#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 4.64 -0.67 0.55 1.01 -0.67 -0.99 121.20 125.07 3des s ILE 4 Ca 0.00 1.94 0.17 0.00 0.00 0.00 0.00 60.65 62.76 3des s ILE 4 Cb 0.00 -4.25 -0.20 0.00 0.01 0.00 0.00 42.46 38.02 3des s ILE 4 CO 0.00 -0.05 0.67 1.33 0.00 0.00 0.00 174.94 176.89 3des n VAL 5 N 4.78 0.00 -3.57 2.92 0.24 0.92 -0.37 118.33 123.25 3des n VAL 5 Ca 0.10 -0.15 -0.07 0.00 -2.04 0.00 0.00 64.34 62.18 3des n VAL 5 Cb 0.47 0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 33.65 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 -2.88 -0.26 -0.00 -1.34 2.47 -1.16 -4.96 114.94 106.81 3des s ASN 6 Ca 0.04 0.12 0.02 0.00 0.42 0.00 0.00 52.86 53.46 3des s ASN 6 Cb 0.13 0.24 -0.00 0.00 -1.45 0.00 0.00 41.25 40.17 3des s ASN 6 CO 0.71 -0.35 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.99 3des s VAL 7 N -2.10 0.47 -0.03 -5.21 1.01 -1.26 -0.72 120.40 112.55 3des s VAL 7 Ca 0.05 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3des s VAL 7 Cb -0.01 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.99 3des s VAL 7 CO -0.04 0.13 -0.04 -0.54 0.00 0.00 0.00 175.10 174.61 3des s LYS 8 N -0.13 0.70 -0.03 2.72 1.02 -0.23 -4.87 119.74 118.92 3des s LYS 8 Ca 0.02 -0.11 0.02 0.00 0.02 0.00 0.00 55.97 55.92 3des s LYS 8 Cb -0.02 -0.72 -0.03 0.00 -0.52 0.00 0.00 37.83 36.54 3des s LYS 8 CO -0.00 -0.03 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.81 3des s LEU 9 N 0.67 3.16 -0.20 3.17 1.02 -1.26 -1.50 118.68 123.75 3des s LEU 9 Ca -0.09 -0.09 -0.16 0.00 0.02 0.00 0.00 54.13 53.81 3des s LEU 9 Cb -0.12 -1.75 0.06 0.00 0.02 0.00 0.00 46.19 44.39 3des s LEU 9 CO -0.00 0.32 0.52 -0.94 0.02 0.00 0.00 176.35 176.27 3des s SER 10 N -1.13 -0.58 0.34 2.29 1.04 -0.81 -4.98 113.70 109.88 3des s SER 10 Ca 0.15 1.06 -0.28 0.00 0.48 0.00 0.00 55.95 57.36 3des s SER 10 Cb -0.11 1.04 -0.10 0.00 0.10 0.00 0.00 66.02 66.95 3des s SER 10 CO 0.05 -0.19 1.23 -0.22 0.98 0.00 0.00 173.24 175.08 3des s LEU 11 N 0.63 4.38 -0.06 2.42 2.96 -1.26 -0.92 118.68 126.84 3des s LEU 11 Ca -0.03 2.51 -0.02 0.00 -0.22 0.00 0.00 54.13 56.37 3des s LEU 11 Cb -0.05 -3.75 0.04 0.00 0.50 0.00 0.00 46.19 42.93 3des s LEU 11 CO -0.04 -0.50 0.10 -0.54 -1.32 0.00 0.00 176.35 174.04 3des s LYS 12 N -1.87 -0.04 -0.07 1.98 -0.14 0.01 -4.89 119.74 114.73 3des s LYS 12 Ca 0.50 0.44 -0.03 0.00 -1.36 0.00 0.00 55.97 55.53 3des s LYS 12 Cb -0.36 -0.42 -0.04 0.00 -1.68 0.00 0.00 37.83 35.33 3des s LYS 12 CO 0.46 -0.32 0.06 1.03 -0.76 0.00 0.00 175.35 175.82 3des s ARG 13 N 2.20 3.11 -0.02 1.68 0.52 -1.26 -0.89 118.95 124.28 3des s ARG 13 Ca 0.04 -0.37 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 3des s ARG 13 Cb -0.12 -2.90 0.01 0.00 0.52 0.00 0.00 34.95 32.46 3des s ARG 13 CO -0.04 0.70 -0.06 0.71 0.02 0.00 0.00 175.30 176.63 3des s TYR 14 N -1.01 0.70 0.02 -0.53 2.02 -0.33 -5.00 117.35 113.22 3des s TYR 14 Ca 0.17 -0.16 -0.06 0.00 -0.37 0.00 0.00 57.07 56.65 3des s TYR 14 Cb -0.12 -0.53 -0.05 0.00 -0.40 0.00 0.00 41.96 40.87 3des s TYR 14 CO 0.06 -0.09 0.26 -1.21 -1.57 0.00 0.00 175.55 173.01 3des s GLU 15 N 0.29 3.56 0.33 -0.62 0.41 -1.26 0.29 118.70 121.70 3des s GLU 15 Ca -0.04 -0.12 -0.25 0.00 -0.41 0.00 0.00 54.97 54.15 3des s GLU 15 Cb -0.08 -3.07 -0.10 0.00 -1.78 0.00 0.00 34.13 29.11 3des s GLU 15 CO 0.00 0.64 0.93 0.71 -0.49 0.00 0.00 175.26 177.05 3des s TYR 16 N -1.33 3.62 0.25 1.61 2.02 -0.69 -0.75 117.35 122.08 3des s TYR 16 Ca 0.28 1.73 -0.02 0.00 -0.37 0.00 0.00 57.07 58.69 3des s TYR 16 Cb -0.13 -2.89 0.51 0.00 -0.40 0.00 0.00 41.96 39.05 3des s TYR 16 CO 0.17 0.16 1.74 0.93 -1.57 0.00 0.00 175.55 176.98 3des h GLU 17 N 2.97 0.48 -3.58 -0.62 3.07 -1.52 -3.43 114.58 111.95 3des h GLU 17 Ca -0.47 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.28 3des h GLU 17 Cb 1.19 -0.11 -0.15 0.00 -0.84 0.00 0.00 28.75 28.84 3des h GLU 17 CO 0.64 0.32 -0.28 -1.59 -1.40 0.00 0.00 179.01 176.71 3des s LYS 18 N -5.99 0.87 0.21 2.33 -2.85 -1.26 -5.09 119.74 107.96 3des s LYS 18 Ca -0.12 -0.77 -0.32 0.00 -1.00 0.00 0.00 55.97 53.75 3des s LYS 18 Cb 0.21 0.37 -0.15 0.00 -2.06 0.00 0.00 37.83 36.21 3des s LYS 18 CO 0.77 -0.29 1.26 -2.30 0.10 0.00 0.00 175.35 174.88 3des n PRO 19 N 0.11 1.54 -3.50 1.78 -0.02 -1.26 -4.93 135.00 128.71 3des n PRO 19 Ca -0.16 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 3des n PRO 19 Cb 0.62 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.89 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 -0.18 3.24 -0.24 6.00 5.36 0.27 -4.93 117.98 127.51 3des s PHE 20 Ca 0.70 -0.54 -0.06 0.00 -0.96 0.00 0.00 56.93 56.07 3des s PHE 20 Cb -0.76 -2.54 -0.02 0.00 -0.34 0.00 0.00 43.02 39.36 3des s PHE 20 CO 0.51 -0.53 0.04 -1.58 -1.46 0.00 0.00 175.22 172.20 3des s HIS 21 N 1.67 3.06 0.26 10.12 5.65 -1.26 -1.42 115.29 133.37 3des s HIS 21 Ca 0.05 -0.52 0.03 0.00 0.25 0.00 0.00 55.06 54.87 3des s HIS 21 Cb -0.19 -2.19 -0.06 0.00 -1.18 0.00 0.00 32.58 28.97 3des s HIS 21 CO 0.10 -0.37 0.03 0.96 -0.65 0.00 0.00 174.74 174.80 3des s ILE 22 N 1.49 1.02 -0.33 0.89 -4.36 -0.45 -0.26 121.20 119.19 3des s ILE 22 Ca 0.06 -2.02 -0.42 0.00 -0.26 0.00 0.00 60.65 58.01 3des s ILE 22 Cb -0.15 -2.53 -0.16 0.00 1.25 0.00 0.00 42.46 40.87 3des s ILE 22 CO 0.02 -0.17 1.74 0.41 0.24 0.00 0.00 174.94 177.17 3des n THR 23 N -0.51 0.24 -3.12 8.37 -1.04 -1.26 -1.53 114.28 115.44 3des n THR 23 Ca -0.03 -0.05 -0.22 0.00 -2.04 0.00 0.00 64.05 61.71 3des n THR 23 Cb 0.65 -1.08 0.04 0.00 -1.82 0.00 0.00 70.33 68.12 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 4.27 -0.50 3.65 3.41 0.00 -1.26 -4.99 105.19 109.77 3des n GLY 24 Ca 0.28 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.83 -0.20 -0.07 1.61 0.15 -0.58 -5.14 113.70 106.63 3des s SER 25 Ca 0.35 0.32 0.03 0.00 0.70 0.00 0.00 55.95 57.36 3des s SER 25 Cb -0.16 1.08 0.01 0.00 -1.71 0.00 0.00 66.02 65.24 3des s SER 25 CO 0.44 -0.05 -0.17 -0.69 1.20 0.00 0.00 173.24 173.97 3des s VAL 26 N 1.14 1.48 -0.03 4.45 1.01 -1.26 -1.35 120.40 125.84 3des s VAL 26 Ca -0.08 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.26 3des s VAL 26 Cb -0.03 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 3des s VAL 26 CO -0.11 0.43 -0.18 -0.44 0.00 0.00 0.00 175.10 174.80 3des s SER 27 N 0.44 2.15 -0.01 3.32 0.01 -0.51 -4.95 113.70 114.15 3des s SER 27 Ca -0.14 -0.34 0.11 0.00 1.31 0.00 0.00 55.95 56.89 3des s SER 27 Cb -0.16 -0.39 -0.15 0.00 0.21 0.00 0.00 66.02 65.53 3des s SER 27 CO 0.05 0.19 0.29 -0.24 0.41 0.00 0.00 173.24 173.94 3des n SER 28 N 2.85 1.99 -3.75 2.44 2.88 -1.26 -0.57 113.62 118.20 3des n SER 28 Ca -0.16 -0.21 -0.10 0.00 -1.33 0.00 0.00 58.87 57.07 3des n SER 28 Cb 0.53 1.35 -0.07 0.00 -0.75 0.00 0.00 64.21 65.28 3des n SER 28 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 3des s GLU 29 N -2.52 0.89 -0.20 -1.46 -1.05 -1.26 -1.71 118.70 111.39 3des s GLU 29 Ca -0.02 -0.70 -0.01 0.00 -0.15 0.00 0.00 54.97 54.09 3des s GLU 29 Cb 0.07 0.38 0.01 0.00 -0.44 0.00 0.00 34.13 34.15 3des s GLU 29 CO 0.44 -0.31 -0.12 0.45 0.95 0.00 0.00 175.26 176.67 3des s SER 30 N -2.51 3.70 -0.39 0.83 0.15 0.15 -4.94 113.70 110.69 3des s SER 30 Ca 0.00 -0.52 -0.10 0.00 0.70 0.00 0.00 55.95 56.03 3des s SER 30 Cb 0.02 -1.61 0.05 0.00 -1.71 0.00 0.00 66.02 62.77 3des s SER 30 CO -0.08 -0.01 0.23 -0.13 1.20 0.00 0.00 173.24 174.46 3des s ARG 31 N 1.36 2.74 0.33 5.44 0.52 -1.26 -1.18 118.95 126.90 3des s ARG 31 Ca 0.05 -1.24 0.08 0.00 -0.52 0.00 0.00 55.73 54.10 3des s ARG 31 Cb -0.14 -3.76 -0.04 0.00 0.52 0.00 0.00 34.95 31.53 3des s ARG 31 CO -0.08 -0.81 0.18 -0.80 0.02 0.00 0.00 175.30 173.81 3des s ASN 32 N 1.81 4.86 -0.25 0.23 0.01 -0.07 -4.55 114.94 116.98 3des s ASN 32 Ca 0.02 -0.68 0.01 0.00 -0.71 0.00 0.00 52.86 51.51 3des s ASN 32 Cb -0.21 -0.82 0.05 0.00 0.41 0.00 0.00 41.25 40.68 3des s ASN 32 CO 0.05 -0.29 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.55 3des s VAL 33 N -2.38 2.36 0.17 1.60 1.01 0.36 -0.81 120.40 122.71 3des s VAL 33 Ca 0.38 -1.40 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 3des s VAL 33 Cb -0.04 -2.29 -0.08 0.00 0.00 0.00 0.00 36.38 33.97 3des s VAL 33 CO 0.24 0.09 0.87 -0.70 0.00 0.00 0.00 175.10 175.59 3des s GLU 34 N 1.18 4.69 -0.08 2.72 2.12 -0.10 -0.61 118.70 128.63 3des s GLU 34 Ca -0.05 1.32 0.03 0.00 0.36 0.00 0.00 54.97 56.63 3des s GLU 34 Cb -0.18 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 3des s GLU 34 CO -0.06 0.46 -0.17 0.08 -0.54 0.00 0.00 175.26 175.03 3des s VAL 35 N -0.83 2.76 -0.07 3.70 1.01 0.11 -1.93 120.40 125.14 3des s VAL 35 Ca 0.40 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3des s VAL 35 Cb -0.24 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.07 3des s VAL 35 CO 0.29 0.56 -0.08 -0.70 0.00 0.00 0.00 175.10 175.17 3des s GLU 36 N -0.17 1.29 -0.04 2.72 2.12 -0.56 -1.04 118.70 123.02 3des s GLU 36 Ca -0.01 -0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.12 3des s GLU 36 Cb -0.13 -1.24 -0.03 0.00 0.26 0.00 0.00 34.13 32.99 3des s GLU 36 CO 0.03 -0.11 -0.12 0.96 -0.54 0.00 0.00 175.26 175.48 3des s ILE 37 N 1.13 3.26 -0.11 -3.70 -4.36 0.38 -1.07 121.20 116.73 3des s ILE 37 Ca -0.07 -0.71 0.01 0.00 -0.26 0.00 0.00 60.65 59.63 3des s ILE 37 Cb -0.14 -2.32 -0.01 0.00 1.25 0.00 0.00 42.46 41.24 3des s ILE 37 CO -0.01 0.55 -0.16 -0.69 0.24 0.00 0.00 174.94 174.87 3des s VAL 38 N -0.80 2.85 0.12 8.37 1.01 0.10 -0.69 120.40 131.36 3des s VAL 38 Ca 0.13 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3des s VAL 38 Cb -0.11 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3des s VAL 38 CO 0.02 0.54 0.19 -0.76 0.00 0.00 0.00 175.10 175.10 3des s LEU 39 N 0.13 4.11 0.57 3.92 1.02 -0.20 -0.06 118.68 128.18 3des s LEU 39 Ca -0.08 0.08 0.27 0.00 0.02 0.00 0.00 54.13 54.43 3des s LEU 39 Cb -0.15 -2.72 1.57 0.00 0.02 0.00 0.00 46.19 44.91 3des s LEU 39 CO 0.05 0.10 2.06 1.05 0.02 0.00 0.00 176.35 179.64 3des h GLU 40 N 2.62 0.00 0.00 1.70 4.11 -1.39 0.25 114.58 121.87 3des h GLU 40 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3des h GLU 40 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3des h GLU 40 CO 0.68 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.63 3des n SER 41 N -3.94 0.52 0.00 3.06 3.41 -1.26 -4.87 113.62 110.54 3des n SER 41 Ca 0.03 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 3des n SER 41 Cb 0.39 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 0.53 0.50 3.77 5.00 0.00 0.88 -5.06 105.19 110.81 3des n GLY 42 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.09 3.01 -0.10 1.61 1.01 -1.25 -4.78 120.40 117.81 3des s VAL 43 Ca 0.00 0.99 0.04 0.00 0.00 0.00 0.00 61.98 63.01 3des s VAL 43 Cb 0.00 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 3des s VAL 43 CO 0.00 0.22 -0.24 -0.54 0.00 0.00 0.00 175.10 174.54 3des s LYS 44 N -1.76 3.03 -0.07 2.72 1.02 -1.26 -1.04 119.74 122.38 3des s LYS 44 Ca 0.49 -0.88 -0.00 0.00 0.02 0.00 0.00 55.97 55.60 3des s LYS 44 Cb -0.36 -2.30 -0.03 0.00 -0.52 0.00 0.00 37.83 34.62 3des s LYS 44 CO 0.47 0.19 -0.02 0.20 -0.92 0.00 0.00 175.35 175.27 3des s GLY 45 N 0.31 1.80 0.07 -3.33 0.00 0.13 -4.70 107.32 101.61 3des s GLY 45 Ca -0.18 -0.85 0.09 0.00 0.00 0.00 0.00 44.72 43.78 3des s GLY 45 CO 0.09 -0.64 -0.25 -0.19 0.00 0.00 0.00 173.10 172.11 3des s TYR 46 N -0.88 2.13 0.18 1.90 2.02 -1.26 -0.47 117.35 120.97 3des s TYR 46 Ca 0.14 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.34 