#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 4.19 -0.32 0.55 1.01 -0.60 -0.17 121.20 125.86 3des s ILE 4 Ca 0.00 1.53 0.07 0.00 0.00 0.00 0.00 60.65 62.25 3des s ILE 4 Cb 0.00 -3.99 -0.08 0.00 0.01 0.00 0.00 42.46 38.40 3des s ILE 4 CO 0.00 0.03 0.29 1.33 0.00 0.00 0.00 174.94 176.60 3des n VAL 5 N 4.43 0.00 -3.57 2.92 0.24 0.48 0.38 118.33 123.21 3des n VAL 5 Ca 0.10 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.34 61.94 3des n VAL 5 Cb 0.46 0.96 -0.06 0.00 -1.47 0.00 0.00 33.84 33.73 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 -1.74 -0.55 -0.06 -1.34 2.47 -1.13 -4.97 114.94 107.62 3des s ASN 6 Ca 0.02 0.71 -0.01 0.00 0.42 0.00 0.00 52.86 54.01 3des s ASN 6 Cb 0.05 0.61 0.03 0.00 -1.45 0.00 0.00 41.25 40.49 3des s ASN 6 CO 0.29 -0.42 -0.00 -0.69 -3.72 0.00 0.00 177.10 172.56 3des s VAL 7 N -0.81 0.35 -0.07 -5.21 1.01 -1.26 -0.96 120.40 113.45 3des s VAL 7 Ca -0.05 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.08 3des s VAL 7 Cb -0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 3des s VAL 7 CO 0.04 0.23 -0.23 -0.54 0.00 0.00 0.00 175.10 174.60 3des s LYS 8 N 1.69 2.68 -0.10 2.72 1.02 0.44 -4.86 119.74 123.33 3des s LYS 8 Ca 0.00 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 55.13 3des s LYS 8 Cb -0.13 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 3des s LYS 8 CO -0.04 0.36 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.11 3des s LEU 9 N -0.09 2.75 -0.01 3.17 1.02 -1.26 -0.90 118.68 123.37 3des s LEU 9 Ca -0.05 -0.26 0.01 0.00 0.02 0.00 0.00 54.13 53.84 3des s LEU 9 Cb -0.14 -1.59 0.00 0.00 0.02 0.00 0.00 46.19 44.48 3des s LEU 9 CO 0.04 0.25 -0.02 -0.44 0.02 0.00 0.00 176.35 176.20 3des s SER 10 N -0.13 0.26 0.02 2.29 0.01 0.05 -4.93 113.70 111.27 3des s SER 10 Ca -0.01 -0.03 -0.30 0.00 1.31 0.00 0.00 55.95 56.92 3des s SER 10 Cb -0.14 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 3des s SER 10 CO 0.03 -0.00 1.04 -0.22 0.41 0.00 0.00 173.24 174.51 3des s LEU 11 N 0.17 4.37 -0.09 2.44 2.96 -1.26 0.46 118.68 127.73 3des s LEU 11 Ca -0.01 1.77 -0.01 0.00 -0.22 0.00 0.00 54.13 55.65 3des s LEU 11 Cb -0.03 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.11 3des s LEU 11 CO -0.00 -0.32 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.14 3des s LYS 12 N 1.00 1.03 -0.12 1.98 -0.14 -0.21 -4.92 119.74 118.35 3des s LYS 12 Ca 0.54 -0.07 -0.06 0.00 -1.36 0.00 0.00 55.97 55.02 3des s LYS 12 Cb -0.24 -1.27 -0.04 0.00 -1.68 0.00 0.00 37.83 34.61 3des s LYS 12 CO 0.28 -0.29 0.10 1.03 -0.76 0.00 0.00 175.35 175.71 3des s ARG 13 N 1.85 3.44 -0.01 1.68 0.52 -1.26 -1.15 118.95 124.00 3des s ARG 13 Ca 0.05 -0.22 0.03 0.00 -0.52 0.00 0.00 55.73 55.07 3des s ARG 13 Cb -0.12 -3.12 -0.00 0.00 0.52 0.00 0.00 34.95 32.22 3des s ARG 13 CO -0.07 0.68 -0.10 0.71 0.02 0.00 0.00 175.30 176.55 3des s TYR 14 N -0.78 0.95 -0.13 -0.53 2.02 -0.31 -4.99 117.35 113.58 3des s TYR 14 Ca 0.13 -0.20 -0.08 0.00 -0.37 0.00 0.00 57.07 56.55 3des s TYR 14 Cb -0.12 -0.64 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 3des s TYR 14 CO 0.03 -0.05 0.16 -2.00 -1.57 0.00 0.00 175.55 172.12 3des s GLU 15 N -0.09 3.65 0.41 -0.62 2.12 -1.26 -0.08 118.70 122.84 3des s GLU 15 Ca 0.01 -0.12 -0.23 0.00 0.36 0.00 0.00 54.97 55.00 3des s GLU 15 Cb -0.06 -3.25 -0.10 0.00 0.26 0.00 0.00 34.13 30.99 3des s GLU 15 CO -0.00 0.65 0.99 0.71 -0.54 0.00 0.00 175.26 177.07 3des s TYR 16 N -0.68 3.32 0.28 5.30 2.02 -0.86 0.44 117.35 127.17 3des s TYR 16 Ca 0.14 1.65 0.03 0.00 -0.37 0.00 0.00 57.07 58.52 3des s TYR 16 Cb -0.12 -2.98 0.66 0.00 -0.40 0.00 0.00 41.96 39.12 3des s TYR 16 CO 0.03 -0.31 1.76 0.93 -1.57 0.00 0.00 175.55 176.39 3des h GLU 17 N 2.25 0.63 -3.01 -0.62 4.39 -1.54 -3.43 114.58 113.24 3des h GLU 17 Ca -0.48 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.12 3des h GLU 17 Cb 1.20 -0.14 -0.15 0.00 -0.10 0.00 0.00 28.75 29.56 3des h GLU 17 CO 0.62 0.41 -0.01 -1.59 -1.16 0.00 0.00 179.01 177.28 3des s LYS 18 N -5.91 1.03 -0.04 2.33 -2.85 -1.26 -5.08 119.74 107.97 3des s LYS 18 Ca -0.12 -0.40 -0.40 0.00 -1.00 0.00 0.00 55.97 54.05 3des s LYS 18 Cb 0.24 0.47 -0.19 0.00 -2.06 0.00 0.00 37.83 36.29 3des s LYS 18 CO 0.79 -0.39 1.27 -2.30 0.10 0.00 0.00 175.35 174.82 3des n PRO 19 N 0.21 0.50 -3.45 1.78 -0.02 -1.26 -4.89 135.00 127.86 3des n PRO 19 Ca -0.18 0.18 -0.40 0.00 -2.02 0.00 0.00 63.50 61.08 3des n PRO 19 Cb 0.61 -1.74 -0.10 0.00 -0.02 0.00 0.00 33.50 32.25 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 0.73 3.22 -0.19 6.00 5.36 0.23 -4.90 117.98 128.44 3des s PHE 20 Ca 0.91 0.02 -0.02 0.00 -0.96 0.00 0.00 56.93 56.88 3des s PHE 20 Cb -1.16 -2.58 -0.01 0.00 -0.34 0.00 0.00 43.02 38.93 3des s PHE 20 CO 0.56 -0.35 -0.09 -1.58 -1.46 0.00 0.00 175.22 172.31 3des s HIS 21 N 1.93 2.90 0.25 10.12 5.65 -1.26 -0.66 115.29 134.21 3des s HIS 21 Ca 0.10 -0.89 0.02 0.00 0.25 0.00 0.00 55.06 54.54 3des s HIS 21 Cb -0.17 -2.00 -0.05 0.00 -1.18 0.00 0.00 32.58 29.18 3des s HIS 21 CO 0.11 -0.45 0.06 0.96 -0.65 0.00 0.00 174.74 174.77 3des s ILE 22 N 1.06 0.75 -0.32 0.89 -4.36 -0.01 -0.72 121.20 118.48 3des s ILE 22 Ca 0.00 -2.00 -0.42 0.00 -0.26 0.00 0.00 60.65 57.97 3des s ILE 22 Cb -0.15 -2.53 -0.17 0.00 1.25 0.00 0.00 42.46 40.86 3des s ILE 22 CO -0.01 -0.13 1.68 0.41 0.24 0.00 0.00 174.94 177.13 3des n THR 23 N -0.46 0.21 -1.89 8.37 -1.04 -1.26 -1.02 114.28 117.19 3des n THR 23 Ca -0.02 -0.04 -0.17 0.00 -2.04 0.00 0.00 64.05 61.78 3des n THR 23 Cb 0.65 -0.99 -0.04 0.00 -1.82 0.00 0.00 70.33 68.13 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 4.04 0.73 3.64 3.41 0.00 -1.26 -4.99 105.19 110.76 3des n GLY 24 Ca 0.27 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.54 -0.65 -0.07 1.61 0.15 -0.19 -5.14 113.70 106.86 3des s SER 25 Ca 0.00 1.17 0.00 0.00 0.70 0.00 0.00 55.95 57.82 3des s SER 25 Cb 0.00 1.22 0.02 0.00 -1.71 0.00 0.00 66.02 65.55 3des s SER 25 CO 0.00 -0.20 -0.04 -0.69 1.20 0.00 0.00 173.24 173.51 3des s VAL 26 N 0.75 0.63 -0.01 4.45 1.01 -1.26 -0.83 120.40 125.13 3des s VAL 26 Ca -0.02 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.89 3des s VAL 26 Cb -0.05 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 3des s VAL 26 CO -0.08 0.27 -0.16 -0.44 0.00 0.00 0.00 175.10 174.69 3des s SER 27 N 1.35 1.87 0.00 3.32 0.01 0.16 -4.94 113.70 115.47 3des s SER 27 Ca -0.04 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.93 3des s SER 27 Cb -0.14 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.89 3des s SER 27 CO -0.03 0.19 0.12 -1.54 0.41 0.00 0.00 173.24 172.40 3des n SER 28 N 2.67 0.25 -4.00 2.44 3.41 -1.26 0.78 113.62 117.91 3des n SER 28 Ca -0.15 -0.61 -0.11 0.00 -0.26 0.00 0.00 58.87 57.74 3des n SER 28 Cb 0.54 0.70 -0.12 0.00 -0.26 0.00 0.00 64.21 65.08 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 -0.70 0.37 -0.20 4.33 2.12 -1.26 -2.02 118.70 121.34 3des s GLU 29 Ca 0.00 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 54.74 3des s GLU 29 Cb 0.00 -0.06 0.04 0.00 0.26 0.00 0.00 34.13 34.37 3des s GLU 29 CO 0.00 -0.00 -0.10 0.45 -0.54 0.00 0.00 175.26 175.07 3des s SER 30 N -1.34 3.41 -0.40 -1.70 0.15 0.89 -4.94 113.70 109.75 3des s SER 30 Ca -0.12 -0.90 -0.15 0.00 0.70 0.00 0.00 55.95 55.49 3des s SER 30 Cb -0.09 -1.23 0.02 0.00 -1.71 0.00 0.00 66.02 63.01 3des s SER 30 CO -0.00 -0.15 0.29 -0.13 1.20 0.00 0.00 173.24 174.45 3des s ARG 31 N 1.40 2.97 0.36 5.44 1.81 -1.26 -1.16 118.95 128.51 3des s ARG 31 Ca -0.01 -1.02 0.08 0.00 -1.72 0.00 0.00 55.73 53.06 3des s ARG 31 Cb -0.16 -3.95 -0.05 0.00 -0.45 0.00 0.00 34.95 30.34 3des s ARG 31 CO -0.08 -0.74 0.13 -0.80 -0.68 0.00 0.00 175.30 173.13 3des s ASN 32 N 1.67 4.50 -0.22 0.23 0.01 -0.30 -4.46 114.94 116.37 3des s ASN 32 Ca 0.05 -0.91 0.02 0.00 -0.71 0.00 0.00 52.86 51.30 3des s ASN 32 Cb -0.19 -0.61 0.04 0.00 0.41 0.00 0.00 41.25 40.91 3des s ASN 32 CO 0.10 -0.37 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.50 3des s VAL 33 N -2.50 1.92 0.16 1.60 1.01 0.04 -1.05 120.40 121.58 3des s VAL 33 Ca 0.38 -1.21 -0.27 0.00 0.00 0.00 0.00 61.98 60.89 3des s VAL 33 Cb -0.00 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 34.36 3des s VAL 33 CO 0.22 0.19 0.84 -0.70 0.00 0.00 0.00 175.10 175.65 3des s GLU 34 N 1.27 4.65 -0.10 2.72 2.12 0.17 -0.65 118.70 128.89 3des s GLU 34 Ca -0.02 1.26 0.04 0.00 0.36 0.00 0.00 54.97 56.61 3des s GLU 34 Cb -0.17 -3.29 -0.00 0.00 0.26 0.00 0.00 34.13 30.93 3des s GLU 34 CO -0.08 0.49 -0.23 0.08 -0.54 0.00 0.00 175.26 174.97 3des s VAL 35 N -0.90 2.18 -0.08 3.70 1.01 0.19 -0.77 120.40 125.73 3des s VAL 35 Ca 0.39 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3des s VAL 35 Cb -0.24 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.32 3des s VAL 35 CO 0.28 0.56 -0.16 -0.70 0.00 0.00 0.00 175.10 175.08 3des s GLU 36 N 0.30 2.12 -0.11 2.72 2.12 -0.08 -0.74 118.70 125.03 3des s GLU 36 Ca -0.17 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 54.61 3des s GLU 36 Cb -0.17 -1.68 -0.02 0.00 0.26 0.00 0.00 34.13 32.52 3des s GLU 36 CO 0.08 0.08 -0.14 0.42 -0.54 0.00 0.00 175.26 175.16 3des s ILE 37 N 0.56 3.01 -0.12 -3.70 1.01 -0.13 -0.42 121.20 121.41 3des s ILE 37 Ca -0.16 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.81 3des s ILE 37 Cb -0.16 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 3des s ILE 37 CO 0.05 0.54 -0.16 -0.69 0.00 0.00 0.00 174.94 174.68 3des s VAL 38 N 0.14 2.76 0.24 2.92 1.01 -0.13 -0.76 120.40 126.58 3des s VAL 38 Ca -0.07 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3des s VAL 38 Cb -0.15 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3des s VAL 38 CO 0.05 0.54 0.41 -0.76 0.00 0.00 0.00 175.10 175.33 3des s LEU 39 N 0.33 4.22 0.53 3.92 1.02 -0.16 -0.39 118.68 128.15 3des s LEU 39 Ca -0.13 0.28 0.19 0.00 0.02 0.00 0.00 54.13 54.49 3des s LEU 39 Cb -0.16 -3.08 1.39 0.00 0.02 0.00 0.00 46.19 44.35 3des s LEU 39 CO 0.07 -0.10 2.17 1.05 0.02 0.00 0.00 176.35 179.55 3des h GLU 40 N 1.45 0.00 0.00 1.70 4.11 -0.89 0.27 114.58 121.21 3des h GLU 40 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 3des h GLU 40 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3des h GLU 40 CO 0.64 0.00 0.00 0.66 0.07 0.00 0.00 179.01 180.39 3des h SER 41 N 0.00 0.00 0.00 3.06 4.64 -1.94 -3.46 113.55 115.85 3des h SER 41 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3des h SER 41 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3des h SER 41 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3des n GLY 42 N -0.16 1.55 3.77 -0.77 0.00 0.08 -5.08 105.19 104.59 3des n GLY 42 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.21 2.57 -0.09 1.61 1.01 -1.26 -4.76 120.40 117.28 3des s VAL 43 Ca 0.00 0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.51 3des s VAL 43 Cb 0.00 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 33.09 3des s VAL 43 CO 0.00 0.07 -0.15 -0.54 0.00 0.00 0.00 175.10 174.49 3des s LYS 44 N -2.27 2.05 0.05 2.72 1.02 -1.26 -0.99 119.74 121.05 3des s LYS 44 Ca 0.57 -0.52 0.03 0.00 0.02 0.00 0.00 55.97 56.08 3des s LYS 44 Cb -0.38 -1.70 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 3des s LYS 44 CO 0.49 -0.00 -0.01 0.20 -0.92 0.00 0.00 175.35 175.12 3des s GLY 45 N 0.79 1.89 0.01 -3.33 0.00 0.06 -4.67 107.32 102.06 3des s GLY 45 Ca -0.11 -1.04 0.05 0.00 0.00 0.00 0.00 44.72 43.61 3des s GLY 45 CO 0.02 -0.96 -0.15 -0.19 0.00 0.00 0.00 173.10 171.82 