08 -1.26 -5.05 117.98 112.65 3des s PHE 236 Ca 0.09 0.02 -0.32 0.00 0.12 0.00 0.00 56.93 56.84 3des s PHE 236 Cb 0.12 -1.55 -0.11 0.00 -0.57 0.00 0.00 43.02 40.91 3des s PHE 236 CO 0.33 0.52 1.66 -2.14 -0.10 0.00 0.00 175.22 175.49 3des s PRO 237 N -2.99 4.17 -0.15 0.24 0.02 -1.26 -4.85 135.00 130.18 3des s PRO 237 Ca 0.31 2.47 -0.08 0.00 0.02 0.00 0.00 61.00 63.72 3des s PRO 237 Cb -0.11 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.14 3des s PRO 237 CO 0.24 -0.70 0.12 0.08 -0.33 0.00 0.00 177.00 176.41 3des s VAL 238 N 1.51 5.37 0.08 3.83 1.01 -1.26 -0.14 120.40 130.80 3des s VAL 238 Ca 0.73 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.97 3des s VAL 238 Cb -0.46 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3des s VAL 238 CO 0.32 0.54 -0.24 0.00 0.00 0.00 0.00 175.10 175.72 3des s ALA 239 N -0.37 2.41 -0.17 5.51 0.00 0.19 -0.54 121.76 128.79 3des s ALA 239 Ca 0.11 -1.33 -0.10 0.00 0.00 0.00 0.00 51.96 50.64 3des s ALA 239 Cb -0.12 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 3des s ALA 239 CO 0.01 0.55 0.17 0.00 0.00 0.00 0.00 175.76 176.49 3des s ALA 240 N -0.95 3.71 0.00 0.00 0.00 -0.42 0.00 121.76 124.11 3des s ALA 240 Ca 0.14 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3des s ALA 240 Cb -0.10 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.84 3des s ALA 240 CO 0.05 0.25 0.00 -3.47 0.00 0.00 0.00 175.76 172.59 3des n ASP 241 N 3.16 0.00 0.12 0.00 -0.08 -1.26 -0.99 116.55 117.49 3des n ASP 241 Ca -0.16 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.29 3des n ASP 241 Cb 0.53 0.00 0.74 0.00 2.34 0.00 0.00 41.12 44.72 3des n ASP 241 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3des h GLU 242 N 0.00 0.00 0.00 -0.67 3.07 -1.93 0.95 114.58 116.00 3des h GLU 242 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3des h GLU 242 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3des h GLU 242 CO 0.00 0.00 -0.03 0.43 -1.40 0.00 0.00 179.01 178.01 3des n SER 243 N -4.15 0.12 -3.98 1.42 7.64 -1.26 -4.47 113.62 108.94 3des n SER 243 Ca 0.05 0.47 -0.31 0.00 1.01 0.00 0.00 58.87 60.09 3des n SER 243 Cb 0.43 -0.50 -0.11 0.00 -1.01 0.00 0.00 64.21 63.02 3des n SER 243 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3des s ALA 244 N -3.01 3.69 -0.22 -0.43 0.00 0.33 -4.82 121.76 117.30 3des s ALA 244 Ca 0.13 -3.57 0.01 0.00 0.00 0.00 0.00 51.96 48.53 3des s ALA 244 Cb 0.18 -2.35 -0.14 0.00 0.00 0.00 0.00 23.12 20.81 3des s ALA 244 CO 0.55 -2.08 -0.20 0.54 0.00 0.00 0.00 175.76 174.56 3des n ARG 245 N 2.63 0.54 -4.27 0.00 1.74 -1.26 -4.86 116.66 111.18 3des n ARG 245 Ca 0.13 0.13 -0.25 0.00 -0.77 0.00 0.00 57.85 57.10 3des n ARG 245 Cb 0.35 -1.43 -0.08 0.00 -1.02 0.00 0.00 32.46 30.27 3des n ARG 245 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3des s THR 246 N -2.44 2.50 0.45 0.55 -4.23 -1.26 -3.44 115.64 107.78 3des s THR 246 Ca -0.30 -1.86 0.15 0.00 -1.18 0.00 0.00 61.69 58.50 3des s THR 246 Cb 0.08 -2.90 0.19 0.00 1.34 0.00 0.00 72.50 71.21 3des s THR 246 CO 0.50 -0.11 2.00 0.07 -0.54 0.00 0.00 174.62 176.54 3des h LYS 247 N 1.66 0.00 -0.44 3.99 2.10 -1.94 -1.86 116.57 120.07 3des h LYS 247 Ca -0.43 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.08 3des h LYS 247 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 3des h LYS 247 CO 0.69 0.17 -0.29 0.74 -2.00 0.00 0.00 179.45 178.76 3des h PHE 248 N 0.00 1.13 -0.35 0.07 0.04 -1.96 -1.16 116.94 114.71 3des h PHE 248 Ca -0.00 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 60.47 3des h PHE 248 Cb 0.31 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 3des h PHE 248 CO 0.00 1.13 0.23 -0.44 -0.60 0.00 0.00 178.31 178.63 3des h ASP 249 N 0.81 0.41 -0.64 2.17 3.32 -1.71 -1.66 116.42 119.11 3des h ASP 249 Ca 0.09 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 3des h ASP 249 Cb 0.88 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 3des h ASP 249 CO 0.08 0.30 0.21 0.58 -1.72 0.00 0.00 179.24 178.69 3des h VAL 250 N 0.48 1.25 -0.80 -1.35 2.07 -1.25 0.26 116.25 116.91 3des h VAL 250 Ca 0.13 -0.84 0.04 0.00 0.82 0.00 0.00 66.70 66.85 3des h VAL 250 Cb -0.05 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 3des h VAL 250 CO -0.03 0.32 0.50 -0.03 0.02 0.00 0.00 177.57 178.35 3des h MET 251 N 0.93 0.92 -0.42 1.57 -1.53 -0.94 0.56 114.93 116.01 3des h MET 251 Ca 0.21 -0.06 -0.06 0.00 -3.44 0.00 0.00 59.70 56.35 3des h MET 251 Cb 0.28 -0.21 -0.02 0.00 -0.55 0.00 0.00 31.60 31.11 3des h MET 251 CO -0.01 0.61 0.03 -0.09 0.14 0.00 0.00 176.91 177.59 3des h ARG 252 N 0.95 0.72 -0.52 0.39 2.43 -0.77 -1.40 114.38 116.17 3des h ARG 252 Ca 0.33 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3des h ARG 252 Cb 0.08 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3des h ARG 252 CO -0.14 0.78 0.29 -0.07 -1.51 0.00 0.00 179.97 179.32 3des h LEU 253 N 0.57 0.63 -0.20 3.80 3.38 -0.07 -1.50 115.31 121.92 3des h LEU 253 Ca 0.12 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 3des h LEU 253 Cb 0.43 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3des h LEU 253 CO 0.02 0.51 -0.34 0.58 0.09 0.00 0.00 178.44 179.29 3des h VAL 254 N 0.72 1.33 -0.87 1.22 2.07 -0.65 -2.17 116.25 117.90 3des h VAL 254 Ca 0.19 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.15 3des h VAL 254 Cb 0.01 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3des h VAL 254 CO -0.03 0.48 0.55 0.11 0.02 0.00 0.00 177.57 178.69 3des h LYS 255 N 0.24 1.17 -0.00 1.57 1.57 -0.89 -2.27 116.57 117.96 3des h LYS 255 Ca 0.01 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3des h LYS 255 Cb 0.93 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3des h LYS 255 CO 0.08 0.80 -0.06 0.39 -0.57 0.00 0.00 179.45 180.08 3des n GLU 256 N -4.38 0.88 -3.60 3.15 -0.58 -0.60 -4.92 120.64 110.59 3des n GLU 256 Ca 0.10 -0.27 -0.27 0.00 -0.42 0.00 0.00 57.16 56.30 3des n GLU 256 Cb 0.05 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.45 3des n GLU 256 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3des n GLU 257 N -0.83 -5.30 0.10 3.49 1.02 -0.85 -4.89 120.64 113.38 3des n GLU 257 Ca 0.17 0.66 -0.04 0.00 -0.02 0.00 0.00 57.16 57.94 3des n GLU 257 Cb 0.25 -5.54 0.02 0.00 -0.02 0.00 0.00 31.44 26.16 3des n GLU 257 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3des h ALA 258 N 0.98 0.65 -2.38 0.62 0.00 -1.70 -3.46 119.26 113.97 3des h ALA 258 Ca -0.54 -0.73 -0.15 0.00 0.00 0.00 0.00 54.91 53.49 3des h ALA 258 Cb 1.36 -0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 3des h ALA 258 CO 0.61 1.00 -0.62 0.14 0.00 0.00 0.00 179.25 180.37 3des s VAL 259 N -3.13 0.14 -0.09 0.00 -7.23 -1.26 -2.87 120.40 105.96 3des s VAL 259 Ca 0.00 -1.81 0.15 0.00 -1.81 0.00 0.00 61.98 58.51 3des s VAL 259 Cb 0.11 -1.81 -0.22 0.00 0.56 0.00 0.00 36.38 35.02 3des s VAL 259 CO 0.79 -0.65 0.54 0.47 -0.31 0.00 0.00 175.10 175.94 3des n ASP 260 N -0.03 0.65 -4.23 4.85 8.00 0.30 -4.88 116.55 121.21 3des n ASP 260 Ca -0.09 0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.59 3des n ASP 260 Cb 0.63 0.25 -0.10 0.00 -0.02 0.00 0.00 41.12 41.88 3des n ASP 260 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3des s TYR 261 N -2.63 1.15 -0.05 1.24 1.51 -0.01 -1.76 117.35 116.79 3des s TYR 261 Ca -0.06 -0.84 0.01 0.00 -1.01 0.00 0.00 57.07 55.17 3des s TYR 261 Cb 0.08 -0.62 0.02 0.00 -0.11 0.00 0.00 41.96 41.33 3des s TYR 261 CO 0.83 -0.03 -0.06 0.08 -1.11 0.00 0.00 