3des s TYR 46 Cb -0.11 -1.23 -0.01 0.00 -0.40 0.00 0.00 41.96 40.21 3des s TYR 46 CO 0.03 0.18 0.32 0.20 -1.57 0.00 0.00 175.55 174.71 3des s GLY 47 N -1.50 0.52 -0.02 0.71 0.00 -0.20 -3.91 107.32 102.92 3des s GLY 47 Ca 0.11 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.94 3des s GLY 47 CO 0.03 -0.80 -0.01 1.85 0.00 0.00 0.00 173.10 174.18 3des s GLU 48 N -3.98 0.29 -0.16 2.90 2.12 -1.26 -0.71 118.70 117.90 3des s GLU 48 Ca 0.19 0.03 -0.05 0.00 0.36 0.00 0.00 54.97 55.50 3des s GLU 48 Cb 0.03 -0.43 -0.03 0.00 0.26 0.00 0.00 34.13 33.95 3des s GLU 48 CO 0.02 -0.09 0.01 0.00 -0.54 0.00 0.00 175.26 174.66 3des s ALA 49 N 0.78 3.22 -0.65 6.30 0.00 0.22 -4.33 121.76 127.30 3des s ALA 49 Ca -0.08 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.15 3des s ALA 49 Cb -0.11 -1.70 0.17 0.00 0.00 0.00 0.00 23.12 21.48 3des s ALA 49 CO -0.01 0.26 0.48 0.45 0.00 0.00 0.00 175.76 176.94 3des n SER 50 N 3.32 2.45 -4.73 0.00 2.88 -1.26 -0.49 113.62 115.79 3des n SER 50 Ca -0.17 -3.08 -0.40 0.00 -1.33 0.00 0.00 58.87 53.89 3des n SER 50 Cb 0.53 -0.72 0.03 0.00 -0.75 0.00 0.00 64.21 63.29 3des n SER 50 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3des n PRO 51 N 2.05 1.88 -4.20 -1.46 -0.04 -1.26 -4.63 135.00 127.34 3des n PRO 51 Ca 0.22 0.68 -0.30 0.00 -0.04 0.00 0.00 63.50 64.06 3des n PRO 51 Cb 0.38 -2.51 -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 -0.69 2.61 0.03 3.54 0.15 -1.26 -4.94 113.70 113.14 3des s SER 52 Ca 0.66 -0.47 -0.18 0.00 0.70 0.00 0.00 55.95 56.66 3des s SER 52 Cb -0.45 -1.16 -0.23 0.00 -1.71 0.00 0.00 66.02 62.47 3des s SER 52 CO 0.54 -0.03 1.13 0.15 1.20 0.00 0.00 173.24 176.24 3des h PHE 53 N 7.80 0.77 -0.33 3.44 3.57 -1.83 -1.25 116.94 129.11 3des h PHE 53 Ca -0.35 -0.42 -0.03 0.00 3.53 0.00 0.00 57.97 60.70 3des h PHE 53 Cb 1.15 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 3des h PHE 53 CO 0.47 1.24 0.11 -0.09 -2.23 0.00 0.00 178.31 177.81 3des h ARG 54 N 0.08 0.52 0.00 1.11 2.43 -1.94 -0.62 114.38 115.96 3des h ARG 54 Ca -0.09 -0.11 -0.20 0.00 -0.81 0.00 0.00 59.98 58.77 3des h ARG 54 Cb 1.45 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.90 3des h ARG 54 CO 0.15 0.55 -1.08 0.28 -1.51 0.00 0.00 179.97 178.35 3des h VAL 55 N 0.38 1.04 -0.02 0.20 2.07 -1.98 -3.41 116.25 114.54 3des h VAL 55 Ca 0.11 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.42 3des h VAL 55 Cb 0.25 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3des h VAL 55 CO -0.00 0.37 -0.35 0.59 0.02 0.00 0.00 177.57 178.20 3des n ASN 56 N -4.44 2.13 -0.02 0.57 3.02 -0.55 -4.96 115.26 111.00 3des n ASN 56 Ca -0.29 -1.57 -0.00 0.00 -0.03 0.00 0.00 54.58 52.69 3des n ASN 56 Cb 0.66 0.37 -0.00 0.00 -0.61 0.00 0.00 39.78 40.20 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 1.33 0.33 3.86 7.41 0.00 -0.24 -4.93 105.19 112.95 3des n GLY 57 Ca 0.10 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.85 3.82 -0.02 1.61 2.02 -0.70 -4.85 118.70 119.73 3des s GLU 58 Ca 0.00 0.73 0.01 0.00 0.02 0.00 0.00 54.97 55.73 3des s GLU 58 Cb 0.00 -2.22 0.02 0.00 0.10 0.00 0.00 34.13 32.02 3des s GLU 58 CO 0.00 -0.24 -0.03 1.03 0.02 0.00 0.00 175.26 176.05 3des s ARG 59 N -4.20 0.48 0.27 1.61 0.52 -1.26 -2.64 118.95 113.73 3des s ARG 59 Ca 0.55 -0.06 -0.02 0.00 -0.52 0.00 0.00 55.73 55.69 3des s ARG 59 Cb -0.10 -0.54 0.58 0.00 0.52 0.00 0.00 34.95 35.40 3des s ARG 59 CO 0.35 -0.04 1.67 0.28 0.02 0.00 0.00 175.30 177.59 3des h VAL 60 N 5.82 0.44 -0.98 3.52 2.07 -1.92 -0.97 116.25 124.23 3des h VAL 60 Ca -0.37 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3des h VAL 60 Cb 1.16 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3des h VAL 60 CO 0.49 0.05 0.64 -0.33 0.02 0.00 0.00 177.57 178.43 3des h GLU 61 N 0.27 1.31 -0.58 1.57 3.07 -1.99 -2.18 114.58 116.04 3des h GLU 61 Ca 0.48 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 59.17 3des h GLU 61 Cb 0.89 -0.29 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 3des h GLU 61 CO -0.56 0.88 0.03 0.00 -1.40 0.00 0.00 179.01 177.95 3des h ALA 62 N 1.35 0.95 -0.12 3.43 0.00 -1.62 -1.47 119.26 121.78 3des h ALA 62 Ca 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3des h ALA 62 Cb -0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3des h ALA 62 CO -0.07 0.64 0.05 -0.07 0.00 0.00 0.00 179.25 179.79 3des h LEU 63 N 0.91 0.17 -1.65 0.00 4.07 -1.04 -2.65 115.31 115.12 3des h LEU 63 Ca 0.17 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3des h LEU 63 Cb 0.49 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 3des h LEU 63 CO 0.02 0.29 0.11 -0.07 -1.08 0.00 0.00 178.44 177.71 3des h LEU 64 N 0.05 0.30 -1.94 1.67 3.38 -1.27 -2.59 115.31 114.91 3des h LEU 64 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3des h LEU 64 Cb 0.17 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3des h LEU 64 CO -0.00 0.27 -0.06 0.00 0.09 0.00 0.00 178.44 178.74 3des h ALA 65 N 1.78 1.09 -0.45 1.53 0.00 -0.90 -3.04 119.26 119.27 3des h ALA 65 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3des h ALA 65 Cb 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3des h ALA 65 CO -0.01 0.07 0.02 0.44 0.00 0.00 0.00 179.25 179.76 3des n ILE 66 N -3.28 2.58 -0.21 0.00 -5.35 -0.97 -4.63 119.36 107.50 3des n ILE 66 Ca -0.01 -1.65 0.02 0.00 -0.27 0.00 0.00 62.75 60.83 3des n ILE 66 Cb 0.24 -0.28 0.13 0.00 -1.74 0.00 0.00 39.64 37.99 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 2.94 0.27 -0.66 6.28 4.81 -1.65 -1.65 114.58 124.93 3des h GLU 67 Ca 0.02 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3des h GLU 67 Cb 1.78 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 31.06 3des h GLU 67 CO 0.39 0.18 0.28 -0.91 -0.73 0.00 0.00 179.01 178.22 3des h ASN 68 N 0.28 0.90 -0.64 1.04 -0.26 -1.87 -1.51 115.58 113.53 3des h ASN 68 Ca 0.34 -0.16 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 3des h ASN 68 Cb 0.51 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.50 3des h ASN 68 CO -0.42 0.82 0.41 0.00 -1.06 0.00 0.00 177.43 177.18 3des h ALA 69 N 1.12 0.81 -0.24 -0.83 0.00 -1.68 -1.11 119.26 117.34 3des h ALA 69 Ca 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3des h ALA 69 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3des h ALA 69 CO -0.02 0.26 0.12 0.28 0.00 0.00 0.00 179.25 179.89 3des h VAL 70 N 0.86 1.13 -0.44 0.00 2.07 -1.06 -1.13 116.25 117.70 3des h VAL 70 Ca 0.23 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.46 3des h VAL 70 Cb -0.07 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 3des h VAL 70 CO -0.05 0.13 -0.04 -0.09 0.02 0.00 0.00 177.57 177.55 3des h ARG 71 N 0.26 0.07 -0.08 1.57 2.43 -0.87 -0.67 114.38 117.09 3des h ARG 71 Ca 0.08 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3des h ARG 71 Cb 0.10 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3des h ARG 71 CO -0.01 0.05 -0.16 1.49 -1.51 0.00 0.00 179.97 179.82 3des h GLU 72 N 0.07 0.12 -0.23 0.20 4.57 -0.87 -2.15 114.58 116.29 3des h GLU 72 Ca 0.22 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.30 3des h GLU 72 Cb 0.32 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3des h GLU 72 CO -0.39 0.29 -0.12 0.52 -1.18 0.00 0.00 179.01 178.13 3des h MET 73 N 0.12 0.49 0.00 1.92 2.86 0.15 -3.39 114.93 117.08 3des h MET 73 Ca 0.02 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 3des h MET 73 Cb 0.37 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 3des h MET 73 CO 0.02 0.76 -1.83 0.44 1.06 0.00 0.00 176.91 177.37 3des n ILE 74 N -4.50 0.10 -1.80 -1.22 -5.35 -0.89 -4.98 119.36 100.72 3des n ILE 74 Ca -0.04 -0.43 -0.39 0.00 -0.27 0.00 0.00 62.75 61.62 3des n ILE 74 Cb 0.34 0.04 0.03 0.00 -1.74 0.00 0.00 39.64 38.32 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 -3.14 2.09 0.00 7.28 -4.23 -0.82 -2.48 115.64 114.35 3des s THR 75 Ca -0.07 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 3des s THR 75 Cb 0.11 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.91 3des s THR 75 CO 0.72 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.42 3des n GLY 76 N 0.67 0.73 3.75 3.99 0.00 0.50 -4.95 105.19 109.87 3des n GLY 76 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.40 4.90 0.11 -0.61 1.01 -1.03 -4.81 121.20 118.36 3des s ILE 77 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.33 3des s ILE 77 Cb 0.00 -3.12 -0.06 0.00 0.01 0.00 0.00 42.46 39.29 3des s ILE 77 CO 0.00 0.58 1.04 -0.62 0.00 0.00 0.00 174.94 175.94 3des s ASP 78 N -0.64 7.35 0.07 3.58 -1.08 -1.26 -1.67 116.67 123.01 3des s ASP 78 Ca 0.12 1.90 0.11 0.00 -0.52 0.00 0.00 52.55 54.16 3des s ASP 78 Cb -0.12 -2.59 0.51 0.00 -1.46 0.00 0.00 42.92 39.26 3des s ASP 78 CO 0.02 -0.20 1.35 1.33 0.52 0.00 0.00 175.17 178.20 3des n VAL 79 N 2.98 1.34 0.67 1.11 0.24 -1.26 -0.73 118.33 122.67 3des n VAL 79 Ca 0.04 0.39 0.13 0.00 -2.04 0.00 0.00 64.34 62.86 3des n VAL 79 Cb 0.48 -1.28 0.45 0.00 -1.47 0.00 0.00 33.84 32.02 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 -1.68 0.20 -1.57 7.34 1.85 -1.26 -2.37 116.66 119.16 3des n ARG 80 Ca 0.02 0.20 -0.33 0.00 -1.00 0.00 0.00 57.85 56.74 3des n ARG 80 Cb 0.10 -1.75 0.06 0.00 -1.05 0.00 0.00 32.46 29.83 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 -2.09 7.00 0.02 2.89 3.02 0.09 -4.78 115.26 121.41 3des n ASN 81 Ca 0.05 -3.78 0.22 0.00 -0.03 0.00 0.00 54.58 51.04 3des n ASN 81 Cb 0.38 -0.83 0.73 0.00 -0.61 0.00 0.00 39.78 39.45 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 2.16 0.00 -0.81 3.10 -0.00 -1.59 0.13 116.97 119.95 3des h TYR 82 Ca 0.54 0.00 0.05 0.00 0.00 0.00 0.00 58.73 59.32 3des h TYR 82 Cb 0.89 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.57 3des h TYR 82 CO 1.27 0.00 0.53 0.00 -0.00 0.00 0.00 178.16 179.96 3des h ALA 83 N 1.58 1.54 -0.50 0.10 0.00 -1.89 0.54 119.26 120.63 3des h ALA 83 Ca 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3des h ALA 83 Cb 1.