#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3des s ILE 4 N 0.00 3.84 -0.03 0.55 1.01 -0.35 -0.53 121.20 125.69 3des s ILE 4 Ca 0.00 1.31 0.08 0.00 0.00 0.00 0.00 60.65 62.04 3des s ILE 4 Cb 0.00 -3.84 -0.12 0.00 0.01 0.00 0.00 42.46 38.51 3des s ILE 4 CO 0.00 0.09 0.18 1.33 0.00 0.00 0.00 174.94 176.54 3des n VAL 5 N 4.00 0.00 -3.57 2.92 0.24 0.16 -0.07 118.33 122.02 3des n VAL 5 Ca 0.10 -0.18 -0.17 0.00 -2.04 0.00 0.00 64.34 62.04 3des n VAL 5 Cb 0.45 0.37 -0.07 0.00 -1.47 0.00 0.00 33.84 33.12 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 -2.81 -0.59 -0.03 -1.34 2.47 -1.05 -4.92 114.94 106.66 3des s ASN 6 Ca -0.02 0.67 0.03 0.00 0.42 0.00 0.00 52.86 53.96 3des s ASN 6 Cb 0.05 0.57 0.00 0.00 -1.45 0.00 0.00 41.25 40.42 3des s ASN 6 CO 0.32 -0.56 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.35 3des s VAL 7 N -1.09 0.91 -0.03 -5.21 1.01 -1.26 -0.43 120.40 114.29 3des s VAL 7 Ca -0.11 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3des s VAL 7 Cb -0.01 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.59 3des s VAL 7 CO 0.08 0.28 -0.02 -0.54 0.00 0.00 0.00 175.10 174.90 3des s LYS 8 N 0.12 0.50 -0.03 2.72 1.02 -0.05 -4.87 119.74 119.15 3des s LYS 8 Ca -0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 55.97 55.93 3des s LYS 8 Cb -0.09 -0.58 -0.04 0.00 -0.52 0.00 0.00 37.83 36.60 3des s LYS 8 CO 0.01 -0.08 0.07 -0.51 -0.92 0.00 0.00 175.35 173.91 3des s LEU 9 N 0.82 3.85 -0.07 3.17 1.02 -1.26 -1.05 118.68 125.16 3des s LEU 9 Ca -0.09 0.16 -0.03 0.00 0.02 0.00 0.00 54.13 54.19 3des s LEU 9 Cb -0.12 -2.16 0.04 0.00 0.02 0.00 0.00 46.19 43.97 3des s LEU 9 CO -0.01 0.30 0.14 -0.44 0.02 0.00 0.00 176.35 176.36 3des s SER 10 N -1.52 0.22 0.16 2.29 0.01 -0.18 -4.95 113.70 109.74 3des s SER 10 Ca 0.20 0.28 -0.31 0.00 1.31 0.00 0.00 55.95 57.43 3des s SER 10 Cb -0.12 0.17 -0.09 0.00 0.21 0.00 0.00 66.02 66.20 3des s SER 10 CO 0.11 -0.18 1.43 -0.22 0.41 0.00 0.00 173.24 174.79 3des s LEU 11 N 1.55 4.38 -0.13 2.44 2.96 -1.26 -0.86 118.68 127.75 3des s LEU 11 Ca -0.05 2.47 -0.03 0.00 -0.22 0.00 0.00 54.13 56.30 3des s LEU 11 Cb -0.12 -3.60 0.05 0.00 0.50 0.00 0.00 46.19 43.02 3des s LEU 11 CO -0.05 -0.69 0.05 -0.54 -1.32 0.00 0.00 176.35 173.80 3des s LYS 12 N 0.69 0.34 -0.16 1.98 3.01 -0.37 -4.92 119.74 120.31 3des s LYS 12 Ca 0.64 -0.07 -0.07 0.00 -1.01 0.00 0.00 55.97 55.46 3des s LYS 12 Cb -0.39 -1.51 -0.04 0.00 -1.01 0.00 0.00 37.83 34.88 3des s LYS 12 CO 0.34 -0.52 0.08 0.50 0.51 0.00 0.00 175.35 176.26 3des s ARG 13 N 2.02 3.76 0.16 1.68 3.52 -1.26 -0.62 118.95 128.21 3des s ARG 13 Ca 0.02 -0.28 0.09 0.00 -0.13 0.00 0.00 55.73 55.43 3des s ARG 13 Cb -0.15 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 3des s ARG 13 CO -0.07 0.45 -0.20 0.71 -0.81 0.00 0.00 175.30 175.38 3des s TYR 14 N -0.11 1.89 -0.06 5.12 2.02 -0.19 -4.99 117.35 121.04 3des s TYR 14 Ca 0.08 -0.44 0.04 0.00 -0.37 0.00 0.00 57.07 56.38 3des s TYR 14 Cb -0.12 -0.96 -0.02 0.00 -0.40 0.00 0.00 41.96 40.46 3des s TYR 14 CO 0.01 0.33 -0.19 -2.00 -1.57 0.00 0.00 175.55 172.13 3des s GLU 15 N -2.61 2.56 0.37 -0.62 2.56 -1.26 -0.65 118.70 119.05 3des s GLU 15 Ca 0.15 -0.79 -0.25 0.00 0.00 0.00 0.00 54.97 54.08 3des s GLU 15 Cb -0.07 -2.30 -0.09 0.00 2.00 0.00 0.00 34.13 33.67 3des s GLU 15 CO 0.07 0.50 1.01 0.71 -0.56 0.00 0.00 175.26 176.99 3des s TYR 16 N -0.43 3.42 0.52 5.30 2.02 -0.12 0.64 117.35 128.71 3des s TYR 16 Ca 0.05 1.69 0.18 0.00 -0.37 0.00 0.00 57.07 58.62 3des s TYR 16 Cb -0.12 -3.05 1.34 0.00 -0.40 0.00 0.00 41.96 39.72 3des s TYR 16 CO 0.02 -0.32 2.15 0.93 -1.57 0.00 0.00 175.55 176.76 3des h GLU 17 N 2.74 0.00 -2.96 -0.62 5.08 -1.51 -3.44 114.58 113.87 3des h GLU 17 Ca -0.48 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.82 3des h GLU 17 Cb 1.20 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.30 3des h GLU 17 CO 0.63 0.02 -0.01 -1.59 -1.00 0.00 0.00 179.01 177.06 3des s LYS 18 N -4.96 1.03 0.08 2.33 -2.85 -1.26 -5.08 119.74 109.03 3des s LYS 18 Ca -0.05 -0.37 -0.36 0.00 -1.00 0.00 0.00 55.97 54.20 3des s LYS 18 Cb 0.17 0.46 -0.16 0.00 -2.06 0.00 0.00 37.83 36.24 3des s LYS 18 CO 0.65 -0.38 1.44 -2.30 0.10 0.00 0.00 175.35 174.87 3des n PRO 19 N 0.27 1.46 -3.34 1.78 -0.02 -1.26 -4.90 135.00 128.98 3des n PRO 19 Ca -0.18 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.41 3des n PRO 19 Cb 0.61 -2.21 -0.09 0.00 -0.02 0.00 0.00 33.50 31.79 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 0.86 3.18 -0.27 6.00 5.36 0.14 -4.91 117.98 128.34 3des s PHE 20 Ca 0.84 -0.26 -0.07 0.00 -0.96 0.00 0.00 56.93 56.48 3des s PHE 20 Cb -0.87 -2.82 -0.01 0.00 -0.34 0.00 0.00 43.02 38.98 3des s PHE 20 CO 0.45 -0.62 0.06 -1.58 -1.46 0.00 0.00 175.22 172.08 3des s HIS 21 N 2.10 3.11 0.34 10.12 5.65 -1.26 -1.06 115.29 134.28 3des s HIS 21 Ca 0.12 -0.79 0.04 0.00 0.25 0.00 0.00 55.06 54.68 3des s HIS 21 Cb -0.17 -2.24 -0.06 0.00 -1.18 0.00 0.00 32.58 28.94 3des s HIS 21 CO 0.13 -0.50 0.06 0.96 -0.65 0.00 0.00 174.74 174.74 3des s ILE 22 N 1.54 1.21 -0.21 0.89 -4.36 -0.09 -0.70 121.20 119.47 3des s ILE 22 Ca 0.04 -2.00 -0.39 0.00 -0.26 0.00 0.00 60.65 58.04 3des s ILE 22 Cb -0.16 -2.77 -0.15 0.00 1.25 0.00 0.00 42.46 40.63 3des s ILE 22 CO 0.02 0.00 1.71 0.41 0.24 0.00 0.00 174.94 177.32 3des n THR 23 N -0.74 0.29 -1.38 8.37 -1.04 -1.26 -1.26 114.28 117.25 3des n THR 23 Ca -0.03 -0.05 -0.13 0.00 -2.04 0.00 0.00 64.05 61.80 3des n THR 23 Cb 0.67 -1.23 -0.06 0.00 -1.82 0.00 0.00 70.33 67.89 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 4.00 1.37 3.63 3.41 0.00 -1.26 -4.98 105.19 111.35 3des n GLY 24 Ca 0.25 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.73 -0.86 -0.13 1.61 0.15 -0.39 -5.13 113.70 106.22 3des s SER 25 Ca 0.00 1.48 -0.01 0.00 0.70 0.00 0.00 55.95 58.12 3des s SER 25 Cb 0.00 1.41 0.03 0.00 -1.71 0.00 0.00 66.02 65.76 3des s SER 25 CO 0.00 -0.24 -0.05 -0.69 1.20 0.00 0.00 173.24 173.45 3des s VAL 26 N 1.09 0.98 0.06 4.45 1.01 -1.26 -0.91 120.40 125.81 3des s VAL 26 Ca -0.06 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.61 3des s VAL 26 Cb -0.05 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 3des s VAL 26 CO -0.11 0.23 -0.25 -0.44 0.00 0.00 0.00 175.10 174.54 3des s SER 27 N 1.71 3.30 -0.01 3.32 0.01 -0.23 -4.93 113.70 116.87 3des s SER 27 Ca 0.03 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 56.75 3des s SER 27 Cb -0.14 -0.34 -0.06 0.00 0.21 0.00 0.00 66.02 65.70 3des s SER 27 CO -0.08 0.25 0.07 -1.20 0.41 0.00 0.00 173.24 172.69 3des n SER 28 N 1.62 4.12 -4.27 2.44 7.64 -1.26 0.23 113.62 124.14 3des n SER 28 Ca -0.17 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.56 3des n SER 28 Cb 0.52 1.08 -0.10 0.00 -1.01 0.00 0.00 64.21 64.69 3des n SER 28 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3des s GLU 29 N -2.24 1.18 -0.17 1.43 -1.05 -1.26 -0.94 118.70 115.65 3des s GLU 29 Ca -0.01 -1.57 -0.01 0.00 -0.15 0.00 0.00 54.97 53.22 3des s GLU 29 Cb 0.02 -0.43 0.05 0.00 -0.44 0.00 0.00 34.13 33.33 3des s GLU 29 CO 0.16 -0.09 -0.01 0.45 0.95 0.00 0.00 175.26 176.71 3des s SER 30 N -3.22 2.77 -0.43 0.83 0.15 0.18 -4.92 113.70 109.06 3des s SER 30 Ca 0.24 -0.69 -0.15 0.00 0.70 0.00 0.00 55.95 56.06 3des s SER 30 Cb 0.05 -0.75 0.05 0.00 -1.71 0.00 0.00 66.02 63.66 3des s SER 30 CO 0.05 -0.24 0.33 -0.13 1.20 0.00 0.00 173.24 174.46 3des s ARG 31 N 1.74 2.94 0.47 5.44 0.52 -1.26 -1.02 118.95 127.79 3des s ARG 31 Ca 0.00 -1.19 0.07 0.00 -0.52 0.00 0.00 55.73 54.09 3des s ARG 31 Cb -0.16 -4.02 0.00 0.00 0.52 0.00 0.00 34.95 31.30 3des s ARG 31 CO -0.07 -0.88 0.38 -0.80 0.02 0.00 0.00 175.30 173.95 3des s ASN 32 N 2.09 4.81 -0.13 0.23 0.01 0.21 -4.45 114.94 117.71 3des s ASN 32 Ca 0.04 -0.99 -0.01 0.00 -0.71 0.00 0.00 52.86 51.19 3des s ASN 32 Cb -0.21 -0.14 0.04 0.00 0.41 0.00 0.00 41.25 41.35 3des s ASN 32 CO 0.08 -0.85 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.10 3des s VAL 33 N -2.61 0.78 0.13 1.60 1.01 0.08 -1.23 120.40 120.15 3des s VAL 33 Ca 0.43 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 3des s VAL 33 Cb -0.02 -0.97 -0.07 0.00 0.00 0.00 0.00 36.38 35.32 3des s VAL 33 CO 0.25 0.17 0.68 -0.70 0.00 0.00 0.00 175.10 175.50 3des s GLU 34 N 1.79 4.38 -0.08 2.72 2.12 -0.04 -0.59 118.70 128.99 3des s GLU 34 Ca 0.03 0.95 0.03 0.00 0.36 0.00 0.00 54.97 56.33 3des s GLU 34 Cb -0.14 -3.22 -0.02 0.00 0.26 0.00 0.00 34.13 31.01 