175.55 175.26 3des s VAL 262 N -3.46 0.65 -0.54 0.71 1.01 -0.94 -1.30 120.40 116.52 3des s VAL 262 Ca 0.16 -0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 3des s VAL 262 Cb 0.04 -0.65 0.07 0.00 0.00 0.00 0.00 36.38 35.84 3des s VAL 262 CO -0.01 0.25 0.65 0.21 0.00 0.00 0.00 175.10 176.20 3des s ASN 263 N 0.87 6.21 0.22 3.32 3.84 -0.16 -2.23 114.94 127.01 3des s ASN 263 Ca -0.12 -1.10 -0.26 0.00 0.21 0.00 0.00 52.86 51.60 3des s ASN 263 Cb -0.15 -2.29 -0.09 0.00 -0.55 0.00 0.00 41.25 38.18 3des s ASN 263 CO 0.01 -0.96 0.84 -0.63 -2.79 0.00 0.00 177.10 173.56 3des s ILE 264 N 2.63 4.30 -0.04 -5.21 1.01 -0.15 -4.72 121.20 119.02 3des s ILE 264 Ca 0.14 1.75 -0.01 0.00 0.00 0.00 0.00 60.65 62.52 3des s ILE 264 Cb -0.21 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.17 3des s ILE 264 CO 0.10 0.40 0.06 -0.54 0.00 0.00 0.00 174.94 174.96 3des s LYS 265 N -1.45 -0.04 0.44 2.79 1.02 -1.26 -0.73 119.74 120.51 3des s LYS 265 Ca 0.41 0.31 0.14 0.00 0.02 0.00 0.00 55.97 56.85 3des s LYS 265 Cb -0.22 -0.36 1.04 0.00 -0.52 0.00 0.00 37.83 37.77 3des s LYS 265 CO 0.26 -0.25 2.00 -0.07 -0.92 0.00 0.00 175.35 176.37 3des h LEU 266 N 7.87 0.34 -2.12 3.17 3.38 -1.85 -0.17 115.31 125.93 3des h LEU 266 Ca -0.28 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3des h LEU 266 Cb 1.12 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3des h LEU 266 CO 0.31 0.21 -0.07 0.24 0.09 0.00 0.00 178.44 179.22 3des h MET 267 N 0.38 0.00 0.05 1.13 2.86 -1.91 0.88 114.93 118.31 3des h MET 267 Ca 0.25 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.51 3des h MET 267 Cb 0.48 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.09 3des h MET 267 CO -0.06 0.07 -2.28 1.63 1.06 0.00 0.00 176.91 177.32 3des n LYS 268 N -3.47 0.69 -0.03 1.72 5.02 -0.21 -2.72 118.16 119.16 3des n LYS 268 Ca -0.02 0.20 0.04 0.00 -2.02 0.00 0.00 58.31 56.52 3des n LYS 268 Cb 0.20 -1.59 -0.14 0.00 -0.02 0.00 0.00 35.03 33.47 3des n LYS 268 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3des n SER 269 N -3.38 0.81 -0.05 4.39 7.64 -0.41 -4.73 113.62 117.90 3des n SER 269 Ca -0.41 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.48 3des n SER 269 Cb 1.01 1.59 -0.00 0.00 -1.01 0.00 0.00 64.21 65.80 3des n SER 269 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3des n GLY 270 N 1.59 -1.83 0.27 0.23 0.00 0.30 -3.37 105.19 102.39 3des n GLY 270 Ca -0.10 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 3des n GLY 270 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3des h ILE 271 N -0.04 1.27 0.56 -0.61 1.08 -1.83 -2.67 117.51 115.27 3des h ILE 271 Ca -0.00 -1.26 -0.02 0.00 -0.39 0.00 0.00 64.86 63.19 3des h ILE 271 Cb 0.04 1.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.87 3des h ILE 271 CO 0.00 0.44 -0.34 0.77 -0.69 0.00 0.00 178.15 178.33 3des h SER 272 N 0.79 -0.85 0.04 1.72 4.64 -1.95 -0.86 113.55 117.07 3des h SER 272 Ca 0.12 0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 3des h SER 272 Cb 0.68 0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 3des h SER 272 CO 0.05 -0.54 -0.18 0.44 -0.87 0.00 0.00 176.83 175.73 3des h ASP 273 N -0.85 0.26 -0.36 4.97 5.19 -1.65 -2.36 116.42 121.61 3des h ASP 273 Ca -0.07 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.27 3des h ASP 273 Cb 0.69 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.11 3des h ASP 273 CO 0.07 0.46 0.18 0.00 -3.12 0.00 0.00 179.24 176.83 3des h ALA 274 N 1.57 0.47 -0.92 3.45 0.00 -1.23 0.97 119.26 123.57 3des h ALA 274 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3des h ALA 274 Cb 0.47 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3des h ALA 274 CO 0.03 0.02 0.55 -0.07 0.00 0.00 0.00 179.25 