3des s TYR 46 N -1.19 1.32 0.22 1.90 2.02 -1.26 -0.95 117.35 119.40 3des s TYR 46 Ca 0.22 -0.29 -0.03 0.00 -0.37 0.00 0.00 57.07 56.61 3des s TYR 46 Cb -0.12 -0.82 -0.03 0.00 -0.40 0.00 0.00 41.96 40.59 3des s TYR 46 CO 0.14 0.00 0.23 0.20 -1.57 0.00 0.00 175.55 174.55 3des s GLY 47 N -0.63 1.28 -0.06 0.71 0.00 0.08 -4.09 107.32 104.60 3des s GLY 47 Ca 0.05 -1.52 -0.04 0.00 0.00 0.00 0.00 44.72 43.21 3des s GLY 47 CO 0.00 -1.21 0.14 1.85 0.00 0.00 0.00 173.10 173.87 3des s GLU 48 N -4.06 0.12 -0.15 2.90 2.12 -1.26 -0.64 118.70 117.72 3des s GLU 48 Ca 0.35 0.27 -0.04 0.00 0.36 0.00 0.00 54.97 55.91 3des s GLU 48 Cb 0.05 -0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.35 3des s GLU 48 CO 0.12 -0.09 -0.01 0.00 -0.54 0.00 0.00 175.26 174.74 3des s ALA 49 N 0.62 3.14 -0.67 6.30 0.00 0.18 -4.40 121.76 126.93 3des s ALA 49 Ca -0.05 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.17 3des s ALA 49 Cb -0.06 -1.64 0.17 0.00 0.00 0.00 0.00 23.12 21.58 3des s ALA 49 CO -0.03 0.25 0.47 0.45 0.00 0.00 0.00 175.76 176.90 3des s SER 50 N 0.21 4.51 0.57 0.00 0.15 -1.26 -0.78 113.70 117.10 3des s SER 50 Ca -0.00 -3.75 -0.21 0.00 0.70 0.00 0.00 55.95 52.69 3des s SER 50 Cb -0.13 -1.53 -0.04 0.00 -1.71 0.00 0.00 66.02 62.61 3des s SER 50 CO 0.02 -0.10 1.34 -0.81 1.20 0.00 0.00 173.24 174.89 3des n PRO 51 N 2.10 1.54 -3.90 5.44 -0.04 -1.26 -4.63 135.00 134.26 3des n PRO 51 Ca 0.20 0.57 -0.28 0.00 -0.04 0.00 0.00 63.50 63.95 3des n PRO 51 Cb 0.36 -2.56 -0.17 0.00 -0.04 0.00 0.00 33.50 31.10 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 -1.03 2.61 0.08 3.54 0.15 -1.26 -4.95 113.70 112.84 3des s SER 52 Ca 0.74 -0.54 -0.16 0.00 0.70 0.00 0.00 55.95 56.69 3des s SER 52 Cb -0.41 -0.90 -0.12 0.00 -1.71 0.00 0.00 66.02 62.89 3des s SER 52 CO 0.47 -0.16 1.37 0.15 1.20 0.00 0.00 173.24 176.27 3des h PHE 53 N 8.14 0.74 -0.17 3.44 3.57 -1.84 -0.34 116.94 130.49 3des h PHE 53 Ca -0.27 -0.25 -0.01 0.00 3.53 0.00 0.00 57.97 60.98 3des h PHE 53 Cb 1.12 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 3des h PHE 53 CO 0.46 0.98 0.08 -0.09 -2.23 0.00 0.00 178.31 177.51 3des h ARG 54 N 0.30 0.25 0.07 1.11 2.43 -1.94 -0.36 114.38 116.23 3des h ARG 54 Ca 0.02 -0.04 -0.24 0.00 -0.81 0.00 0.00 59.98 58.92 3des h ARG 54 Cb 0.89 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3des h ARG 54 CO 0.07 0.29 -1.25 0.28 -1.51 0.00 0.00 179.97 177.85 3des h VAL 55 N 0.15 1.05 -0.02 0.20 2.07 -1.98 -3.40 116.25 114.32 3des h VAL 55 Ca 0.06 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.26 3des h VAL 55 Cb 0.13 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 3des h VAL 55 CO -0.01 0.59 -0.21 0.59 0.02 0.00 0.00 177.57 178.54 3des n ASN 56 N -4.13 2.00 -0.07 0.57 3.02 -0.22 -4.97 115.26 111.46 3des n ASN 56 Ca -0.26 -1.50 -0.01 0.00 -0.03 0.00 0.00 54.58 52.78 3des n ASN 56 Cb 0.80 0.29 -0.00 0.00 -0.61 0.00 0.00 39.78 40.25 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 1.12 0.38 3.89 7.41 0.00 -0.14 -4.94 105.19 112.90 3des n GLY 57 Ca 0.08 -0.07 -0.29 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 -1.03 3.29 -0.05 1.61 2.02 -0.92 -4.84 118.70 118.79 3des s GLU 58 Ca 0.00 0.46 -0.02 0.00 0.02 0.00 0.00 54.97 55.43 3des s GLU 58 Cb 0.00 -2.15 0.03 0.00 0.10 0.00 0.00 34.13 32.12 3des s GLU 58 CO 0.00 -0.65 0.11 1.03 0.02 0.00 0.00 175.26 175.77 3des s ARG 59 N -5.12 0.06 0.30 1.61 0.52 -1.26 -2.72 118.95 112.33 3des s ARG 59 Ca 0.54 0.30 0.04 0.00 -0.52 0.00 0.00 55.73 56.09 3des s ARG 59 Cb -0.11 -0.17 0.70 0.00 0.52 0.00 0.00 34.95 35.89 3des s ARG 59 CO 0.50 -0.15 1.77 -0.24 0.02 0.00 0.00 175.30 177.21 3des h VAL 60 N 6.00 0.71 -0.87 3.52 3.04 -1.92 -0.51 116.25 126.22 3des h VAL 60 Ca -0.42 -0.26 0.02 0.00 -1.01 0.00 0.00 66.70 65.03 3des h VAL 60 Cb 1.14 -0.10 -0.05 0.00 -2.01 0.00 0.00 31.29 30.28 3des h VAL 60 CO 0.44 0.14 0.58 -0.33 -1.01 0.00 0.00 177.57 177.38 3des h GLU 61 N 0.75 1.12 -0.46 4.17 3.07 -1.99 -1.81 114.58 119.43 3des h GLU 61 Ca 0.56 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 59.28 3des h GLU 61 Cb 0.84 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 3des h GLU 61 CO -0.38 0.74 0.00 0.00 -1.40 0.00 0.00 179.01 177.98 3des h ALA 62 N 1.47 0.61 -0.00 3.43 0.00 -1.53 -1.69 119.26 121.55 3des h ALA 62 Ca 0.33 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3des h ALA 62 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3des h ALA 62 CO -0.08 0.41 -0.04 -0.07 0.00 0.00 0.00 179.25 179.47 3des h LEU 63 N 0.65 -0.12 -1.52 0.00 4.07 -1.05 -2.55 115.31 114.80 3des h LEU 63 Ca 0.13 0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.12 3des h LEU 63 Cb 0.49 0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.26 3des h LEU 63 CO 0.02 -0.06 0.34 -0.07 -1.08 0.00 0.00 178.44 177.59 3des h LEU 64 N -0.07 0.55 -1.28 1.67 3.38 -1.26 -2.26 115.31 116.04 3des h LEU 64 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3des h LEU 64 Cb 0.10 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3des h LEU 64 CO -0.05 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.88 3des h ALA 65 N 1.69 1.00 -0.45 1.53 0.00 -0.87 -3.09 119.26 119.07 3des h ALA 65 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3des h ALA 65 Cb -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3des h ALA 65 CO -0.04 0.00 0.07 0.44 0.00 0.00 0.00 179.25 179.71 3des n ILE 66 N -2.54 2.57 -0.11 0.00 -5.35 -0.85 -4.65 119.36 108.43 3des n ILE 66 Ca 0.01 -1.89 -0.06 0.00 -0.27 0.00 0.00 62.75 60.54 3des n ILE 66 Cb 0.19 -0.30 0.02 0.00 -1.74 0.00 0.00 39.64 37.82 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 2.19 0.26 -0.97 6.28 4.81 -1.67 -1.32 114.58 124.15 3des h GLU 67 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3des h GLU 67 Cb 1.80 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 31.07 3des h GLU 67 CO 0.43 0.17 0.62 -0.97 -0.73 0.00 0.00 179.01 178.53 3des h ASN 68 N 0.27 1.14 -0.67 1.04 -0.73 -1.88 -0.37 115.58 114.38 3des h ASN 68 Ca 0.17 -0.04 -0.07 0.00 1.87 0.00 0.00 56.30 58.22 3des h ASN 68 Cb 0.16 -0.29 -0.03 0.00 0.27 0.00 0.00 38.32 38.44 3des h ASN 68 CO -0.19 0.84 0.13 0.00 -0.37 0.00 0.00 177.43 177.84 3des h ALA 69 N 1.34 0.95 -0.67 1.57 0.00 -1.78 -1.32 119.26 119.36 3des h ALA 69 Ca 0.35 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3des h ALA 69 Cb -0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 3des h ALA 69 CO -0.07 0.66 0.22 0.28 0.00 0.00 0.00 179.25 180.34 3des h VAL 70 N 1.03 1.24 -0.37 0.00 2.07 -0.34 -1.23 116.25 118.67 3des h VAL 70 Ca 0.21 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3des h VAL 70 Cb 0.41 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3des h VAL 70 CO 0.01 0.32 0.17 0.03 0.02 0.00 0.00 177.57 178.12 3des h ARG 71 N 0.98 0.53 -0.10 1.57 3.08 -0.66 -2.58 114.38 117.21 3des h ARG 71 Ca 0.22 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 3des h ARG 71 Cb 0.27 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3des h ARG 71 CO -0.01 0.49 -0.12 0.93 -1.07 0.00 0.00 179.97 180.19 3des h GLU 72 N 0.45 0.15 -0.46 0.04 5.08 -0.86 -1.24 114.58 117.75 3des h GLU 72 Ca 0.12 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 3des h GLU 72 Cb 0.14 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3des h GLU 72 CO -0.01 0.28 -0.27 0.52 -1.00 0.00 0.00 179.01 178.53 3des h MET 73 N 0.15 0.99 0.00 2.33 2.86 -0.84 -3.39 114.93 117.02 3des h MET 73 Ca 0.03 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 3des h MET 73 Cb 0.31 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3des h MET 73 CO 0.02 1.12 0.00 0.44 1.06 0.00 0.00 176.91 179.55 3des n ILE 74 N -4.09 0.00 -2.20 -1.22 -5.35 -1.10 -4.99 119.36 100.41 3des n ILE 74 Ca -0.01 -0.41 -0.39 0.00 -0.27 0.00 0.00 62.75 61.67 3des n ILE 74 Cb 0.49 1.11 -0.02 0.00 -1.74 0.00 0.00 39.64 39.48 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 -0.31 2.93 0.00 7.28 -4.23 -0.48 -2.34 115.64 118.49 3des s THR 75 Ca 0.00 0.84 0.00 0.00 -1.18 0.00 0.00 61.69 61.35 3des s THR 75 Cb 0.00 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.34 3des s THR 75 CO 0.00 0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 3des n GLY 76 N 0.73 1.23 3.76 3.99 0.00 0.16 -4.95 105.19 110.11 3des n GLY 76 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.29 5.04 0.06 -0.61 1.01 -0.99 -4.69 121.20 118.74 3des s ILE 77 Ca 0.00 1.05 -0.30 0.00 0.00 0.00 0.00 60.65 61.40 3des s ILE 77 Cb 0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 3des s ILE 77 CO 0.00 0.42 1.10 -0.62 0.00 0.00 0.00 174.94 175.83 3des s ASP 78 N -0.07 7.23 0.11 3.58 -1.08 -1.26 -1.56 116.67 123.63 3des s ASP 78 Ca 0.27 1.90 0.12 0.00 -0.52 0.00 0.00 52.55 54.33 3des s ASP 78 Cb -0.17 -2.58 0.58 0.00 -1.46 0.00 0.00 42.92 39.30 3des s ASP 78 CO 0.14 -0.33 1.39 1.33 0.52 0.00 0.00 175.17 178.21 3des n VAL 79 N 3.59 1.33 0.61 1.11 0.24 -1.26 -1.00 118.33 122.95 3des n VAL 79 Ca 0.07 0.44 0.13 0.00 -2.04 0.00 0.00 64.34 62.93 3des n VAL 79 Cb 0.48 -1.36 0.45 0.00 -1.47 0.00 0.00 33.84 31.94 3des n VAL 79 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3des n ARG 80 N -1.79 0.21 -1.70 7.34 1.85 -1.26 -2.20 116.66 119.11 3des n ARG 80 Ca 0.01 0.24 -0.36 0.00 -1.00 0.00 0.00 57.85 56.74 3des n ARG 80 Cb 0.09 -1.77 0.05 0.00 -1.05 0.00 0.00 32.46 29.78 3des n ARG 80 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3des n ASN 81 N -2.14 7.21 0.21 2.89 3.02 -0.17 -4.78 115.26 121.51 3des n ASN 81 Ca 0.05 -3.80 0.17 0.00 -0.03 0.00 0.00 54.58 50.97 3des n ASN 81 Cb 0.37 -0.93 0.83 0.00 -0.61 0.00 0.00 39.78 39.44 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 2.45 0.00 -0.20 3.10 -0.00 -1.59 -0.64 116.97 120.10 3des h TYR 82 Ca 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 59.24 3des h TYR 82 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.28 3des h TYR 82 CO 1.25 0.00 -0.07 0.00 -0.00 0.00 0.00 178.16 179.34 3des h ALA 83 N 1.79 1.52 -0.48 0.10 0.00 -1.89 0.59 119.26 120.89 3des h ALA 83 Ca 0.08 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3des h ALA 83 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3des h ALA 83 CO -0.00 0.35 -0.07 0.00 0.00 0.00 0.00 179.25 179.53 3des h ARG 84 N 0.30 0.89 -0.64 0.00 3.08 -1.51 -0.77 114.38 115.73 3des h ARG 84 Ca 0.06 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 3des h ARG 84 Cb 0.32 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3des h ARG 84 CO 0.01 0.96 0.17 0.82 -1.07 0.00 0.00 179.97 180.86 3des h ILE 85 N 0.74 1.25 -0.13 2.04 2.04 -1.37 -1.70 117.51 120.38 3des h ILE 85 Ca 0.13 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 3des h ILE 85 Cb 0.60 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3des h ILE 85 CO 0.04 0.34 0.04 -0.26 0.00 0.00 0.00 178.15 178.31 3des h PHE 86 N 0.96 0.20 -0.55 1.37 -1.00 -0.58 -0.77 116.94 116.58 3des h PHE 86 Ca 0.21 -0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.98 3des h PHE 86 Cb 0.32 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 39.79 3des h PHE 86 CO 0.02 0.32 0.36 1.49 -1.61 0.00 0.00 178.31 178.89 3des h GLU 87 N 0.03 0.72 -0.16 1.51 4.81 -0.93 -1.21 114.58 119.36 3des h GLU 87 Ca 0.04 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3des h GLU 87 Cb 0.20 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3des h GLU 87 CO -0.00 0.47 0.08 0.82 -0.73 0.00 0.00 179.01 179.65 3des h ILE 88 N 0.74 1.12 0.00 2.32 2.04 -1.21 -2.61 117.51 119.92 3des h ILE 88 Ca 0.21 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3des h ILE 88 Cb -0.07 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3des h ILE 88 CO -0.05 0.12 0.00 0.35 0.00 0.00 0.00 178.15 178.57 3des n THR 89 N -4.90 0.90 0.35 -0.27 -2.24 -0.30 -1.82 114.28 106.01 3des n THR 89 Ca -0.04 0.25 0.14 0.00 -2.27 0.00 0.00 64.05 62.13 3des n THR 89 Cb 0.09 -1.13 0.57 0.00 -2.10 0.00 0.00 70.33 67.76 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 0.79 3.42 3.32 -0.81 -1.97 116.42 121.17 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 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3des h ASP 90 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 3des n ARG 91 N -2.61 0.09 -0.95 3.56 1.74 -0.75 -3.13 116.66 114.61 3des n ARG 91 Ca 0.02 0.25 -0.19 0.00 -0.77 0.00 0.00 57.85 57.16 3des n ARG 91 Cb 0.27 -1.65 0.04 0.00 -1.02 0.00 0.00 32.46 30.10 3des n ARG 91 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3des n LEU 92 N -1.83 6.59 0.09 0.55 4.77 -0.74 -4.55 117.00 121.89 3des n LEU 92 Ca 0.04 -3.42 0.09 0.00 -0.03 0.00 0.00 56.01 52.69 3des n LEU 92 Cb 0.25 -1.06 0.40 0.00 -2.33 0.00 0.00 43.42 40.69 3des n LEU 92 CO 0.20 1.27 0.77 2.22 -1.33 0.00 0.00 177.39 180.52 3des n PHE 93 N 0.24 0.50 1.01 -1.77 1.16 -1.18 -0.91 117.46 116.51 3des n PHE 93 Ca 0.34 0.22 0.12 0.00 -1.87 0.00 0.00 57.45 56.26 3des n PHE 93 Cb 0.58 -0.86 0.30 0.00 -1.61 0.00 0.00 39.48 37.90 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 -0.57 -1.25 2.57 4.97 0.00 -1.26 -3.98 105.19 105.67 3des n GLY 94 Ca 0.01 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.46 2.21 -0.30 1.61 3.72 -0.09 -4.72 117.46 118.43 3des n PHE 95 Ca 0.06 -3.39 0.13 0.00 -0.05 0.00 0.00 57.45 54.20 3des n PHE 95 Cb 0.34 -0.33 0.30 0.00 -0.94 0.00 0.00 39.48 38.84 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 2.88 0.30 -0.43 -1.08 0.13 -1.67 -0.95 132.00 131.18 3des h PRO 96 Ca 0.11 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.17 3des h PRO 96 Cb 0.91 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 3des h PRO 96 CO 0.67 0.20 0.06 0.66 -0.23 0.00 0.00 178.00 179.35 3des h SER 97 N 0.31 0.63 0.13 1.44 4.64 -1.82 -0.78 113.55 118.10 3des h SER 97 Ca 0.56 -0.12 -0.19 0.00 -0.47 0.00 0.00 61.79 61.57 3des h SER 97 Cb 1.09 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3des h SER 97 CO -0.58 0.66 -0.71 0.25 -0.87 0.00 0.00 176.83 175.58 3des h LEU 98 N 0.64 0.61 -0.37 5.97 5.85 -1.56 -2.06 115.31 124.40 3des h LEU 98 Ca 0.14 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.50 3des h LEU 98 Cb 0.32 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3des h LEU 98 CO 0.01 1.13 0.17 0.50 -0.34 0.00 0.00 178.44 179.91 3des h LYS 99 N 0.36 0.34 -0.16 1.25 3.64 -0.67 -0.59 116.57 120.74 3des h LYS 99 Ca -0.03 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3des h LYS 99 Cb 1.29 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3des h LYS 99 CO 0.13 0.22 0.09 0.00 -2.27 0.00 0.00 179.45 177.63 3des h ALA 100 N 1.20 0.20 -0.21 5.00 0.00 -1.05 -1.18 119.26 123.24 3des h ALA 100 Ca 0.16 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3des h ALA 100 Cb 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3des h ALA 100 CO -0.13 -0.28 0.11 0.00 0.00 0.00 0.00 179.25 178.96 3des h ALA 101 N 1.01 0.25 -0.40 0.00 0.00 -1.03 -0.21 119.26 118.88 3des h ALA 101 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3des h ALA 101 Cb 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3des h ALA 101 CO -0.01 -0.30 0.23 0.28 0.00 0.00 0.00 179.25 179.45 3des h VAL 102 N 0.23 1.14 -0.72 0.00 2.07 -1.04 0.38 116.25 118.32 3des h VAL 102 Ca 0.08 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3des h VAL 102 Cb 0.01 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3des h VAL 102 CO -0.05 0.15 0.20 1.56 0.02 0.00 0.00 177.57 179.44 3des h GLN 103 N 0.52 1.13 -0.21 1.57 4.20 -1.01 -1.55 115.11 119.76 3des h GLN 103 Ca 0.14 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.50 3des h GLN 103 Cb 0.04 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 3des h GLN 103 CO -0.02 0.98 -0.25 0.35 -0.67 0.00 0.00 178.83 179.21 3des h PHE 104 N 1.08 0.66 -0.72 2.96 3.57 -0.81 -2.41 116.94 121.27 3des h PHE 104 Ca 0.23 -0.21 0.11 0.00 3.53 0.00 0.00 57.97 61.63 3des h PHE 104 Cb 0.34 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 3des h PHE 104 CO 0.03 0.91 0.48 0.00 -2.23 0.00 0.00 178.31 177.49 3des h ALA 105 N 0.64 1.94 -0.20 2.41 0.00 -0.78 0.38 119.26 123.65 3des h ALA 105 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3des h ALA 105 Cb 0.82 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3des h ALA 105 CO 0.06 -0.10 0.07 1.15 0.00 0.00 0.00 179.25 180.42 3des h THR 106 N 0.54 1.18 -0.32 0.00 2.02 -1.01 -0.28 112.91 115.04 3des h THR 106 Ca 0.34 -0.57 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 3des h THR 106 Cb 0.59 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 3des h THR 106 CO -0.12 0.18 -0.25 -0.07 0.37 0.00 0.00 175.52 175.64 3des h LEU 107 N 0.15 0.64 -0.33 2.58 3.38 -0.63 -0.36 115.31 120.74 3des h LEU 107 Ca 0.06 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3des h LEU 107 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3des h LEU 107 CO -0.00 0.87 0.22 -0.78 0.09 0.00 0.00 178.44 178.84 3des h ASP 108 N 0.55 0.38 -0.32 -0.43 3.58 -0.03 0.30 116.42 120.45 3des h ASP 108 Ca 0.08 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 3des h ASP 108 Cb 0.72 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 3des h ASP 108 CO 0.05 0.28 0.09 0.00 -2.88 0.00 0.00 179.24 176.78 3des h ALA 109 N 1.12 0.42 -0.58 -0.78 0.00 -0.84 -2.63 119.26 115.97 3des h ALA 109 Ca 0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3des h ALA 109 Cb -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3des h ALA 109 CO -0.03 0.07 0.34 1.25 0.00 0.00 0.00 179.25 180.89 3des h LEU 110 N 0.36 0.70 -1.05 0.00 5.85 -0.64 -2.09 115.31 118.44 3des h LEU 110 Ca 0.10 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3des h LEU 110 Cb 0.28 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3des h LEU 110 CO -0.00 0.56 0.60 0.77 -0.34 0.00 0.00 178.44 180.03 3des h SER 111 N 0.78 1.09 -0.61 1.25 4.64 -0.32 -1.61 113.55 118.77 3des h SER 111 Ca 0.21 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 3des h SER 111 Cb -0.01 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.78 3des h SER 111 CO -0.04 0.80 0.27 1.56 -0.87 0.00 0.00 176.83 178.56 3des h GLN 112 N 1.27 0.89 -0.03 4.77 4.20 -1.07 0.39 115.11 125.53 3des h GLN 112 Ca 0.34 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 3des h GLN 112 Cb -0.12 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 3des h GLN 112 CO -0.07 0.74 -0.18 0.93 -0.67 0.00 0.00 178.83 179.58 3des h GLU 113 N 0.84 0.04 -0.08 1.46 5.08 -0.80 -1.41 114.58 119.72 3des h GLU 113 Ca 0.21 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3des h GLU 113 Cb 0.16 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3des h GLU 113 CO -0.02 0.23 0.00 1.28 -1.00 0.00 0.00 179.01 179.49 3des n LEU 114 N -4.30 1.56 -2.74 1.33 4.77 -0.66 -4.94 117.00 112.01 3des n LEU 114 Ca -0.02 -0.58 -0.18 0.00 -0.03 0.00 0.00 56.01 55.20 3des n LEU 114 Cb 0.26 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.36 3des n LEU 114 CO 0.37 0.29 0.14 0.61 -1.33 0.00 0.00 177.39 177.46 3des n GLY 115 N 1.16 -0.22 0.00 -0.72 0.00 -0.41 -4.99 105.19 100.00 3des n GLY 115 Ca 0.18 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.38 0.00 -4.49 2.61 5.66 -0.01 -5.02 114.28 108.65 3des n THR 116 Ca -0.02 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.73 3des n THR 116 Cb 0.56 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 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 -0.19 1.78 0.21 1.09 -0.21 -1.26 -4.06 119.66 117.01 3des s GLN 117 Ca 0.00 -1.82 -0.08 0.00 0.02 0.00 0.00 55.36 53.47 3des s GLN 117 Cb 0.00 -1.77 0.15 0.00 1.00 0.00 0.00 33.01 32.40 3des s GLN 117 CO 0.00 0.24 1.79 0.28 -2.12 0.00 0.00 175.29 175.48 3des h VAL 118 N 2.13 1.26 -0.92 1.09 2.07 -1.92 -2.03 116.25 117.92 3des h VAL 118 Ca -0.41 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.37 3des h VAL 118 Cb 1.26 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 3des h VAL 118 CO 0.65 0.32 0.61 0.00 0.02 0.00 0.00 177.57 179.16 3des h TYR 120 N 1.16 0.21 -0.10 0.00 0.05 -1.80 0.14 116.97 116.63 3des h TYR 120 Ca 0.37 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 59.01 3des h TYR 120 Cb 0.01 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 3des h TYR 120 CO -0.00 0.76 -0.16 1.25 -1.05 0.00 0.00 178.16 178.96 3des h LEU 121 N 0.11 0.15 -1.43 3.88 5.85 -0.63 -1.68 115.31 121.56 3des h LEU 121 Ca -0.01 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3des h LEU 121 Cb 1.17 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3des h LEU 121 CO 0.10 0.32 0.00 0.18 -0.34 0.00 0.00 178.44 178.70 3des n LEU 122 N -4.28 2.09 0.00 2.25 4.77 -0.62 -4.90 117.00 116.32 3des n LEU 122 Ca -0.01 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 3des n LEU 122 Cb 0.27 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3des n LEU 122 CO 0.38 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3des n GLY 123 N 1.14 2.20 4.23 -0.72 0.00 -0.63 -3.95 105.19 107.46 3des n GLY 123 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.08 -0.29 0.20 -0.02 0.00 0.46 -4.86 105.19 100.60 3des n GLY 124 Ca 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.56 0.40 -5.77 1.61 3.64 -1.09 -3.46 116.57 110.34 3des h LYS 125 Ca -0.62 -0.21 -0.49 0.00 -1.27 0.00 0.00 60.65 58.06 3des h LYS 125 Cb 1.39 0.01 -0.20 0.00 -0.41 0.00 0.00 32.23 33.02 3des h LYS 125 CO 0.74 0.78 -0.79 1.03 -2.27 0.00 0.00 179.45 178.94 3des s ARG 126 N -4.10 1.09 -0.03 1.90 0.52 0.25 -4.95 118.95 113.63 3des s ARG 126 Ca -0.06 -1.21 0.21 0.00 -0.52 0.00 0.00 55.73 54.15 3des s ARG 126 Cb 0.12 -1.15 -0.32 0.00 0.52 0.00 0.00 34.95 34.12 3des s ARG 126 CO 0.80 0.25 0.49 -0.25 0.02 0.00 0.00 175.30 176.61 3des n ASP 127 N 0.76 0.25 -3.76 0.23 8.00 -1.26 -4.66 116.55 116.11 3des n ASP 127 Ca -0.17 -0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.14 3des n ASP 127 Cb 0.55 1.90 -0.08 0.00 -0.02 0.00 0.00 41.12 43.47 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 -3.43 0.72 0.05 -1.24 2.12 -1.26 -4.12 118.70 111.54 3des s GLU 128 Ca -0.07 -0.30 -0.06 0.00 0.36 0.00 0.00 54.97 54.90 3des s GLU 128 Cb 0.14 0.31 -0.01 0.00 0.26 0.00 0.00 34.13 34.83 3des s GLU 128 CO 0.87 -0.21 0.12 0.96 -0.54 0.00 0.00 175.26 176.46 3des s ILE 129 N -1.75 0.14 0.00 -3.70 -4.36 -0.92 -5.00 121.20 105.61 3des s ILE 129 Ca -0.11 -1.11 0.08 0.00 -0.26 0.00 0.00 60.65 59.25 3des s ILE 129 Cb -0.04 -1.00 -0.02 0.00 1.25 0.00 0.00 42.46 42.65 3des s ILE 129 CO 0.02 -0.61 -0.26 -1.61 0.24 0.00 0.00 174.94 172.71 3des s GLU 130 N -2.85 2.00 0.12 0.37 2.02 -1.26 -0.94 118.70 118.16 3des s GLU 130 Ca -0.03 -0.99 0.06 0.00 0.02 0.00 0.00 54.97 54.03 3des s GLU 130 Cb 0.00 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 3des s GLU 130 CO -0.06 0.54 0.01 -0.08 0.02 0.00 0.00 175.26 175.70 3des s THR 131 N -0.67 3.98 0.00 3.63 -1.32 0.59 -4.03 115.64 117.82 3des s THR 131 Ca 0.11 -1.13 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 3des s THR 131 Cb -0.10 -2.94 