3des s GLU 34 CO -0.07 0.59 -0.16 0.08 -0.54 0.00 0.00 175.26 175.16 3des s VAL 35 N -1.16 2.87 -0.09 3.70 1.01 0.11 -1.01 120.40 125.83 3des s VAL 35 Ca 0.33 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3des s VAL 35 Cb -0.21 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.04 3des s VAL 35 CO 0.23 0.56 -0.12 -0.70 0.00 0.00 0.00 175.10 175.07 3des s GLU 36 N -0.19 1.80 -0.14 2.72 2.12 -0.22 -1.12 118.70 123.69 3des s GLU 36 Ca -0.01 -0.41 -0.03 0.00 0.36 0.00 0.00 54.97 54.88 3des s GLU 36 Cb -0.13 -1.60 -0.03 0.00 0.26 0.00 0.00 34.13 32.63 3des s GLU 36 CO 0.03 -0.08 -0.04 0.42 -0.54 0.00 0.00 175.26 175.05 3des s ILE 37 N 1.05 3.88 -0.17 -3.70 1.01 0.55 -0.87 121.20 122.95 3des s ILE 37 Ca -0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.20 3des s ILE 37 Cb -0.15 -2.68 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 3des s ILE 37 CO -0.01 0.52 -0.14 -0.69 0.00 0.00 0.00 174.94 174.62 3des s VAL 38 N 0.08 2.74 0.33 2.92 1.01 0.42 -0.53 120.40 127.36 3des s VAL 38 Ca -0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 3des s VAL 38 Cb -0.14 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 3des s VAL 38 CO 0.03 0.50 0.62 -0.76 0.00 0.00 0.00 175.10 175.49 3des s LEU 39 N 0.97 3.98 0.59 3.92 1.02 -0.12 0.35 118.68 129.40 3des s LEU 39 Ca -0.02 0.82 0.29 0.00 0.02 0.00 0.00 54.13 55.24 3des s LEU 39 Cb -0.15 -3.66 1.72 0.00 0.02 0.00 0.00 46.19 44.13 3des s LEU 39 CO -0.02 -0.26 2.15 -0.08 0.02 0.00 0.00 176.35 178.16 3des h GLU 40 N 1.49 0.00 -0.00 1.70 4.81 -1.14 0.18 114.58 121.62 3des h GLU 40 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3des h GLU 40 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3des h GLU 40 CO 0.65 0.00 -0.02 -1.13 -0.73 0.00 0.00 179.01 177.78 3des n SER 41 N -3.80 0.05 0.00 1.04 3.41 -1.26 -4.90 113.62 108.17 3des n SER 41 Ca -0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3des n SER 41 Cb 0.24 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.34 0.52 3.76 5.00 0.00 0.63 -5.06 105.19 111.38 3des n GLY 42 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.14 2.62 -0.07 1.61 1.01 -1.26 -4.76 120.40 117.41 3des s VAL 43 Ca 0.00 0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.49 3des s VAL 43 Cb 0.00 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 33.13 3des s VAL 43 CO 0.00 0.02 -0.09 -0.54 0.00 0.00 0.00 175.10 174.49 3des s LYS 44 N -2.62 1.44 -0.02 2.72 1.02 -1.26 -0.94 119.74 120.08 3des s LYS 44 Ca 0.64 -0.30 -0.00 0.00 0.02 0.00 0.00 55.97 56.33 3des s LYS 44 Cb -0.35 -1.30 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 3des s LYS 44 CO 0.43 -0.06 0.04 0.20 -0.92 0.00 0.00 175.35 175.05 3des s GLY 45 N 0.94 1.95 -0.01 -3.33 0.00 0.31 -4.67 107.32 102.50 3des s GLY 45 Ca -0.10 -0.88 0.05 0.00 0.00 0.00 0.00 44.72 43.79 3des s GLY 45 CO 0.01 -0.74 -0.17 -0.19 0.00 0.00 0.00 173.10 172.01 3des s TYR 46 N -1.11 1.50 0.17 1.90 2.02 -1.26 -0.33 117.35 120.24 3des s TYR 46 Ca 0.20 -0.29 -0.05 0.00 -0.37 0.00 0.00 57.07 56.56 3des s TYR 46 Cb -0.12 -0.97 -0.02 0.00 -0.40 0.00 0.00 41.96 40.45 3des s TYR 46 CO 0.11 -0.03 0.20 0.20 -1.57 0.00 0.00 175.55 174.45 3des s GLY 47 N -0.37 0.83 -0.02 0.71 0.00 -0.27 -4.04 107.32 104.16 3des s GLY 47 Ca 0.06 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.55 3des s GLY 47 CO -0.01 -1.10 0.01 1.85 0.00 0.00 0.00 173.10 173.85 3des s GLU 48 N -4.03 0.11 -0.17 2.90 2.12 -1.26 0.09 118.70 118.46 3des s GLU 48 Ca 0.24 0.07 -0.05 0.00 0.36 0.00 0.00 54.97 55.59 3des s GLU 48 Cb 0.05 -0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.15 3des s GLU 48 CO 0.03 -0.09 -0.00 0.00 -0.54 0.00 0.00 175.26 174.66 3des s ALA 49 N 0.67 3.14 -0.72 6.30 0.00 0.24 -4.38 121.76 127.00 3des s ALA 49 Ca -0.06 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.14 3des s ALA 49 Cb -0.09 -1.69 0.17 0.00 0.00 0.00 0.00 23.12 21.52 3des s ALA 49 CO -0.02 0.19 0.52 0.45 0.00 0.00 0.00 175.76 176.91 3des s SER 50 N 0.39 4.99 0.50 0.00 0.15 -1.26 -0.74 113.70 117.73 3des s SER 50 Ca -0.02 -3.78 -0.23 0.00 0.70 0.00 0.00 55.95 52.62 3des s SER 50 Cb -0.14 -1.68 -0.07 0.00 -1.71 0.00 0.00 66.02 62.43 3des s SER 50 CO 0.02 -0.11 1.38 -0.81 1.20 0.00 0.00 173.24 174.92 3des n PRO 51 N 2.11 1.92 -4.02 5.44 -0.04 -1.26 -4.63 135.00 134.51 3des n PRO 51 Ca 0.19 0.69 -0.29 0.00 -0.04 0.00 0.00 63.50 64.06 3des n PRO 51 Cb 0.35 -2.58 -0.17 0.00 -0.04 0.00 0.00 33.50 31.06 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 -0.72 2.45 0.04 3.54 0.15 -1.26 -4.91 113.70 112.99 3des s SER 52 Ca 0.67 -0.40 -0.18 0.00 0.70 0.00 0.00 55.95 56.74 3des s SER 52 Cb -0.43 -1.03 -0.18 0.00 -1.71 0.00 0.00 66.02 62.66 3des s SER 52 CO 0.53 -0.07 1.23 0.15 1.20 0.00 0.00 173.24 176.27 3des h PHE 53 N 8.03 0.71 -0.26 3.44 3.57 -1.83 -1.27 116.94 129.34 3des h PHE 53 Ca -0.34 -0.31 -0.03 0.00 3.53 0.00 0.00 57.97 60.82 3des h PHE 53 Cb 1.14 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 3des h PHE 53 CO 0.47 1.09 0.06 -0.09 -2.23 0.00 0.00 178.31 177.61 3des h ARG 54 N 0.12 0.41 0.00 1.11 2.43 -1.95 -1.26 114.38 115.25 3des h ARG 54 Ca -0.03 -0.10 -0.15 0.00 -0.81 0.00 0.00 59.98 58.88 3des h ARG 54 Cb 1.15 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 3des h ARG 54 CO 0.10 0.52 -0.84 0.28 -1.51 0.00 0.00 179.97 178.53 3des h VAL 55 N 0.24 1.22 -0.02 0.20 2.07 -1.98 -3.40 116.25 114.57 3des h VAL 55 Ca 0.08 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.36 3des h VAL 55 Cb 0.30 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3des h VAL 55 CO 0.00 0.42 -0.20 0.59 0.02 0.00 0.00 177.57 178.40 3des n ASN 56 N -4.49 2.28 -0.51 0.57 3.02 -0.57 -4.97 115.26 110.59 3des n ASN 56 Ca -0.25 -1.64 -0.07 0.00 -0.03 0.00 0.00 54.58 52.60 3des n ASN 56 Cb 0.62 0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.99 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 1.22 0.86 3.90 7.41 0.00 -0.48 -4.93 105.19 113.18 3des n GLY 57 Ca 0.10 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.24 3.58 -0.03 1.61 2.02 -0.67 -4.85 118.70 118.12 3des s GLU 58 Ca 0.00 0.22 -0.00 0.00 0.02 0.00 0.00 54.97 55.21 3des s GLU 58 Cb 0.00 -2.39 0.03 0.00 0.10 0.00 0.00 34.13 31.87 3des s GLU 58 CO 0.00 -0.16 0.02 1.03 0.02 0.00 0.00 175.26 176.17 3des s ARG 59 N -4.56 0.13 0.33 1.61 0.52 -1.26 -2.58 118.95 113.14 3des s ARG 59 Ca 0.48 0.16 0.09 0.00 -0.52 0.00 0.00 55.73 55.93 3des s ARG 59 Cb -0.10 -0.41 0.83 0.00 0.52 0.00 0.00 34.95 35.79 3des s ARG 59 CO 0.42 -0.18 1.78 -0.24 0.02 0.00 0.00 175.30 177.11 3des h VAL 60 N 6.29 0.67 0.00 3.52 3.04 -1.91 0.19 116.25 128.05 3des h VAL 60 Ca -0.40 -0.23 -0.04 0.00 -1.01 0.00 0.00 66.70 65.03 3des h VAL 60 Cb 1.13 -0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 3des h VAL 60 CO 0.43 0.12 -0.18 -0.33 -1.01 0.00 0.00 177.57 176.60 3des h GLU 61 N 0.67 0.00 -0.21 4.17 3.07 -1.98 -2.13 114.58 118.16 3des h GLU 61 Ca 0.57 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.30 3des h GLU 61 Cb 1.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 3des h GLU 61 CO -0.36 0.18 -0.40 0.00 -1.40 0.00 0.00 179.01 177.03 3des h ALA 62 N 1.82 0.34 -0.18 3.43 0.00 -1.06 -2.43 119.26 121.18 3des h ALA 62 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3des h ALA 62 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3des h ALA 62 CO 0.02 0.44 0.11 -0.07 0.00 0.00 0.00 179.25 179.76 3des h LEU 63 N 0.35 0.19 -1.39 0.00 4.07 -1.04 -2.74 115.31 114.75 3des h LEU 63 Ca 0.01 -0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.98 3des h LEU 63 Cb 1.00 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.67 3des h LEU 63 CO 0.09 0.14 0.41 -0.07 -1.08 0.00 0.00 178.44 177.94 3des h LEU 64 N 0.24 0.71 -1.75 1.67 3.38 -1.41 -2.74 115.31 115.41 3des h LEU 64 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3des h LEU 64 Cb -0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3des h LEU 64 CO -0.02 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.02 3des h ALA 65 N 1.61 1.00 -0.39 1.53 0.00 -1.12 -3.03 119.26 118.87 3des h ALA 65 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3des h ALA 65 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3des h ALA 65 CO -0.05 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.64 3des n ILE 66 N -2.77 2.05 -0.27 0.00 -5.35 -1.03 -4.69 119.36 107.30 3des n ILE 66 Ca -0.00 -1.54 0.08 0.00 -0.27 