179.78 3des h LEU 275 N 0.45 1.10 -0.70 0.00 3.38 -0.85 -0.50 115.31 118.20 3des h LEU 275 Ca 0.13 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3des h LEU 275 Cb 0.10 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3des h LEU 275 CO -0.02 0.84 0.19 0.00 0.09 0.00 0.00 178.44 179.55 3des h ALA 276 N 1.34 0.91 -0.64 1.53 0.00 -0.90 -2.39 119.26 119.12 3des h ALA 276 Ca 0.33 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3des h ALA 276 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3des h ALA 276 CO -0.06 0.61 0.04 0.82 0.00 0.00 0.00 179.25 180.66 3des h ILE 277 N 1.03 1.27 -0.33 0.00 2.04 -0.16 -0.68 117.51 120.67 3des h ILE 277 Ca 0.22 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 64.99 3des h ILE 277 Cb 0.34 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3des h ILE 277 CO -0.00 0.41 0.15 0.58 0.00 0.00 0.00 178.15 179.29 3des h VAL 278 N 1.01 0.97 -0.47 1.67 2.07 -0.89 -0.05 116.25 120.56 3des h VAL 278 Ca 0.19 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3des h VAL 278 Cb 0.52 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3des h VAL 278 CO 0.03 0.06 0.24 -0.33 0.02 0.00 0.00 177.57 177.59 3des h GLU 279 N 0.32 0.66 -0.61 1.57 4.39 -1.15 -1.18 114.58 118.59 3des h GLU 279 Ca 0.14 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.78 3des h GLU 279 Cb 0.07 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 3des h GLU 279 CO -0.11 0.53 0.38 0.82 -1.16 0.00 0.00 179.01 179.47 3des h ILE 280 N 0.61 1.08 -0.48 3.13 2.04 -0.77 -1.48 117.51 121.63 3des h ILE 280 Ca 0.16 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3des h ILE 280 Cb 0.08 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3des h ILE 280 CO -0.02 0.14 0.23 0.00 0.00 0.00 0.00 178.15 178.50 3des h ALA 281 N 1.27 0.62 0.00 1.87 0.00 -0.63 -2.07 119.26 120.32 3des h ALA 281 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3des h ALA 281 Cb 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3des h ALA 281 CO -0.10 0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.73 3des n GLU 282 N -4.62 0.14 -0.58 0.00 1.02 -0.48 -2.11 120.64 114.01 3des n GLU 282 Ca 0.02 0.32 0.09 0.00 -0.02 0.00 0.00 57.16 57.57 3des n GLU 282 Cb 0.11 -1.74 0.34 0.00 -0.02 0.00 0.00 31.44 30.14 3des n GLU 282 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3des n SER 283 N -1.99 4.63 -2.02 1.62 7.64 -0.59 -4.98 113.62 117.93 3des n SER 283 Ca 0.03 -2.45 -0.06 0.00 1.01 0.00 0.00 58.87 57.40 3des n SER 283 Cb 0.24 -0.56 -0.00 0.00 -1.01 0.00 0.00 64.21 62.88 3des n SER 283 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3des n SER 284 N 1.02 -0.97 0.00 6.43 3.41 -0.89 -5.03 113.62 117.59 3des n SER 284 Ca 0.25 -1.94 0.13 0.00 -0.26 0.00 0.00 58.87 57.05 3des n SER 284 Cb 0.87 1.69 0.72 0.00 -0.26 0.00 0.00 64.21 67.22 3des n SER 284 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3des n GLY 285 N -0.30 -1.04 3.77 5.00 0.00 -1.26 -4.87 105.19 106.49 3des n GLY 285 Ca -0.02 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3des n GLY 285 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3des s LEU 286 N -2.35 4.41 0.30 0.99 2.96 -1.26 -5.00 118.68 118.72 3des s LEU 286 Ca 0.31 2.70 0.10 0.00 -0.22 0.00 0.00 54.13 57.02 3des s LEU 286 Cb 0.18 -3.67 -0.05 0.00 0.50 0.00 0.00 46.19 43.15 3des s LEU 286 CO 0.37 -0.57 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.25 3des s LYS 287 N -1.85 2.09 0.15 1.98 1.02 -0.72 -4.60 119.74 117.80 3des s LYS 287 Ca 0.50 -1.62 0.06 0.00 0.02 0.00 0.00 55.97 54.93 3des s LYS 287 Cb -0.40 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 3des s LYS 287 CO 0.53 0.27 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.58 