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 3des s THR 131 CO 0.00 0.03 0.00 -0.90 -2.21 0.00 0.00 174.62 171.54 3des n ASP 132 N 0.26 0.00 -3.80 8.08 5.68 -0.42 -4.74 116.55 121.61 3des n ASP 132 Ca -0.10 -0.98 -0.13 0.00 -0.50 0.00 0.00 54.79 53.08 3des n ASP 132 Cb 0.53 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.40 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 -2.63 0.34 0.05 0.11 2.20 -1.16 -4.47 119.74 114.17 3des s LYS 133 Ca 0.00 0.18 -0.14 0.00 -0.36 0.00 0.00 55.97 55.65 3des s LYS 133 Cb 0.00 0.16 -0.06 0.00 -1.51 0.00 0.00 37.83 36.42 3des s LYS 133 CO 0.00 -0.06 0.44 0.99 -0.36 0.00 0.00 175.35 176.36 3des s THR 134 N -0.22 5.00 -0.37 3.43 2.01 -1.26 -1.62 115.64 122.61 3des s THR 134 Ca -0.03 0.75 -0.07 0.00 0.31 0.00 0.00 61.69 62.65 3des s THR 134 Cb -0.03 -3.71 0.06 0.00 0.01 0.00 0.00 72.50 68.83 3des s THR 134 CO 0.01 0.45 0.17 -0.69 -0.69 0.00 0.00 174.62 173.87 3des s VAL 135 N -1.23 3.89 1.01 3.82 1.01 0.11 -4.95 120.40 124.07 3des s VAL 135 Ca 0.29 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 3des s VAL 135 Cb -0.16 -3.31 0.20 0.00 0.00 0.00 0.00 36.38 33.10 3des s VAL 135 CO 0.16 -0.35 1.10 -0.83 0.00 0.00 0.00 175.10 175.18 3des s GLY 136 N 1.71 1.56 0.20 4.51 0.00 -1.26 -1.94 107.32 112.10 3des s GLY 136 Ca 0.01 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 44.00 3des s GLY 136 CO 0.02 0.21 1.27 -0.42 0.00 0.00 0.00 173.10 174.18 3des s ILE 137 N -3.00 3.29 0.00 0.90 1.01 0.10 -4.76 121.20 118.74 3des s ILE 137 Ca 0.66 1.08 0.00 0.00 0.00 0.00 0.00 60.65 62.39 3des s ILE 137 Cb -0.18 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.60 3des s ILE 137 CO 0.57 0.17 0.00 -0.67 0.00 0.00 0.00 174.94 175.02 3des n ASP 138 N 2.45 0.00 -4.76 3.58 -0.08 -1.26 -4.59 116.55 111.88 3des n ASP 138 Ca 0.05 -0.90 -0.32 0.00 -1.51 0.00 0.00 54.79 52.11 3des n ASP 138 Cb 0.43 0.00 0.08 0.00 2.34 0.00 0.00 41.12 43.97 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 -2.63 3.19 0.29 5.18 -4.23 -1.26 -4.76 115.64 111.41 3des s THR 139 Ca 0.00 0.46 -0.00 0.00 -1.18 0.00 0.00 61.69 60.96 3des s THR 139 Cb 0.00 -2.93 0.28 0.00 1.34 0.00 0.00 72.50 71.18 3des s THR 139 CO 0.00 -0.44 1.89 0.58 -0.54 0.00 0.00 174.62 176.11 3des h VAL 140 N -0.69 1.04 0.22 2.29 2.07 -1.99 0.24 116.25 119.44 3des h VAL 140 Ca -0.45 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3des h VAL 140 Cb 1.24 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3des h VAL 140 CO 0.52 0.20 -0.19 -0.08 0.02 0.00 0.00 177.57 178.04 3des h GLU 141 N 1.08 -0.41 -0.38 1.57 4.81 -2.00 -0.73 114.58 118.52 3des h GLU 141 Ca 0.43 0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.60 3des h GLU 141 Cb 0.25 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3des h GLU 141 CO -0.18 -0.27 -0.12 -0.91 -0.73 0.00 0.00 179.01 176.80 3des h ASN 142 N -0.42 0.67 -0.51 1.04 2.35 -1.79 -1.87 115.58 115.05 3des h ASN 142 Ca -0.01 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 3des h ASN 142 Cb 0.38 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 3des h ASN 142 CO -0.03 0.81 0.26 0.03 -1.65 0.00 0.00 177.43 176.85 3des h ARG 143 N 0.62 0.72 -0.62 0.81 3.08 -0.71 -0.08 114.38 118.19 3des h ARG 143 Ca 0.11 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3des h ARG 143 Cb 0.56 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 3des h ARG 143 CO 0.04 0.58 0.08 0.28 -1.07 0.00 0.00 179.97 179.88 3des h VAL 144 N 0.68 1.26 0.22 2.04 2.07 -0.95 -0.48 116.25 121.09 3des h VAL 144 Ca 0.18 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3des h VAL 144 Cb 0.09 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3des h VAL 144 CO -0.03 0.38 -0.11 0.50 0.02 0.00 0.00 177.57 178.34 3des h LYS 145 N 0.97 -0.28 -0.67 1.57 1.63 -0.95 -1.43 116.57 117.41 3des h LYS 145 Ca 0.19 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.98 3des h LYS 145 Cb 0.45 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 3des h LYS 145 CO 0.01 -0.15 0.28 1.49 -3.45 0.00 0.00 179.45 177.64 3des h GLU 146 N -0.35 0.98 -0.35 1.90 4.81 -0.89 -2.09 114.58 118.59 3des h GLU 146 Ca -0.03 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3des h GLU 146 Cb 0.27 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3des h GLU 146 CO 0.05 0.78 0.22 0.00 -0.73 0.00 0.00 179.01 179.33 3des h ALA 147 N 1.35 0.44 -0.41 2.92 0.00 -0.87 -0.30 119.26 122.39 3des h ALA 147 Ca 0.23 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3des h ALA 147 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3des h ALA 147 CO -0.02 -0.13 0.26 0.87 0.00 0.00 0.00 179.25 180.23 3des h LYS 148 N 0.44 0.51 -0.71 0.00 1.57 -0.89 -0.31 116.57 117.18 3des h LYS 148 Ca 0.14 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3des h LYS 148 Cb -0.02 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 3des h LYS 148 CO -0.05 0.34 0.46 -0.22 -0.57 0.00 0.00 179.45 179.41 3des h LYS 149 N 0.52 0.90 -0.51 3.15 3.64 -0.99 0.29 116.57 123.56 3des h LYS 149 Ca 0.16 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3des h LYS 149 Cb -0.02 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 3des h LYS 149 CO -0.06 0.60 0.15 0.82 -2.27 0.00 0.00 179.45 178.69 3des h ILE 150 N 0.93 1.23 -0.58 2.00 2.04 -0.65 -1.46 117.51 121.02 3des h ILE 150 Ca 0.27 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 3des h ILE 150 Cb -0.06 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3des h ILE 150 CO -0.08 0.29 0.20 0.15 0.00 0.00 0.00 178.15 178.72 3des h PHE 151 N 0.70 0.92 0.00 1.37 3.57 -0.47 -1.91 116.94 121.12 3des h PHE 151 Ca 0.16 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3des h PHE 151 Cb 0.29 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 3des h PHE 151 CO 0.02 0.75 -0.08 1.49 -2.23 0.00 0.00 178.31 178.26 3des h GLU 152 N 0.81 0.00 -0.00 1.11 4.81 -0.18 -1.40 114.58 119.73 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 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3des h GLU 152 CO -0.01 0.08 -0.02 0.39 -0.73 0.00 0.00 179.01 178.72 3des n GLU 153 N -3.43 0.31 0.00 1.92 1.02 -0.57 -4.91 120.64 114.97 3des n GLU 153 Ca -0.01 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 3des n GLU 153 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 1.36 0.58 3.68 0.62 0.00 -0.53 -4.77 105.19 106.13 3des n GLY 154 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 2.94 -2.30 1.61 0.08 -1.14 -4.75 117.98 112.41 3des s PHE 155 Ca 0.00 1.00 0.22 0.00 0.12 0.00 0.00 56.93 58.27 3des s PHE 155 Cb 0.00 -3.53 0.41 0.00 -0.57 0.00 0.00 43.02 39.33 3des s PHE 155 CO 0.00 -1.83 1.37 0.54 -0.10 0.00 0.00 175.22 175.20 3des n ARG 156 N 5.77 2.44 -3.87 0.44 5.12 -1.26 -4.45 116.66 120.85 3des n ARG 156 Ca 0.13 -2.24 -0.26 0.00 -1.93 0.00 0.00 57.85 53.54 3des n ARG 156 Cb 0.45 -1.49 -0.17 0.00 -1.16 0.00 0.00 32.46 30.09 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 -1.41 0.89 -0.17 1.55 1.01 -1.26 -0.55 120.40 120.47 3des s VAL 157 Ca 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 3des s VAL 157 Cb 0.22 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.60 3des s VAL 157 CO 0.30 0.27 -0.13 -0.63 0.00 0.00 0.00 175.10 174.91 3des s ILE 158 N 1.75 2.79 -0.24 2.22 1.01 -0.38 -3.01 121.20 125.34 3des s ILE 158 Ca 0.04 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.81 3des s ILE 158 Cb -0.13 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 3des s ILE 158 CO -0.08 0.50 0.40 -0.75 0.00 0.00 0.00 174.94 175.02 3des s LYS 159 N 0.96 4.08 -0.22 2.79 2.20 -0.64 -1.50 119.74 127.42 3des s LYS 159 Ca -0.02 0.14 -0.05 0.00 -0.36 0.00 0.00 55.97 55.69 3des s LYS 159 Cb -0.15 -3.61 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 3des s LYS 159 CO -0.02 -0.20 -0.01 0.42 -0.36 0.00 0.00 175.35 175.18 3des s ILE 160 N 1.81 3.69 0.12 5.43 1.01 0.23 0.07 121.20 133.56 3des s ILE 160 Ca 0.17 -0.39 -0.26 0.00 0.00 0.00 0.00 60.65 60.17 3des s ILE 160 Cb -0.15 -2.68 -0.07 0.00 0.01 0.00 0.00 42.46 39.57 3des s ILE 160 CO 0.09 0.41 0.80 -0.54 0.00 0.00 0.00 174.94 175.70 3des s LYS 161 N 1.32 4.57 0.18 2.79 -0.14 -0.82 -1.36 119.74 126.28 3des s LYS 161 Ca 0.04 1.17 -0.02 0.00 -1.36 0.00 0.00 55.97 55.81 3des s LYS 161 Cb -0.14 -3.31 0.01 0.00 -1.68 0.00 0.00 37.83 32.70 3des s LYS 161 CO -0.00 0.43 0.26 1.33 -0.76 0.00 0.00 175.35 176.61 3des n VAL 162 N 2.13 0.00 0.00 3.17 0.24 -0.55 -4.54 118.33 118.78 3des n VAL 162 Ca -0.04 -0.84 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 3des n VAL 162 Cb 0.49 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 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 -0.28 1.52 0.00 7.63 0.00 -1.26 -4.05 105.19 108.76 3des n GLY 163 Ca -0.00 0.00 0.08 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 0.97 -3.30 1.61 1.02 -1.26 -4.30 120.64 115.39 3des n GLU 164 Ca 0.00 -0.10 -0.10 0.00 -0.02 0.00 0.00 57.16 56.95 3des n GLU 164 Cb 0.00 -1.32 -0.05 0.00 -0.02 0.00 0.00 31.44 30.05 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 -3.35 0.14 0.19 1.62 3.84 -1.26 -5.05 114.94 111.07 3des s ASN 165 Ca -0.02 -1.15 -0.22 0.00 0.21 0.00 0.00 52.86 51.68 3des s ASN 165 Cb 0.10 1.11 0.12 0.00 -0.55 0.00 0.00 41.25 42.03 3des s ASN 165 CO 0.64 -0.24 1.57 0.25 -2.79 0.00 0.00 177.10 176.53 3des h LEU 166 N 7.18 -1.33 -0.13 3.21 5.85 -1.98 0.55 115.31 128.66 3des h LEU 166 Ca 0.03 0.25 0.03 0.00 0.84 0.00 0.00 57.88 59.03 3des h LEU 166 Cb 1.11 0.65 -0.03 0.00 0.37 0.00 0.00 40.66 42.76 3des h LEU 166 CO 0.17 -0.31 -0.03 0.50 -0.34 0.00 0.00 178.44 178.43 3des h LYS 167 N -0.14 0.00 -0.24 1.25 3.64 -2.00 -0.61 116.57 118.48 3des h LYS 167 Ca 0.24 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 3des h LYS 167 Cb 0.56 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3des h LYS 167 CO -0.75 0.00 -0.33 1.49 -2.27 0.00 0.00 179.45 177.59 3des h GLU 168 N 0.00 0.50 -0.47 1.90 4.81 -1.82 -2.05 114.58 117.44 3des h GLU 168 Ca 0.06 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3des h GLU 168 Cb 0.10 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3des h GLU 168 CO -0.14 0.77 0.23 -0.44 -0.73 0.00 0.00 179.01 178.70 3des h ASP 169 N 0.43 0.62 -0.23 1.04 3.32 0.52 0.29 116.42 122.40 3des h ASP 169 Ca 0.05 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3des h ASP 169 Cb 0.78 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3des h ASP 169 CO 0.06 0.57 0.13 0.40 -1.72 0.00 0.00 179.24 178.68 3des h ILE 170 N 0.62 1.11 -0.49 0.35 2.04 -1.00 -1.32 117.51 118.83 3des h ILE 170 Ca 0.16 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.77 3des h ILE 170 Cb 0.12 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3des h ILE 170 CO -0.02 0.11 0.23 -0.08 0.00 0.00 0.00 178.15 178.39 3des h GLU 171 N 0.27 0.44 -0.36 2.37 4.57 -0.98 -1.67 114.58 119.22 3des h GLU 171 Ca 0.08 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3des h GLU 171 Cb 0.06 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3des h GLU 171 CO -0.01 0.29 0.23 0.00 -1.18 0.00 0.00 179.01 178.33 3des h ALA 172 N 1.27 0.45 -0.64 2.92 0.00 -0.11 -1.39 119.26 121.76 3des h ALA 172 Ca 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3des h ALA 172 Cb 0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3des h ALA 172 CO -0.17 -0.07 0.29 0.28 0.00 0.00 0.00 179.25 179.58 3des h VAL 173 N 0.47 1.23 -0.37 0.00 2.07 -0.97 -0.72 116.25 117.96 3des h VAL 173 Ca 0.13 