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3des h ALA 83 CO -0.00 0.36 0.22 0.00 0.00 0.00 0.00 179.25 179.83 3des h ARG 84 N 0.96 0.74 -0.72 0.00 3.08 -1.36 -0.37 114.38 116.71 3des h ARG 84 Ca 0.33 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 3des h ARG 84 Cb 0.11 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3des h ARG 84 CO -0.11 0.64 0.30 0.82 -1.07 0.00 0.00 179.97 180.56 3des h ILE 85 N 0.67 1.25 -0.20 2.04 2.04 -1.24 -1.54 117.51 120.52 3des h ILE 85 Ca 0.17 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 3des h ILE 85 Cb 0.16 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3des h ILE 85 CO -0.02 0.31 0.12 -0.26 0.00 0.00 0.00 178.15 178.30 3des h PHE 86 N 1.03 0.27 -0.51 1.37 -1.00 -0.53 -0.14 116.94 117.43 3des h PHE 86 Ca 0.24 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 61.04 3des h PHE 86 Cb 0.19 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.63 3des h PHE 86 CO 0.01 0.22 0.32 1.49 -1.61 0.00 0.00 178.31 178.75 3des h GLU 87 N 0.25 0.63 -0.10 1.51 4.81 -0.81 -1.24 114.58 119.63 3des h GLU 87 Ca 0.07 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3des h GLU 87 Cb 0.03 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 3des h GLU 87 CO -0.01 0.42 0.03 0.82 -0.73 0.00 0.00 179.01 179.54 3des h ILE 88 N 0.65 1.17 0.00 2.32 2.04 -1.09 -2.66 117.51 119.93 3des h ILE 88 Ca 0.20 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3des h ILE 88 Cb -0.03 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3des h ILE 88 CO -0.07 0.15 0.00 0.35 0.00 0.00 0.00 178.15 178.58 3des n THR 89 N -4.90 1.02 0.30 -0.27 -2.24 -0.08 -1.87 114.28 106.23 3des n THR 89 Ca -0.06 0.33 0.19 0.00 -2.27 0.00 0.00 64.05 62.24 3des n THR 89 Cb 0.13 -1.23 0.85 0.00 -2.10 0.00 0.00 70.33 67.98 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 0.73 3.42 3.32 -0.85 -1.31 116.42 121.73 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 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 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 -3.06 0.10 -0.87 3.56 1.74 -0.78 -2.99 116.66 114.35 3des n ARG 91 Ca -0.00 0.28 -0.17 0.00 -0.77 0.00 0.00 57.85 57.19 3des n ARG 91 Cb 0.23 -1.67 0.05 0.00 -1.02 0.00 0.00 32.46 30.05 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 -1.84 6.31 0.09 0.55 4.77 -0.49 -4.49 117.00 121.89 3des n LEU 92 Ca 0.04 -3.24 0.08 0.00 -0.03 0.00 0.00 56.01 52.86 3des n LEU 92 Cb 0.23 -1.01 0.39 0.00 -2.33 0.00 0.00 43.42 40.71 3des n LEU 92 CO 0.19 1.18 0.76 2.22 -1.33 0.00 0.00 177.39 180.40 3des n PHE 93 N 0.22 0.47 0.91 -1.77 1.16 -1.16 -0.29 117.46 117.00 3des n PHE 93 Ca 0.31 0.21 0.12 0.00 -1.87 0.00 0.00 57.45 56.22 3des n PHE 93 Cb 0.65 -0.84 0.25 0.00 -1.61 0.00 0.00 39.48 37.93 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 -0.61 -1.29 2.57 4.97 0.00 -1.26 -4.06 105.19 105.50 3des n GLY 94 Ca 0.01 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.62 2.16 -0.27 1.61 3.72 0.60 -4.73 117.46 118.94 3des n PHE 95 Ca 0.05 -3.25 0.05 0.00 -0.05 0.00 0.00 57.45 54.25 3des n PHE 95 Cb 0.36 -0.31 0.15 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 2.86 0.07 -0.34 -1.08 0.13 -1.65 -0.16 132.00 131.83 3des h PRO 96 Ca 0.10 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 3des h PRO 96 Cb 0.96 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 3des h PRO 96 CO 0.66 0.05 0.16 0.66 -0.23 0.00 0.00 178.00 179.30 3des h SER 97 N 0.07 0.41 0.04 1.44 4.64 -1.80 -0.80 113.55 117.54 3des h SER 97 Ca 0.41 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.51 3des h SER 97 Cb 0.72 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3des h SER 97 CO -0.71 0.36 -0.73 0.25 -0.87 0.00 0.00 176.83 175.12 3des h LEU 98 N 0.47 0.72 -0.73 5.97 5.85 -1.40 -2.24 115.31 123.94 3des h LEU 98 Ca 0.12 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.39 3des h LEU 98 Cb 0.05 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3des h LEU 98 CO -0.02 1.22 0.48 0.50 -0.34 0.00 0.00 178.44 180.29 3des h LYS 99 N 0.42 0.95 0.30 1.25 3.64 -0.45 -1.35 116.57 121.34 3des h LYS 99 Ca -0.04 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3des h LYS 99 Cb 1.33 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3des h LYS 99 CO 0.14 0.63 -0.14 0.00 -2.27 0.00 0.00 179.45 177.81 3des h ALA 100 N 1.27 -0.40 -0.65 5.00 0.00 -1.04 -0.87 119.26 122.58 3des h ALA 100 Ca 0.27 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.16 3des h ALA 100 Cb -0.10 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 3des h ALA 100 CO -0.06 -0.67 0.24 0.00 0.00 0.00 0.00 179.25 178.76 3des h ALA 101 N 0.17 0.85 -0.29 0.00 0.00 -1.13 0.09 119.26 118.95 3des h ALA 101 Ca -0.04 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3des h ALA 101 Cb 0.38 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3des h ALA 101 CO 0.07 -0.19 -0.05 0.28 0.00 0.00 0.00 179.25 179.35 3des h VAL 102 N 0.42 1.28 -0.64 0.00 2.07 -1.15 -0.25 116.25 117.98 3des h VAL 102 Ca 0.33 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 3des h VAL 102 Cb 0.44 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3des h VAL 102 CO -0.33 0.34 0.16 1.56 0.02 0.00 0.00 177.57 179.31 3des h GLN 103 N 0.32 1.00 -0.20 1.57 4.20 -0.64 -1.78 115.11 119.58 3des h GLN 103 Ca 0.08 -0.22 -0.18 0.00 0.06 0.00 0.00 58.65 58.39 3des h GLN 103 Cb 0.52 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3des h GLN 103 CO 0.03 0.88 -0.58 0.35 -0.67 0.00 0.00 178.83 178.83 3des h PHE 104 N 0.95 0.97 -0.55 2.96 3.57 -0.90 -2.64 116.94 121.30 3des h PHE 104 Ca 0.20 -0.39 0.12 0.00 3.53 0.00 0.00 57.97 61.43 3des h PHE 104 Cb 0.33 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 3des h PHE 104 CO 0.02 1.20 0.38 0.00 -2.23 0.00 0.00 178.31 177.67 3des h ALA 105 N 0.59 2.20 -0.09 2.41 0.00 -0.81 0.25 119.26 123.80 3des h ALA 105 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3des h ALA 105 Cb 1.20 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3des h ALA 105 CO 0.13 -0.34 0.00 1.15 0.00 0.00 0.00 179.25 180.19 3des h THR 106 N 0.23 1.25 -0.12 0.00 2.02 -1.03 -1.35 112.91 113.92 3des h THR 106 Ca 0.26 -0.79 -0.10 0.00 0.77 0.00 0.00 66.41 66.55 3des h THR 106 Cb 0.71 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 3des h THR 106 CO -0.05 0.22 -0.36 -0.07 0.37 0.00 0.00 175.52 175.63 3des h LEU 107 N -0.12 0.25 -0.51 2.58 3.38 -0.78 0.08 115.31 120.20 3des h LEU 107 Ca 0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3des h LEU 107 Cb 0.35 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3des h LEU 107 CO 0.00 0.60 0.21 -0.78 0.09 0.00 0.00 178.44 178.57 3des h ASP 108 N 0.21 0.69 -0.26 -0.43 3.58 -0.41 0.23 116.42 120.03 3des h ASP 108 Ca 0.02 -0.16 -0.10 0.00 0.42 0.00 0.00 57.03 57.21 3des h ASP 108 Cb 0.74 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 3des h ASP 108 CO 0.06 0.66 -0.24 0.00 -2.88 0.00 0.00 179.24 176.84 3des h ALA 109 N 1.05 0.38 -0.12 -0.78 0.00 -0.95 -2.79 119.26 116.05 3des h ALA 109 Ca 0.17 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3des h ALA 109 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3des h ALA 109 CO -0.02 0.35 0.05 1.25 0.00 0.00 0.00 179.25 180.89 3des h LEU 110 N 0.34 0.07 -1.46 0.00 5.85 -0.80 -2.17 115.31 117.15 3des h LEU 110 Ca 0.04 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3des h LEU 110 Cb 0.79 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 3des h LEU 110 CO 0.06 0.06 0.21 0.77 -0.34 0.00 0.00 178.44 179.20 3des h SER 111 N 0.12 0.52 -0.60 1.25 4.64 -0.97 -0.68 113.55 117.82 3des h SER 111 Ca 0.05 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 3des h SER 111 Cb 0.01 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 3des h SER 111 CO -0.04 0.43 0.11 1.56 -0.87 0.00 0.00 176.83 178.02 3des h GLN 112 N 0.59 0.98 -0.27 4.77 4.20 -1.17 0.21 115.11 124.42 3des h GLN 112 Ca 0.15 -0.26 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 3des h GLN 112 Cb 0.05 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3des h GLN 112 CO -0.02 0.92 -0.24 0.93 -0.67 0.00 0.00 178.83 179.75 3des h GLU 113 N 0.89 0.51 -0.00 1.46 5.08 -0.70 -2.34 114.58 119.48 3des h GLU 113 Ca 0.18 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3des h GLU 113 Cb 0.41 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3des h GLU 113 CO 0.01 0.71 -0.11 1.28 -1.00 0.00 0.00 179.01 179.90 3des n LEU 114 N -4.13 0.12 -0.11 1.33 4.77 -0.35 -4.93 117.00 113.71 3des n LEU 114 Ca -0.00 0.36 -0.01 0.00 -0.03 0.00 0.00 56.01 56.33 3des n LEU 114 Cb 0.40 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3des n LEU 114 CO 0.42 0.03 -0.01 0.61 -1.33 0.00 0.00 177.39 177.11 3des n GLY 115 N 1.48 0.35 0.00 -0.72 0.00 0.17 -5.04 105.19 101.42 3des n GLY 115 Ca 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.82 0.00 -4.45 2.61 5.66 0.52 -5.01 114.28 109.79 3des n THR 116 Ca -0.01 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.75 3des n THR 116 Cb 0.42 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.11 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 -0.23 1.76 0.24 1.09 -0.21 -1.26 -4.07 119.66 116.98 3des s GLN 117 Ca 0.00 -1.72 -0.05 0.00 0.02 0.00 0.00 55.36 53.61 3des s GLN 117 Cb 0.00 -1.82 0.35 0.00 1.00 0.00 0.00 33.01 32.54 3des s GLN 117 CO 0.00 0.34 1.83 0.28 -2.12 0.00 0.00 175.29 175.62 3des h VAL 118 N 2.23 0.99 -0.96 1.09 2.07 -1.93 -1.97 116.25 117.77 3des h VAL 118 Ca -0.41 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 66.86 3des h VAL 118 Cb 1.26 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 3des h VAL 118 CO 0.60 0.16 0.63 0.00 0.02 0.00 0.00 177.57 178.98 3des h TYR 120 N 1.18 0.51 -0.32 0.00 0.05 -1.76 0.84 116.97 117.49 3des h TYR 120 Ca 0.39 -0.20 -0.01 0.00 0.05 0.00 0.00 58.73 58.96 3des h TYR 120 Cb 0.06 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 3des h TYR 120 CO -0.00 0.91 0.15 1.25 -1.05 0.00 0.00 178.16 179.41 3des h LEU 121 N 0.30 0.38 -1.09 3.88 5.85 -0.61 -1.73 115.31 122.29 3des h LEU 121 Ca -0.01 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3des h LEU 121 Cb 1.15 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3des h LEU 121 CO 0.10 0.34 0.00 0.18 -0.34 0.00 0.00 178.44 178.72 3des n LEU 122 N -4.43 1.64 0.00 2.25 4.77 -0.58 -4.90 117.00 115.75 3des n LEU 122 Ca 0.02 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 3des n LEU 122 Cb 0.12 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3des n LEU 122 CO 0.36 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3des n GLY 123 N 1.13 1.38 4.00 -0.72 0.00 -0.65 -4.08 105.19 106.24 3des n GLY 123 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 0.30 -0.02 0.00 0.25 -4.88 105.19 100.36 3des n GLY 124 Ca 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.93 1.03 -5.84 1.61 3.64 -1.13 -3.45 116.57 110.50 3des h LYS 125 Ca -0.58 -0.25 -0.50 0.00 -1.27 0.00 0.00 60.65 58.05 3des h LYS 125 Cb 1.38 -0.14 -0.19 0.00 -0.41 0.00 0.00 32.23 32.87 3des h LYS 125 CO 0.70 0.93 -0.79 1.03 -2.27 0.00 0.00 179.45 179.05 3des s ARG 126 N -5.31 1.15 -0.01 1.90 0.52 -0.16 -4.97 118.95 112.07 3des s ARG 126 Ca -0.12 -1.28 0.20 0.00 -0.52 0.00 0.00 55.73 54.00 3des s ARG 126 Cb 0.14 -1.22 -0.25 0.00 0.52 0.00 0.00 34.95 34.14 3des s ARG 126 CO 0.83 0.25 0.68 -0.25 0.02 0.00 0.00 175.30 176.83 3des n ASP 127 N 0.59 0.71 -3.73 0.23 8.00 -1.26 -4.64 116.55 116.45 3des n ASP 127 Ca -0.16 -0.58 -0.14 0.00 0.71 0.00 0.00 54.79 54.63 3des n ASP 127 Cb 0.56 1.37 -0.09 0.00 -0.02 0.00 0.00 41.12 42.94 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 -3.07 0.59 0.17 -1.24 2.12 -1.26 -3.98 118.70 112.03 3des s GLU 128 Ca 0.01 0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.62 3des s GLU 128 Cb 0.14 0.28 -0.05 0.00 0.26 0.00 0.00 34.13 34.76 3des s GLU 128 CO 0.82 -0.13 0.02 0.96 -0.54 0.00 0.00 175.26 176.40 3des s ILE 129 N -0.46 0.53 -0.05 -3.70 -4.36 -0.74 -5.00 121.20 107.42 3des s ILE 129 Ca -0.06 -1.97 0.03 0.00 -0.26 0.00 0.00 60.65 58.39 3des s ILE 129 Cb -0.03 -2.15 0.01 0.00 1.25 0.00 0.00 42.46 41.53 3des s ILE 129 CO 0.03 -0.43 -0.13 -1.61 0.24 0.00 0.00 174.94 173.04 3des s GLU 130 N -3.96 1.49 0.23 0.37 2.02 -1.26 -1.24 118.70 116.35 3des s GLU 130 Ca 0.25 -0.44 0.05 0.00 0.02 0.00 0.00 54.97 54.86 3des s GLU 130 Cb 0.07 -1.29 -0.03 0.00 0.10 0.00 0.00 34.13 32.97 3des s GLU 130 CO 0.04 0.12 0.29 -0.08 0.02 0.00 0.00 175.26 175.66 3des s THR 131 N 0.33 5.00 0.08 3.63 -1.32 0.21 -3.90 115.64 119.67 3des s THR 131 Ca -0.08 -1.07 0.01 0.00 -1.21 0.00 0.00 61.69 59.34 3des s THR 131 Cb -0.12 -3.68 0.01 0.00 -1.51 0.00 0.00 72.50 67.20 3des s THR 131 CO 0.02 -0.29 0.11 -0.90 -2.21 0.00 0.00 174.62 171.35 3des n ASP 132 N -1.17 0.22 -3.85 8.08 5.68 -0.45 -4.72 116.55 120.34 3des n ASP 132 Ca -0.08 -1.17 -0.12 0.00 -0.50 0.00 0.00 54.79 52.92 3des n ASP 132 Cb 0.57 -0.06 -0.12 0.00 -1.14 0.00 0.00 41.12 40.37 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 -2.49 0.28 0.00 0.11 2.20 -1.15 -4.53 119.74 114.16 3des s LYS 133 Ca 0.08 -0.06 -0.10 0.00 -0.36 0.00 0.00 55.97 55.52 3des s LYS 133 Cb -0.01 0.12 -0.05 0.00 -1.51 0.00 0.00 37.83 36.38 3des s LYS 133 CO 0.05 -0.05 0.33 0.99 -0.36 0.00 0.00 175.35 176.31 3des s THR 134 N -0.52 5.19 -0.35 3.43 2.01 -1.26 -1.68 115.64 122.45 3des s THR 134 Ca -0.06 0.49 -0.08 0.00 0.31 0.00 0.00 61.69 62.35 3des s THR 134 Cb -0.04 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.90 3des s THR 134 CO 0.01 0.46 0.14 -0.69 -0.69 0.00 0.00 174.62 173.85 3des s VAL 135 N -1.20 4.08 0.95 3.82 1.01 0.42 -4.96 120.40 124.52 3des s VAL 135 Ca 0.25 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 3des s VAL 135 Cb -0.14 -3.29 0.16 0.00 0.00 0.00 0.00 36.38 33.11 3des s VAL 135 CO 0.14 -0.19 1.14 -0.83 0.00 0.00 0.00 175.10 175.36 3des s GLY 136 N 1.46 1.59 0.20 4.51 0.00 -1.26 -1.81 107.32 112.01 3des s GLY 136 Ca -0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 44.72 43.83 3des s GLY 136 CO 0.04 0.02 1.36 -0.42 0.00 0.00 0.00 173.10 174.11 3des s ILE 137 N -3.25 3.06 0.05 0.90 1.01 0.65 -4.75 121.20 118.87 3des s ILE 137 Ca 0.65 0.86 -0.06 0.00 0.00 0.00 0.00 60.65 62.11 3des s ILE 137 Cb -0.14 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.80 3des s ILE 137 CO 0.54 0.12 0.27 -0.67 0.00 0.00 0.00 174.94 175.20 3des n ASP 138 N 2.77 -0.47 -4.74 3.58 -0.08 -1.26 -4.59 116.55 111.76 3des n ASP 138 Ca 0.07 -1.25 -0.34 0.00 -1.51 0.00 0.00 54.79 51.76 3des n ASP 138 Cb 0.42 0.77 0.07 0.00 2.34 0.00 0.00 41.12 44.72 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 -2.45 2.62 0.26 5.18 -4.23 -1.26 -4.73 115.64 111.03 3des s THR 139 Ca 0.06 0.32 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 3des s THR 139 Cb -0.01 -2.90 0.24 0.00 1.34 0.00 0.00 72.50 71.17 3des s THR 139 CO 0.02 -0.15 1.78 0.58 -0.54 0.00 0.00 174.62 176.30 3des h VAL 140 N 0.02 0.78 -0.43 2.29 2.07 -1.99 0.00 116.25 118.99 3des h VAL 140 Ca -0.48 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 66.82 3des h VAL 140 Cb 1.28 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3des h VAL 140 CO 0.52 0.13 0.25 -0.08 0.02 0.00 0.00 177.57 178.40 3des h GLU 141 N 0.70 0.48 -0.09 1.57 4.81 -2.00 -1.02 114.58 119.03 3des h GLU 141 Ca 0.46 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.50 3des h GLU 141 Cb 0.60 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3des h GLU 141 CO -0.33 0.32 -0.63 -0.91 -0.73 0.00 0.00 179.01 176.72 3des h ASN 142 N 0.50 0.38 -0.22 1.04 2.35 -1.63 -2.16 115.58 115.84 3des h ASN 142 Ca 0.17 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3des h ASN 142 Cb 0.03 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3des h ASN 142 CO -0.09 0.92 0.11 0.03 -1.65 0.00 0.00 177.43 176.74 3des h ARG 143 N 0.24 0.32 -0.81 0.81 3.08 -0.76 -0.72 114.38 116.54 3des h ARG 143 Ca -0.01 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.01 3des h ARG 143 Cb 1.17 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.11 3des h ARG 143 CO 0.10 0.34 0.53 0.28 -1.07 0.00 0.00 179.97 180.15 3des h VAL 144 N 0.23 1.16 -0.46 2.04 2.07 -1.15 0.11 116.25 120.25 3des h VAL 144 Ca 0.08 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3des h VAL 144 Cb 0.12 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 3des h VAL 144 CO -0.01 0.19 0.18 0.50 0.02 0.00 0.00 177.57 178.45 3des h LYS 145 N 1.05 0.69 -0.14 1.57 3.64 -1.08 -1.36 116.57 120.94 3des h LYS 145 Ca 0.31 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.45 3des h LYS 145 Cb -0.05 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3des h LYS 145 CO -0.09 0.63 -0.41 1.49 -2.27 0.00 0.00 179.45 178.80 3des h GLU 146 N 0.60 0.32 -0.25 1.90 4.81 -0.63 -2.45 114.58 118.88 3des h GLU 146 Ca 0.15 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3des h GLU 146 Cb 0.20 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3des h GLU 146 CO -0.01 0.68 0.07 0.00 -0.73 0.00 0.00 179.01 179.02 3des h ALA 147 N 1.30 0.32 -0.56 2.92 0.00 -0.47 -0.84 119.26 121.95 3des h ALA 147 Ca 0.02 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3des h ALA 147 Cb 0.84 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3des h ALA 147 CO 0.07 -0.03 0.36 0.87 0.00 0.00 0.00 179.25 180.52 3des h LYS 148 N 0.23 0.72 -0.63 0.00 1.57 -1.16 -0.25 116.57 117.05 3des h LYS 148 Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3des h LYS 148 Cb 0.26 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3des h LYS 148 CO -0.00 0.47 0.40 -0.22 -0.57 0.00 0.00 179.45 179.54 3des h LYS 149 N 0.74 0.83 -0.68 3.15 3.64 -1.25 0.33 116.57 123.33 3des h LYS 149 Ca 0.21 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3des h LYS 149 Cb -0.07 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.54 3des h LYS 149 CO -0.05 0.57 0.17 0.82 -2.27 0.00 0.00 179.45 178.68 3des h ILE 150 N 0.85 1.26 -0.75 2.00 2.04 -0.72 -1.58 117.51 120.61 3des h ILE 150 Ca 0.23 -0.95 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 3des h ILE 150 Cb -0.08 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3des h ILE 150 CO -0.05 0.36 0.28 0.15 0.00 0.00 0.00 178.15 178.89 3des h PHE 151 N 1.01 1.17 0.00 1.37 3.57 -0.56 -2.36 116.94 121.13 3des h PHE 151 Ca 0.21 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 3des h PHE 151 Cb 0.36 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3des h PHE 151 CO 0.03 0.90 -0.31 1.49 -2.23 0.00 0.00 178.31 178.18 3des h GLU 152 N 1.11 0.00 0.00 1.11 4.57 -0.55 -2.20 114.58 118.62 3des h GLU 152 Ca 0.25 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 3des h GLU 152 Cb 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3des h GLU 152 CO -0.02 0.31 0.00 0.39 -1.18 0.00 0.00 179.01 178.51 3des n GLU 153 N -3.95 0.51 0.00 1.92 1.02 -0.63 -4.88 120.64 114.63 3des n GLU 153 Ca -0.02 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3des n GLU 153 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.69 0.34 3.72 0.62 0.00 -0.83 -4.71 105.19 105.02 3des n GLY 154 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 3.29 -1.36 1.61 0.08 -1.13 -4.74 117.98 113.73 3des s PHE 155 Ca 0.00 1.04 0.13 0.00 0.12 0.00 0.00 56.93 58.22 3des s PHE 155 Cb 0.00 -3.61 0.24 0.00 -0.57 0.00 0.00 43.02 39.07 3des s PHE 155 CO 0.00 -2.10 1.11 0.54 -0.10 0.00 0.00 175.22 174.68 3des n ARG 156 N 3.92 1.86 -3.84 0.44 5.12 -1.26 -4.45 116.66 118.46 3des n ARG 156 Ca 0.11 -1.73 -0.27 0.00 -1.93 0.00 0.00 57.85 54.03 3des n ARG 156 Cb 0.43 -1.29 -0.17 0.00 -1.16 0.00 0.00 32.46 30.28 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 -1.05 0.90 -0.21 1.55 1.01 -1.26 -0.65 120.40 120.69 3des s VAL 157 Ca 0.21 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 3des s VAL 157 Cb 0.13 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 3des s VAL 157 CO 0.18 0.07 -0.03 -0.63 0.00 0.00 0.00 175.10 174.68 3des s ILE 158 N 1.72 3.53 -0.17 2.22 1.01 0.16 -2.95 121.20 126.72 3des s ILE 158 Ca 0.01 -0.45 -0.17 0.00 0.00 0.00 0.00 60.65 60.04 3des s ILE 158 Cb -0.15 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 3des s ILE 158 CO -0.07 0.43 0.46 -0.75 0.00 0.00 0.00 174.94 175.00 3des s LYS 159 N 1.31 4.24 -0.17 2.79 2.20 -0.68 -1.43 119.74 128.01 3des s LYS 159 Ca 0.04 0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 55.99 3des s LYS 159 Cb -0.14 -3.51 -0.00 0.00 -1.51 0.00 0.00 37.83 32.67 3des s LYS 159 CO -0.01 0.00 -0.12 0.42 -0.36 0.00 0.00 175.35 175.28 3des s ILE 160 N 1.15 2.90 0.12 5.43 1.01 0.21 -0.44 121.20 131.57 3des s ILE 160 Ca 0.23 -0.68 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 3des s ILE 160 Cb -0.15 -2.26 -0.07 0.00 0.01 0.00 0.00 42.46 39.99 3des s ILE 160 CO 0.09 0.49 0.75 -0.54 0.00 0.00 0.00 174.94 175.73 3des s LYS 161 N 1.00 4.50 0.27 2.79 -0.14 -0.75 -1.04 119.74 126.38 3des s LYS 161 Ca -0.01 1.08 -0.01 0.00 -1.36 0.00 0.00 55.97 55.67 3des s LYS 161 Cb -0.15 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.71 3des s LYS 161 CO -0.02 0.48 0.37 1.33 -0.76 0.00 0.00 175.35 176.76 3des n VAL 162 N 2.01 0.00 0.00 3.17 0.24 -0.43 -4.51 118.33 118.80 3des n VAL 162 Ca -0.05 -1.41 0.00 0.00 -2.04 0.00 0.00 64.34 60.83 3des n VAL 162 Cb 0.49 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 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 -0.45 1.47 0.01 7.63 0.00 -1.26 -4.07 105.19 108.52 3des n GLY 163 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 0.84 -3.37 1.61 1.02 -1.26 -4.42 120.64 115.06 3des n GLU 164 Ca 0.00 -0.11 -0.16 0.00 -0.02 0.00 0.00 57.16 56.87 3des n GLU 164 Cb 0.00 -1.32 -0.08 0.00 -0.02 0.00 0.00 31.44 30.03 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 -3.42 1.22 0.19 1.62 3.84 -1.26 -5.04 114.94 112.09 3des s ASN 165 Ca -0.03 -1.28 -0.18 0.00 0.21 0.00 0.00 52.86 51.57 3des s ASN 165 Cb 0.10 0.59 0.16 0.00 -0.55 0.00 0.00 41.25 41.55 3des s ASN 165 CO 0.61 -0.30 1.60 0.25 -2.79 0.00 0.00 177.10 176.48 3des h LEU 166 N 7.44 -0.94 -0.17 3.21 5.85 -1.98 0.48 115.31 129.20 3des h LEU 166 Ca -0.01 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3des h LEU 166 Cb 1.07 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 3des h LEU 166 CO 0.24 -0.28 0.09 0.50 -0.34 0.00 0.00 178.44 178.65 3des h LYS 167 N -0.12 0.25 -0.21 1.25 3.64 -2.00 -1.46 116.57 117.92 3des h LYS 167 Ca 0.25 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 3des h LYS 167 Cb 0.52 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3des h LYS 167 CO -0.65 0.27 -0.27 1.49 -2.27 0.00 0.00 179.45 178.03 3des h GLU 168 N 0.16 0.39 -0.45 1.90 4.81 -1.86 -2.27 114.58 117.27 3des h GLU 168 Ca 0.06 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3des h GLU 168 Cb 0.10 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3des h GLU 168 CO -0.01 0.63 0.20 -0.44 -0.73 0.00 0.00 179.01 178.66 3des h ASP 169 N 0.35 0.60 -0.05 1.04 3.32 0.24 0.31 116.42 122.23 3des h ASP 169 Ca 0.05 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3des h ASP 169 Cb 0.65 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3des h ASP 169 CO 0.05 0.59 0.03 0.40 -1.72 0.00 0.00 179.24 178.58 3des h ILE 170 N 0.58 1.03 -0.70 0.35 2.04 -1.07 -1.31 117.51 118.43 3des h ILE 170 Ca 0.15 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.99 3des h ILE 170 Cb 0.16 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3des h ILE 170 CO -0.02 0.03 0.41 -0.08 0.00 0.00 0.00 178.15 178.49 3des h GLU 171 N 0.05 0.75 -0.32 2.37 4.57 -1.10 -0.79 114.58 120.12 3des h GLU 171 Ca 0.02 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3des h GLU 171 Cb 0.01 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 3des h GLU 171 CO -0.00 0.50 0.19 0.00 -1.18 0.00 0.00 179.01 178.52 3des h ALA 172 N 1.34 0.40 -0.61 2.92 0.00 -0.02 -0.35 119.26 122.94 3des h ALA 172 Ca 0.31 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3des h ALA 172 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3des h ALA 172 CO -0.16 -0.11 0.09 0.28 0.00 0.00 0.00 179.25 179.35 3des h VAL 173 N 0.41 1.26 -0.72 0.00 2.07 -0.84 -0.94 116.25 117.49 3des h VAL 173 Ca 0.11 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.56 3des h VAL 173 Cb -0.00 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3des h VAL 173 CO -0.02 0.38 0.25 -0.33 0.02 0.00 0.00 177.57 177.87 3des h GLU 174 N 0.92 1.10 -0.36 1.57 5.08 -0.92 -1.80 114.58 120.18 3des h GLU 174 Ca 0.18 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 3des h GLU 174 Cb 0.44 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3des h GLU 174 CO 0.01 0.93 -0.27 0.93 -1.00 0.00 0.00 179.01 179.62 3des h GLU 175 N 1.05 0.81 -0.63 2.33 4.39 -0.85 -3.05 114.58 118.63 3des h GLU 175 Ca 0.24 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 3des h GLU 175 Cb 0.26 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3des h GLU 175 CO -0.01 1.03 0.30 0.82 -1.16 0.00 0.00 179.01 179.99 3des h ILE 176 N 0.60 1.22 -0.87 3.13 2.04 -1.06 -2.98 117.51 119.59 3des h ILE 176 Ca 0.07 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.35 3des h ILE 176 Cb 0.84 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 3des h ILE 176 CO 0.07 0.25 0.57 0.00 0.00 0.00 0.00 178.15 179.05 3des h ALA 177 N 1.13 1.45 -0.21 1.87 0.00 -1.30 -2.68 119.26 119.53 3des h ALA 177 Ca 0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3des h ALA 177 Cb 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3des h ALA 177 CO -0.03 0.46 -0.06 0.87 0.00 0.00 0.00 179.25 180.50 3des h LYS 178 N 1.09 0.32 -0.60 0.00 1.57 -1.41 -3.04 116.57 114.50 3des h LYS 178 Ca 0.34 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3des h LYS 178 Cb 0.02 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3des h LYS 178 CO -0.10 0.40 0.00 1.33 -0.57 0.00 0.00 179.45 180.51 3des n VAL 179 N -4.30 1.56 -2.70 0.50 0.24 -1.03 -4.37 118.33 108.22 3des n VAL 179 Ca 0.00 -1.