3des s LEU 288 N -3.66 2.46 0.03 3.17 1.43 -1.26 -2.22 118.68 118.63 3des s LEU 288 Ca 0.33 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3des s LEU 288 Cb -0.04 -0.56 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 3des s LEU 288 CO 0.19 -0.18 -0.04 0.00 0.23 0.00 0.00 176.35 176.55 3des s MET 289 N -3.08 0.40 -0.06 1.70 0.23 -0.95 -0.96 119.30 116.58 3des s MET 289 Ca 0.14 -0.72 0.04 0.00 -1.03 0.00 0.00 55.69 54.12 3des s MET 289 Cb -0.03 0.03 -0.02 0.00 -1.53 0.00 0.00 34.83 33.28 3des s MET 289 CO 0.04 -0.04 -0.19 -1.50 -2.03 0.00 0.00 175.02 171.30 3des s ILE 290 N -1.76 2.62 0.00 3.16 2.07 -0.91 -0.98 121.20 125.39 3des s ILE 290 Ca -0.12 -0.87 0.00 0.00 -1.41 0.00 0.00 60.65 58.25 3des s ILE 290 Cb -0.08 -2.00 0.00 0.00 0.13 0.00 0.00 42.46 40.51 3des s ILE 290 CO -0.02 0.57 0.00 0.61 -1.91 0.00 0.00 174.94 174.20 3des n GLY 291 N 2.67 5.62 3.53 1.50 0.00 0.09 -0.13 105.19 118.48 3des n GLY 291 Ca -0.17 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 3des n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3des n MET 293 N -0.55 0.00 -1.34 0.00 2.81 -1.26 -4.99 117.12 111.78 3des n MET 293 Ca -0.00 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.75 3des n MET 293 Cb 0.61 0.00 0.11 0.00 -0.71 0.00 0.00 33.22 33.24 3des n MET 293 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3des n GLY 294 N 5.00 5.72 3.76 3.03 0.00 -1.26 -4.71 105.19 116.72 3des n GLY 294 Ca 0.00 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 3des n GLY 294 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3des s GLU 295 N -3.46 3.71 0.37 1.61 8.01 -1.26 -4.88 118.70 122.80 3des s GLU 295 Ca 0.48 2.03 -0.03 0.00 0.01 0.00 0.00 54.97 57.46 3des s GLU 295 Cb 0.41 -2.52 0.08 0.00 -4.31 0.00 0.00 34.13 27.79 3des s GLU 295 CO -0.00 -0.67 0.50 -1.13 0.01 0.00 0.00 175.26 173.98 3des n SER 296 N -0.35 0.43 -0.34 -0.19 3.41 -1.26 -2.92 113.62 112.39 3des n SER 296 Ca 0.06 -1.42 0.04 0.00 -0.26 0.00 0.00 58.87 57.30 3des n SER 296 Cb 0.46 -0.35 0.20 0.00 -0.26 0.00 0.00 64.21 64.25 3des n SER 296 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3des h SER 297 N -0.45 0.87 -0.76 4.04 4.64 -1.94 0.52 113.55 120.47 3des h SER 297 Ca -0.17 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 3des h SER 297 Cb 0.55 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 3des h SER 297 CO 0.15 0.50 0.45 0.25 -0.87 0.00 0.00 176.83 177.31 3des h LEU 298 N 0.98 0.93 -0.30 5.97 5.85 -1.94 -1.57 115.31 125.22 3des h LEU 298 Ca 0.45 -0.07 -0.19 0.00 0.84 0.00 0.00 57.88 58.90 3des h LEU 298 Cb 0.36 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3des h LEU 298 CO -0.23 0.73 -0.58 1.23 -0.34 0.00 0.00 178.44 179.24 3des h GLY 299 N 1.04 0.91 1.82 3.75 0.00 -1.59 -3.09 103.07 105.92 3des h GLY 299 Ca 0.27 -1.10 -0.05 0.00 0.00 0.00 0.00 47.33 46.45 3des h GLY 299 CO -0.05 0.98 -0.16 1.19 0.00 0.00 0.00 176.54 178.51 3des h ILE 300 N 0.63 1.19 -0.96 2.60 6.09 -0.75 -2.34 117.51 123.97 3des h ILE 300 Ca 0.00 -0.84 0.19 0.00 -1.37 0.00 0.00 64.86 62.84 3des h ILE 300 Cb 1.19 1.26 -0.09 0.00 0.47 0.00 0.00 36.82 39.66 3des h ILE 300 CO 0.13 0.26 0.61 -1.13 -3.07 0.00 0.00 178.15 174.94 3des h ASN 301 N 0.21 0.64 -0.75 2.19 -1.24 -1.20 0.84 115.58 116.27 3des h ASN 301 Ca 0.04 0.07 0.03 0.00 0.71 0.00 0.00 56.30 57.14 3des h ASN 301 Cb 0.41 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 39.36 3des h ASN 301 CO 0.03 0.26 0.48 1.56 -1.29 0.00 0.00 177.43 178.46 3des h GLN 302 N 0.64 0.92 -0.00 6.67 4.20 -1.51 -1.75 115.11 124.27 3des h GLN 302 Ca 0.52 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.98 3des h GLN 302 Cb 0.96 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 