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3des h VAL 173 Cb -0.03 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3des h VAL 173 CO -0.03 0.27 0.18 -0.33 0.02 0.00 0.00 177.57 177.68 3des h GLU 174 N 0.90 0.54 -0.23 1.57 5.08 -1.09 -1.46 114.58 119.88 3des h GLU 174 Ca 0.22 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3des h GLU 174 Cb 0.16 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3des h GLU 174 CO -0.02 0.49 0.08 0.93 -1.00 0.00 0.00 179.01 179.48 3des h GLU 175 N 0.46 0.36 -0.71 2.33 4.39 -1.08 -2.77 114.58 117.55 3des h GLU 175 Ca 0.13 -0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.81 3des h GLU 175 Cb 0.13 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 3des h GLU 175 CO -0.02 0.43 0.42 0.82 -1.16 0.00 0.00 179.01 179.50 3des h ILE 176 N 0.21 1.00 -0.77 3.13 2.04 -1.03 -2.18 117.51 119.91 3des h ILE 176 Ca 0.08 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.71 3des h ILE 176 Cb 0.22 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 3des h ILE 176 CO -0.00 0.14 0.50 0.00 0.00 0.00 0.00 178.15 178.79 3des h ALA 177 N 1.35 1.55 -0.76 1.87 0.00 -1.08 -2.76 119.26 119.44 3des h ALA 177 Ca 0.31 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3des h ALA 177 Cb 0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3des h ALA 177 CO -0.17 0.37 0.50 0.87 0.00 0.00 0.00 179.25 180.81 3des h LYS 178 N 0.93 1.00 -0.63 0.00 1.57 -1.12 -3.03 116.57 115.29 3des h LYS 178 Ca 0.31 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3des h LYS 178 Cb 0.06 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.15 3des h LYS 178 CO -0.09 0.67 0.00 1.33 -0.57 0.00 0.00 179.45 180.79 3des n VAL 179 N -4.55 1.51 -2.72 0.50 0.24 -1.06 -4.27 118.33 107.97 3des n VAL 179 Ca 0.07 -0.96 0.01 0.00 -2.04 0.00 0.00 64.34 61.42 3des n VAL 179 Cb 0.02 0.04 0.04 0.00 -1.47 0.00 0.00 33.84 32.47 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 0.88 0.84 -1.68 3.34 -2.24 -1.11 -4.81 114.28 109.50 3des n THR 180 Ca 0.21 -2.25 -0.45 0.00 -2.27 0.00 0.00 64.05 59.29 3des n THR 180 Cb 0.76 1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 70.14 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 -0.33 2.44 0.00 -0.78 1.74 -1.23 -1.83 116.66 116.67 3des n ARG 181 Ca 0.05 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 3des n ARG 181 Cb 0.90 -2.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 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 3.92 2.02 3.91 -0.13 0.00 -1.26 -5.10 105.19 108.55 3des n GLY 182 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.11 3.74 0.27 4.61 0.00 -0.76 -4.99 121.76 122.53 3des s ALA 183 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 3des s ALA 183 Cb 0.00 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 3des s ALA 183 CO 0.00 0.39 0.47 0.15 0.00 0.00 0.00 175.76 176.77 3des s LYS 184 N -3.32 3.52 0.01 0.00 -0.14 0.29 -4.97 119.74 115.13 3des s LYS 184 Ca 0.41 -0.32 0.05 0.00 -1.36 0.00 0.00 55.97 54.76 3des s LYS 184 Cb -0.11 -2.75 -0.02 0.00 -1.68 0.00 0.00 37.83 33.27 3des s LYS 184 CO 0.29 0.28 -0.17 0.71 -0.76 0.00 0.00 175.35 175.70 3des s TYR 185 N -2.07 1.47 -0.11 3.18 2.02 -1.26 -1.25 117.35 119.32 3des s TYR 185 Ca 0.39 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.81 3des s TYR 185 Cb -0.10 -0.92 0.01 0.00 -0.40 0.00 0.00 41.96 40.55 3des s TYR 185 CO 0.32 0.01 -0.18 0.42 -1.57 0.00 0.00 175.55 174.54 3des s ILE 186 N -0.54 1.71 -0.13 2.71 1.01 -0.56 0.33 121.20 125.72 3des s ILE 186 Ca 0.06 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 3des s ILE 186 Cb -0.07 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 3des s ILE 186 CO 0.00 0.48 -0.08 -0.69 0.00 0.00 0.00 174.94 174.66 3des s VAL 187 N 0.81 3.57 -0.20 2.92 1.01 -0.21 0.76 120.40 129.05 3des s VAL 187 Ca -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3des s VAL 187 Cb -0.16 -2.53 0.05 0.00 0.00 0.00 0.00 36.38 33.74 3des s VAL 187 CO 0.00 0.52 -0.07 -0.62 0.00 0.00 0.00 175.10 174.93 3des s ASP 188 N 0.19 3.33 0.00 3.32 -1.08 -0.46 0.22 116.67 122.18 3des s ASP 188 Ca -0.04 -0.89 0.26 0.00 -0.52 0.00 0.00 52.55 51.36 3des s ASP 188 Cb -0.14 -1.11 0.66 0.00 -1.46 0.00 0.00 42.92 40.86 3des s ASP 188 CO 0.04 -0.18 1.51 0.00 0.52 0.00 0.00 175.17 177.05 3des n ALA 189 N 4.74 3.18 -4.23 3.66 0.00 -0.99 -1.49 120.51 125.38 3des n ALA 189 Ca -0.13 -0.42 -0.34 0.00 0.00 0.00 0.00 53.44 52.55 3des n ALA 189 Cb 0.46 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.67 -0.27 -0.12 0.00 4.13 -1.19 -1.01 115.26 116.13 3des n ASN 190 Ca 0.11 -1.26 -0.02 0.00 1.68 0.00 0.00 54.58 55.10 3des n ASN 190 Cb 0.36 -1.75 -0.01 0.00 -1.54 0.00 0.00 39.78 36.84 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 -4.67 -1.34 0.23 3.52 2.81 0.12 -4.78 117.12 113.02 3des n MET 191 Ca -0.28 0.42 0.11 0.00 -1.81 0.00 0.00 57.70 56.14 3des n MET 191 Cb 0.67 -4.46 0.48 0.00 -0.71 0.00 0.00 33.22 29.20 3des n MET 191 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3des h GLY 192 N 0.00 0.00 -3.19 3.03 0.00 -1.13 -3.33 103.07 98.45 3des h GLY 192 Ca -0.03 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.81 3des h GLY 192 CO 0.05 0.00 -0.33 -0.19 0.00 0.00 0.00 176.54 176.07 3des s TYR 193 N -3.64 3.48 0.69 5.60 2.02 -0.35 -4.83 117.35 120.31 3des s TYR 193 Ca 0.01 0.20 -0.05 0.00 -0.37 0.00 0.00 57.07 56.86 3des s TYR 193 Cb 0.10 -1.75 0.07 0.00 -0.40 0.00 0.00 41.96 39.98 3des s TYR 193 CO 0.62 0.32 0.98 0.95 -1.57 0.00 0.00 175.55 176.86 3des s THR 194 N -2.06 2.32 0.11 -0.71 -4.23 -1.26 -4.11 115.64 105.70 3des s THR 194 Ca 0.37 -0.38 -0.27 0.00 -1.18 0.00 0.00 61.69 60.23 3des s THR 194 Cb -0.10 -2.94 -0.08 0.00 1.34 0.00 0.00 72.50 70.73 3des s THR 194 CO 0.31 0.00 1.64 1.56 -0.54 0.00 0.00 174.62 177.59 3des h GLN 195 N -0.53 -0.45 -0.44 3.99 4.20 -1.92 -0.01 115.11 119.96 3des h GLN 195 Ca -0.43 0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.25 3des h GLN 195 Cb 1.30 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 29.16 3des h GLN 195 CO 0.54 -0.30 0.01 0.87 -0.67 0.00 0.00 178.83 179.29 3des h LYS 196 N -0.46 0.71 -0.50 1.46 1.79 -1.98 -2.20 116.57 115.38 3des h LYS 196 Ca 0.03 -0.17 -0.05 0.00 -2.18 0.00 0.00 60.65 58.28 3des h LYS 196 Cb 0.49 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 3des h LYS 196 CO -0.16 0.71 0.12 0.93 -1.08 0.00 0.00 179.45 179.98 3des h GLU 197 N 0.67 0.81 -0.73 3.15 5.08 -1.87 -0.64 114.58 121.05 3des h GLU 197 Ca 0.14 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3des h GLU 197 Cb 0.40 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3des h GLU 197 CO 0.01 0.78 0.45 0.00 -1.00 0.00 0.00 179.01 179.25 3des h ALA 198 N 0.99 0.96 -0.36 3.43 0.00 -0.62 -0.28 119.26 123.38 3des h ALA 198 Ca 0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3des h ALA 198 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3des h ALA 198 CO 0.00 0.21 -0.19 0.28 0.00 0.00 0.00 179.25 179.55 3des h VAL 199 N 0.86 1.29 -0.90 0.00 2.07 -1.19 -2.73 116.25 115.65 3des h VAL 199 Ca 0.30 -1.32 0.02 0.00 0.82 0.00 0.00 66.70 66.52 3des h VAL 199 Cb 0.06 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 3des h VAL 199 CO -0.13 0.43 0.59 -0.08 0.02 0.00 0.00 177.57 178.41 3des h GLU 200 N 0.55 1.14 0.27 1.57 4.57 -0.57 -0.69 114.58 121.43 3des h GLU 200 Ca 0.08 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3des h GLU 200 Cb 0.74 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 3des h GLU 200 CO 0.06 0.76 -0.23 0.35 -1.18 0.00 0.00 179.01 178.76 3des h PHE 201 N 1.18 -0.62 -0.43 0.92 3.57 -0.92 0.07 116.94 120.70 3des h PHE 201 Ca 0.34 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.86 3des h PHE 201 Cb -0.07 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 3des h PHE 201 CO -0.01 -0.35 0.26 0.00 -2.23 0.00 0.00 178.31 175.98 3des h ALA 202 N 0.14 0.55 -0.37 2.41 0.00 -1.17 -2.00 119.26 118.83 3des h ALA 202 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3des h ALA 202 Cb 0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3des h ALA 202 CO -0.03 -0.06 0.19 0.00 0.00 0.00 0.00 179.25 179.34 3des h ARG 203 N 0.52 0.53 -0.50 0.00 3.08 -0.99 0.77 114.38 117.80 3des h ARG 203 Ca 0.17 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.20 3des h ARG 203 Cb 0.01 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 3des h ARG 203 CO -0.08 0.46 0.22 0.00 -1.07 0.00 0.00 179.97 179.51 3des h ALA 204 N 1.04 0.62 -0.35 0.04 0.00 -0.74 0.41 119.26 120.28 3des h ALA 204 Ca 0.13 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 3des h ALA 204 Cb 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3des h ALA 204 CO -0.02 -0.14 -0.41 0.28 0.00 0.00 0.00 179.25 178.96 3des h VAL 205 N 0.44 1.28 -0.85 0.00 2.07 -1.20 -3.05 116.25 114.93 3des h VAL 205 Ca 0.23 -1.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 3des h VAL 205 Cb 0.17 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3des h VAL 205 CO -0.19 0.53 0.43 0.22 0.02 0.00 0.00 177.57 178.58 3des h TYR 206 N 0.71 1.21 0.00 1.57 3.20 -0.38 -2.19 116.97 121.09 3des h TYR 206 Ca 0.05 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3des h TYR 206 Cb 1.00 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 3des h TYR 206 CO 0.06 0.86 -0.04 1.96 -1.64 0.00 0.00 178.16 179.36 3des h GLN 207 N 1.20 0.00 -0.05 1.82 1.08 -0.82 -0.27 115.11 118.07 3des h GLN 207 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 3des h GLN 207 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3des h GLN 207 CO -0.04 0.04 0.00 1.63 -0.95 0.00 0.00 178.83 179.50 3des n LYS 208 N -3.79 1.40 -0.82 1.46 4.76 -0.85 -4.89 118.16 115.43 3des n LYS 208 Ca -0.03 -0.59 0.00 0.00 -2.87 0.00 0.00 58.31 54.83 3des n LYS 208 Cb 0.13 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 3des n LYS 208 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3des n GLY 209 N 1.05 0.58 3.79 0.72 0.00 -0.11 -5.04 105.19 106.18 3des n GLY 209 Ca 0.18 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 4.87 -0.11 -0.61 1.01 -1.04 -5.04 121.20 118.28 3des s ILE 210 Ca 0.00 1.16 -0.01 0.00 0.00 0.00 0.00 60.65 61.80 3des s ILE 210 Cb 0.00 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 3des s ILE 210 CO 0.00 0.49 -0.06 -0.62 0.00 0.00 0.00 174.94 174.75 3des s ASP 211 N -0.63 4.65 -0.23 3.58 2.15 -1.26 -4.10 116.67 120.82 3des s ASP 211 Ca 0.29 -0.10 -0.05 0.00 0.43 0.00 0.00 52.55 53.12 3des s ASP 211 Cb -0.18 -1.49 -0.02 0.00 -0.30 0.00 0.00 42.92 40.93 3des s ASP 211 CO 0.17 0.26 0.01 -0.63 -0.17 0.00 0.00 175.17 174.81 3des s ILE 212 N -0.18 3.83 0.13 4.11 -1.09 -1.26 -4.32 121.20 122.42 3des s ILE 212 Ca 0.03 -0.34 -0.15 0.00 -2.23 0.00 0.00 60.65 57.96 3des s ILE 212 Cb -0.13 -2.