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.13 3des n VAL 179 Cb 0.24 0.24 0.04 0.00 -1.47 0.00 0.00 33.84 32.89 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 1.05 1.02 -1.66 3.34 -2.24 -1.10 -4.81 114.28 109.88 3des n THR 180 Ca 0.23 -2.50 -0.50 0.00 -2.27 0.00 0.00 64.05 59.02 3des n THR 180 Cb 0.76 1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 70.05 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 -0.34 1.81 0.00 -0.78 1.74 -1.22 -1.38 116.66 116.48 3des n ARG 181 Ca 0.08 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 3des n ARG 181 Cb 0.89 -2.41 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 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 3.62 2.28 3.91 -0.13 0.00 -1.26 -5.09 105.19 108.52 3des n GLY 182 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.28 3.58 0.10 4.61 0.00 -0.48 -5.00 121.76 122.30 3des s ALA 183 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.43 3des s ALA 183 Cb 0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 3des s ALA 183 CO 0.00 0.13 0.19 0.15 0.00 0.00 0.00 175.76 176.23 3des s LYS 184 N -3.78 3.25 -0.01 0.00 1.02 0.18 -4.98 119.74 115.42 3des s LYS 184 Ca 0.45 -0.60 0.08 0.00 0.02 0.00 0.00 55.97 55.91 3des s LYS 184 Cb -0.10 -2.90 -0.02 0.00 -0.52 0.00 0.00 37.83 34.29 3des s LYS 184 CO 0.32 0.56 -0.24 0.71 -0.92 0.00 0.00 175.35 175.77 3des s TYR 185 N -1.59 2.18 -0.14 3.18 2.02 -1.26 -0.66 117.35 121.07 3des s TYR 185 Ca 0.33 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.65 3des s TYR 185 Cb -0.12 -1.39 0.01 0.00 -0.40 0.00 0.00 41.96 40.07 3des s TYR 185 CO 0.26 -0.01 -0.22 0.42 -1.57 0.00 0.00 175.55 174.43 3des s ILE 186 N -0.60 2.07 -0.17 2.71 1.01 -0.51 0.20 121.20 125.90 3des s ILE 186 Ca 0.10 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 3des s ILE 186 Cb -0.09 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 3des s ILE 186 CO -0.00 0.55 -0.03 -0.69 0.00 0.00 0.00 174.94 174.76 3des s VAL 187 N 0.83 3.84 -0.21 2.92 1.01 -0.34 0.64 120.40 129.09 3des s VAL 187 Ca -0.07 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3des s VAL 187 Cb -0.15 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.57 3des s VAL 187 CO -0.02 0.47 -0.14 -0.62 0.00 0.00 0.00 175.10 174.79 3des s ASP 188 N 0.65 3.69 0.08 3.32 -1.08 -0.20 -0.44 116.67 122.69 3des s ASP 188 Ca -0.02 -0.99 0.24 0.00 -0.52 0.00 0.00 52.55 51.26 3des s ASP 188 Cb -0.14 -1.43 0.37 0.00 -1.46 0.00 0.00 42.92 40.26 3des s ASP 188 CO 0.02 -0.11 1.32 0.00 0.52 0.00 0.00 175.17 176.92 3des n ALA 189 N 4.57 3.09 -3.89 3.66 0.00 -1.04 -1.31 120.51 125.58 3des n ALA 189 Ca -0.17 -0.28 -0.25 0.00 0.00 0.00 0.00 53.44 52.74 3des n ALA 189 Cb 0.46 -1.15 -0.01 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 -1.95 -0.89 -0.05 0.00 4.13 -1.19 -1.68 115.26 113.62 3des n ASN 190 Ca 0.04 -0.98 -0.01 0.00 1.68 0.00 0.00 54.58 55.31 3des n ASN 190 Cb 0.41 -3.22 -0.00 0.00 -1.54 0.00 0.00 39.78 35.44 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 -4.37 -1.38 0.23 3.52 2.81 0.27 -4.79 117.12 113.42 3des n MET 191 Ca -0.29 0.38 0.15 0.00 -1.81 0.00 0.00 57.70 56.13 3des n MET 191 Cb 0.68 -4.43 0.56 0.00 -0.71 0.00 0.00 33.22 29.32 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 -3.60 3.03 0.00 -1.40 -3.33 103.07 97.77 3des h GLY 192 Ca -0.01 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.76 3des h GLY 192 CO 0.02 0.00 -0.55 -0.19 0.00 0.00 0.00 176.54 175.83 3des s TYR 193 N -3.50 3.18 0.78 5.60 2.02 -0.67 -4.83 117.35 119.93 3des s TYR 193 Ca 0.03 -0.03 -0.12 0.00 -0.37 0.00 0.00 57.07 56.59 3des s TYR 193 Cb 0.09 -1.50 0.06 0.00 -0.40 0.00 0.00 41.96 40.21 3des s TYR 193 CO 0.53 0.52 1.14 0.95 -1.57 0.00 0.00 175.55 177.12 3des s THR 194 N -1.84 2.57 0.13 -0.71 -4.23 -1.26 -4.17 115.64 106.13 3des s THR 194 Ca 0.32 0.18 -0.20 0.00 -1.18 0.00 0.00 61.69 60.81 3des s THR 194 Cb -0.10 -3.14 -0.03 0.00 1.34 0.00 0.00 72.50 70.57 3des s THR 194 CO 0.24 -0.24 1.71 1.56 -0.54 0.00 0.00 174.62 177.35 3des h GLN 195 N -0.97 0.03 -0.19 3.99 4.20 -1.92 -0.12 115.11 120.13 3des h GLN 195 Ca -0.46 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.14 3des h GLN 195 Cb 1.30 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 3des h GLN 195 CO 0.64 0.02 -0.33 0.87 -0.67 0.00 0.00 178.83 179.36 3des h LYS 196 N 0.03 0.39 -0.46 1.46 1.79 -1.97 -1.54 116.57 116.28 3des h LYS 196 Ca 0.10 -0.17 -0.14 0.00 -2.18 0.00 0.00 60.65 58.26 3des h LYS 196 Cb 0.14 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3des h LYS 196 CO -0.19 0.68 -0.25 0.93 -1.08 0.00 0.00 179.45 179.54 3des h GLU 197 N 0.34 0.96 -0.55 3.15 5.08 -1.86 -1.02 114.58 120.69 3des h GLU 197 Ca 0.04 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 3des h GLU 197 Cb 0.75 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 3des h GLU 197 CO 0.06 1.10 0.31 0.00 -1.00 0.00 0.00 179.01 179.48 3des h ALA 198 N 0.88 0.70 -0.45 3.43 0.00 -0.69 0.33 119.26 123.47 3des h ALA 198 Ca 0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3des h ALA 198 Cb 0.83 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3des h ALA 198 CO 0.07 0.21 0.10 0.28 0.00 0.00 0.00 179.25 179.91 3des h VAL 199 N 0.74 1.24 -0.42 0.00 2.07 -1.14 -2.54 116.25 116.20 3des h VAL 199 Ca 0.19 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 3des h VAL 199 Cb 0.03 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3des h VAL 199 CO -0.03 0.29 0.04 -0.08 0.02 0.00 0.00 177.57 177.81 3des h GLU 200 N 0.59 0.65 -0.17 1.57 4.57 -0.84 -0.62 114.58 120.34 3des h GLU 200 Ca 0.14 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3des h GLU 200 Cb 0.33 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 3des h GLU 200 CO 0.00 0.64 0.08 0.35 -1.18 0.00 0.00 179.01 178.90 3des h PHE 201 N 0.63 0.24 -0.17 0.92 3.57 -0.75 -1.52 116.94 119.86 3des h PHE 201 Ca 0.13 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3des h PHE 201 Cb 0.33 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3des h PHE 201 CO 0.01 0.28 0.07 0.00 -2.23 0.00 0.00 178.31 176.45 3des h ALA 202 N 0.94 0.22 -0.71 2.41 0.00 -1.05 -2.36 119.26 118.70 3des h ALA 202 Ca 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3des h ALA 202 Cb 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3des h ALA 202 CO -0.01 -0.20 0.47 0.00 0.00 0.00 0.00 179.25 179.51 3des h ARG 203 N 0.13 0.94 -0.40 0.00 3.08 -1.07 -0.57 114.38 116.50 3des h ARG 203 Ca 0.06 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3des h ARG 203 Cb 0.15 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3des h ARG 203 CO -0.01 0.63 -0.10 0.00 -1.07 0.00 0.00 179.97 179.43 3des h ALA 204 N 1.55 0.55 -0.52 0.04 0.00 -1.11 -0.48 119.26 119.28 3des h ALA 204 Ca 0.26 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3des h ALA 204 Cb -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3des h ALA 204 CO -0.06 0.42 0.04 0.28 0.00 0.00 0.00 179.25 179.93 3des h VAL 205 N 0.58 1.26 -0.62 0.00 2.07 -1.06 -2.83 116.25 115.65 3des h VAL 205 Ca 0.10 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3des h VAL 205 Cb 0.62 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3des h VAL 205 CO 0.04 0.37 0.41 0.22 0.02 0.00 0.00 177.57 178.62 3des h TYR 206 N 0.78 0.79 -0.35 1.57 3.20 -0.98 -2.31 116.97 119.67 3des h TYR 206 Ca 0.15 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.07 3des h TYR 206 Cb 0.48 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3des h TYR 206 CO 0.04 0.51 0.24 1.96 -1.64 0.00 0.00 178.16 179.26 3des h GLN 207 N 0.84 0.31 -0.13 1.82 1.08 -0.85 0.10 115.11 118.29 3des h GLN 207 Ca 0.23 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 3des h GLN 207 Cb -0.08 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 3des h GLN 207 CO -0.05 0.21 0.00 1.63 -0.95 0.00 0.00 178.83 179.67 3des n LYS 208 N -4.48 1.25 -1.12 1.46 4.01 -0.91 -4.87 118.16 113.50 3des n LYS 208 Ca 0.03 -0.38 -0.04 0.00 -0.51 0.00 0.00 58.31 57.41 3des n LYS 208 Cb 0.18 -1.10 -0.02 0.00 -0.51 0.00 0.00 35.03 33.59 3des n LYS 208 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3des n GLY 209 N 0.65 0.68 3.85 0.72 0.00 0.36 -5.02 105.19 106.43 3des n GLY 209 Ca 0.04 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.04 4.96 -0.13 -0.61 1.01 -0.95 -5.02 121.20 118.42 3des s ILE 210 Ca 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 60.65 61.35 3des s ILE 210 Cb 0.00 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 3des s ILE 210 CO 0.00 0.32 -0.10 -0.62 0.00 0.00 0.00 174.94 174.55 3des s ASP 211 N -1.61 4.30 -0.23 3.58 2.15 -1.26 -4.08 116.67 119.51 3des s ASP 211 Ca 0.34 -0.24 -0.05 0.00 0.43 0.00 0.00 52.55 53.03 3des s ASP 211 Cb -0.15 -1.59 -0.01 0.00 -0.30 0.00 0.00 42.92 40.87 3des s ASP 211 CO 0.18 0.19 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.73 3des s ILE 212 N 0.21 3.60 0.06 4.11 1.01 -1.26 -4.28 121.20 124.64 3des s ILE 212 Ca -0.06 -0.47 -0.24 0.00 0.00 0.00 0.00 60.65 59.88 3des s ILE 212 Cb -0.15 -2.68 -0.16 0.00 0.01 0.00 0.00 42.46 39.48 3des s ILE 212 CO 0.04 0.36 1.63 0.00 0.00 0.00 0.00 174.94 176.97 3des h ALA 213 N 8.15 -0.03 -3.54 9.38 0.00 -0.64 -3.39 119.26 129.18 3des h ALA 213 Ca -0.40 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.19 3des h ALA 213 Cb 1.16 0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.65 3des h ALA 213 CO 0.60 -0.46 -0.70 0.08 0.00 0.00 0.00 179.25 178.77 3des s VAL 214 N -5.75 -0.04 -0.50 0.00 1.01 -1.23 -4.34 120.40 109.55 3des s VAL 214 Ca -0.14 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 3des s VAL 214 Cb 0.05 -0.09 0.13 0.00 0.00 0.00 0.00 36.38 36.47 3des s VAL 214 CO 0.66 0.05 0.30 -0.47 0.00 0.00 0.00 175.10 175.65 3des s TYR 215 N 0.70 3.50 0.17 5.22 5.04 0.42 -1.20 117.35 131.21 3des s TYR 215 Ca -0.06 -2.56 -0.30 0.00 -2.44 0.00 0.00 57.07 51.72 3des s TYR 215 Cb -0.08 -3.21 -0.07 0.00 0.35 0.00 0.00 41.96 