3des h GLN 302 CO -0.27 0.61 -0.86 0.77 -0.67 0.00 0.00 178.83 178.41 3des h SER 303 N 0.95 0.28 -0.05 1.46 0.02 -1.02 -2.59 113.55 112.60 3des h SER 303 Ca 0.30 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3des h SER 303 Cb -0.01 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 3des h SER 303 CO -0.10 1.01 0.03 0.58 -1.14 0.00 0.00 176.83 177.20 3des h VAL 304 N 0.12 1.09 -0.52 2.27 2.07 -0.71 0.84 116.25 121.41 3des h VAL 304 Ca -0.04 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 3des h VAL 304 Cb 1.47 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 3des h VAL 304 CO 0.13 0.07 0.08 0.45 0.02 0.00 0.00 177.57 178.32 3des h HIS 305 N -0.02 0.86 -0.43 1.57 -0.00 -1.39 0.03 115.15 115.78 3des h HIS 305 Ca 0.02 -0.10 -0.03 0.00 -0.00 0.00 0.00 60.37 60.26 3des h HIS 305 Cb 0.10 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.24 3des h HIS 305 CO -0.04 0.76 0.15 0.35 -0.00 0.00 0.00 177.93 179.15 3des h PHE 306 N 0.79 0.67 -0.32 2.45 3.57 -1.17 -0.24 116.94 122.69 3des h PHE 306 Ca 0.16 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 3des h PHE 306 Cb 0.36 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3des h PHE 306 CO 0.02 0.60 -0.12 0.00 -2.23 0.00 0.00 178.31 176.58 3des h ALA 307 N 1.00 0.45 -0.60 2.41 0.00 -0.45 -1.79 119.26 120.28 3des h ALA 307 Ca 0.14 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3des h ALA 307 Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3des h ALA 307 CO -0.01 0.32 0.15 -0.07 0.00 0.00 0.00 179.25 179.64 3des h LEU 308 N 0.42 0.91 0.17 0.00 3.38 -0.93 0.12 115.31 119.37 3des h LEU 308 Ca 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3des h LEU 308 Cb 0.64 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3des h LEU 308 CO 0.04 0.90 -0.08 1.23 0.09 0.00 0.00 178.44 180.63 3des h GLY 309 N 0.87 -0.23 2.00 0.83 0.00 -0.99 0.56 103.07 106.11 3des h GLY 309 Ca 0.19 0.09 -0.19 0.00 0.00 0.00 0.00 47.33 47.41 3des h GLY 309 CO 0.00 -0.08 -0.92 -0.91 0.00 0.00 0.00 176.54 174.63 3des h THR 310 N -0.53 1.59 -3.46 4.70 1.35 -1.38 -1.33 112.91 113.85 3des h THR 310 Ca -0.02 -3.21 -0.29 0.00 -0.55 0.00 0.00 66.41 62.33 3des h THR 310 Cb 0.41 2.77 -0.02 0.00 -1.73 0.00 0.00 68.15 69.57 3des h THR 310 CO 0.04 0.90 -0.37 0.61 -0.25 0.00 0.00 175.52 176.45 3des n GLY 311 N 1.29 -0.37 0.35 5.82 0.00 0.40 -4.84 105.19 107.84 3des n GLY 311 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3des n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3des n ALA 312 N -1.98 2.68 -2.75 4.61 0.00 -1.26 -4.95 120.51 116.87 3des n ALA 312 Ca -0.17 -0.39 -0.34 0.00 0.00 0.00 0.00 53.44 52.54 3des n ALA 312 Cb 0.62 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.74 3des n ALA 312 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3des s PHE 313 N -2.12 3.03 0.14 0.00 0.08 -1.26 -4.44 117.98 113.40 3des s PHE 313 Ca 0.36 -0.06 0.03 0.00 0.12 0.00 0.00 56.93 57.38 3des s PHE 313 Cb 0.21 -1.83 -0.11 0.00 -0.57 0.00 0.00 43.02 40.72 3des s PHE 313 CO 0.38 0.22 1.31 0.93 -0.10 0.00 0.00 175.22 177.96 3des h GLU 314 N 5.80 0.14 -4.02 0.44 4.39 -1.42 -3.46 114.58 116.44 3des h GLU 314 Ca -0.42 -0.19 -0.16 0.00 0.34 0.00 0.00 59.36 58.94 3des h GLU 314 Cb 1.18 0.06 -0.19 0.00 -0.10 0.00 0.00 28.75 29.70 3des h GLU 314 CO 0.57 1.01 -0.68 -0.06 -1.16 0.00 0.00 179.01 178.69 3des s PHE 315 N -2.95 0.31 -0.09 4.33 0.08 -1.25 -5.06 117.98 113.36 3des s PHE 315 Ca -0.02 -0.65 0.02 0.00 0.12 0.00 0.00 56.93 56.40 3des s PHE 315 Cb 0.10 -0.23 0.02 0.00 -0.57 0.00 0.00 43.02 42.33 3des s PHE 315 CO 0.83 -0.25 -0.13 -1.01 -0.10 0.00 0.00 175.22 174.57 3des s HIS 316 N -2.10 1.72 -0.68 0.36 3.76 -1.25 -2.15 115.29 