0.00 0.00 62.75 61.02 3des n ILE 66 Cb 0.17 -0.05 0.22 0.00 -1.74 0.00 0.00 39.64 38.24 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 2.54 0.27 -0.65 6.28 4.81 -1.65 -1.18 114.58 124.99 3des h GLU 67 Ca 0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3des h GLU 67 Cb 1.39 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 3des h GLU 67 CO 0.22 0.18 0.27 -0.91 -0.73 0.00 0.00 179.01 178.04 3des h ASN 68 N 0.27 0.89 -0.35 1.04 -0.26 -1.88 -0.47 115.58 114.83 3des h ASN 68 Ca 0.46 -0.17 -0.02 0.00 -0.56 0.00 0.00 56.30 56.02 3des h ASN 68 Cb 0.83 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.85 3des h ASN 68 CO -0.55 0.81 0.14 0.00 -1.06 0.00 0.00 177.43 176.78 3des h ALA 69 N 1.11 0.46 -0.77 -0.83 0.00 -1.61 0.57 119.26 118.19 3des h ALA 69 Ca 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3des h ALA 69 Cb 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3des h ALA 69 CO -0.02 0.06 0.44 0.28 0.00 0.00 0.00 179.25 180.00 3des h VAL 70 N 0.42 1.23 -0.61 0.00 2.07 -1.03 -0.25 116.25 118.07 3des h VAL 70 Ca 0.12 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 3des h VAL 70 Cb 0.19 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3des h VAL 70 CO -0.01 0.25 0.21 -0.09 0.02 0.00 0.00 177.57 177.94 3des h ARG 71 N 1.06 0.94 0.00 1.57 2.43 -0.79 -2.56 114.38 117.03 3des h ARG 71 Ca 0.27 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 3des h ARG 71 Cb 0.01 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3des h ARG 71 CO -0.05 0.82 -0.29 1.49 -1.51 0.00 0.00 179.97 180.44 3des h GLU 72 N 0.87 0.00 -0.35 0.20 4.57 -0.32 -1.96 114.58 117.58 3des h GLU 72 Ca 0.20 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.23 3des h GLU 72 Cb 0.26 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3des h GLU 72 CO -0.01 0.29 -0.37 0.52 -1.18 0.00 0.00 179.01 178.26 3des h MET 73 N 0.00 0.87 -0.00 1.92 2.86 -0.63 -3.38 114.93 116.57 3des h MET 73 Ca -0.00 -0.47 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3des h MET 73 Cb 0.61 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.29 3des h MET 73 CO 0.04 1.11 -0.39 0.44 1.06 0.00 0.00 176.91 179.17 3des n ILE 74 N -4.11 0.00 -1.91 -1.22 -5.35 -1.16 -5.01 119.36 100.59 3des n ILE 74 Ca -0.03 -0.30 -0.41 0.00 -0.27 0.00 0.00 62.75 61.74 3des n ILE 74 Cb 0.53 1.01 -0.01 0.00 -1.74 0.00 0.00 39.64 39.43 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 -1.78 2.35 0.00 7.28 -4.23 -0.74 -2.52 115.64 116.00 3des s THR 75 Ca 0.04 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 3des s THR 75 Cb 0.07 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.70 3des s THR 75 CO 0.35 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 3des n GLY 76 N 1.46 0.58 3.83 3.99 0.00 0.91 -4.97 105.19 110.99 3des n GLY 76 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3des n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3des s ILE 77 N -2.26 5.34 0.11 -0.61 1.01 -1.05 -4.75 121.20 119.00 3des s ILE 77 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.79 3des s ILE 77 Cb 0.00 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 3des s ILE 77 CO 0.00 0.56 0.94 -0.62 0.00 0.00 0.00 174.94 175.82 3des s ASP 78 N -0.71 7.48 0.12 3.58 -1.08 -1.26 -1.21 116.67 123.59 3des s ASP 78 Ca 0.17 1.77 0.12 0.00 -0.52 0.00 0.00 52.55 54.09 3des s ASP 78 Cb -0.13 -2.58 0.57 0.00 -1.46 0.00 0.00 42.92 39.32 3des s ASP 78 CO 0.06 -0.05 1.37 1.33 0.52 0.00 0.00 175.17 178.40 3des n VAL 79 N 2.74 1.36 0.80 1.11 0.24 -1.26 -1.32 118.33 122.00 3des n VAL 79 Ca 0.02 0.46 0.13 0.00 -2.04 0.00 0.00 64.34 62.91 3des n VAL 79 Cb 0.49 -1.39 0.51 0.00 -1.47 0.00 0.00 33.84 31.98 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 -1.80 0.11 -1.69 7.34 1.85 -1.26 -2.55 116.66 118.67 3des n ARG 80 Ca 0.01 0.12 -0.33 0.00 -1.00 0.00 0.00 57.85 56.64 3des n ARG 80 Cb 0.08 -1.64 0.05 0.00 -1.05 0.00 0.00 32.46 29.91 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 -1.83 6.90 0.23 2.89 3.02 -0.43 -4.80 115.26 121.23 3des n ASN 81 Ca 0.06 -3.79 0.17 0.00 -0.03 0.00 0.00 54.58 50.99 3des n ASN 81 Cb 0.36 -0.83 0.85 0.00 -0.61 0.00 0.00 39.78 39.55 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 2.30 0.00 0.00 3.10 -0.00 -1.65 -1.21 116.97 119.52 3des h TYR 82 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.23 3des h TYR 82 Cb 0.79 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.51 3des h TYR 82 CO 1.22 0.00 -0.16 0.00 -0.00 0.00 0.00 178.16 179.22 3des h ALA 83 N 1.81 1.50 -0.22 0.10 0.00 -1.90 0.19 119.26 120.74 3des h ALA 83 Ca 0.07 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 3des h ALA 83 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3des h ALA 83 CO -0.00 0.20 -0.63 0.00 0.00 0.00 0.00 179.25 178.82 3des h ARG 84 N 0.00 0.79 -0.42 0.00 3.08 -1.62 -1.41 114.38 114.80 3des h ARG 84 Ca -0.00 -0.55 -0.09 0.00 0.07 0.00 0.00 59.98 59.41 3des h ARG 84 Cb 0.33 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3des h ARG 84 CO 0.02 1.18 -0.07 0.82 -1.07 0.00 0.00 179.97 180.85 3des h ILE 85 N 0.58 1.27 -0.74 2.04 2.04 -1.33 -0.59 117.51 120.78 3des h ILE 85 Ca -0.01 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.70 3des h ILE 85 Cb 1.24 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 3des h ILE 85 CO 0.13 0.39 0.48 -0.26 0.00 0.00 0.00 178.15 178.89 3des h PHE 86 N 0.62 0.93 -0.10 1.37 -1.00 -0.60 -0.15 116.94 118.02 3des h PHE 86 Ca 0.11 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 3des h PHE 86 Cb 0.59 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 39.83 3des h PHE 86 CO 0.05 0.60 0.02 1.49 -1.61 0.00 0.00 178.31 178.85 3des h GLU 87 N 1.00 0.17 -0.20 1.51 4.81 -1.04 -1.92 114.58 118.91 3des h GLU 87 Ca 0.27 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 3des h GLU 87 Cb -0.10 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.21 3des h GLU 87 CO -0.06 0.36 -0.11 0.82 -0.73 0.00 0.00 179.01 179.29 3des h ILE 88 N -0.05 0.66 0.00 2.32 1.08 -0.80 -2.16 117.51 118.57 3des h ILE 88 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 3des h ILE 88 Cb 0.27 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 3des h ILE 88 CO 0.00 0.00 0.00 0.35 -0.69 0.00 0.00 178.15 177.81 3des n THR 89 N -5.27 0.87 0.30 -0.27 -2.24 -0.09 -2.19 114.28 105.39 3des n THR 89 Ca -0.02 0.22 0.19 0.00 -2.27 0.00 0.00 64.05 62.17 3des n THR 89 Cb 0.19 -1.08 0.85 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.65 3.42 3.32 -0.65 -1.19 116.42 121.97 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 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 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 -3.09 0.16 -0.83 3.56 1.74 -0.93 -2.92 116.66 114.34 3des n ARG 91 Ca -0.01 0.40 -0.14 0.00 -0.77 0.00 0.00 57.85 57.34 3des n ARG 91 Cb 0.23 -1.81 0.03 0.00 -1.02 0.00 0.00 32.46 29.90 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 -2.11 6.27 0.10 0.55 4.77 -0.45 -4.52 117.00 121.61 3des n LEU 92 Ca 0.02 -3.15 0.09 0.00 -0.03 0.00 0.00 56.01 52.94 3des n LEU 92 Cb 0.21 -1.06 0.41 0.00 -2.33 0.00 0.00 43.42 40.65 3des n LEU 92 CO 0.18 1.18 0.76 2.22 -1.33 0.00 0.00 177.39 180.41 3des n PHE 93 N 0.50 0.51 1.10 -1.77 1.16 -1.15 -0.48 117.46 117.33 3des n PHE 93 Ca 0.26 0.23 0.13 0.00 -1.87 0.00 0.00 57.45 56.20 3des n PHE 93 Cb 0.58 -0.88 0.35 0.00 -1.61 0.00 0.00 39.48 37.92 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 -0.73 -1.09 2.41 4.97 0.00 -1.26 -4.12 105.19 105.37 3des n GLY 94 Ca 0.01 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.24 1.26 -0.31 1.61 3.72 0.37 -4.73 117.46 118.14 3des n PHE 95 Ca 0.08 -3.74 0.09 0.00 -0.05 0.00 0.00 57.45 53.84 3des n PHE 95 Cb 0.33 -0.42 0.26 0.00 -0.94 0.00 0.00 39.48 38.71 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 2.98 0.59 -0.34 -1.08 0.13 -1.69 -1.45 132.00 131.14 3des h PRO 96 Ca 0.09 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.11 3des h PRO 96 Cb 0.88 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 3des h PRO 96 CO 0.58 0.39 -0.11 0.66 -0.23 0.00 0.00 178.00 179.29 3des h SER 97 N 0.61 0.57 0.38 1.44 4.64 -1.80 -0.37 113.55 119.01 3des h SER 97 Ca 0.50 -0.15 -0.18 0.00 -0.47 0.00 0.00 61.79 61.49 3des h SER 97 Cb 0.77 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 3des h SER 97 CO -0.39 0.71 -0.73 0.25 -0.87 0.00 0.00 176.83 175.80 3des h LEU 98 N 0.54 0.36 -0.16 5.97 5.85 -1.70 -2.00 115.31 124.17 3des h LEU 98 Ca 0.10 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3des h LEU 98 Cb 0.51 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3des h LEU 98 CO 0.03 0.97 0.10 0.50 -0.34 0.00 0.00 178.44 179.70 3des h LYS 99 N 0.20 0.22 -0.16 1.25 3.64 -0.73 -0.42 116.57 120.57 3des h LYS 99 Ca -0.03 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3des h LYS 99 Cb 1.30 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 3des h LYS 99 CO 0.12 0.18 0.07 0.00 -2.27 0.00 0.00 179.45 177.55 3des h ALA 100 N 1.03 0.19 -0.75 5.00 0.00 -0.96 -0.94 119.26 122.82 3des h ALA 100 Ca 0.06 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3des h ALA 100 Cb 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3des h ALA 100 CO -0.01 -0.36 0.49 0.00 0.00 0.00 0.00 179.25 179.37 3des h ALA 101 N 1.08 0.95 -0.39 0.00 0.00 -1.12 0.05 119.26 119.83 3des h ALA 101 Ca 0.07 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3des h ALA 101 Cb 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3des h ALA 101 CO -0.05 0.35 -0.34 0.28 0.00 0.00 0.00 179.25 179.49 3des h VAL 102 N 1.00 1.27 -0.47 0.00 2.07 -0.87 -0.66 116.25 118.60 3des h VAL 102 Ca 0.28 -1.51 -0.12 0.00 0.82 0.00 0.00 66.70 66.17 3des h VAL 102 Cb -0.10 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3des h VAL 102 CO -0.07 0.51 -0.20 1.56 0.02 0.00 0.00 177.57 179.39 3des h GLN 103 N 0.75 0.94 -0.16 1.57 4.20 -0.80 -1.95 115.11 119.67 3des h GLN 103 Ca 0.07 -0.39 -0.07 0.00 0.06 0.00 0.00 58.65 58.32 3des h GLN 103 Cb 0.92 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 3des h GLN 103 CO 0.08 1.05 -0.19 0.35 -0.67 0.00 0.00 178.83 179.45 3des h PHE 104 N 0.82 0.50 -0.86 2.96 3.57 -0.95 -2.52 116.94 120.47 3des h PHE 104 Ca 0.11 -0.16 0.19 0.00 3.53 0.00 0.00 57.97 61.65 3des h PHE 104 Cb 0.76 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.34 3des h PHE 104 CO 0.05 0.81 0.57 0.00 -2.23 0.00 0.00 178.31 177.51 3des h ALA 105 N 0.60 2.24 -0.18 2.41 0.00 -1.02 0.42 119.26 123.74 3des h ALA 105 Ca 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3des h ALA 105 Cb 0.74 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3des h ALA 105 CO 0.05 -0.50 -0.06 1.15 0.00 0.00 0.00 179.25 179.88 3des h THR 106 N 0.37 1.30 -0.03 0.00 2.02 -1.12 -1.21 112.91 114.24 3des h THR 106 Ca 0.44 -1.07 -0.10 0.00 0.77 0.00 0.00 66.41 66.45 3des h THR 106 Cb 1.13 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 3des h THR 106 CO -0.15 0.32 -0.45 -0.07 0.37 0.00 0.00 175.52 175.54 3des h LEU 107 N 0.05 0.07 -0.28 2.58 3.38 -0.58 0.03 115.31 120.56 3des h LEU 107 Ca 0.04 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3des h LEU 107 Cb 0.52 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3des h LEU 107 CO 0.02 0.51 0.06 -0.78 0.09 0.00 0.00 178.44 178.35 3des h ASP 108 N 0.06 0.44 -0.33 -0.43 3.58 -0.10 0.76 116.42 120.39 3des h ASP 108 Ca 0.00 -0.24 -0.07 0.00 0.42 0.00 0.00 57.03 57.14 3des h ASP 108 Cb 0.82 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 3des h ASP 108 CO 0.06 0.57 -0.05 0.00 -2.88 0.00 0.00 179.24 176.93 3des h ALA 109 N 0.89 0.45 -0.19 -0.78 0.00 -0.97 -2.67 119.26 115.98 3des h ALA 109 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3des h ALA 109 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3des h ALA 109 CO 0.00 0.26 0.13 1.25 0.00 0.00 0.00 179.25 180.89 3des h LEU 110 N 0.40 0.23 -2.11 0.00 5.85 -0.88 -2.03 115.31 116.76 3des h LEU 110 Ca 0.09 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3des h LEU 110 Cb 0.54 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3des h LEU 110 CO 0.03 0.17 -0.03 0.77 -0.34 0.00 0.00 178.44 179.04 3des h SER 111 N 0.26 0.00 0.01 1.25 4.64 -0.82 -1.25 113.55 117.64 3des h SER 111 Ca 0.07 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.18 3des h SER 111 Cb -0.02 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3des h SER 111 CO -0.01 0.03 -0.78 1.56 -0.87 0.00 0.00 176.83 176.75 3des h GLN 112 N 0.00 0.65 -0.66 4.77 4.20 -1.04 0.13 115.11 123.16 3des h GLN 112 Ca -0.00 -0.54 -0.06 0.00 0.06 0.00 0.00 58.65 58.10 3des h GLN 112 Cb 0.06 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 3des h GLN 112 CO 0.00 1.16 0.16 0.93 -0.67 0.00 0.00 178.83 180.41 3des h GLU 113 N 0.44 1.06 0.00 1.46 5.08 -0.59 -2.48 114.58 119.54 3des h GLU 113 Ca -0.05 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3des h GLU 113 Cb 1.40 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3des h GLU 113 CO 0.15 0.95 0.00 1.28 -1.00 0.00 0.00 179.01 180.39 3des n LEU 114 N -4.29 0.09 -0.56 1.33 4.77 -0.59 -4.91 117.00 112.85 3des n LEU 114 Ca 0.04 0.51 -0.05 0.00 -0.03 0.00 0.00 56.01 56.49 3des n LEU 114 Cb 0.25 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3des n LEU 114 CO 0.42 -0.11 -0.05 0.61 -1.33 0.00 0.00 177.39 176.93 3des n GLY 115 N 1.00 0.21 0.00 -0.72 0.00 -0.65 -5.03 105.19 99.99 3des n GLY 115 Ca 0.06 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.95 0.00 -4.44 2.61 5.66 0.36 -5.03 114.28 109.49 3des n THR 116 Ca -0.05 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.72 3des n THR 116 Cb 0.54 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.22 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 0.59 1.60 0.13 1.09 -0.21 -1.26 -4.25 119.66 117.35 3des s GLN 117 Ca 0.00 -1.74 -0.19 0.00 0.02 0.00 0.00 55.36 53.44 3des s GLN 117 Cb 0.00 -1.56 -0.02 0.00 1.00 0.00 0.00 33.01 32.44 3des s GLN 117 CO 0.00 0.25 1.72 0.28 -2.12 0.00 0.00 175.29 175.43 3des h VAL 118 N 2.32 0.86 -0.80 1.09 2.07 -1.92 -1.69 116.25 118.18 3des h VAL 118 Ca -0.40 -0.03 0.19 0.00 0.82 0.00 0.00 66.70 67.28 3des h VAL 118 Cb 1.25 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 3des h VAL 118 CO 0.62 0.02 0.55 0.00 0.02 0.00 0.00 177.57 178.77 3des h TYR 120 N 0.27 0.78 0.00 0.00 0.05 -1.67 0.13 116.97 116.53 3des h TYR 120 Ca 0.40 -0.46 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 3des h TYR 120 Cb 1.16 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 3des h TYR 120 CO -0.00 1.30 -0.02 1.25 -1.05 0.00 0.00 178.16 179.63 3des h LEU 121 N 0.26 0.00 -2.24 3.88 5.85 -0.22 -1.58 115.31 121.26 3des h LEU 121 Ca -0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3des h LEU 121 Cb 1.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.77 3des h LEU 121 CO 0.20 0.02 0.00 0.18 -0.34 0.00 0.00 178.44 178.50 3des n LEU 122 N -4.37 3.34 0.00 2.25 4.77 -0.59 -4.92 117.00 117.48 3des n LEU 122 Ca -0.03 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.27 3des n LEU 122 Cb 0.11 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3des n LEU 122 CO 0.33 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 3des n GLY 123 N 1.08 1.26 3.73 -0.72 0.00 -0.60 -3.79 105.19 106.15 3des n GLY 123 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.06 -0.50 0.06 -0.02 0.00 0.45 -4.89 105.19 100.23 3des n GLY 124 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.73 0.04 -6.31 1.61 1.63 -0.94 -3.45 116.57 107.42 3des h LYS 125 Ca -0.54 -0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 58.65 3des h LYS 125 Cb 1.36 -0.01 -0.17 0.00 -0.60 0.00 0.00 32.23 32.81 3des h LYS 125 CO 0.64 0.03 -0.79 1.03 -3.45 0.00 0.00 179.45 176.90 3des s ARG 126 N -6.19 1.49 -0.09 1.90 0.52 0.28 -4.97 118.95 111.89 3des s ARG 126 Ca -0.13 -1.56 0.20 0.00 -0.52 0.00 0.00 55.73 53.72 3des s ARG 126 Cb 0.07 -1.68 -0.30 0.00 0.52 0.00 0.00 34.95 33.57 3des s ARG 126 CO 0.67 0.34 0.32 -0.25 0.02 0.00 0.00 175.30 176.40 3des n ASP 127 N 0.03 0.22 -3.86 0.23 8.00 -1.26 -4.64 116.55 115.27 3des n ASP 127 Ca -0.11 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.28 3des n ASP 127 Cb 0.57 1.61 -0.12 0.00 -0.02 0.00 0.00 41.12 43.17 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 -3.11 0.27 0.09 -1.24 2.12 -1.26 -4.07 118.70 111.50 3des s GLU 128 Ca -0.08 -0.12 0.02 0.00 0.36 0.00 0.00 54.97 55.14 3des s GLU 128 Cb 0.11 0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.57 3des s GLU 128 CO 0.84 -0.05 -0.06 0.96 -0.54 0.00 0.00 175.26 176.41 3des s ILE 129 N -0.60 0.64 -0.06 -3.70 -4.36 -0.65 -4.98 121.20 107.49 3des s ILE 129 Ca -0.07 -1.86 0.03 0.00 -0.26 0.00 0.00 60.65 58.50 3des s ILE 129 Cb -0.04 -1.58 0.00 0.00 1.25 0.00 0.00 42.46 42.09 3des s ILE 129 CO 0.00 -0.84 -0.16 -1.61 0.24 0.00 0.00 174.94 172.57 3des s GLU 130 N -3.66 1.92 0.13 0.37 2.02 -1.26 -0.88 118.70 117.35 3des s GLU 130 Ca 0.10 -0.56 0.02 0.00 0.02 0.00 0.00 54.97 54.55 3des s GLU 130 Cb 0.04 -1.59 -0.04 0.00 0.10 0.00 0.00 34.13 32.64 3des s GLU 130 CO -0.05 0.14 0.24 -0.08 0.02 0.00 0.00 175.26 175.53 3des s THR 131 N 0.34 5.17 0.25 3.63 -1.32 -0.27 -3.93 115.64 119.51 3des s THR 131 Ca -0.11 -0.69 -0.02 0.00 -1.21 0.00 0.00 61.69 59.67 3des s THR 131 Cb -0.14 -3.62 0.05 0.00 -1.51 0.00 0.00 72.50 67.28 3des s THR 131 CO 0.04 -0.04 0.34 -0.90 -2.21 0.00 0.00 174.62 171.86 3des n ASP 132 N -0.29 0.28 -3.91 8.08 5.68 -0.45 -4.70 116.55 121.24 3des n ASP 132 Ca -0.07 -1.28 -0.11 0.00 -0.50 0.00 0.00 54.79 52.83 3des n ASP 132 Cb 0.53 -0.24 -0.13 0.00 -1.14 0.00 0.00 41.12 40.14 3des n ASP 132 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3des s LYS 133 N -3.46 0.12 -0.07 0.11 2.20 -1.11 -4.54 119.74 112.99 3des s LYS 133 Ca 0.21 -0.23 -0.12 0.00 -0.36 0.00 0.00 55.97 55.47 3des s LYS 133 Cb -0.01 0.04 -0.05 0.00 -1.51 0.00 0.00 37.83 36.30 3des s LYS 133 CO 0.15 -0.02 0.29 0.99 -0.36 0.00 0.00 175.35 176.40 3des s THR 134 N -0.56 5.25 -0.40 3.43 2.01 -1.26 -1.41 115.64 122.69 3des s THR 134 Ca -0.06 0.57 -0.09 0.00 0.31 0.00 0.00 61.69 62.41 3des s THR 134 Cb -0.04 -3.59 0.06 0.00 0.01 0.00 0.00 72.50 68.94 3des s THR 134 CO -0.00 0.56 0.22 -0.69 -0.69 0.00 0.00 174.62 174.02 3des s VAL 135 N -0.79 4.29 0.96 3.82 1.01 0.92 -4.96 120.40 125.65 3des s VAL 135 Ca 0.19 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 3des s VAL 135 Cb -0.14 -3.53 0.16 0.00 0.00 0.00 0.00 36.38 32.87 3des s VAL 135 CO 0.08 -0.38 1.09 -0.83 0.00 0.00 0.00 175.10 175.07 3des s GLY 136 N 1.85 1.59 0.39 4.51 0.00 -1.26 -1.70 107.32 112.70 3des s GLY 136 Ca 0.02 -0.24 -0.26 0.00 0.00 0.00 0.00 44.72 44.23 3des s GLY 136 CO 0.04 0.32 1.26 -0.42 0.00 0.00 0.00 173.10 174.30 3des s ILE 137 N -2.95 2.80 0.01 0.90 1.01 0.12 -4.76 121.20 118.33 3des s ILE 137 Ca 0.65 0.72 -0.16 0.00 0.00 0.00 0.00 60.65 61.85 3des s ILE 137 Cb -0.18 -3.42 0.05 0.00 0.01 0.00 0.00 42.46 38.92 3des s ILE 137 CO 0.57 0.11 0.73 -0.67 0.00 0.00 0.00 174.94 175.68 3des n ASP 138 N 0.25 -0.79 -4.72 3.58 -0.08 -1.26 -4.61 116.55 108.92 3des n ASP 138 Ca 0.03 -1.24 -0.34 0.00 -1.51 0.00 0.00 54.79 51.73 3des n ASP 138 Cb 0.44 1.24 0.10 0.00 2.34 0.00 0.00 41.12 45.23 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 -2.11 2.21 0.35 5.18 -4.23 -1.26 -4.73 115.64 111.04 3des s THR 139 Ca 0.17 0.10 0.10 0.00 -1.18 0.00 0.00 61.69 60.88 3des s THR 139 Cb -0.01 -2.70 0.33 0.00 1.34 0.00 0.00 72.50 71.46 3des s THR 139 CO 0.00 -0.05 1.83 0.58 -0.54 0.00 0.00 174.62 176.44 3des h VAL 140 N -0.29 0.75 -0.10 2.29 2.07 -1.99 -0.94 116.25 118.05 3des h VAL 140 Ca -0.48 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3des h VAL 140 Cb 1.30 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3des h VAL 140 CO 0.49 0.12 0.04 -0.08 0.02 0.00 0.00 177.57 178.17 3des h GLU 141 N 0.67 0.15 0.00 1.57 4.81 -2.00 -1.20 114.58 118.58 3des h GLU 141 Ca 0.51 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.64 3des h GLU 141 Cb 0.90 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 3des h GLU 141 CO -0.27 0.24 -0.35 -0.91 -0.73 0.00 0.00 179.01 176.99 3des h ASN 142 N 0.02 0.00 -0.01 1.04 2.35 -1.69 -2.38 115.58 114.92 3des h ASN 142 Ca 0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3des h ASN 142 Cb 0.14 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 3des h ASN 142 CO -0.00 0.35 -0.01 0.03 -1.65 0.00 0.00 177.43 176.15 3des h ARG 143 N 0.00 0.02 -0.66 0.81 3.08 -1.00 -1.68 114.38 114.95 3des h ARG 143 Ca -0.00 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.07 3des h ARG 143 Cb 0.82 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.83 3des h ARG 143 CO 0.05 0.49 0.44 0.28 -1.07 0.00 0.00 179.97 180.16 3des h VAL 144 N -0.44 1.09 0.32 2.04 2.07 -1.15 0.26 116.25 120.43 3des h VAL 144 Ca 0.00 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3des h VAL 144 Cb 0.49 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3des h VAL 144 CO 0.00 0.14 -0.15 0.50 0.02 0.00 0.00 177.57 178.08 3des h LYS 145 N 0.78 -0.41 -0.41 1.57 1.63 -1.33 -2.04 116.57 116.36 3des h LYS 145 Ca 0.26 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.09 3des h LYS 145 Cb 0.08 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 3des h LYS 145 CO -0.07 -0.10 0.23 1.49 -3.45 0.00 0.00 179.45 177.55 3des h GLU 146 N -0.78 0.55 -0.43 1.90 4.81 -1.02 -1.08 114.58 118.53 3des h GLU 146 Ca -0.04 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 3des h GLU 146 Cb 0.51 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3des h GLU 146 CO 0.07 0.40 0.02 0.00 -0.73 0.00 0.00 179.01 178.78 3des h ALA 147 N 1.69 0.58 -0.48 2.92 0.00 -0.92 -0.40 119.26 122.65 3des h ALA 147 Ca 0.15 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3des h ALA 147 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3des h ALA 147 CO -0.03 0.34 -0.02 -0.22 0.00 0.00 0.00 179.25 179.33 3des h LYS 148 N 0.59 0.82 -0.49 0.00 3.64 -0.79 -0.06 116.57 120.28 3des h LYS 148 Ca 0.13 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 3des h LYS 148 Cb 0.45 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3des h LYS 148 CO 0.02 0.83 0.12 -0.22 -2.27 0.00 0.00 179.45 177.94 3des h LYS 149 N 0.76 0.78 -0.45 1.90 3.64 -0.96 -0.56 116.57 121.68 3des h LYS 149 Ca 0.14 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 3des h LYS 149 Cb 0.49 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3des h LYS 149 CO 0.02 0.76 0.08 0.82 -2.27 0.00 0.00 179.45 178.86 3des h ILE 150 N 0.67 1.24 -0.84 2.00 2.04 -0.66 -1.71 117.51 120.25 3des h ILE 150 Ca 0.15 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 3des h ILE 150 Cb 0.32 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 3des h ILE 150 CO 0.00 0.31 0.43 0.15 0.00 0.00 0.00 178.15 179.04 3des h PHE 151 N 0.60 1.19 -0.14 1.37 3.57 -0.82 -1.96 116.94 120.74 3des h PHE 151 Ca 0.14 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 3des h PHE 151 Cb 0.37 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3des h PHE 151 CO 0.03 0.85 -0.20 1.49 -2.23 0.00 0.00 178.31 178.24 3des h GLU 152 N 1.19 0.24 0.00 1.11 4.22 -0.89 -2.01 114.58 118.44 3des h GLU 152 Ca 0.29 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.66 3des h GLU 152 Cb 0.09 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3des h GLU 152 CO -0.04 0.44 0.00 0.39 -2.18 0.00 0.00 179.01 177.62 3des n GLU 153 N -4.21 0.39 0.00 1.92 1.02 -0.66 -4.87 120.64 114.22 3des n GLU 153 Ca -0.01 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3des n GLU 153 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 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 0.33 1.91 3.73 0.62 0.00 -0.76 -4.79 105.19 106.23 3des n GLY 154 Ca 0.11 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 -2.30 3.09 -1.04 1.61 0.08 -1.17 -4.79 117.98 113.47 3des s PHE 155 Ca 0.00 0.90 0.10 0.00 0.12 0.00 0.00 56.93 58.04 3des s PHE 155 Cb 0.00 -3.81 0.18 0.00 -0.57 0.00 0.00 43.02 38.81 3des s PHE 155 CO 0.00 -2.80 1.02 0.54 -0.10 0.00 0.00 175.22 173.88 3des n ARG 156 N 3.19 1.63 -3.84 0.44 5.12 -1.26 -4.42 116.66 117.52 3des n ARG 156 Ca 0.10 -1.54 -0.28 0.00 -1.93 0.00 0.00 57.85 54.20 3des n ARG 156 Cb 0.40 -1.22 -0.16 0.00 -1.16 0.00 0.00 32.46 30.32 3des n ARG 156 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3des s VAL 157 N -0.91 0.92 -0.21 1.55 1.01 -1.26 -0.06 120.40 121.44 3des s VAL 157 Ca 0.16 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 3des s VAL 157 Cb 0.10 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 3des s VAL 157 CO 0.13 0.02 -0.03 -0.63 0.00 0.00 0.00 175.10 174.60 3des s ILE 158 N 1.70 3.60 -0.22 2.22 1.01 0.36 -2.75 121.20 127.13 3des s ILE 158 Ca -0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 60.65 60.05 3des s ILE 158 Cb -0.16 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 3des s ILE 158 CO -0.07 0.43 0.46 -0.75 0.00 0.00 0.00 174.94 175.01 3des s LYS 159 N 1.22 4.15 -0.19 2.79 2.20 -0.50 -1.40 119.74 128.00 3des s LYS 159 Ca 0.03 0.29 -0.03 0.00 -0.36 0.00 0.00 55.97 55.90 3des s LYS 159 Cb -0.14 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.58 3des s LYS 159 CO -0.00 -0.16 -0.05 0.42 -0.36 0.00 0.00 175.35 175.20 3des s ILE 160 N 1.67 3.46 0.10 5.43 1.01 