38.95 3des s TYR 215 CO -0.02 -0.91 1.09 -1.21 -1.34 0.00 0.00 175.55 173.15 3des s GLU 216 N 0.61 4.60 -0.01 4.97 2.02 0.41 -0.63 118.70 130.68 3des s GLU 216 Ca 0.12 1.70 -0.00 0.00 0.02 0.00 0.00 54.97 56.81 3des s GLU 216 Cb -0.22 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.73 3des s GLU 216 CO -0.04 0.09 0.01 0.94 0.02 0.00 0.00 175.26 176.28 3des n GLN 217 N 2.39 -0.02 0.18 1.61 -0.06 0.67 -2.50 117.38 119.66 3des n GLN 217 Ca 0.03 0.01 0.04 0.00 -2.00 0.00 0.00 57.00 55.07 3des n GLN 217 Cb 0.46 -0.02 0.34 0.00 -4.06 0.00 0.00 30.24 26.96 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 0.70 0.00 -5.46 3.69 0.13 -1.81 0.80 132.00 130.05 3des h PRO 218 Ca -0.01 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 3des h PRO 218 Cb 0.01 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.04 3des h PRO 218 CO 0.00 0.41 -0.46 0.14 -0.23 0.00 0.00 178.00 177.86 3des s VAL 219 N -3.83 1.40 0.56 1.56 -7.23 -1.26 -1.67 120.40 109.93 3des s VAL 219 Ca -0.01 -1.85 -0.21 0.00 -1.81 0.00 0.00 61.98 58.10 3des s VAL 219 Cb 0.13 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 3des s VAL 219 CO 0.71 0.00 1.15 0.54 -0.31 0.00 0.00 175.10 177.18 3des n ARG 220 N -1.38 1.29 -0.13 4.82 1.74 -1.25 -4.11 116.66 117.63 3des n ARG 220 Ca -0.13 0.48 0.11 0.00 -0.77 0.00 0.00 57.85 57.54 3des n ARG 220 Cb 0.66 -2.33 0.46 0.00 -1.02 0.00 0.00 32.46 30.22 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 1.02 0.50 0.00 5.56 0.11 -1.93 -2.07 114.38 117.57 3des h ARG 221 Ca -0.49 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.56 3des h ARG 221 Cb 1.34 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.30 3des h ARG 221 CO 0.54 0.33 -0.19 0.39 0.10 0.00 0.00 179.97 181.14 3des n GLU 222 N -4.48 0.21 -2.07 0.08 -0.58 -1.26 -4.51 120.64 108.03 3des n GLU 222 Ca 0.11 0.13 -0.42 0.00 -0.42 0.00 0.00 57.16 56.56 3des n GLU 222 Cb 0.37 -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 -2.04 4.34 -0.09 1.62 2.03 -0.78 -4.73 116.55 116.89 3des n ASP 223 Ca 0.05 -2.90 -0.10 0.00 0.52 0.00 0.00 54.79 52.36 3des n ASP 223 Cb 0.41 -1.66 -0.03 0.00 -0.72 0.00 0.00 41.12 39.12 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 4.39 1.21 0.00 5.18 1.08 -1.83 -1.86 117.51 125.69 3des h ILE 224 Ca 0.51 -0.71 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 3des h ILE 224 Cb 0.71 1.13 -0.00 0.00 -3.07 0.00 0.00 36.82 35.59 3des h ILE 224 CO 1.72 0.23 -0.05 1.05 -0.69 0.00 0.00 178.15 180.42 3des h GLU 225 N 0.30 0.00 -0.17 2.37 4.11 -1.98 -1.60 114.58 117.62 3des h GLU 225 Ca 0.09 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.36 3des h GLU 225 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3des h GLU 225 CO 0.00 0.05 -0.53 0.78 0.07 0.00 0.00 179.01 179.38 3des h GLY 226 N 1.09 0.72 0.94 1.06 0.00 -1.78 0.45 103.07 105.55 3des h GLY 226 Ca -0.00 -0.94 0.01 0.00 0.00 0.00 0.00 47.33 46.40 3des h GLY 226 CO 0.01 0.84 0.28 1.41 0.00 0.00 0.00 176.54 179.08 3des h LEU 227 N 0.33 0.47 -0.71 3.11 3.38 -0.55 -0.62 115.31 120.72 3des h LEU 227 Ca -0.02 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3des h LEU 227 Cb 1.15 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 3des h LEU 227 CO 0.11 0.34 0.33 0.50 0.09 0.00 0.00 178.44 179.82 3des h LYS 228 N 0.57 1.03 -0.47 1.13 3.64 -1.13 -1.06 116.57 120.28 3des h LYS 228 Ca 0.18 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3des h LYS 228 Cb -0.02 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 3des h LYS 228 CO -0.06 0.81 0.27 0.35 -2.27 0.00 0.00 179.45 178.56 3des h PHE 229 N 0.99 0.51 -0.58 1.91 3.57 -0.25 -0.38 116.94 122.72 3des h PHE 229 Ca 0.24 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 3des h PHE 229 Cb 0.13 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3des h PHE 229 CO 0.01 0.29 0.22 0.28 -2.23 0.00 0.00 178.31 176.88 3des h VAL 230 N 0.55 1.23 -0.44 1.41 2.07 -0.77 -1.99 116.25 118.31 3des h VAL 230 Ca 0.19 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 67.00 3des h VAL 230 Cb 0.02 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3des h VAL 230 CO -0.09 0.28 0.24 -0.09 0.02 0.00 0.00 177.57 177.94 3des h ARG 231 N 0.80 0.47 0.00 1.57 2.43 -0.61 -1.86 114.38 117.18 3des h ARG 231 Ca 0.19 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3des h ARG 231 Cb 0.23 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3des h ARG 231 CO -0.01 0.31 0.00 1.19 -1.51 0.00 0.00 179.97 179.95 3des n PHE 232 N -4.87 0.00 -0.75 2.20 3.01 -0.21 -3.88 117.46 112.97 3des n PHE 232 Ca 0.02 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.52 3des n PHE 232 Cb 0.09 -0.45 0.05 0.00 -0.01 0.00 0.00 39.48 39.16 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 -1.45 0.00 -3.95 1.38 8.25 -0.77 -5.03 115.22 113.65 3des n HIS 233 Ca 0.08 -0.54 -0.10 0.00 -0.26 0.00 0.00 57.72 56.90 3des n HIS 233 Cb 0.28 -0.08 -0.12 0.00 1.12 0.00 0.00 29.99 31.20 3des n HIS 233 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3des s SER 234 N -1.50 0.19 0.21 0.41 1.04 -0.74 -4.95 113.70 108.36 3des s SER 234 Ca 0.11 -0.34 0.21 0.00 0.48 0.00 0.00 55.95 56.41 3des s SER 234 Cb 0.10 0.06 0.90 0.00 0.10 0.00 0.00 66.02 67.18 3des s SER 234 CO 0.01 -0.20 1.65 -0.81 0.98 0.00 0.00 173.24 174.87 3des n PRO 235 N 2.07 0.15 -4.02 4.02 -0.04 -1.26 -4.84 135.00 131.09 3des n PRO 235 Ca -0.20 0.40 -0.29 0.00 -0.04 0.00 0.00 63.50 63.37 3des n PRO 235 Cb 0.57 -1.80 -0.05 0.00 -0.04 0.00 0.00 33.50 32.18 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 -3.26 3.29 0.17 0.54 0.08 -1.26 -5.06 117.98 112.49 3des s PHE 236 Ca 0.04 0.09 -0.32 0.00 0.12 0.00 0.00 56.93 56.86 3des s PHE 236 Cb 0.09 -1.63 -0.12 0.00 -0.57 0.00 0.00 43.02 40.79 3des s PHE 236 CO 0.36 0.53 1.71 -2.30 -0.10 0.00 0.00 175.22 175.42 3des n PRO 237 N 0.04 2.59 -3.87 0.24 -0.02 -1.26 -4.83 135.00 127.89 3des n PRO 237 Ca -0.08 0.94 -0.36 0.00 -2.02 0.00 0.00 63.50 61.99 3des n PRO 237 Cb 0.53 -2.77 -0.08 0.00 -0.02 0.00 0.00 33.50 31.16 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 1.51 5.27 0.08 -1.45 1.01 -1.26 -0.44 120.40 125.12 3des s VAL 238 Ca 0.78 0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.97 3des s VAL 238 Cb -0.55 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3des s VAL 238 CO 0.35 0.52 -0.17 0.00 0.00 0.00 0.00 175.10 175.80 3des s ALA 239 N -0.19 2.68 -0.15 5.51 0.00 0.20 -0.76 121.76 129.04 3des s ALA 239 Ca 0.10 -1.27 -0.06 0.00 0.00 0.00 0.00 51.96 50.72 3des s ALA 239 Cb -0.12 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 3des s ALA 239 CO 0.01 0.59 0.07 0.00 0.00 0.00 0.00 175.76 176.43 3des s ALA 240 N -1.06 3.50 0.00 0.00 0.00 -0.31 -0.24 121.76 123.65 3des s ALA 240 Ca 0.17 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3des s ALA 240 Cb -0.11 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.15 3des s ALA 240 CO 0.08 0.35 0.00 -3.47 0.00 0.00 0.00 175.76 172.72 3des n ASP 241 N 2.95 0.00 -0.08 0.00 -0.08 -1.26 -0.84 116.55 117.25 3des n ASP 241 Ca -0.18 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.28 3des n ASP 241 Cb 0.53 0.00 0.61 0.00 2.34 0.00 0.00 41.12 44.60 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 0.18 0.00 -0.67 3.07 -1.94 1.00 114.58 116.22 3des h GLU 242 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3des h GLU 242 Cb 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3des h GLU 242 CO 0.00 0.12 0.00 0.77 -1.40 0.00 0.00 179.01 178.50 3des h SER 243 N 0.19 0.00 -4.15 1.42 0.02 -1.88 -3.40 113.55 105.75 3des h SER 243 Ca 0.31 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.58 3des h SER 243 Cb 0.94 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.11 3des h SER 243 CO -0.05 0.00 -0.46 0.00 -1.14 0.00 0.00 176.83 175.17 3des s ALA 244 N -3.23 3.45 -0.15 3.77 0.00 0.34 -4.83 121.76 121.12 3des s ALA 244 Ca 0.07 -3.20 -0.02 0.00 0.00 0.00 0.00 51.96 48.82 3des s ALA 244 Cb 0.10 -2.48 -0.08 0.00 0.00 0.00 0.00 23.12 20.66 3des s ALA 244 CO 0.54 -2.05 -0.15 0.54 0.00 0.00 0.00 175.76 174.64 3des n ARG 245 N 3.47 0.35 -4.10 0.00 1.74 -1.26 -4.83 116.66 112.03 3des n ARG 245 Ca 0.06 0.11 -0.23 0.00 -0.77 0.00 0.00 57.85 57.02 3des n ARG 245 Cb 0.37 -1.20 -0.06 0.00 -1.02 0.00 0.00 32.46 30.54 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 -2.29 2.96 0.51 0.55 -4.23 -1.26 -3.41 115.64 108.48 3des s THR 246 Ca -0.20 -1.70 0.17 0.00 -1.18 0.00 0.00 61.69 58.78 3des s THR 246 Cb 0.06 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 71.19 3des s THR 246 CO 0.31 -0.17 2.14 0.07 -0.54 0.00 0.00 174.62 176.43 3des h LYS 247 N 1.54 0.00 -0.15 3.99 2.10 -1.95 -1.28 116.57 120.82 3des h LYS 247 Ca -0.44 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.05 3des h LYS 247 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 3des h LYS 247 CO 0.64 0.03 -0.61 0.74 -2.00 0.00 0.00 179.45 178.24 3des h PHE 248 N 0.00 0.66 -0.62 0.07 0.04 -1.97 -1.54 116.94 113.59 3des h PHE 248 Ca -0.00 -0.25 -0.03 0.00 2.80 0.00 0.00 57.97 60.49 3des h PHE 248 Cb 0.05 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 3des h PHE 248 CO 0.00 0.99 0.27 -0.44 -0.60 0.00 0.00 178.31 178.53 3des h ASP 249 N 0.38 0.83 -0.51 2.17 3.32 -1.59 -2.16 116.42 118.86 3des h ASP 249 Ca -0.01 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 3des h ASP 249 Cb 1.16 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 3des h ASP 249 CO 0.11 0.75 0.11 0.58 -1.72 0.00 0.00 179.24 179.08 3des h VAL 250 N 0.85 1.24 -1.00 -1.35 2.07 -1.23 -0.34 116.25 116.49 3des h VAL 250 Ca 0.21 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3des h VAL 250 Cb 0.17 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 3des h VAL 250 CO -0.02 0.32 0.66 0.24 0.02 0.00 0.00 177.57 178.78 3des h MET 251 N 0.71 1.22 -0.42 1.57 2.86 -1.11 -0.02 114.93 119.74 3des h MET 251 Ca 0.16 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 3des h MET 251 Cb 0.35 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3des h MET 251 CO 0.00 0.81 0.01 -0.09 1.06 0.00 0.00 176.91 178.70 3des h ARG 252 N 1.26 0.73 -0.85 1.72 2.43 -0.93 -0.53 114.38 118.22 3des h ARG 252 Ca 0.40 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3des h ARG 252 Cb 0.03 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 3des h ARG 252 CO -0.13 0.81 0.48 -0.07 -1.51 0.00 0.00 179.97 179.55 3des h LEU 253 N 0.57 1.03 -0.06 3.80 3.38 -0.26 -1.12 115.31 122.65 3des h LEU 253 Ca 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3des h LEU 253 Cb 0.47 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3des h LEU 253 CO 0.02 0.81 -0.04 0.58 0.09 0.00 0.00 178.44 179.90 3des h VAL 254 N 1.17 1.35 -0.90 1.22 2.07 -0.82 -1.11 116.25 119.25 3des h VAL 254 Ca 0.30 -1.13 0.11 0.00 0.82 0.00 0.00 66.70 66.80 3des h VAL 254 Cb -0.01 1.98 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 3des h VAL 254 CO -0.05 0.31 0.58 0.11 0.02 0.00 0.00 177.57 178.54 3des h LYS 255 N -0.28 0.83 -0.20 1.57 1.57 -0.87 -1.03 116.57 118.17 3des h LYS 255 Ca 0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3des h LYS 255 Cb 0.52 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3des h LYS 255 CO 0.01 0.55 0.00 0.39 -0.57 0.00 0.00 179.45 179.83 3des n GLU 256 N -4.54 1.91 -4.05 3.15 1.02 -0.44 -4.94 120.64 112.75 3des n GLU 256 Ca 0.16 -1.36 -0.31 0.00 -0.02 0.00 0.00 57.16 55.62 3des n GLU 256 Cb 0.34 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 