114.95 3des s HIS 316 Ca -0.10 -0.75 0.05 0.00 -0.15 0.00 0.00 55.06 54.11 3des s HIS 316 Cb -0.05 -1.27 0.20 0.00 1.11 0.00 0.00 32.58 32.57 3des s HIS 316 CO -0.03 -0.41 0.60 -3.47 -0.85 0.00 0.00 174.74 170.58 3des n ASP 317 N 4.15 3.32 -3.25 1.40 2.03 0.81 -1.21 116.55 123.81 3des n ASP 317 Ca -0.19 -3.31 -0.27 0.00 0.52 0.00 0.00 54.79 51.54 3des n ASP 317 Cb 0.51 -0.72 -0.07 0.00 -0.72 0.00 0.00 41.12 40.12 3des n ASP 317 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3des n LEU 318 N 1.51 3.93 -0.06 -2.67 4.77 -1.26 -2.82 117.00 120.39 3des n LEU 318 Ca 0.24 -5.51 0.01 0.00 -0.03 0.00 0.00 56.01 50.71 3des n LEU 318 Cb 0.37 -0.59 0.01 0.00 -2.33 0.00 0.00 43.42 40.88 3des n LEU 318 CO 0.32 2.16 0.39 -0.90 -1.33 0.00 0.00 177.39 178.04 3des n ASP 319 N 0.47 1.61 -0.33 -1.43 5.75 -1.26 -4.74 116.55 116.62 3des n ASP 319 Ca 0.30 -1.52 0.03 0.00 -0.01 0.00 0.00 54.79 53.59 3des n ASP 319 Cb 0.41 -0.01 0.18 0.00 -1.03 0.00 0.00 41.12 40.66 3des n ASP 319 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3des h SER 320 N 0.25 0.83 0.47 -1.12 4.64 -1.84 0.52 113.55 117.30 3des h SER 320 Ca 0.00 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 3des h SER 320 Cb 0.29 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3des h SER 320 CO 0.00 0.49 -0.13 1.12 -0.87 0.00 0.00 176.83 177.44 3des h HIS 321 N 0.95 0.00 0.00 4.77 2.07 -1.81 -0.82 115.15 120.31 3des h HIS 321 Ca 0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.94 3des h HIS 321 Cb 0.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.30 3des h HIS 321 CO -0.03 0.13 0.00 -0.07 -3.07 0.00 0.00 177.93 174.89 3des h LEU 322 N 0.00 0.00 -0.05 6.12 3.38 -1.23 -3.17 115.31 120.36 3des h LEU 322 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3des h LEU 322 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3des h LEU 322 CO 0.02 0.00 -0.77 0.23 0.09 0.00 0.00 178.44 178.01 3des n MET 323 N -2.89 0.07 -4.06 1.13 2.81 -0.34 -4.94 117.12 108.90 3des n MET 323 Ca 0.03 -0.05 -0.30 0.00 -1.81 0.00 0.00 57.70 55.56 3des n MET 323 Cb 0.42 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.37 3des n MET 323 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3des s LEU 324 N -2.96 3.75 0.06 4.03 1.43 -1.02 -1.50 118.68 122.47 3des s LEU 324 Ca 0.10 -0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 3des s LEU 324 Cb 0.17 -2.44 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 3des s LEU 324 CO 0.78 0.17 1.03 -0.54 0.23 0.00 0.00 176.35 178.02 3des s LYS 325 N -2.38 4.58 -0.16 1.70 1.02 0.54 -4.86 119.74 120.17 3des s LYS 325 Ca 0.29 1.52 -0.05 0.00 0.02 0.00 0.00 55.97 57.75 3des s LYS 325 Cb -0.12 -3.40 0.08 0.00 -0.52 0.00 0.00 37.83 33.87 3des s LYS 325 CO 0.21 0.00 0.31 -2.00 -0.92 0.00 0.00 175.35 172.95 3des s GLU 326 N 0.58 0.21 0.08 1.68 2.12 -1.26 -4.39 118.70 117.71 3des s GLU 326 Ca 0.51 0.78 -0.30 0.00 0.36 0.00 0.00 54.97 56.32 3des s GLU 326 Cb -0.24 -0.04 -0.17 0.00 0.26 0.00 0.00 34.13 33.94 3des s GLU 326 CO 0.29 -0.32 1.65 0.93 -0.54 0.00 0.00 175.26 177.27 3des h GLU 327 N 8.25 -0.66 -5.61 4.30 5.08 -2.03 -3.42 114.58 120.49 3des h GLU 327 Ca -0.15 0.04 -0.68 0.00 -1.00 0.00 0.00 59.36 57.58 3des h GLU 327 Cb 1.12 0.15 -0.30 0.00 0.50 0.00 0.00 28.75 30.22 3des h GLU 327 CO 0.15 -0.44 -0.84 0.54 -1.00 0.00 0.00 179.01 177.42 3des s VAL 328 N -6.08 2.41 0.18 3.13 0.11 -1.26 -5.10 120.40 113.79 3des s VAL 328 Ca -0.16 -0.91 -0.31 0.00 -2.93 0.00 0.00 61.98 57.67 3des s VAL 328 Cb 0.04 -1.94 -0.09 0.00 -1.53 0.00 0.00 36.38 32.87 3des s VAL 328 CO 0.63 0.56 1.39 0.12 -3.33 0.00 0.00 175.10 174.47 3des s PHE 329 N 0.11 3.18 -0.03 1.54 5.36 -1.26 -4.94 117.98 121.93 3des s PHE 329 