0.22 -0.05 121.20 133.04 3des s ILE 160 Ca 0.21 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 60.14 3des s ILE 160 Cb -0.15 -2.54 -0.07 0.00 0.01 0.00 0.00 42.46 39.71 3des s ILE 160 CO 0.09 0.45 0.72 -0.54 0.00 0.00 0.00 174.94 175.66 3des s LYS 161 N 1.07 4.46 0.14 2.79 -0.14 -0.69 -1.29 119.74 126.08 3des s LYS 161 Ca 0.01 1.02 -0.01 0.00 -1.36 0.00 0.00 55.97 55.64 3des s LYS 161 Cb -0.15 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.72 3des s LYS 161 CO -0.00 0.49 0.19 1.33 -0.76 0.00 0.00 175.35 176.60 3des n VAL 162 N 2.04 0.00 0.00 3.17 0.24 -0.76 -4.49 118.33 118.54 3des n VAL 162 Ca -0.06 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 3des n VAL 162 Cb 0.50 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 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 -0.23 1.29 0.03 7.63 0.00 -1.26 -4.16 105.19 108.49 3des n GLY 163 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 4.56 -3.24 1.61 1.02 -1.26 -4.35 120.64 118.98 3des n GLU 164 Ca 0.00 -0.10 -0.03 0.00 -0.02 0.00 0.00 57.16 57.01 3des n GLU 164 Cb 0.00 -0.80 -0.03 0.00 -0.02 0.00 0.00 31.44 30.59 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 -1.41 -0.83 0.19 1.62 3.84 -1.26 -5.05 114.94 112.04 3des s ASN 165 Ca 0.03 -0.86 -0.20 0.00 0.21 0.00 0.00 52.86 52.04 3des s ASN 165 Cb 0.04 1.61 0.13 0.00 -0.55 0.00 0.00 41.25 42.48 3des s ASN 165 CO 0.21 -0.21 1.59 0.25 -2.79 0.00 0.00 177.10 176.15 3des h LEU 166 N 7.16 -1.07 0.06 3.21 5.85 -1.98 0.43 115.31 128.97 3des h LEU 166 Ca 0.04 0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.99 3des h LEU 166 Cb 1.15 0.54 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 3des h LEU 166 CO 0.14 -0.29 -0.12 0.50 -0.34 0.00 0.00 178.44 178.32 3des h LYS 167 N -0.15 -0.22 -0.63 1.25 3.64 -2.00 -1.03 116.57 117.44 3des h LYS 167 Ca 0.24 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 3des h LYS 167 Cb 0.54 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3des h LYS 167 CO -0.66 -0.15 0.10 1.49 -2.27 0.00 0.00 179.45 177.96 3des h GLU 168 N -0.23 1.04 -0.75 1.90 4.81 -1.85 -2.13 114.58 117.37 3des h GLU 168 Ca 0.02 -0.28 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 3des h GLU 168 Cb 0.26 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 3des h GLU 168 CO -0.08 0.97 0.47 -0.44 -0.73 0.00 0.00 179.01 179.20 3des h ASP 169 N 0.95 0.75 -0.65 1.04 3.32 0.09 0.41 116.42 122.33 3des h ASP 169 Ca 0.19 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 3des h ASP 169 Cb 0.44 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 3des h ASP 169 CO 0.01 0.51 0.25 0.40 -1.72 0.00 0.00 179.24 178.69 3des h ILE 170 N 0.89 1.24 -0.24 0.35 2.04 -0.99 -1.74 117.51 119.07 3des h ILE 170 Ca 0.31 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3des h ILE 170 Cb 0.06 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3des h ILE 170 CO -0.13 0.30 0.06 -0.08 0.00 0.00 0.00 178.15 178.30 3des h GLU 171 N 0.92 0.38 -0.03 2.37 4.57 -0.64 -1.95 114.58 120.21 3des h GLU 171 Ca 0.21 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.33 3des h GLU 171 Cb 0.23 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.72 3des h GLU 171 CO -0.02 0.50 -0.24 0.00 -1.18 0.00 0.00 179.01 178.07 3des h ALA 172 N 0.87 -0.29 -0.24 2.92 0.00 -0.00 0.27 119.26 122.79 3des h ALA 172 Ca 0.07 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3des h ALA 172 Cb 0.29 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3des h ALA 172 CO 0.00 -0.73 0.09 0.28 0.00 0.00 0.00 179.25 178.90 3des h VAL 173 N -0.35 0.96 -0.84 0.00 2.07 -1.29 0.04 116.25 116.84 3des h VAL 173 Ca 0.07 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3des h VAL 173 Cb 0.45 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3des h VAL 173 CO -0.23 0.04 0.53 -0.33 0.02 0.00 0.00 177.57 177.59 3des h GLU 174 N 0.21 0.97 -0.49 1.57 5.08 -1.00 -1.07 114.58 119.84 3des h GLU 174 Ca 0.10 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 3des h GLU 174 Cb 0.05 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3des h GLU 174 CO -0.09 0.64 -0.18 0.93 -1.00 0.00 0.00 179.01 179.30 3des h GLU 175 N 0.99 0.98 -0.49 2.33 4.39 -0.48 -3.07 114.58 119.24 3des h GLU 175 Ca 0.35 -0.41 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 3des h GLU 175 Cb 0.09 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3des h GLU 175 CO -0.14 1.08 -0.03 0.82 -1.16 0.00 0.00 179.01 179.57 3des h ILE 176 N 0.84 1.25 -0.33 3.13 2.04 -0.59 -3.18 117.51 120.67 3des h ILE 176 Ca 0.12 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.89 3des h ILE 176 Cb 0.76 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3des h ILE 176 CO 0.06 0.38 0.21 0.00 0.00 0.00 0.00 178.15 178.80 3des h ALA 177 N 1.18 0.41 0.00 1.87 0.00 -1.12 -2.72 119.26 118.89 3des h ALA 177 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3des h ALA 177 Cb 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3des h ALA 177 CO 0.03 -0.13 0.00 0.36 0.00 0.00 0.00 179.25 179.51 3des n LYS 178 N -4.87 0.03 -0.06 0.00 2.85 -1.17 -2.55 118.16 112.38 3des n LYS 178 Ca -0.01 0.27 0.08 0.00 -1.05 0.00 0.00 58.31 57.60 3des n LYS 178 Cb 0.03 -1.50 0.11 0.00 -0.65 0.00 0.00 35.03 33.02 3des n LYS 178 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 3des n VAL 179 N -1.47 1.66 -2.43 0.58 0.24 -1.04 -4.61 118.33 111.26 3des n VAL 179 Ca 0.03 -1.96 0.01 0.00 -2.04 0.00 0.00 64.34 60.38 3des n VAL 179 Cb 0.14 -0.07 0.01 0.00 -1.47 0.00 0.00 33.84 32.44 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 -1.22 0.15 -1.62 3.34 -2.24 -1.06 -4.80 114.28 106.84 3des n THR 180 Ca 0.12 -0.99 -0.52 0.00 -2.27 0.00 0.00 64.05 60.39 3des n THR 180 Cb 0.56 0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 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 0.16 1.28 0.00 -0.78 1.74 -1.19 -1.46 116.66 116.42 3des n ARG 181 Ca -0.03 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 3des n ARG 181 Cb 0.99 -2.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 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 2.97 0.63 3.95 -0.13 0.00 -1.26 -5.09 105.19 106.26 3des n GLY 182 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.01 3.82 0.14 4.61 0.00 -0.54 -5.00 121.76 122.79 3des s ALA 183 Ca 0.00 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 50.96 3des s ALA 183 Cb 0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 3des s ALA 183 CO 0.00 0.16 0.10 0.15 0.00 0.00 0.00 175.76 176.17 3des s LYS 184 N -4.03 2.82 -0.03 0.00 1.02 0.92 -4.99 119.74 115.45 3des s LYS 184 Ca 0.37 -0.86 0.06 0.00 0.02 0.00 0.00 55.97 55.56 3des s LYS 184 Cb -0.10 -2.63 -0.01 0.00 -0.52 0.00 0.00 37.83 34.58 3des s LYS 184 CO 0.32 0.50 -0.20 0.71 -0.92 0.00 0.00 175.35 175.76 3des s TYR 185 N -1.65 1.91 -0.19 3.18 2.02 -1.26 -0.48 117.35 120.88 3des s TYR 185 Ca 0.30 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.52 3des s TYR 185 Cb -0.10 -1.25 0.01 0.00 -0.40 0.00 0.00 41.96 40.21 3des s TYR 185 CO 0.22 -0.12 -0.13 0.42 -1.57 0.00 0.00 175.55 174.37 3des s ILE 186 N -0.23 2.66 -0.22 2.71 1.01 -0.49 0.06 121.20 126.70 3des s ILE 186 Ca 0.01 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 3des s ILE 186 Cb -0.10 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3des s ILE 186 CO 0.01 0.49 0.07 -0.69 0.00 0.00 0.00 174.94 174.82 3des s VAL 187 N 1.27 4.58 -0.23 2.92 1.01 -0.38 0.71 120.40 130.28 3des s VAL 187 Ca 0.03 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3des s VAL 187 Cb -0.14 -3.10 0.05 0.00 0.00 0.00 0.00 36.38 33.19 3des s VAL 187 CO -0.07 0.39 -0.12 -0.62 0.00 0.00 0.00 175.10 174.68 3des s ASP 188 N 1.02 3.97 0.00 3.32 -1.08 -0.41 0.12 116.67 123.60 3des s ASP 188 Ca 0.04 -1.15 0.26 0.00 -0.52 0.00 0.00 52.55 51.18 3des s ASP 188 Cb -0.14 -1.44 0.69 0.00 -1.46 0.00 0.00 42.92 40.57 3des s ASP 188 CO 0.03 -0.15 1.53 0.00 0.52 0.00 0.00 175.17 177.10 3des n ALA 189 N 4.53 3.26 -4.08 3.66 0.00 -1.04 -1.83 120.51 125.02 3des n ALA 189 Ca -0.15 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.63 3des n ALA 189 Cb 0.44 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.18 -0.86 -0.51 0.00 4.13 -1.22 -1.29 115.26 114.33 3des n ASN 190 Ca 0.08 -1.15 -0.07 0.00 1.68 0.00 0.00 54.58 55.13 3des n ASN 190 Cb 0.33 -2.37 -0.03 0.00 -1.54 0.00 0.00 39.78 36.18 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 -4.54 -1.39 0.25 