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 3des s ILE 212 CO 0.03 0.39 1.63 0.00 -1.23 0.00 0.00 174.94 175.75 3des h ALA 213 N 8.10 0.57 -3.05 9.38 0.00 -0.51 -3.40 119.26 130.36 3des h ALA 213 Ca -0.40 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.12 3des h ALA 213 Cb 1.17 -0.16 -0.29 0.00 0.00 0.00 0.00 17.79 18.51 3des h ALA 213 CO 0.59 0.27 -0.47 0.08 0.00 0.00 0.00 179.25 179.72 3des s VAL 214 N -5.26 -0.03 -0.48 0.00 1.01 -1.22 -4.43 120.40 109.98 3des s VAL 214 Ca -0.13 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 3des s VAL 214 Cb 0.10 -0.38 0.13 0.00 0.00 0.00 0.00 36.38 36.24 3des s VAL 214 CO 0.78 0.04 0.30 -0.47 0.00 0.00 0.00 175.10 175.76 3des s TYR 215 N 0.95 3.52 0.10 5.22 5.04 0.24 -1.04 117.35 131.38 3des s TYR 215 Ca -0.07 -2.35 -0.30 0.00 -2.44 0.00 0.00 57.07 51.91 3des s TYR 215 Cb -0.08 -3.30 -0.06 0.00 0.35 0.00 0.00 41.96 38.87 3des s TYR 215 CO -0.06 -0.95 1.03 -1.21 -1.34 0.00 0.00 175.55 173.02 3des s GLU 216 N 0.90 4.61 -0.00 4.97 2.02 0.13 -0.89 118.70 130.43 3des s GLU 216 Ca 0.10 1.56 -0.00 0.00 0.02 0.00 0.00 54.97 56.65 3des s GLU 216 Cb -0.23 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 30.64 3des s GLU 216 CO -0.03 0.07 0.00 0.94 0.02 0.00 0.00 175.26 176.26 3des n GLN 217 N 3.03 -0.01 0.16 1.61 -0.06 0.55 -2.36 117.38 120.31 3des n GLN 217 Ca 0.04 0.01 0.02 0.00 -2.00 0.00 0.00 57.00 55.07 3des n GLN 217 Cb 0.48 -0.01 0.24 0.00 -4.06 0.00 0.00 30.24 26.89 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 0.39 0.00 -5.62 3.69 0.13 -1.82 0.40 132.00 129.16 3des h PRO 218 Ca -0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 3des h PRO 218 Cb 0.01 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 3des h PRO 218 CO 0.00 0.50 -0.50 0.14 -0.23 0.00 0.00 178.00 177.92 3des s VAL 219 N -3.56 1.75 0.60 1.56 -7.23 -1.26 -1.21 120.40 111.05 3des s VAL 219 Ca -0.00 -1.83 -0.18 0.00 -1.81 0.00 0.00 61.98 58.15 3des s VAL 219 Cb 0.12 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 3des s VAL 219 CO 0.73 0.00 0.89 0.54 -0.31 0.00 0.00 175.10 176.95 3des n ARG 220 N -1.27 0.82 -0.05 4.82 1.74 -1.25 -4.23 116.66 117.24 3des n ARG 220 Ca -0.08 0.32 0.12 0.00 -0.77 0.00 0.00 57.85 57.44 3des n ARG 220 Cb 0.66 -2.09 0.52 0.00 -1.02 0.00 0.00 32.46 30.53 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 0.42 0.34 0.00 5.56 0.11 -1.92 -2.18 114.38 116.72 3des h ARG 221 Ca -0.48 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.58 3des h ARG 221 Cb 1.37 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3des h ARG 221 CO 0.50 0.23 -0.38 0.39 0.10 0.00 0.00 179.97 180.80 3des n GLU 222 N -4.47 0.25 -1.79 0.08 -0.58 -1.26 -4.50 120.64 108.36 3des n GLU 222 Ca 0.09 0.12 -0.42 0.00 -0.42 0.00 0.00 57.16 56.52 3des n GLU 222 Cb 0.36 -1.70 -0.00 0.00 -0.57 0.00 0.00 31.44 29.53 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 -2.08 4.68 -0.26 1.62 2.03 -0.82 -4.68 116.55 117.03 3des n ASP 223 Ca 0.04 -2.86 -0.06 0.00 0.52 0.00 0.00 54.79 52.43 3des n ASP 223 Cb 0.42 -1.61 0.05 0.00 -0.72 0.00 0.00 41.12 39.26 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 3.82 1.25 -0.54 5.18 1.08 -1.83 -1.09 117.51 125.37 3des h ILE 224 Ca 0.58 -0.75 -0.02 0.00 -0.39 0.00 0.00 64.86 64.28 3des h ILE 224 Cb 0.59 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 3des h ILE 224 CO 1.83 0.31 0.27 -0.33 -0.69 0.00 0.00 178.15 179.53 3des h GLU 225 N 1.03 0.75 -0.52 2.37 5.08 -1.98 -1.48 114.58 119.84 3des h GLU 225 Ca 0.24 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3des h GLU 225 Cb 0.19 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3des h GLU 225 CO -0.02 0.58 0.04 0.78 -1.00 0.00 0.00 179.01 179.39 3des h GLY 226 N 0.85 0.96 0.96 -3.84 0.00 -1.68 0.14 103.07 100.46 3des h GLY 226 Ca 0.19 -0.67 0.01 0.00 0.00 0.00 0.00 47.33 46.86 3des h GLY 226 CO -0.03 0.62 0.43 1.41 0.00 0.00 0.00 176.54 178.98 3des h LEU 227 N 0.76 0.74 -0.59 3.11 3.38 -0.57 -1.24 115.31 120.91 3des h LEU 227 Ca 0.15 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3des h LEU 227 Cb 0.46 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3des h LEU 227 CO 0.02 0.53 0.20 0.50 0.09 0.00 0.00 178.44 179.78 3des h LYS 228 N 0.88 0.90 -0.65 1.13 3.64 -0.90 -1.20 116.57 120.37 3des h LYS 228 Ca 0.25 -0.19 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 3des h LYS 228 Cb -0.07 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.57 3des h LYS 228 CO -0.07 0.80 0.38 0.35 -2.27 0.00 0.00 179.45 178.65 3des h PHE 229 N 0.83 0.72 -0.48 1.91 3.57 -0.13 -0.74 116.94 122.61 3des h PHE 229 Ca 0.19 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.62 3des h PHE 229 Cb 0.26 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3des h PHE 229 CO 0.02 0.39 -0.08 0.28 -2.23 0.00 0.00 178.31 176.68 3des h VAL 230 N 0.74 1.27 -0.52 1.41 2.07 -0.99 -2.13 116.25 118.10 3des h VAL 230 Ca 0.27 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.63 3des h VAL 230 Cb 0.08 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3des h VAL 230 CO -0.13 0.42 0.28 -0.09 0.02 0.00 0.00 177.57 178.06 3des h ARG 231 N 0.76 0.53 0.00 1.57 2.43 -0.63 -0.23 114.38 118.81 3des h ARG 231 Ca 0.13 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3des h ARG 231 Cb 0.62 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3des h ARG 231 CO 0.04 0.35 0.00 1.19 -1.51 0.00 0.00 179.97 180.04 3des n PHE 232 N -4.85 0.00 -0.73 2.20 3.01 -0.34 -3.71 117.46 113.04 3des n PHE 232 Ca 0.04 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.53 3des n PHE 232 Cb 0.12 -0.40 0.03 0.00 -0.01 0.00 0.00 39.48 39.22 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 -4.62 1.38 8.25 -0.81 -5.03 115.22 112.99 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 0.29 -0.06 -0.16 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.20 1.70 0.17 0.41 0.15 -0.14 -4.93 113.70 109.87 3des s SER 234 Ca 0.07 -0.27 0.20 0.00 0.70 0.00 0.00 55.95 56.65 3des s SER 234 Cb 0.06 -0.48 0.85 0.00 -1.71 0.00 0.00 66.02 64.74 3des s SER 234 CO 0.01 0.11 1.61 -0.81 1.20 0.00 0.00 173.24 175.36 3des n PRO 235 N 3.25 0.13 -4.00 5.44 -0.04 -1.26 -4.81 135.00 133.70 3des n PRO 235 Ca -0.18 0.38 -0.29 0.00 -0.04 0.00 0.00 63.50 63.37 3des n PRO 235 Cb 0.53 -1.75 -0.05 0.00 -0.04 0.00 0.00 33.50 32.19 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 -3.22 3.32 0.11 0.54 0.08 -1.26 -5.05 117.98 112.49 3des s PHE 236 Ca 0.05 0.10 -0.31 0.00 0.12 0.00 0.00 56.93 56.89 3des s PHE 236 Cb 0.09 -1.63 -0.10 0.00 -0.57 0.00 0.00 43.02 40.80 3des s PHE 236 CO 0.33 0.54 1.87 -2.30 -0.10 0.00 0.00 175.22 175.56 3des n PRO 237 N -0.01 2.83 -3.77 0.24 -0.02 -1.26 -4.85 135.00 128.16 3des n PRO 237 Ca -0.07 1.03 -0.37 0.00 -2.02 0.00 0.00 63.50 62.07 3des n PRO 237 Cb 0.53 -2.94 -0.06 0.00 -0.02 0.00 0.00 33.50 31.00 3des n PRO 237 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3des s VAL 238 N 3.09 5.41 0.11 -1.45 1.01 -1.26 -0.59 120.40 126.72 3des s VAL 238 Ca 0.83 0.31 0.10 0.00 0.00 0.00 0.00 61.98 63.23 3des s VAL 238 Cb -0.47 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3des s VAL 238 CO 0.38 0.56 -0.24 0.00 0.00 0.00 0.00 175.10 175.80 3des s ALA 239 N -0.63 2.46 -0.16 5.51 0.00 -0.07 -0.80 121.76 128.07 3des s ALA 239 Ca 0.15 -1.41 -0.08 0.00 0.00 0.00 0.00 51.96 50.63 3des s ALA 239 Cb -0.12 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 3des s ALA 239 CO 0.04 0.56 0.10 0.00 0.00 0.00 0.00 175.76 176.46 3des s ALA 240 N -1.05 3.64 0.00 0.00 0.00 -0.08 -0.33 121.76 123.93 3des s ALA 240 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.41 3des s ALA 240 Cb -0.10 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.04 3des s ALA 240 CO 0.07 0.34 0.00 -3.47 0.00 0.00 0.00 175.76 172.70 3des n ASP 241 N 2.94 0.00 0.22 0.00 -0.08 -1.26 -1.01 116.55 117.36 3des n ASP 241 Ca -0.18 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.25 3des n ASP 241 Cb 0.53 0.00 0.78 0.00 2.34 0.00 0.00 41.12 44.77 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 0.16 114.58 115.21 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 -0.01 0.43 -1.40 0.00 0.00 179.01 178.03 3des n SER 243 N -4.10 0.02 -3.93 1.42 7.64 -1.26 -4.52 113.62 108.89 3des n SER 243 Ca 0.00 0.28 -0.30 0.00 1.01 0.00 0.00 58.87 59.87 3des n SER 243 Cb 0.24 -0.42 -0.14 0.00 -1.01 0.00 0.00 64.21 62.88 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 -2.87 3.26 -0.18 -0.43 0.00 0.04 -4.83 121.76 116.75 3des s ALA 244 Ca 0.18 -3.27 -0.03 0.00 0.00 0.00 0.00 51.96 48.84 3des s ALA 244 Cb 0.19 -2.14 -0.10 0.00 0.00 0.00 0.00 23.12 21.08 3des s ALA 244 CO 0.51 -2.03 -0.19 0.54 0.00 0.00 0.00 175.76 174.59 3des n ARG 245 N 3.05 0.41 -3.77 0.00 1.74 -1.26 -4.85 116.66 111.98 3des n ARG 245 Ca 0.06 0.13 -0.23 0.00 -0.77 0.00 0.00 57.85 57.05 3des n ARG 245 Cb 0.32 -1.26 -0.04 0.00 -1.02 0.00 0.00 32.46 30.46 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 -2.34 2.43 0.27 0.55 -4.23 -1.26 -3.39 115.64 107.66 3des s THR 246 Ca -0.24 -1.47 0.23 0.00 -1.18 0.00 0.00 61.69 59.02 3des s THR 246 Cb 0.08 -2.90 0.21 0.00 1.34 0.00 0.00 72.50 71.23 3des s THR 246 CO 0.37 0.00 1.89 0.07 -0.54 0.00 0.00 174.62 176.41 3des h LYS 247 N 1.11 0.00 -0.07 3.99 2.10 -1.95 -2.49 116.57 119.27 3des h LYS 247 Ca -0.41 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.04 3des h LYS 247 Cb 1.27 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3des h LYS 247 CO 0.61 0.24 -0.79 0.74 -2.00 0.00 0.00 179.45 178.26 3des h PHE 248 N 0.00 0.65 -0.44 0.07 0.04 -1.97 -1.24 116.94 114.05 3des h PHE 248 Ca -0.00 -0.30 -0.03 0.00 2.80 0.00 0.00 57.97 60.44 3des h PHE 248 Cb 0.63 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 3des h PHE 248 CO 0.00 1.08 0.17 -0.44 -0.60 0.00 0.00 178.31 178.52 3des h ASP 249 N 0.31 0.60 -0.32 2.17 3.32 -1.81 -1.26 116.42 119.44 3des h ASP 249 Ca -0.05 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 3des h ASP 249 Cb 1.38 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 3des h ASP 249 CO 0.14 0.61 0.08 0.58 -1.72 0.00 0.00 179.24 178.93 3des h VAL 250 N 0.56 1.22 -0.98 -1.35 2.07 -1.41 0.14 116.25 116.50 3des h VAL 250 Ca 0.14 -0.72 0.11 0.00 0.82 0.00 0.00 66.70 67.05 3des h VAL 250 Cb 0.20 1.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 3des h VAL 250 CO -0.01 0.24 0.62 -0.03 0.02 0.00 0.00 177.57 178.41 3des h MET 251 N 0.35 0.97 -0.29 1.57 -1.53 -1.09 0.90 114.93 115.82 3des h MET 251 Ca 0.10 -0.06 -0.12 0.00 -3.44 0.00 0.00 59.70 56.18 3des h MET 251 Cb 0.29 -0.22 -0.00 0.00 -0.55 0.00 0.00 31.60 31.11 3des h MET 251 CO 0.00 0.64 -0.29 -0.09 0.14 0.00 0.00 176.91 177.32 3des h ARG 252 N 1.00 0.70 -0.73 0.39 2.43 -0.50 -1.95 114.38 115.72 3des h ARG 252 Ca 0.47 -0.37 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3des h ARG 252 Cb 0.42 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3des h ARG 252 CO -0.23 0.98 0.35 -0.07 -1.51 0.00 0.00 179.97 179.50 3des h LEU 253 N 0.44 0.93 -0.08 3.80 3.38 0.49 -1.28 115.31 122.98 3des h LEU 253 Ca 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3des h LEU 253 Cb 0.85 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3des h LEU 253 CO 0.07 0.79 -0.00 0.58 0.09 0.00 0.00 178.44 179.96 3des h VAL 254 N 1.03 1.26 -1.00 1.22 2.07 -0.81 -0.94 116.25 119.08 3des h VAL 254 Ca 0.25 -0.83 0.11 0.00 0.82 0.00 0.00 66.70 67.06 3des h VAL 254 Cb 0.10 1.65 -0.08 0.00 -1.52 0.00 0.00 31.29 31.44 3des h VAL 254 CO -0.03 0.23 0.63 0.11 0.02 0.00 0.00 177.57 178.53 3des h LYS 255 N -0.14 0.98 -0.00 1.57 1.57 -1.09 -0.65 116.57 118.81 3des h LYS 255 Ca 0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3des h LYS 255 Cb 0.37 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3des h LYS 255 CO 0.01 0.65 -0.08 0.39 -0.57 0.00 0.00 179.45 179.84 3des n GLU 256 N -4.61 0.41 -3.36 3.15 -0.58 -0.51 -4.90 120.64 110.24 3des n GLU 256 Ca 0.18 -0.08 -0.24 0.00 -0.42 0.00 0.00 57.16 56.60 3des n GLU 256 Cb 0.33 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.73 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 -1.22 -5.00 0.08 3.49 1.02 -0.25 -4.88 120.64 113.87 3des n GLU 257 Ca 0.12 0.72 -0.05 0.00 -0.02 0.00 0.00 57.16 57.93 3des n GLU 257 Cb 0.28 -5.57 0.11 0.00 -0.02 0.00 0.00 31.44 26.24 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 0.99 0.83 -2.44 0.62 0.00 -1.56 -3.46 119.26 114.23 3des h ALA 258 Ca -0.52 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 53.69 3des h ALA 258 Cb 1.35 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 3des h ALA 258 CO 0.58 0.73 -0.58 0.14 0.00 0.00 0.00 179.25 180.12 3des s VAL 259 N -3.75 0.12 -0.07 0.00 -7.23 -1.26 -2.90 120.40 105.30 3des s VAL 259 Ca -0.04 -1.76 0.14 0.00 -1.81 0.00 0.00 61.98 58.50 3des s VAL 259 Cb 0.12 -1.89 -0.22 0.00 0.56 0.00 0.00 36.38 34.94 3des s VAL 259 CO 0.80 -0.53 0.61 0.47 -0.31 0.00 0.00 175.10 176.15 3des n ASP 260 N -0.08 0.77 -4.17 4.85 8.00 -0.05 -4.88 116.55 121.00 3des n ASP 260 Ca -0.08 0.36 -0.13 0.00 0.71 0.00 0.00 54.79 55.66 3des n ASP 260 Cb 0.63 0.09 -0.11 0.00 -0.02 0.00 0.00 41.12 41.72 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 -2.62 0.97 -0.05 1.24 1.51 0.02 -1.64 117.35 116.78 3des s TYR 261 Ca -0.05 -0.74 0.02 0.00 -1.01 0.00 0.00 57.07 55.29 3des s TYR 261 Cb 0.08 -0.54 0.01 0.00 -0.11 0.00 0.00 41.96 41.40 3des s TYR 261 CO 0.82 -0.06 -0.10 0.08 -1.11 0.00 0.00 175.55 175.19 3des s VAL 262 N -2.81 0.93 -0.64 0.71 1.01 -0.78 -0.90 120.40 117.92 3des s VAL 262 Ca 0.07 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 61.47 3des s VAL 262 Cb -0.00 -0.86 0.11 0.00 0.00 0.00 0.00 36.38 35.63 3des s VAL 262 CO -0.02 0.30 0.77 0.21 0.00 0.00 0.00 175.10 176.37 3des s ASN 263 N 0.56 6.25 0.27 3.32 3.84 -0.18 -2.23 114.94 126.77 3des s ASN 263 Ca -0.10 -1.50 -0.29 0.00 0.21 0.00 0.00 52.86 51.17 3des s ASN 263 Cb -0.13 -2.32 -0.09 0.00 -0.55 0.00 0.00 41.25 38.15 3des s ASN 263 CO 0.02 -1.12 1.04 -0.63 -2.79 0.00 0.00 177.10 173.62 3des s ILE 264 N 2.70 3.69 -0.02 -5.21 1.01 -0.02 -4.75 121.20 118.61 3des s ILE 264 Ca 0.15 1.69 -0.00 0.00 0.00 0.00 0.00 60.65 62.49 3des s ILE 264 Cb -0.21 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.22 3des s ILE 264 CO 0.05 0.39 0.04 -0.54 0.00 0.00 0.00 174.94 174.87 3des s LYS 265 N -1.40 -0.04 0.43 2.79 1.02 -1.26 -0.83 119.74 120.46 3des s LYS 265 Ca 0.44 0.21 0.11 0.00 0.02 0.00 0.00 55.97 56.75 3des s LYS 265 Cb -0.29 -0.28 0.95 0.00 -0.52 0.00 0.00 37.83 37.69 3des s LYS 265 CO 0.37 -0.19 2.03 -0.07 -0.92 0.00 0.00 175.35 176.57 3des h LEU 266 N 7.42 0.23 -2.09 3.17 3.38 -1.85 -0.94 115.31 124.63 3des h LEU 266 Ca -0.42 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3des h LEU 266 Cb 1.12 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3des h LEU 266 CO 0.44 0.26 0.00 0.24 0.09 0.00 0.00 178.44 179.47 3des h MET 267 N 0.25 0.00 0.01 1.13 2.86 -1.91 0.50 114.93 117.77 3des h MET 267 Ca 0.06 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.31 3des h MET 267 Cb 0.14 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.73 3des h MET 267 CO -0.00 0.00 -2.43 1.63 1.06 0.00 0.00 176.91 177.16 3des n LYS 268 N -2.88 0.66 -0.02 1.72 5.02 -0.47 -2.85 118.16 119.33 3des n LYS 268 Ca -0.01 0.17 0.05 0.00 -2.02 0.00 0.00 58.31 56.50 3des n LYS 268 Cb 0.15 -1.54 -0.11 0.00 -0.02 0.00 0.00 35.03 33.51 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 -3.36 1.59 -0.06 4.39 7.64 -0.51 -4.70 113.62 118.62 3des n SER 269 Ca -0.45 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.43 3des n SER 269 Cb 0.99 1.55 -0.00 0.00 -1.01 0.00 0.00 64.21 65.73 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 1.73 -1.56 0.18 0.23 0.00 0.17 -3.42 105.19 102.53 3des n GLY 270 Ca -0.06 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.05 1.31 0.13 -0.61 1.08 -1.83 -2.72 117.51 114.82 3des h ILE 271 Ca -0.00 -1.31 0.02 0.00 -0.39 0.00 0.00 64.86 63.18 3des h ILE 271 Cb 0.05 1.60 -0.03 0.00 -3.07 0.00 0.00 36.82 35.37 3des h ILE 271 CO 0.00 0.41 -0.25 0.77 -0.69 0.00 0.00 178.15 178.39 3des h SER 272 N 0.29 -0.71 0.39 1.72 4.64 -1.96 -1.13 113.55 116.79 3des h SER 272 Ca 0.05 0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.34 3des h SER 272 Cb 0.72 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3des h SER 272 CO 0.05 -0.34 -0.49 0.44 -0.87 0.00 0.00 176.83 175.62 3des h ASP 273 N -0.46 0.13 -0.74 4.97 5.19 -1.67 -2.66 116.42 121.17 3des h ASP 273 Ca 0.03 -0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.35 3des h ASP 273 Cb 0.48 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.92 3des h ASP 273 CO -0.13 0.60 0.36 0.00 -3.12 0.00 0.00 179.24 176.94 3des h ALA 274 N 1.41 0.96 -0.53 3.45 0.00 -1.13 0.11 119.26 123.52 3des h ALA 274 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3des h ALA 274 Cb 0.90 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3des h ALA 274 CO 0.07 0.52 -0.02 -0.07 0.00 0.00 0.00 179.25 179.75 3des h LEU 275 N 1.04 0.90 -0.48 0.00 3.38 -1.04 -1.43 115.31 117.67 3des h LEU 275 Ca 0.26 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3des h LEU 275 Cb 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3des h LEU 275 CO -0.03 0.97 0.09 0.00 0.09 0.00 0.00 178.44 179.56 3des h ALA 276 N 1.12 0.64 -0.50 1.53 0.00 -1.03 -2.36 119.26 118.65 3des h ALA 276 Ca 0.15 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3des h ALA 276 Cb 0.53 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3des h ALA 276 CO 0.03 0.36 0.11 0.82 0.00 0.00 0.00 179.25 180.57 3des h ILE 277 N 0.67 1.22 -0.27 0.00 2.04 -0.56 0.11 117.51 120.71 3des h ILE 277 Ca 0.15 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3des h ILE 277 Cb 0.38 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3des h ILE 277 CO 0.01 0.29 0.14 0.58 0.00 0.00 0.00 178.15 179.17 3des h VAL 278 N 0.74 1.13 -0.70 1.67 2.07 -1.00 -0.10 116.25 120.07 3des h VAL 278 Ca 0.16 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 3des h VAL 278 Cb 0.29 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3des h VAL 278 CO -0.00 0.13 0.19 -0.33 0.02 0.00 0.00 177.57 177.58 3des h GLU 279 N 0.32 1.09 -0.40 1.57 4.39 -1.04 -1.41 114.58 119.10 3des h GLU 279 Ca 0.09 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 3des h GLU 279 Cb 0.08 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3des h GLU 279 CO -0.01 0.95 0.15 0.82 -1.16 0.00 0.00 179.01 179.75 3des h ILE 280 N 1.04 1.20 -0.45 3.13 2.04 -0.63 -2.10 117.51 121.76 3des h ILE 280 Ca 0.22 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 3des h ILE 280 Cb 0.33 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3des h ILE 280 CO -0.00 0.23 0.20 0.00 0.00 0.00 0.00 178.15 178.58 3des h ALA 281 N 0.99 0.58 0.00 1.87 0.00 -0.81 -2.27 119.26 119.62 3des h ALA 281 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3des h ALA 281 Cb 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3des h ALA 281 CO -0.01 0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.79 3des n GLU 282 N -4.63 0.03 -0.33 0.00 1.02 -0.55 -1.96 120.64 114.22 3des n GLU 282 Ca 0.01 0.24 0.08 0.00 -0.02 0.00 0.00 57.16 57.47 3des n GLU 282 Cb 0.13 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.29 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 -1.47 3.60 -1.11 1.62 7.64 -0.81 -5.00 113.62 118.10 3des n SER 283 Ca 0.04 -2.19 -0.01 0.00 1.01 0.00 0.00 58.87 57.72 3des n SER 283 Cb 0.16 -0.39 -0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 0.77 -0.09 -0.01 6.43 3.41 -0.83 -5.03 113.62 118.27 3des n SER 284 Ca 0.18 -1.11 0.14 0.00 -0.26 0.00 0.00 58.87 57.83 3des n SER 284 Cb 0.61 0.16 0.68 0.00 -0.26 0.00 0.00 64.21 65.40 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 -0.03 -1.31 3.77 5.00 0.00 -1.26 -4.90 105.19 106.45 3des n GLY 285 Ca -0.00 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.71 4.14 0.25 0.99 2.96 -1.26 -5.00 118.68 118.04 3des s LEU 286 Ca 0.23 2.90 0.11 0.00 -0.22 0.00 0.00 54.13 57.15 3des s LEU 286 Cb 0.20 -3.91 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 3des s LEU 286 CO 0.49 -1.12 -0.17 -0.54 -1.32 0.00 0.00 176.35 173.70 3des s LYS 287 N -2.40 1.76 0.23 1.98 1.02 -0.65 -4.61 119.74 117.06 3des s LYS 287 Ca 0.60 -1.61 0.07 0.00 0.02 0.00 0.00 55.97 55.05 3des s LYS 287 Cb -0.43 -1.88 -0.05 0.00 -0.52 0.00 0.00 37.83 34.95 3des s LYS 287 CO 0.56 0.36 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.72 3des s LEU 288 N -3.25 2.52 0.00 3.17 1.43 -1.26 -1.87 118.68 119.42 3des s LEU 288 Ca 0.27 -1.08 -0.06 0.00 -1.03 0.00 0.00 54.13 52.24 3des s LEU 288 Cb -0.06 -0.65 -0.00 0.00 0.03 0.00 0.00 46.19 45.50 3des s LEU 288 CO 0.14 -0.23 0.11 0.00 0.23 0.00 0.00 176.35 176.60 3des s MET 289 N -3.67 0.43 -0.09 1.70 0.23 -0.95 -1.55 119.30 115.40 3des s MET 289 Ca 0.25 -0.40 0.01 0.00 -1.03 0.00 0.00 55.69 54.52 3des s MET 289 Cb 0.01 0.17 -0.02 0.00 -1.53 0.00 0.00 34.83 33.46 3des s MET 289 CO 0.08 -0.10 -0.10 -1.50 -2.03 0.00 0.00 175.02 171.38 3des s ILE 290 N -1.29 3.43 0.00 3.16 2.07 -0.88 -0.84 121.20 126.85 3des s ILE 290 Ca -0.14 -0.56 0.00 0.00 -1.41 0.00 0.00 60.65 58.54 3des s ILE 290 Cb -0.08 -2.41 0.00 0.00 0.13 0.00 0.00 42.46 40.10 3des s ILE 290 CO 0.01 0.56 0.00 0.61 -1.91 0.00 0.00 174.94 174.21 3des n GLY 291 N 2.76 5.49 3.60 1.50 0.00 -0.01 -0.53 105.19 118.01 3des n GLY 291 Ca -0.18 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.48 0.00 -0.72 0.00 2.81 -1.26 -5.00 117.12 112.47 3des n MET 293 Ca -0.02 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.93 3des n MET 293 Cb 0.61 0.00 0.18 0.00 -0.71 0.00 0.00 33.22 33.31 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 4.80 4.58 3.71 3.03 0.00 -1.26 -4.78 105.19 115.28 3des n GLY 294 Ca 0.00 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 3des n GLY 294 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3des n GLU 295 N -0.90 1.12 -1.35 1.61 4.71 -1.26 -4.88 120.64 119.68 3des n GLU 295 Ca 0.17 0.44 -0.09 0.00 -0.01 0.00 0.00 57.16 57.67 3des n GLU 295 Cb 0.75 -2.48 0.05 0.00 -1.01 0.00 0.00 31.44 28.75 3des n GLU 295 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3des n SER 296 N -1.67 0.51 -0.27 1.62 3.41 -1.26 -3.13 113.62 112.82 3des n SER 296 Ca 0.15 -1.43 0.02 0.00 -0.26 0.00 0.00 58.87 57.35 3des n SER 296 Cb 0.48 -0.25 0.15 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.24 0.62 -0.81 4.04 4.64 -1.94 -0.24 113.55 119.61 3des h SER 297 Ca -0.13 0.05 0.05 0.00 -0.47 0.00 0.00 61.79 61.29 3des h SER 297 Cb 0.47 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.44 3des h SER 297 CO 0.14 0.36 0.53 0.25 -0.87 0.00 0.00 176.83 177.24 3des h LEU 298 N 0.74 0.82 -0.09 5.97 5.85 -1.94 -1.55 115.31 125.11 3des h LEU 298 Ca 0.37 -0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.92 3des h LEU 298 Cb 0.33 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.19 3des h LEU 298 CO -0.24 0.54 -0.59 1.23 -0.34 0.00 0.00 178.44 179.05 3des h GLY 299 N 0.94 0.62 2.00 3.75 0.00 -1.49 -3.15 103.07 105.74 3des h GLY 299 Ca 0.34 -0.91 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 3des h GLY 299 CO -0.11 0.81 -0.10 -2.22 0.00 0.00 0.00 176.54 174.91 3des h ILE 300 N 0.17 0.93 -0.94 2.60 5.03 -0.77 -1.98 117.51 122.55 3des h ILE 300 Ca -0.05 -0.37 0.18 0.00 -0.12 0.00 0.00 64.86 64.50 3des h ILE 300 Cb 1.24 1.21 -0.08 0.00 -3.03 0.00 0.00 36.82 36.16 3des h ILE 300 CO 0.12 0.10 0.60 -1.13 -0.68 0.00 0.00 178.15 177.16 3des