Ca -0.10 1.04 0.04 0.00 -0.96 0.00 0.00 56.93 56.95 3des s PHE 329 Cb -0.16 -3.71 0.07 0.00 -0.34 0.00 0.00 43.02 38.88 3des s PHE 329 CO 0.06 -2.36 0.97 0.54 -1.46 0.00 0.00 175.22 172.97 3des n ARG 330 N 3.07 2.03 -2.86 10.12 1.74 -1.26 -5.06 116.66 124.45 3des n ARG 330 Ca 0.09 -1.59 -0.32 0.00 -0.77 0.00 0.00 57.85 55.26 3des n ARG 330 Cb 0.42 -1.02 -0.05 0.00 -1.02 0.00 0.00 32.46 30.79 3des n ARG 330 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3des s GLY 331 N -1.30 2.15 -0.57 -0.13 0.00 -1.26 -4.35 107.32 101.86 3des s GLY 331 Ca 0.07 0.03 -0.03 0.00 0.00 0.00 0.00 44.72 44.79 3des s GLY 331 CO 0.01 0.25 2.36 0.28 0.00 0.00 0.00 173.10 175.99 3des n LYS 332 N -0.96 2.45 -3.83 2.90 5.02 -1.26 -4.87 118.16 117.61 3des n LYS 332 Ca 0.04 -2.69 -0.10 0.00 -2.02 0.00 0.00 58.31 53.55 3des n LYS 332 Cb 0.54 -2.12 -0.06 0.00 -0.02 0.00 0.00 35.03 33.37 3des n LYS 332 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3des s PHE 333 N -2.68 0.12 -0.10 2.13 -0.12 -1.26 -4.56 117.98 111.51 3des s PHE 333 Ca 0.54 -0.49 -0.03 0.00 -0.05 0.00 0.00 56.93 56.90 3des s PHE 333 Cb 0.40 0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 3des s PHE 333 CO -0.22 -0.74 0.03 0.42 -0.05 0.00 0.00 175.22 174.66 3des s ILE 334 N -3.90 4.58 -0.07 -4.49 1.01 0.11 -4.95 121.20 113.50 3des s ILE 334 Ca 0.11 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.65 3des s ILE 334 Cb 0.02 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.54 3des s ILE 334 CO -0.04 0.59 -0.16 -1.58 0.00 0.00 0.00 174.94 173.75 3des s GLN 335 N -0.78 2.04 -0.38 2.79 0.74 -1.26 -0.91 119.66 121.90 3des s GLN 335 Ca 0.12 -0.56 0.01 0.00 0.05 0.00 0.00 55.36 54.98 3des s GLN 335 Cb -0.12 -1.65 0.14 0.00 1.10 0.00 0.00 33.01 32.48 3des s GLN 335 CO 0.02 0.11 0.22 0.34 -0.55 0.00 0.00 175.29 175.43 3des s ASP 336 N 0.46 3.27 1.33 6.67 2.15 -0.20 -5.02 116.67 125.33 3des s ASP 336 Ca -0.14 -2.31 0.00 0.00 0.43 0.00 0.00 52.55 50.53 3des s ASP 336 Cb -0.16 -0.65 0.00 0.00 -0.30 0.00 0.00 42.92 41.82 3des s ASP 336 CO 0.05 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 3des n GLY 337 N 3.91 2.34 0.26 2.66 0.00 -1.26 -1.90 105.19 111.20 3des n GLY 337 Ca 0.10 -0.39 0.16 0.00 0.00 0.00 0.00 46.02 45.89 3des n GLY 337 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3des h PRO 338 N 0.00 0.00 -6.83 1.61 0.13 -1.85 -3.45 132.00 121.61 3des h PRO 338 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 3des h PRO 338 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 3des h PRO 338 CO 0.00 0.00 0.46 1.03 -0.23 0.00 0.00 178.00 179.26 3des s ARG 339 N -3.57 4.56 -0.04 0.86 0.52 -0.80 -0.98 118.95 119.50 3des s ARG 339 Ca 0.02 1.73 -0.01 0.00 -0.52 0.00 0.00 55.73 56.96 3des s ARG 339 Cb 0.08 -3.07 0.03 0.00 0.52 0.00 0.00 34.95 32.51 3des s ARG 339 CO 0.56 0.16 0.02 -1.64 0.02 0.00 0.00 175.30 174.42 3des s MET 340 N -1.63 0.21 0.39 3.54 -1.94 -0.26 -1.04 119.30 118.58 3des s MET 340 Ca 0.47 0.17 0.04 0.00 -1.71 0.00 0.00 55.69 54.66 3des s MET 340 Cb -0.30 -0.54 -0.03 0.00 2.01 0.00 0.00 34.83 35.97 3des s MET 340 CO 0.38 -0.22 0.13 1.03 -0.01 0.00 0.00 175.02 176.34 3des s ARG 341 N 1.47 1.86 0.29 2.03 0.52 -0.09 -1.80 118.95 123.22 3des s ARG 341 Ca -0.04 -2.12 0.10 0.00 -0.52 0.00 0.00 55.73 53.16 3des s ARG 341 Cb -0.13 -0.54 -0.05 0.00 0.52 0.00 0.00 34.95 34.75 3des s ARG 341 CO -0.03 -0.46 -0.07 0.54 0.02 0.00 0.00 175.30 175.31 3des s VAL 342 N -3.27 2.94 -2.00 3.52 0.11 -1.26 0.09 120.40 120.54 3des s VAL 342 Ca 0.27 -2.10 0.00 0.00 -2.93 0.00 0.00 61.98 57.23 3des s VAL 342 Cb 0.03 -2.65 0.01 0.00 -1.53 0.00 0.00 36.38 32.25 3des s VAL 342 CO 0.15 -0.35 0.53 0.29 -3.33 0.00 0.00 175.10 172.39