3des n GLU 256 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3des n GLU 257 N 0.59 -4.00 0.10 3.49 1.02 -0.39 -4.87 120.64 116.59 3des n GLU 257 Ca 0.17 0.46 -0.04 0.00 -0.02 0.00 0.00 57.16 57.73 3des n GLU 257 Cb 0.40 -5.10 0.03 0.00 -0.02 0.00 0.00 31.44 26.74 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 0.91 0.65 -2.49 0.62 0.00 -1.55 -3.46 119.26 113.96 3des h ALA 258 Ca -0.60 -0.72 -0.14 0.00 0.00 0.00 0.00 54.91 53.45 3des h ALA 258 Cb 1.38 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 3des h ALA 258 CO 0.70 0.99 -0.51 0.14 0.00 0.00 0.00 179.25 180.57 3des s VAL 259 N -3.13 0.11 -0.07 0.00 -7.23 -1.26 -2.75 120.40 106.05 3des s VAL 259 Ca 0.00 -1.65 0.09 0.00 -1.81 0.00 0.00 61.98 58.61 3des s VAL 259 Cb 0.11 -1.85 -0.24 0.00 0.56 0.00 0.00 36.38 34.97 3des s VAL 259 CO 0.79 -0.49 0.55 0.47 -0.31 0.00 0.00 175.10 176.11 3des n ASP 260 N -0.11 1.09 -4.25 4.85 8.00 0.06 -4.87 116.55 121.33 3des n ASP 260 Ca -0.08 0.34 -0.15 0.00 0.71 0.00 0.00 54.79 55.61 3des n ASP 260 Cb 0.63 -0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 41.46 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 -2.58 1.29 -0.06 1.24 1.51 -0.09 -1.67 117.35 116.98 3des s TYR 261 Ca -0.09 -0.72 0.01 0.00 -1.01 0.00 0.00 57.07 55.26 3des s TYR 261 Cb 0.08 -0.65 0.02 0.00 -0.11 0.00 0.00 41.96 41.29 3des s TYR 261 CO 0.81 0.10 -0.06 0.08 -1.11 0.00 0.00 175.55 175.37 3des s VAL 262 N -3.12 0.72 -0.58 0.71 1.01 -0.96 -1.17 120.40 117.00 3des s VAL 262 Ca 0.15 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 3des s VAL 262 Cb 0.01 -0.74 0.07 0.00 0.00 0.00 0.00 36.38 35.72 3des s VAL 262 CO 0.01 0.28 0.82 0.21 0.00 0.00 0.00 175.10 176.42 3des s ASN 263 N 1.15 6.22 0.23 3.32 3.84 -0.02 -2.29 114.94 127.39 3des s ASN 263 Ca -0.07 -0.93 -0.30 0.00 0.21 0.00 0.00 52.86 51.77 3des s ASN 263 Cb -0.14 -2.36 -0.09 0.00 -0.55 0.00 0.00 41.25 38.11 3des s ASN 263 CO -0.01 -1.19 0.99 -0.63 -2.79 0.00 0.00 177.10 173.46 3des s ILE 264 N 3.39 3.97 -0.04 -5.21 1.01 0.24 -4.72 121.20 119.84 3des s ILE 264 Ca 0.20 1.93 -0.00 0.00 0.00 0.00 0.00 60.65 62.78 3des s ILE 264 Cb -0.18 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.09 3des s ILE 264 CO 0.12 0.44 0.01 -0.54 0.00 0.00 0.00 174.94 174.97 3des s LYS 265 N -1.09 0.24 0.39 2.79 1.02 -1.26 -0.22 119.74 121.62 3des s LYS 265 Ca 0.43 0.14 0.07 0.00 0.02 0.00 0.00 55.97 56.63 3des s LYS 265 Cb -0.27 -0.53 0.81 0.00 -0.52 0.00 0.00 37.83 37.32 3des s LYS 265 CO 0.34 -0.20 2.02 -0.07 -0.92 0.00 0.00 175.35 176.53 3des h LEU 266 N 7.62 0.55 -2.35 3.17 3.38 -1.86 -0.58 115.31 125.23 3des h LEU 266 Ca -0.34 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3des h LEU 266 Cb 1.13 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3des h LEU 266 CO 0.39 0.38 0.00 0.24 0.09 0.00 0.00 178.44 179.54 3des h MET 267 N 0.64 0.00 0.01 1.13 2.86 -1.91 0.72 114.93 118.38 3des h MET 267 Ca 0.21 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.46 3des h MET 267 Cb 0.05 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.64 3des h MET 267 CO -0.05 0.00 -2.43 1.63 1.06 0.00 0.00 176.91 177.12 3des n LYS 268 N -2.99 0.66 -0.06 1.72 5.02 -0.34 -2.63 118.16 119.54 3des n LYS 268 Ca -0.02 0.14 -0.03 0.00 -2.02 0.00 0.00 58.31 56.39 3des n LYS 268 Cb 0.14 -1.54 -0.12 0.00 -0.02 0.00 0.00 35.03 33.50 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 -3.22 1.30 0.00 4.39 7.64 -0.51 -4.69 113.62 118.53 3des n SER 269 Ca -0.43 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.45 3des n SER 269 Cb 1.01 1.12 0.00 0.00 -1.01 0.00 0.00 64.21 65.33 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 1.94 -1.51 0.16 0.23 0.00 0.25 -3.48 105.19 102.76 3des n GLY 270 Ca -0.18 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 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 0.00 1.25 0.08 -0.61 1.08 -1.84 -2.55 117.51 114.92 3des h ILE 271 Ca 0.00 -0.86 0.02 0.00 -0.39 0.00 0.00 64.86 63.63 3des h ILE 271 Cb 0.00 1.29 -0.05 0.00 -3.07 0.00 0.00 36.82 35.00 3des h ILE 271 CO 0.00 0.27 -0.44 0.77 -0.69 0.00 0.00 178.15 178.07 3des h SER 272 N 0.25 -1.30 -0.13 1.72 4.64 -1.95 -0.33 113.55 116.45 3des h SER 272 Ca 0.08 0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.46 3des h SER 272 Cb 0.38 0.49 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 3des h SER 272 CO 0.01 -0.49 -0.19 0.44 -0.87 0.00 0.00 176.83 175.73 3des h ASP 273 N -0.65 0.53 -0.87 4.97 5.19 -1.64 -2.55 116.42 121.40 3des h ASP 273 Ca 0.03 -0.16 0.01 0.00 -0.62 0.00 0.00 57.03 56.28 3des h ASP 273 Cb 0.69 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 40.01 3des h ASP 273 CO -0.27 0.73 0.57 0.00 -3.12 0.00 0.00 179.24 177.15 3des h ALA 274 N 1.31 1.11 -0.72 3.45 0.00 -1.01 0.17 119.26 123.57 3des h ALA 274 Ca 0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3des h ALA 274 Cb 0.61 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3des h ALA 274 CO 0.04 0.52 0.21 -0.07 0.00 0.00 0.00 179.25 179.95 3des h LEU 275 N 1.19 1.07 -0.64 0.00 3.38 -0.80 -1.08 115.31 118.42 3des h LEU 275 Ca 0.32 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3des h LEU 275 Cb -0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.33 3des h LEU 275 CO -0.07 1.00 0.07 0.00 0.09 0.00 0.00 178.44 179.54 3des h ALA 276 N 1.10 0.86 -0.58 1.53 0.00 -0.93 -2.32 119.26 118.92 3des h ALA 276 Ca 0.23 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3des h ALA 276 Cb 0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3des h ALA 276 CO -0.00 0.65 0.03 0.82 0.00 0.00 0.00 179.25 180.74 3des h ILE 277 N 1.00 1.26 -0.61 0.00 2.04 -0.32 -0.00 117.51 120.87 3des h ILE 277 Ca 0.19 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 3des h ILE 277 Cb 0.48 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3des h ILE 277 CO 0.02 0.39 0.34 0.58 0.00 0.00 0.00 178.15 179.48 3des h VAL 278 N 0.91 1.19 -0.39 1.67 2.07 -1.04 -0.52 116.25 120.14 3des h VAL 278 Ca 0.17 -0.47 -0.11 0.00 0.82 0.00 0.00 66.70 67.11 3des h VAL 278 Cb 0.50 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3des h VAL 278 CO 0.02 0.21 -0.22 -0.33 0.02 0.00 0.00 177.57 177.27 3des h GLU 279 N 0.82 0.78 -0.52 1.57 4.39 -1.02 -1.68 114.58 118.92 3des h GLU 279 Ca 0.21 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 3des h GLU 279 Cb 0.03 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3des h GLU 279 CO -0.04 0.92 0.16 0.82 -1.16 0.00 0.00 179.01 179.72 3des h ILE 280 N 0.68 1.23 -0.49 3.13 2.04 -0.65 -2.44 117.51 121.01 3des h ILE 280 Ca 0.10 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 3des h ILE 280 Cb 0.73 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3des h ILE 280 CO 0.06 0.29 0.10 0.00 0.00 0.00 0.00 178.15 178.59 3des h ALA 281 N 1.02 0.65 0.00 1.87 0.00 -0.92 -2.47 119.26 119.41 3des h ALA 281 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3des h ALA 281 Cb 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3des h ALA 281 CO -0.01 0.36 0.00 0.39 0.00 0.00 0.00 179.25 179.99 3des n GLU 282 N -4.44 0.11 -0.60 0.00 1.02 -0.65 -1.94 120.64 114.13 3des n GLU 282 Ca 0.01 0.33 0.08 0.00 -0.02 0.00 0.00 57.16 57.57 3des n GLU 282 Cb 0.24 -1.70 0.33 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 -1.89 4.64 -1.53 1.62 7.64 -0.93 -4.99 113.62 118.18 3des n SER 283 Ca 0.03 -2.62 -0.03 0.00 1.01 0.00 0.00 58.87 57.26 3des n SER 283 Cb 0.21 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 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 0.65 -0.57 0.00 6.43 3.41 -0.82 -5.03 113.62 117.68 3des n SER 284 Ca 0.24 -1.48 0.13 0.00 -0.26 0.00 0.00 58.87 57.50 3des n SER 284 Cb 0.91 0.98 0.64 0.00 -0.26 0.00 0.00 64.21 66.49 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 -0.16 -1.29 3.77 5.00 0.00 -1.26 -4.87 105.19 106.38 3des n GLY 285 Ca -0.02 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.75 4.30 0.28 0.99 2.96 -1.26 -4.99 118.68 118.21 3des s LEU 286 Ca 0.21 2.79 0.11 0.00 -0.22 0.00 0.00 54.13 57.03 3des s LEU 286 Cb 0.18 -3.76 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 3des s LEU 286 CO 0.45 -0.78 -0.16 -0.54 -1.32 0.00 0.00 176.35 173.99 3des s LYS 287 N -2.07 1.80 0.13 1.98 1.02 -0.67 -4.61 119.74 117.32 3des s LYS 287 Ca 0.54 -1.69 0.06 0.00 0.02 0.00 0.00 55.97 54.89 3des s LYS 287 Cb -0.41 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 3des s LYS 287 CO 0.55 0.34 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.67 3des s LEU 288 N -3.53 2.44 0.07 3.17 1.43 -1.26 -2.27 118.68 118.73 3des s LEU 288 Ca 0.30 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 3des s LEU 288 Cb -0.05 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.62 3des s LEU 288 CO 0.16 -0.18 -0.08 0.00 0.23 0.00 0.00 176.35 176.47 3des s MET 289 N -2.93 0.70 -0.09 1.70 0.23 -0.97 -0.65 119.30 117.29 3des s MET 289 Ca 0.11 -1.03 0.04 0.00 -1.03 0.00 0.00 55.69 53.78 3des s MET 289 Cb -0.03 -0.35 -0.01 0.00 -1.53 0.00 0.00 34.83 32.91 3des s MET 289 CO 0.03 0.04 -0.20 -1.50 -2.03 0.00 0.00 175.02 171.36 3des s ILE 290 N -2.27 2.46 0.00 3.16 2.07 -0.94 -0.59 121.20 125.09 3des s ILE 290 Ca 0.00 -0.90 0.00 0.00 -1.41 0.00 0.00 60.65 58.34 3des s ILE 290 Cb -0.04 -1.96 0.00 0.00 0.13 0.00 0.00 42.46 40.59 3des s ILE 290 CO -0.01 0.56 0.00 0.61 -1.91 0.00 0.00 174.94 174.19 3des n GLY 291 N 3.15 6.15 3.61 1.50 0.00 0.70 -0.35 105.19 119.96 3des n GLY 291 Ca -0.18 -2.07 -0.10 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.45 0.00 -1.94 0.00 2.81 -1.26 -4.99 117.12 111.28 3des n MET 293 Ca -0.02 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.70 3des n MET 293 Cb 0.61 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 33.17 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 4.79 5.56 3.74 3.03 0.00 -1.26 -4.73 105.19 116.32 3des n GLY 294 Ca 0.00 -2.27 -0.36 0.00 0.00 0.00 0.00 46.02 43.39 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 -3.51 2.78 0.42 1.61 8.01 -1.26 -4.88 118.70 121.87 3des s GLU 295 Ca 0.46 1.90 0.02 0.00 0.01 0.00 0.00 54.97 57.36 3des s GLU 295 Cb 0.39 -1.90 0.08 0.00 -4.31 0.00 0.00 34.13 28.40 3des s GLU 295 CO 0.01 -1.37 0.58 -1.13 0.01 0.00 0.00 175.26 173.36 3des n SER 296 N -1.76 1.00 -0.35 -0.19 3.41 -1.26 -2.90 113.62 111.57 3des n SER 296 Ca 0.14 -1.79 0.10 0.00 -0.26 0.00 0.00 58.87 57.06 3des n SER 296 Cb 0.49 -0.36 0.28 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.22 0.85 -0.76 4.04 4.64 -1.93 0.50 113.55 120.66 3des h SER 297 Ca -0.19 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 3des h SER 297 Cb 0.76 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.72 3des h SER 297 CO 0.23 0.41 0.32 0.25 -0.87 0.00 0.00 176.83 177.16 3des h LEU 298 N 0.89 1.04 -0.22 5.97 5.85 -1.94 -2.03 115.31 124.86 3des h LEU 298 Ca 0.52 -0.16 -0.17 0.00 0.84 0.00 0.00 57.88 58.90 3des h LEU 298 Cb 0.65 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3des h LEU 298 CO -0.29 0.92 -0.54 1.23 -0.34 0.00 0.00 178.44 179.42 3des h GLY 299 N 1.10 0.82 1.56 3.75 0.00 -1.44 -3.12 103.07 105.74 3des h GLY 299 Ca 0.26 -1.02 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 3des h GLY 299 CO -0.02 0.91 0.13 -2.22 0.00 0.00 0.00 176.54 175.34 3des h ILE 300 N 0.47 1.16 -0.98 2.60 1.08 -0.88 -2.06 117.51 118.91 3des h ILE 300 Ca -0.01 -0.54 0.23 0.00 -0.39 0.00 0.00 64.86 64.15 3des h ILE 300 Cb 1.15 