h ASN 301 N 0.00 0.64 -0.45 1.72 -1.24 -1.24 -0.04 115.58 114.96 3des h ASN 301 Ca -0.00 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 3des h ASN 301 Cb 0.20 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 3des h ASN 301 CO 0.01 0.27 0.27 1.56 -1.29 0.00 0.00 177.43 178.26 3des h GLN 302 N 0.65 0.62 -0.11 6.67 4.20 -1.47 -1.83 115.11 123.84 3des h GLN 302 Ca 0.50 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.97 3des h GLN 302 Cb 0.90 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 3des h GLN 302 CO -0.25 0.46 -0.70 0.77 -0.67 0.00 0.00 178.83 178.44 3des h SER 303 N 0.60 0.55 -0.18 1.46 0.02 -1.29 -2.36 113.55 112.36 3des h SER 303 Ca 0.16 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3des h SER 303 Cb 0.00 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3des h SER 303 CO -0.03 1.08 0.11 0.58 -1.14 0.00 0.00 176.83 177.43 3des h VAL 304 N 0.33 1.07 -0.25 2.27 2.07 -0.88 0.30 116.25 121.16 3des h VAL 304 Ca -0.02 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3des h VAL 304 Cb 1.27 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3des h VAL 304 CO 0.12 0.07 -0.06 0.45 0.02 0.00 0.00 177.57 178.17 3des h HIS 305 N 0.21 0.40 -0.17 1.57 -0.00 -1.35 0.17 115.15 115.98 3des h HIS 305 Ca 0.06 -0.04 -0.07 0.00 -0.00 0.00 0.00 60.37 60.32 3des h HIS 305 Cb 0.01 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.31 3des h HIS 305 CO -0.05 0.45 -0.19 0.35 -0.00 0.00 0.00 177.93 178.49 3des h PHE 306 N 0.37 0.51 -0.17 2.45 3.57 -0.83 -0.80 116.94 122.04 3des h PHE 306 Ca 0.08 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 3des h PHE 306 Cb 0.35 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3des h PHE 306 CO 0.01 0.81 0.04 0.00 -2.23 0.00 0.00 178.31 176.94 3des h ALA 307 N 0.61 0.22 -0.52 2.41 0.00 -0.16 -1.49 119.26 120.33 3des h ALA 307 Ca 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3des h ALA 307 Cb 0.73 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3des h ALA 307 CO 0.05 -0.15 0.31 -0.07 0.00 0.00 0.00 179.25 179.39 3des h LEU 308 N 0.08 0.62 0.00 0.00 3.38 -1.00 0.51 115.31 118.90 3des h LEU 308 Ca 0.05 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3des h LEU 308 Cb 0.25 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3des h LEU 308 CO 0.00 0.50 -0.00 1.23 0.09 0.00 0.00 178.44 180.25 3des h GLY 309 N 0.70 -0.01 1.77 0.83 0.00 -1.06 0.78 103.07 106.08 3des h GLY 309 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.30 3des h GLY 309 CO -0.03 -0.00 -1.13 -0.91 0.00 0.00 0.00 176.54 174.47 3des h THR 310 N -0.33 1.47 -3.59 4.70 1.35 -1.30 -1.43 112.91 113.78 3des h THR 310 Ca -0.00 -3.19 -0.32 0.00 -0.55 0.00 0.00 66.41 62.35 3des h THR 310 Cb 0.33 2.72 -0.01 0.00 -1.73 0.00 0.00 68.15 69.46 3des h THR 310 CO 0.00 0.84 -0.42 0.61 -0.25 0.00 0.00 175.52 176.30 3des n GLY 311 N 1.39 -0.50 0.43 5.82 0.00 0.18 -4.81 105.19 107.69 3des n GLY 311 Ca -0.04 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.24 2.56 -2.51 4.61 0.00 -1.26 -4.94 120.51 116.74 3des n ALA 312 Ca -0.18 -0.43 -0.33 0.00 0.00 0.00 0.00 53.44 52.50 3des n ALA 312 Cb 0.64 -1.18 -0.13 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.91 2.76 0.09 0.00 0.08 -1.26 -4.47 117.98 113.28 3des s PHE 313 Ca 0.36 -0.12 0.08 0.00 0.12 0.00 0.00 56.93 57.36 3des s PHE 313 Cb 0.19 -1.65 -0.21 0.00 -0.57 0.00 0.00 43.02 40.77 3des s PHE 313 CO 0.30 0.22 1.18 0.93 -0.10 0.00 0.00 175.22 177.75 3des h GLU 314 N 5.34 0.00 -3.93 0.44 4.39 -1.64 -3.46 114.58 115.71 3des h GLU 314 Ca -0.47 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.06 3des h GLU 314 Cb 1.16 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.60 3des h GLU 314 CO 0.51 0.93 -0.68 -0.06 -1.16 0.00 0.00 179.01 178.54 3des s PHE 315 N -2.69 0.23 -0.10 4.33 0.08 -1.25 -5.06 117.98 113.52 3des s PHE 315 Ca 0.00 -0.48 0.01 0.00 0.12 0.00 0.00 56.93 56.57 3des s PHE 315 Cb 0.10 -0.17 0.02 0.00 -0.57 0.00 0.00 43.02 42.39 3des s PHE 315 CO 0.82 -0.19 -0.10 -1.01 -0.10 0.00 0.00 175.22 174.64 3des s HIS 316 N -1.41 1.53 -0.79 0.36 3.76 -1.26 -2.08 115.29 115.39 3des s HIS 316 Ca -0.15 -0.70 0.02 0.00 -0.15 0.00 0.00 55.06 54.07 3des s HIS 316 Cb -0.10 -1.20 0.20 0.00 1.11 0.00 0.00 32.58 32.59 3des s HIS 316 CO -0.01 -0.44 0.64 -3.47 -0.85 0.00 0.00 174.74 170.61 3des n ASP 317 N 4.52 3.60 -3.07 1.40 2.03 0.31 -1.30 116.55 124.05 3des n ASP 317 Ca -0.17 -3.20 -0.26 0.00 0.52 0.00 0.00 54.79 51.69 3des n ASP 317 Cb 0.51 -0.88 -0.05 0.00 -0.72 0.00 0.00 41.12 39.98 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 2.03 3.64 -0.68 -2.67 4.77 -1.26 -2.97 117.00 119.87 3des n LEU 318 Ca 0.21 -5.51 0.07 0.00 -0.03 0.00 0.00 56.01 50.76 3des n LEU 318 Cb 0.36 -0.33 0.12 0.00 -2.33 0.00 0.00 43.42 41.23 3des n LEU 318 CO 0.32 2.29 0.55 -0.90 -1.33 0.00 0.00 177.39 178.32 3des n ASP 319 N 0.08 2.60 -0.20 -1.43 5.75 -1.26 -4.71 116.55 117.38 3des n ASP 319 Ca 0.30 -1.76 0.01 0.00 -0.01 0.00 0.00 54.79 53.32 3des n ASP 319 Cb 0.44 -0.12 0.10 0.00 -1.03 0.00 0.00 41.12 40.51 3des n ASP 319 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 3des h SER 320 N 2.74 -0.28 0.85 -1.12 0.87 -1.86 -0.56 113.55 114.20 3des h SER 320 Ca 0.00 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3des h SER 320 Cb 0.68 0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3des h SER 320 CO 0.00 -0.12 -0.08 1.12 -0.53 0.00 0.00 176.83 177.22 3des h HIS 321 N 0.12 0.00 0.00 2.24 2.07 -1.82 -2.65 115.15 115.11 3des h HIS 321 Ca 0.32 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.84 3des h HIS 321 Cb 0.52 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.50 3des h HIS 321 CO -0.37 0.08 -0.02 -0.07 -3.07 0.00 0.00 177.93 174.48 3des h LEU 322 N 0.00 0.00 -2.01 6.12 3.38 -1.43 -3.08 115.31 118.29 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 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3des h LEU 322 CO 0.01 0.02 0.00 0.23 0.09 0.00 0.00 178.44 178.79 3des n MET 323 N -3.11 2.33 -4.82 1.13 2.81 -1.00 -4.93 117.12 109.53 3des n MET 323 Ca 0.02 -1.99 -0.31 0.00 -1.81 0.00 0.00 57.70 53.61 3des n MET 323 Cb 0.43 -1.49 -0.13 0.00 -0.71 0.00 0.00 33.22 31.32 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 -1.65 2.57 -0.28 4.03 1.43 -1.17 -1.33 118.68 122.28 3des s LEU 324 Ca 0.35 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.80 3des s LEU 324 Cb 0.21 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.93 3des s LEU 324 CO 0.31 0.29 1.18 -0.54 0.23 0.00 0.00 176.35 177.82 3des s LYS 325 N -1.10 4.05 -0.09 1.70 1.02 0.17 -4.86 119.74 120.63 3des s LYS 325 Ca 0.13 1.25 -0.01 0.00 0.02 0.00 0.00 55.97 57.36 3des s LYS 325 Cb -0.10 -3.78 0.03 0.00 -0.52 0.00 0.00 37.83 33.45 3des s LYS 325 CO 0.03 -0.93 -0.02 -2.00 -0.92 0.00 0.00 175.35 171.51 3des s GLU 326 N 3.78 0.89 0.13 1.68 2.12 -1.26 -4.27 118.70 121.76 3des s GLU 326 Ca 0.51 -0.01 -0.20 0.00 0.36 0.00 0.00 54.97 55.63 3des s GLU 326 Cb -0.15 -1.18 -0.03 0.00 0.26 0.00 0.00 34.13 33.03 3des s GLU 326 CO 0.17 -0.30 1.72 0.93 -0.54 0.00 0.00 175.26 177.25 3des h GLU 327 N 8.28 0.07 -4.69 4.30 5.08 -2.02 -3.43 114.58 122.17 3des h GLU 327 Ca -0.23 -0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.68 3des h GLU 327 Cb 1.13 -0.02 -0.31 0.00 0.50 0.00 0.00 28.75 30.05 3des h GLU 327 CO 0.31 0.05 -0.79 0.54 -1.00 0.00 0.00 179.01 178.11 3des s VAL 328 N -6.19 0.87 0.21 3.13 0.11 -1.26 -5.12 120.40 112.15 3des s VAL 328 Ca -0.13 -0.41 -0.31 0.00 -2.93 0.00 0.00 61.98 58.20 3des s VAL 328 Cb 0.10 -0.76 -0.10 0.00 -1.53 0.00 0.00 36.38 34.09 3des s VAL 328 CO 0.69 0.27 1.48 0.12 -3.33 0.00 0.00 175.10 174.32 3des s PHE 329 N 0.16 3.05 -0.09 1.54 5.36 -1.26 -4.94 117.98 121.79 3des s PHE 329 Ca -0.03 0.89 0.13 0.00 -0.96 0.00 0.00 56.93 56.96 3des s PHE 329 Cb -0.09 -3.85 0.23 0.00 -0.34 0.00 0.00 43.02 38.97 3des s PHE 329 CO 0.01 -2.90 1.11 0.54 -1.46 0.00 0.00 175.22 172.52 3des n ARG 330 N 3.00 0.84 -3.56 10.12 1.74 -1.26 -5.05 116.66 122.49 3des n ARG 330 Ca 0.09 -2.14 -0.27 0.00 -0.77 0.00 0.00 57.85 54.76 3des n ARG 330 Cb 0.40 -1.11 -0.03 0.00 -1.02 0.00 0.00 32.46 30.70 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 -2.29 1.74 -0.52 -0.13 0.00 -1.26 -4.22 107.32 100.63 3des s GLY 331 Ca 0.23 -0.77 -0.03 0.00 0.00 0.00 0.00 44.72 44.15 3des s GLY 331 CO -0.00 -0.71 2.53 0.28 0.00 0.00 0.00 173.10 175.20 3des n LYS 332 N -0.91 2.42 -3.88 2.90 5.02 -1.26 -4.87 118.16 117.59 3des n LYS 332 Ca -0.04 -2.52 -0.09 0.00 -2.02 0.00 0.00 58.31 53.64 3des n LYS 332 Cb 0.54 -2.12 -0.04 0.00 -0.02 0.00 0.00 35.03 33.39 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 -2.25 0.11 -0.16 2.13 -0.12 -1.26 -4.45 117.98 111.97 3des s PHE 333 Ca 0.55 -0.48 -0.06 0.00 -0.05 0.00 0.00 56.93 56.90 3des s PHE 333 Cb 0.39 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 43.05 3des s PHE 333 CO -0.23 -0.96 0.04 0.42 -0.05 0.00 0.00 175.22 174.43 3des s ILE 334 N -3.94 4.57 -0.19 -4.49 1.01 0.17 -4.88 121.20 113.46 3des s ILE 334 Ca 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.66 3des s ILE 334 Cb -0.01 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 3des s ILE 334 CO 0.03 0.49 -0.08 -1.58 0.00 0.00 0.00 174.94 173.80 3des s GLN 335 N 0.17 3.38 -0.43 2.79 2.00 -1.26 -1.10 119.66 125.22 3des s GLN 335 Ca 0.03 -0.65 0.02 0.00 -2.00 0.00 0.00 55.36 52.77 3des s GLN 335 Cb -0.13 -2.87 0.15 0.00 0.80 0.00 0.00 33.01 30.97 3des s GLN 335 CO 0.01 -0.05 0.29 0.34 -0.50 0.00 0.00 175.29 175.38 3des s ASP 336 N 1.05 2.82 1.15 6.67 2.15 0.09 -5.02 116.67 125.57 3des s ASP 336 Ca 0.00 -2.74 0.00 0.00 0.43 0.00 0.00 52.55 50.24 3des s ASP 336 Cb -0.15 -0.69 0.00 0.00 -0.30 0.00 0.00 42.92 41.78 3des s ASP 336 CO -0.01 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 3des n GLY 337 N 3.34 2.00 0.08 2.66 0.00 -1.26 -2.01 105.19 110.00 3des n GLY 337 Ca 0.18 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.84 3des n GLY 337 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3des n PRO 338 N 13.10 0.16 -2.95 1.61 -0.04 -1.26 -4.83 135.00 140.79 3des n PRO 338 Ca 0.00 0.26 -0.37 0.00 -0.04 0.00 0.00 63.50 63.35 3des n PRO 338 Cb 0.00 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 31.66 3des n PRO 338 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3des s ARG 339 N -3.14 4.44 -0.04 0.54 0.52 -0.85 -0.30 118.95 120.12 3des s ARG 339 Ca 0.08 1.10 0.00 0.00 -0.52 0.00 0.00 55.73 56.40 3des s ARG 339 Cb 0.12 -2.91 0.03 0.00 0.52 0.00 0.00 34.95 32.70 3des s ARG 339 CO 0.47 0.38 -0.01 -1.64 0.02 0.00 0.00 175.30 174.52 3des s MET 340 N -1.87 0.42 0.34 3.54 -1.94 -0.11 -0.73 119.30 118.94 3des s MET 340 Ca 0.45 0.05 0.03 0.00 -1.71 0.00 0.00 55.69 54.51 3des s MET 340 Cb -0.19 -0.58 -0.04 0.00 2.01 0.00 0.00 34.83 36.03 3des s MET 340 CO 0.23 -0.14 0.13 1.03 -0.01 0.00 0.00 175.02 176.26 3des s ARG 341 N 1.08 1.71 0.05 2.03 0.52 -0.26 -2.17 118.95 121.92 3des s ARG 341 Ca -0.09 -2.00 0.04 0.00 -0.52 0.00 0.00 55.73 53.16 3des s ARG 341 Cb -0.14 -0.44 -0.04 0.00 0.52 0.00 0.00 34.95 34.86 3des s ARG 341 CO -0.02 -0.40 -0.03 0.54 0.02 0.00 0.00 175.30 175.41 3des s VAL 342 N -3.41 3.84 -2.00 3.52 0.11 -1.26 0.46 120.40 121.66 3des s VAL 342 Ca 0.32 -0.88 0.07 0.00 -2.93 0.00 0.00 61.98 58.56 3des s VAL 342 Cb 0.05 -2.75 0.21 0.00 -1.53 0.00 0.00 36.38 32.36 3des s VAL 342 CO 0.16 0.26 0.90 0.29 -3.33 0.00 0.00 175.10 173.38