3.52 2.81 0.34 -4.75 117.12 113.36 3des n MET 191 Ca -0.27 0.67 0.14 0.00 -1.81 0.00 0.00 57.70 56.43 3des n MET 191 Cb 0.67 -4.85 0.47 0.00 -0.71 0.00 0.00 33.22 28.79 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 -2.98 3.03 0.00 -1.28 -3.33 103.07 98.51 3des h GLY 192 Ca -0.14 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.71 3des h GLY 192 CO 0.20 0.00 -0.47 -0.19 0.00 0.00 0.00 176.54 176.08 3des s TYR 193 N -3.50 3.23 0.63 5.60 2.02 -0.69 -4.80 117.35 119.85 3des s TYR 193 Ca 0.03 -0.10 -0.06 0.00 -0.37 0.00 0.00 57.07 56.57 3des s TYR 193 Cb 0.08 -1.55 0.03 0.00 -0.40 0.00 0.00 41.96 40.12 3des s TYR 193 CO 0.60 0.42 0.94 0.95 -1.57 0.00 0.00 175.55 176.89 3des s THR 194 N -2.09 3.18 0.19 -0.71 -4.23 -1.26 -4.22 115.64 106.50 3des s THR 194 Ca 0.35 -0.08 -0.13 0.00 -1.18 0.00 0.00 61.69 60.65 3des s THR 194 Cb -0.08 -3.30 0.15 0.00 1.34 0.00 0.00 72.50 70.61 3des s THR 194 CO 0.27 -0.31 1.68 1.56 -0.54 0.00 0.00 174.62 177.28 3des h GLN 195 N -0.32 0.11 0.00 3.99 4.20 -1.91 -0.26 115.11 120.92 3des h GLN 195 Ca -0.45 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.23 3des h GLN 195 Cb 1.28 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.03 3des h GLN 195 CO 0.60 0.07 -0.13 0.87 -0.67 0.00 0.00 178.83 179.58 3des h LYS 196 N 0.12 0.00 -0.12 1.46 1.57 -1.97 -2.33 116.57 115.30 3des h LYS 196 Ca 0.27 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.83 3des h LYS 196 Cb 0.41 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.73 3des h LYS 196 CO -0.45 0.13 -0.79 0.93 -0.57 0.00 0.00 179.45 178.70 3des h GLU 197 N 0.00 0.68 -0.82 3.15 5.08 -1.77 -1.53 114.58 119.36 3des h GLU 197 Ca -0.00 -0.57 -0.02 0.00 -1.00 0.00 0.00 59.36 57.77 3des h GLU 197 Cb 0.99 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 3des h GLU 197 CO 0.02 1.18 0.42 0.00 -1.00 0.00 0.00 179.01 179.63 3des h ALA 198 N 0.65 1.20 -0.22 3.43 0.00 -0.92 -0.17 119.26 123.23 3des h ALA 198 Ca -0.05 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3des h ALA 198 Cb 1.41 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3des h ALA 198 CO 0.16 0.63 -0.34 0.28 0.00 0.00 0.00 179.25 179.97 3des h VAL 199 N 1.15 1.32 -0.53 0.00 2.07 -1.34 -2.85 116.25 116.08 3des h VAL 199 Ca 0.29 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 3des h VAL 199 Cb 0.07 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3des h VAL 199 CO -0.04 0.48 0.30 -0.08 0.02 0.00 0.00 177.57 178.25 3des h GLU 200 N 0.32 0.73 -0.19 1.57 4.57 -0.94 -0.76 114.58 119.88 3des h GLU 200 Ca 0.02 -0.08 0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3des h GLU 200 Cb 0.93 -0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 29.31 3des h GLU 200 CO 0.08 0.56 -0.16 0.35 -1.18 0.00 0.00 179.01 178.65 3des h PHE 201 N 0.71 -0.42 -0.32 0.92 3.57 -1.04 0.16 116.94 120.52 3des h PHE 201 Ca 0.19 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.73 3des h PHE 201 Cb 0.03 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3des h PHE 201 CO -0.02 -0.24 0.20 0.00 -2.23 0.00 0.00 178.31 176.02 3des h ALA 202 N 0.92 0.41 -0.43 2.41 0.00 -1.22 -1.73 119.26 119.61 3des h ALA 202 Ca 0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3des h ALA 202 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3des h ALA 202 CO -0.29 -0.16 0.03 0.00 0.00 0.00 0.00 179.25 178.82 3des h ARG 203 N 0.40 0.68 -0.03 0.00 3.08 -0.82 -0.03 114.38 117.66 3des h ARG 203 Ca 0.12 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3des h ARG 203 Cb -0.01 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 3des h ARG 203 CO -0.05 0.68 0.00 0.00 -1.07 0.00 0.00 179.97 179.53 3des h ALA 204 N 1.38 0.04 -0.65 0.04 0.00 -0.66 0.34 119.26 119.75 3des h ALA 204 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3des h ALA 204 Cb 0.37 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3des h ALA 204 CO 0.01 -0.32 0.31 0.28 0.00 0.00 0.00 179.25 179.53 3des h VAL 205 N -0.22 1.21 -0.24 0.00 2.07 -1.16 -2.65 116.25 115.27 3des h VAL 205 Ca 0.01 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 3des h VAL 205 Cb 0.28 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3des h VAL 205 CO 0.00 0.25 0.07 0.22 0.02 0.00 0.00 177.57 178.14 3des h TYR 206 N 0.92 0.38 -0.42 1.57 3.20 -0.77 -2.57 116.97 119.28 3des h TYR 206 Ca 0.23 -0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.16 3des h TYR 206 Cb 0.11 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 3des h TYR 206 CO 0.01 0.44 0.30 1.96 -1.64 0.00 0.00 178.16 179.23 3des h GLN 207 N 0.21 0.10 -0.33 1.82 1.08 -0.58 0.24 115.11 117.66 3des h GLN 207 Ca 0.08 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3des h GLN 207 Cb 0.24 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3des h GLN 207 CO -0.00 0.06 0.00 1.63 -0.95 0.00 0.00 178.83 179.57 3des n LYS 208 N -4.44 1.24 -1.20 1.46 4.01 -1.06 -4.86 118.16 113.32 3des n LYS 208 Ca 0.07 -0.29 -0.07 0.00 -0.51 0.00 0.00 58.31 57.51 3des n LYS 208 Cb 0.43 -1.21 -0.03 0.00 -0.51 0.00 0.00 35.03 33.71 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 0.46 0.85 3.87 0.72 0.00 0.86 -5.01 105.19 106.94 3des n GLY 209 Ca 0.03 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.06 4.96 -0.07 -0.61 1.01 -0.99 -5.04 121.20 118.40 3des s ILE 210 Ca 0.00 0.51 0.05 0.00 0.00 0.00 0.00 60.65 61.22 3des s ILE 210 Cb 0.00 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 3des s ILE 210 CO 0.00 0.07 -0.23 -0.62 0.00 0.00 0.00 174.94 174.16 3des s ASP 211 N -2.11 3.20 -0.22 3.58 2.15 -1.26 -4.23 116.67 117.78 3des s ASP 211 Ca 0.42 -0.48 -0.05 0.00 0.43 0.00 0.00 52.55 52.87 3des s ASP 211 Cb -0.13 -0.96 -0.01 0.00 -0.30 0.00 0.00 42.92 41.52 3des s ASP 211 CO 0.21 0.24 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.80 3des s ILE 212 N -0.11 3.62 0.07 4.11 1.01 -1.26 -4.33 121.20 124.31 3des s ILE 212 Ca -0.05 -0.41 -0.23 0.00 0.00 0.00 0.00 60.65 59.97 3des s ILE 212 Cb -0.14 -2.66 -0.14 0.00 0.01 0.00 0.00 42.46 39.53 3des s ILE 212 CO 0.04 0.41 1.59 0.00 0.00 0.00 0.00 174.94 176.98 3des h ALA 213 N 8.08 0.10 -3.44 9.38 0.00 -0.76 -3.39 119.26 129.22 3des h ALA 213 Ca -0.40 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.16 3des h ALA 213 Cb 1.17 -0.03 -0.31 0.00 0.00 0.00 0.00 17.79 18.62 3des h ALA 213 CO 0.60 -0.31 -0.65 0.08 0.00 0.00 0.00 179.25 178.96 3des s VAL 214 N -5.51 -0.03 -0.44 0.00 1.01 -1.24 -4.33 120.40 109.87 3des s VAL 214 Ca -0.14 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 3des s VAL 214 Cb 0.05 -0.14 0.12 0.00 0.00 0.00 0.00 36.38 36.41 3des s VAL 214 CO 0.68 0.05 0.24 -0.47 0.00 0.00 0.00 175.10 175.61 3des s TYR 215 N 0.74 3.56 0.19 5.22 5.04 0.43 -1.25 117.35 131.29 3des s TYR 215 Ca -0.06 -2.40 -0.30 0.00 -2.44 0.00 0.00 57.07 51.88 3des s TYR 215 Cb -0.08 -3.25 -0.08 0.00 0.35 0.00 0.00 41.96 38.90 3des s TYR 215 CO -0.03 -0.96 1.01 -1.21 -1.34 0.00 0.00 175.55 173.02 3des s GLU 216 N 1.04 4.71 0.00 4.97 2.02 0.12 -0.63 118.70 130.93 3des s GLU 216 Ca 0.09 1.59 0.00 0.00 0.02 0.00 0.00 54.97 56.67 3des s GLU 216 Cb -0.23 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.71 3des s GLU 216 CO -0.04 0.27 0.00 0.94 0.02 0.00 0.00 175.26 176.45 3des n GLN 217 N 2.05 0.00 0.25 1.61 -0.06 -0.12 -2.51 117.38 118.60 3des n GLN 217 Ca 0.01 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.13 3des n GLN 217 Cb 0.47 0.00 0.66 0.00 -4.06 0.00 0.00 30.24 27.31 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 0.89 0.00 -5.21 3.69 0.13 -1.82 0.99 132.00 130.68 3des h PRO 218 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 3des h PRO 218 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 3des h PRO 218 CO 0.00 0.15 -0.52 0.14 -0.23 0.00 0.00 178.00 177.53 3des s VAL 219 N -4.02 1.12 0.57 1.56 -7.23 -1.26 -1.70 120.40 109.44 3des s VAL 219 Ca -0.02 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 57.96 3des s VAL 219 Cb 0.12 -2.27 -0.06 0.00 0.56 0.00 0.00 36.38 34.74 3des s VAL 219 CO 0.60 0.00 0.95 0.54 -0.31 0.00 0.00 175.10 176.87 3des n ARG 220 N -1.17 0.97 0.08 4.82 1.74 -1.25 -4.12 116.66 117.72 3des n ARG 220 Ca -0.16 0.37 0.07 0.00 -0.77 0.00 0.00 57.85 57.37 3des n ARG 220 Cb 0.67 -2.13 0.52 0.00 -1.02 0.00 0.00 32.46 30.50 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 0.67 0.30 0.00 5.56 0.11 -1.92 -2.18 114.38 116.92 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 1.36 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3des h ARG 221 CO 0.52 0.20 -0.32 0.39 0.10 0.00 0.00 179.97 180.86 3des n GLU 222 N -4.49 0.10 -1.94 0.08 -0.58 -1.26 -4.51 120.64 108.03 3des n GLU 222 Ca 0.02 0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.39 3des n GLU 222 Cb 0.14 -1.58 -0.00 0.00 -0.57 0.00 0.00 31.44 29.43 3des n GLU 222 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3des n ASP 223 N -1.73 4.80 -0.23 1.62 2.03 -0.82 -4.72 116.55 117.50 3des n ASP 223 Ca 0.05 -2.94 -0.06 0.00 0.52 0.00 0.00 54.79 52.36 3des n ASP 223 Cb 0.37 -1.57 0.04 0.00 -0.72 0.00 0.00 41.12 39.24 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 3.78 1.20 -0.16 5.18 1.08 -1.83 -0.94 117.51 125.83 3des h ILE 224 Ca 0.53 -0.50 -0.03 0.00 -0.39 0.00 0.00 64.86 64.47 3des h ILE 224 Cb 0.60 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 3des h ILE 224 CO 1.77 0.22 -0.02 -0.33 -0.69 0.00 0.00 178.15 179.09 3des h GLU 225 N 0.89 0.23 -0.40 2.37 5.08 -1.98 -1.80 114.58 118.96 3des h GLU 225 Ca 0.23 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3des h GLU 225 Cb 0.