0.72 -0.08 0.00 -3.07 0.00 0.00 36.82 35.54 3des h ILE 300 CO 0.12 0.20 0.64 -1.13 -0.69 0.00 0.00 178.15 177.29 3des h ASN 301 N 0.56 0.48 -0.58 1.72 -1.24 -1.30 0.13 115.58 115.36 3des h ASN 301 Ca 0.14 0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.22 3des h ASN 301 Cb 0.16 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.16 3des h ASN 301 CO -0.01 0.15 0.38 1.56 -1.29 0.00 0.00 177.43 178.22 3des h GLN 302 N 0.45 0.76 -0.08 6.67 4.20 -1.46 -1.85 115.11 123.80 3des h GLN 302 Ca 0.54 -0.05 -0.20 0.00 0.06 0.00 0.00 58.65 59.00 3des h GLN 302 Cb 1.29 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.90 3des h GLN 302 CO -0.26 0.51 -0.79 0.77 -0.67 0.00 0.00 178.83 178.39 3des h SER 303 N 0.78 0.61 -0.21 1.46 0.02 -0.93 -2.43 113.55 112.85 3des h SER 303 Ca 0.21 -0.42 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 3des h SER 303 Cb -0.09 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3des h SER 303 CO -0.05 1.18 0.09 0.58 -1.14 0.00 0.00 176.83 177.50 3des h VAL 304 N 0.33 0.98 -0.35 2.27 2.07 -0.80 0.17 116.25 120.92 3des h VAL 304 Ca -0.05 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 3des h VAL 304 Cb 1.39 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3des h VAL 304 CO 0.14 0.04 -0.11 0.45 0.02 0.00 0.00 177.57 178.11 3des h HIS 305 N 0.20 0.65 -0.31 1.57 -0.00 -1.38 0.75 115.15 116.63 3des h HIS 305 Ca 0.09 -0.10 -0.05 0.00 -0.00 0.00 0.00 60.37 60.30 3des h HIS 305 Cb 0.04 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 3des h HIS 305 CO -0.10 0.69 0.01 0.35 -0.00 0.00 0.00 177.93 178.88 3des h PHE 306 N 0.55 0.59 -0.32 2.45 3.57 -0.90 -1.03 116.94 121.85 3des h PHE 306 Ca 0.10 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3des h PHE 306 Cb 0.52 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3des h PHE 306 CO 0.02 0.67 0.04 0.00 -2.23 0.00 0.00 178.31 176.81 3des h ALA 307 N 0.85 0.43 -0.45 2.41 0.00 -0.41 -1.41 119.26 120.69 3des h ALA 307 Ca 0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3des h ALA 307 Cb 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3des h ALA 307 CO 0.01 0.13 0.10 -0.07 0.00 0.00 0.00 179.25 179.43 3des h LEU 308 N 0.36 0.68 -0.15 0.00 3.38 -0.84 0.28 115.31 119.03 3des h LEU 308 Ca 0.10 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3des h LEU 308 Cb 0.36 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3des h LEU 308 CO 0.01 0.74 -0.06 1.23 0.09 0.00 0.00 178.44 180.45 3des h GLY 309 N 0.59 0.33 1.74 0.83 0.00 -1.15 -0.37 103.07 105.05 3des h GLY 309 Ca 0.14 -0.29 -0.25 0.00 0.00 0.00 0.00 47.33 46.94 3des h GLY 309 CO 0.00 0.26 -1.17 -0.91 0.00 0.00 0.00 176.54 174.72 3des h THR 310 N -0.01 1.54 -2.85 4.70 1.35 -1.29 -1.48 112.91 114.86 3des h THR 310 Ca 0.04 -3.20 -0.36 0.00 -0.55 0.00 0.00 66.41 62.34 3des h THR 310 Cb 0.51 2.86 -0.04 0.00 -1.73 0.00 0.00 68.15 69.74 3des h THR 310 CO 0.02 0.91 -0.43 0.61 -0.25 0.00 0.00 175.52 176.37 3des n GLY 311 N 1.46 -0.04 0.47 5.82 0.00 0.98 -4.79 105.19 109.09 3des n GLY 311 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.44 2.54 -2.50 4.61 0.00 -1.26 -4.94 120.51 117.51 3des n ALA 312 Ca -0.21 -0.46 -0.32 0.00 0.00 0.00 0.00 53.44 52.46 3des n ALA 312 Cb 0.65 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.84 2.70 0.06 0.00 0.08 -1.26 -4.48 117.98 113.24 3des s PHE 313 Ca 0.33 -0.16 -0.04 0.00 0.12 0.00 0.00 56.93 57.17 3des s PHE 313 Cb 0.17 -1.57 -0.29 0.00 -0.57 0.00 0.00 43.02 40.77 3des s PHE 313 CO 0.27 0.26 1.07 0.93 -0.10 0.00 0.00 175.22 177.64 3des h GLU 314 N 4.83 0.28 -4.53 0.44 4.39 -1.25 -3.47 114.58 115.27 3des h GLU 314 Ca -0.47 -0.47 -0.26 0.00 0.34 0.00 0.00 59.36 58.49 3des h GLU 314 Cb 1.16 0.18 -0.20 0.00 -0.10 0.00 0.00 28.75 29.78 3des h GLU 314 CO 0.50 1.20 -0.73 -0.06 -1.16 0.00 0.00 179.01 178.77 3des s PHE 315 N -2.64 0.66 -0.12 4.33 0.08 -1.25 -5.06 117.98 113.98 3des s PHE 315 Ca -0.05 -0.55 0.01 0.00 0.12 0.00 0.00 56.93 56.45 3des s PHE 315 Cb 0.07 -0.40 0.02 0.00 -0.57 0.00 0.00 43.02 42.14 3des s PHE 315 CO 0.88 -0.10 -0.14 -1.01 -0.10 0.00 0.00 175.22 174.75 3des s HIS 316 N -1.66 1.91 -0.76 0.36 3.76 -1.25 -2.22 115.29 115.43 3des s HIS 316 Ca -0.08 -0.95 0.03 0.00 -0.15 0.00 0.00 55.06 53.92 3des s HIS 316 Cb -0.08 -1.41 0.22 0.00 1.11 0.00 0.00 32.58 32.42 3des s HIS 316 CO -0.00 -0.52 0.74 -3.47 -0.85 0.00 0.00 174.74 170.63 3des n ASP 317 N 4.43 3.85 -3.40 1.40 2.03 0.53 -1.34 116.55 124.05 3des n ASP 317 Ca -0.18 -3.30 -0.27 0.00 0.52 0.00 0.00 54.79 51.56 3des n ASP 317 Cb 0.51 -0.83 -0.08 0.00 -0.72 0.00 0.00 41.12 40.00 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 1.56 3.85 -0.01 -2.67 4.77 -1.26 -3.00 117.00 120.24 3des n LEU 318 Ca 0.25 -5.46 0.00 0.00 -0.03 0.00 0.00 56.01 50.77 3des n LEU 318 Cb 0.37 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3des n LEU 318 CO 0.38 2.07 0.24 -0.90 -1.33 0.00 0.00 177.39 177.85 3des n ASP 319 N 0.79 0.98 -0.35 -1.43 5.75 -1.26 -4.78 116.55 116.24 3des n ASP 319 Ca 0.30 -0.99 0.09 0.00 -0.01 0.00 0.00 54.79 54.19 3des n ASP 319 Cb 0.41 0.05 0.27 0.00 -1.03 0.00 0.00 41.12 40.82 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 0.07 0.80 0.56 -1.12 4.64 -1.85 0.57 113.55 117.21 3des h SER 320 Ca 0.00 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 3des h SER 320 Cb 0.01 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3des h SER 320 CO 0.00 0.35 -0.13 1.12 -0.87 0.00 0.00 176.83 177.30 3des h HIS 321 N 0.83 0.00 0.00 4.77 2.07 -1.81 -1.48 115.15 119.53 3des h HIS 321 Ca 0.52 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.04 3des h HIS 321 Cb 0.68 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.66 3des h HIS 321 CO -0.02 0.13 0.00 1.28 -3.07 0.00 0.00 177.93 176.25 3des n LEU 322 N -3.48 0.35 -0.09 6.12 4.77 0.18 -3.03 117.00 121.81 3des n LEU 322 Ca -0.01 0.54 0.10 0.00 -0.03 0.00 0.00 56.01 56.60 3des n LEU 322 Cb 0.29 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 40.85 3des n LEU 322 CO 0.30 -0.13 0.02 0.23 -1.33 0.00 0.00 177.39 176.48 3des n MET 323 N -1.84 0.64 -4.06 3.23 2.81 -0.57 -4.95 117.12 112.37 3des n MET 323 Ca 0.06 -0.19 -0.33 0.00 -1.81 0.00 0.00 57.70 55.43 3des n MET 323 Cb 0.35 -1.43 -0.07 0.00 -0.71 0.00 0.00 33.22 31.36 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 -2.82 3.97 -0.28 4.03 1.43 -1.11 -1.27 118.68 122.63 3des s LEU 324 Ca 0.09 0.17 -0.26 0.00 -1.03 0.00 0.00 54.13 53.11 3des s LEU 324 Cb 0.15 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 44.03 3des s LEU 324 CO 0.76 0.26 0.89 -0.54 0.23 0.00 0.00 176.35 177.95 3des s LYS 325 N -1.82 4.09 -0.06 1.70 1.02 0.07 -4.86 119.74 119.88 3des s LYS 325 Ca 0.24 0.90 0.02 0.00 0.02 0.00 0.00 55.97 57.15 3des s LYS 325 Cb -0.12 -3.69 0.02 0.00 -0.52 0.00 0.00 37.83 33.51 3des s LYS 325 CO 0.15 -0.67 -0.10 -2.00 -0.92 0.00 0.00 175.35 171.82 3des s GLU 326 N 3.10 1.45 0.00 1.68 2.12 -1.26 -4.34 118.70 121.45 3des s GLU 326 Ca 0.37 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.39 3des s GLU 326 Cb -0.14 -1.27 0.00 0.00 0.26 0.00 0.00 34.13 32.98 3des s GLU 326 CO 0.11 -0.03 0.96 -1.91 -0.54 0.00 0.00 175.26 173.84 3des n GLU 327 N 3.99 0.00 -5.03 4.30 4.07 -1.26 -4.72 120.64 121.99 3des n GLU 327 Ca -0.22 0.74 -0.28 0.00 -0.06 0.00 0.00 57.16 57.34 3des n GLU 327 Cb 0.51 -1.46 -0.16 0.00 -0.06 0.00 0.00 31.44 30.28 3des n GLU 327 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3des s VAL 328 N -2.84 1.72 0.38 6.31 0.11 -1.26 -5.11 120.40 119.70 3des s VAL 328 Ca 0.00 -0.96 -0.28 0.00 -2.93 0.00 0.00 61.98 57.81 3des s VAL 328 Cb 0.00 -1.43 -0.10 0.00 -1.53 0.00 0.00 36.38 33.31 3des s VAL 328 CO 0.00 0.46 1.43 0.12 -3.33 0.00 0.00 175.10 173.78 3des s PHE 329 N -0.54 2.69 -0.04 1.54 5.36 -1.26 -4.94 117.98 120.79 3des s PHE 329 Ca 0.08 1.25 0.11 0.00 -0.96 0.00 0.00 56.93 57.41 3des s PHE 329 Cb -0.08 -3.92 0.21 0.00 -0.34 0.00 0.00 43.02 38.88 3des s PHE 329 CO -0.01 -2.68 1.09 0.54 -1.46 0.00 0.00 175.22 172.70 3des n ARG 330 N 0.45 0.33 -3.76 10.12 1.74 -1.26 -5.05 116.66 119.23 3des n ARG 330 Ca 0.01 -1.73 -0.30 0.00 -0.77 0.00 0.00 57.85 55.06 3des n ARG 330 Cb 0.40 -0.60 -0.04 0.00 -1.02 0.00 0.00 32.46 31.20 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 -1.77 2.09 -0.78 -0.13 0.00 -1.26 -4.08 107.32 101.38 3des s GLY 331 Ca 0.18 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 44.14 3des s GLY 331 CO -0.05 -0.67 2.47 0.28 0.00 0.00 0.00 173.10 175.13 3des n LYS 332 N -0.08 3.28 -3.64 2.90 5.02 -1.26 -4.87 118.16 119.51 3des n LYS 332 Ca -0.04 -3.03 -0.10 0.00 -2.02 0.00 0.00 58.31 53.13 3des n LYS 332 Cb 0.52 -2.31 -0.02 0.00 -0.02 0.00 0.00 35.03 33.19 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 -2.22 -0.33 -0.05 2.13 -0.12 -1.26 -4.56 117.98 111.57 3des s PHE 333 Ca 0.55 0.01 -0.00 0.00 -0.05 0.00 0.00 56.93 57.43 3des s PHE 333 Cb 0.33 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 43.25 3des s PHE 333 CO -0.22 -0.99 0.00 0.42 -0.05 0.00 0.00 175.22 174.38 3des s ILE 334 N -3.83 4.23 -0.06 -4.49 1.01 0.99 -4.95 121.20 114.10 3des s ILE 334 Ca 0.06 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.32 3des s ILE 334 Cb -0.03 -2.82 0.02 0.00 0.01 0.00 0.00 42.46 39.64 3des s ILE 334 CO -0.04 0.51 -0.07 -1.58 0.00 0.00 0.00 174.94 173.75 3des s GLN 335 N -1.18 1.18 -0.38 2.79 0.74 -1.26 -0.91 119.66 120.64 3des s GLN 335 Ca 0.16 -0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.37 3des s GLN 335 Cb -0.11 -1.13 0.12 0.00 1.10 0.00 0.00 33.01 32.99 3des s GLN 335 CO 0.06 -0.09 0.16 0.34 -0.55 0.00 0.00 175.29 175.22 3des s ASP 336 N 1.01 3.90 1.53 6.67 2.15 0.03 -5.01 116.67 126.96 3des s ASP 336 Ca -0.09 -2.19 0.00 0.00 0.43 0.00 0.00 52.55 50.70 3des s ASP 336 Cb -0.14 -1.02 0.00 0.00 -0.30 0.00 0.00 42.92 41.46 3des s ASP 336 CO -0.00 -0.34 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 3des n GLY 337 N 4.13 2.39 0.08 2.66 0.00 -1.26 -1.83 105.19 111.36 3des n GLY 337 Ca 0.04 -0.34 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 13.29 0.16 -2.92 1.61 -0.04 -1.26 -4.83 135.00 141.01 3des n PRO 338 Ca 0.00 0.24 -0.39 0.00 -0.04 0.00 0.00 63.50 63.30 3des n PRO 338 Cb 0.00 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 31.67 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 -3.13 4.62 -0.04 0.54 0.52 -0.76 -0.62 118.95 120.09 3des s ARG 339 Ca 0.09 1.24 0.00 0.00 -0.52 0.00 0.00 55.73 56.54 3des s ARG 339 Cb 0.12 -3.21 0.02 0.00 0.52 0.00 0.00 34.95 32.41 3des s ARG 339 CO 0.49 0.53 -0.02 -1.64 0.02 0.00 0.00 175.30 174.68 3des s MET 340 N -1.27 0.57 0.27 3.54 -1.94 -0.37 -0.79 119.30 119.31 3des s MET 340 Ca 0.38 -0.00 0.02 0.00 -1.71 0.00 0.00 55.69 54.38 3des s MET 340 Cb -0.23 -0.70 -0.05 0.00 2.01 0.00 0.00 34.83 35.86 3des s MET 340 CO 0.27 -0.13 0.10 1.03 -0.01 0.00 0.00 175.02 176.29 3des s ARG 341 N 1.08 1.46 0.24 2.03 0.52 -0.09 -1.79 118.95 122.40 3des s ARG 341 Ca -0.09 -1.80 0.07 0.00 -0.52 0.00 0.00 55.73 53.39 3des s ARG 341 Cb -0.14 -0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.02 3des s ARG 341 CO -0.01 -0.32 0.18 0.54 0.02 0.00 0.00 175.30 175.71 3des s VAL 342 N -3.70 4.42 -2.00 3.52 0.11 -1.26 -0.01 120.40 121.49 3des s VAL 342 Ca 0.37 -1.37 0.28 0.00 -2.93 0.00 0.00 61.98 58.33 3des s VAL 342 Cb 0.07 -3.37 0.81 0.00 -1.53 0.00 0.00 36.38 32.36 3des s VAL 342 CO 0.14 -0.31 2.04 0.29 -3.33 0.00 0.00 175.10 173.93