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3des h GLU 225 CO -0.04 0.27 0.05 0.78 -1.00 0.00 0.00 179.01 179.07 3des h GLY 226 N 0.52 0.73 1.00 -3.84 0.00 -1.58 -0.09 103.07 99.81 3des h GLY 226 Ca 0.05 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 3des h GLY 226 CO 0.01 0.46 0.38 1.41 0.00 0.00 0.00 176.54 178.80 3des h LEU 227 N 0.52 0.75 -0.72 3.11 3.38 -0.62 -1.52 115.31 120.21 3des h LEU 227 Ca 0.12 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3des h LEU 227 Cb 0.39 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3des h LEU 227 CO 0.01 0.59 0.37 0.50 0.09 0.00 0.00 178.44 179.99 3des h LYS 228 N 0.85 1.03 -0.60 1.13 3.64 -1.12 -0.61 116.57 120.90 3des h LYS 228 Ca 0.23 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3des h LYS 228 Cb -0.03 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 3des h LYS 228 CO -0.04 0.80 0.32 0.35 -2.27 0.00 0.00 179.45 178.60 3des h PHE 229 N 1.01 0.83 -0.51 1.91 3.57 -0.47 -0.39 116.94 122.88 3des h PHE 229 Ca 0.25 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 3des h PHE 229 Cb 0.09 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3des h PHE 229 CO 0.00 0.61 0.09 0.28 -2.23 0.00 0.00 178.31 177.06 3des h VAL 230 N 0.81 1.25 -0.58 1.41 2.07 -0.95 -2.32 116.25 117.94 3des h VAL 230 Ca 0.21 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.82 3des h VAL 230 Cb 0.06 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3des h VAL 230 CO -0.03 0.33 0.36 -0.09 0.02 0.00 0.00 177.57 178.16 3des h ARG 231 N 0.72 0.69 0.00 1.57 2.43 -0.63 0.18 114.38 119.34 3des h ARG 231 Ca 0.16 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3des h ARG 231 Cb 0.39 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3des h ARG 231 CO 0.01 0.46 0.00 1.19 -1.51 0.00 0.00 179.97 180.12 3des n PHE 232 N -4.74 0.01 -0.19 2.20 3.01 -0.20 -3.74 117.46 113.82 3des n PHE 232 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 3des n PHE 232 Cb 0.07 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 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 -1.51 0.00 -4.93 1.38 8.25 -0.88 -5.02 115.22 112.51 3des n HIS 233 Ca 0.07 -0.29 -0.29 0.00 -0.26 0.00 0.00 57.72 56.94 3des n HIS 233 Cb 0.33 -0.03 -0.15 0.00 1.12 0.00 0.00 29.99 31.26 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 -0.59 3.02 0.01 0.41 0.15 0.02 -4.95 113.70 111.78 3des s SER 234 Ca 0.00 -0.56 0.29 0.00 0.70 0.00 0.00 55.95 56.38 3des s SER 234 Cb 0.00 -0.28 1.18 0.00 -1.71 0.00 0.00 66.02 65.21 3des s SER 234 CO 0.00 0.25 1.90 -0.81 1.20 0.00 0.00 173.24 175.78 3des n PRO 235 N 1.90 0.02 -4.00 5.44 -0.04 -1.26 -4.84 135.00 132.21 3des n PRO 235 Ca -0.17 0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.01 3des n PRO 235 Cb 0.52 -1.52 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 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 -3.01 3.32 0.18 0.54 0.08 -1.26 -5.05 117.98 112.78 3des s PHE 236 Ca 0.14 0.13 -0.32 0.00 0.12 0.00 0.00 56.93 56.99 3des s PHE 236 Cb 0.18 -1.66 -0.12 0.00 -0.57 0.00 0.00 43.02 40.86 3des s PHE 236 CO 0.54 0.54 1.77 -2.30 -0.10 0.00 0.00 175.22 175.67 3des n PRO 237 N 0.21 2.78 -3.86 0.24 -0.02 -1.26 -4.85 135.00 128.24 3des n PRO 237 Ca -0.07 1.01 -0.36 0.00 -2.02 0.00 0.00 63.50 62.05 3des n PRO 237 Cb 0.52 -2.87 -0.07 0.00 -0.02 0.00 0.00 33.50 31.06 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 1.77 5.40 0.18 -1.45 1.01 -1.26 -0.43 120.40 125.63 3des s VAL 238 Ca 0.78 0.17 0.10 0.00 0.00 0.00 0.00 61.98 63.03 3des s VAL 238 Cb -0.50 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3des s VAL 238 CO 0.34 0.56 -0.18 0.00 0.00 0.00 0.00 175.10 175.82 3des s ALA 239 N -0.52 2.71 -0.11 5.51 0.00 0.20 -0.95 121.76 128.58 3des s ALA 239 Ca 0.12 -1.55 -0.02 0.00 0.00 0.00 0.00 51.96 50.51 3des s ALA 239 Cb -0.12 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 3des s ALA 239 CO 0.02 0.46 -0.02 0.00 0.00 0.00 0.00 175.76 176.22 3des s ALA 240 N -1.64 3.14 0.00 0.00 0.00 -0.34 -0.95 121.76 121.98 3des s ALA 240 Ca 0.22 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.36 3des s ALA 240 Cb -0.08 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.54 3des s ALA 240 CO 0.12 0.42 0.00 -3.47 0.00 0.00 0.00 175.76 172.83 3des n ASP 241 N 2.75 0.00 0.27 0.00 -0.08 -1.26 -0.28 116.55 117.96 3des n ASP 241 Ca -0.18 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.25 3des n ASP 241 Cb 0.53 0.00 0.88 0.00 2.34 0.00 0.00 41.12 44.87 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 -1.94 0.06 114.58 115.10 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 0.00 0.77 -1.40 0.00 0.00 179.01 178.38 3des h SER 243 N 0.00 0.00 -3.74 1.42 0.02 -1.88 -3.40 113.55 105.97 3des h SER 243 Ca 0.02 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.27 3des h SER 243 Cb 0.12 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 62.31 3des h SER 243 CO -0.00 0.00 -0.22 0.00 -1.14 0.00 0.00 176.83 175.47 3des s ALA 244 N -3.22 3.93 -0.23 3.77 0.00 0.01 -4.83 121.76 121.19 3des s ALA 244 Ca 0.07 -3.56 0.00 0.00 0.00 0.00 0.00 51.96 48.48 3des s ALA 244 Cb 0.07 -2.78 -0.15 0.00 0.00 0.00 0.00 23.12 20.27 3des s ALA 244 CO 0.64 -2.14 -0.21 0.54 0.00 0.00 0.00 175.76 174.58 3des n ARG 245 N 2.92 0.57 -4.17 0.00 1.74 -1.26 -4.85 116.66 111.60 3des n ARG 245 Ca 0.15 0.14 -0.25 0.00 -0.77 0.00 0.00 57.85 57.13 3des n ARG 245 Cb 0.38 -1.45 -0.07 0.00 -1.02 0.00 0.00 32.46 30.29 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 -2.46 2.44 0.40 0.55 -4.23 -1.26 -3.44 115.64 107.64 3des s THR 246 Ca -0.31 -1.75 0.17 0.00 -1.18 0.00 0.00 61.69 58.62 3des s THR 246 Cb 0.08 -2.96 0.17 0.00 1.34 0.00 0.00 72.50 71.13 3des s THR 246 CO 0.52 -0.06 1.94 0.07 -0.54 0.00 0.00 174.62 176.55 3des h LYS 247 N 1.51 0.00 -0.38 3.99 2.10 -1.95 -2.17 116.57 119.68 3des h LYS 247 Ca -0.43 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.08 3des h LYS 247 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 3des h LYS 247 CO 0.69 0.25 -0.33 0.74 -2.00 0.00 0.00 179.45 178.80 3des h PHE 248 N 0.00 1.06 -0.61 0.07 0.04 -1.97 -1.15 116.94 114.38 3des h PHE 248 Ca -0.00 -0.30 0.03 0.00 2.80 0.00 0.00 57.97 60.50 3des h PHE 248 Cb 0.48 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 3des h PHE 248 CO 0.00 1.11 0.37 -0.44 -0.60 0.00 0.00 178.31 178.75 3des h ASP 249 N 0.70 0.58 -0.52 2.17 3.32 -1.75 -1.88 116.42 119.04 3des h ASP 249 Ca 0.07 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 3des h ASP 249 Cb 0.91 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 3des h ASP 249 CO 0.08 0.40 0.02 0.58 -1.72 0.00 0.00 179.24 178.60 3des h VAL 250 N 0.71 1.26 -0.99 -1.35 2.07 -1.22 -0.19 116.25 116.53 3des h VAL 250 Ca 0.25 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.75 3des h VAL 250 Cb 0.06 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 3des h VAL 250 CO -0.12 0.38 0.65 0.24 0.02 0.00 0.00 177.57 178.74 3des h MET 251 N 0.77 1.23 -0.41 1.57 2.86 -0.86 0.35 114.93 120.44 3des h MET 251 Ca 0.15 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 3des h MET 251 Cb 0.50 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3des h MET 251 CO 0.02 0.82 0.03 -0.09 1.06 0.00 0.00 176.91 178.75 3des h ARG 252 N 1.27 0.69 -0.96 1.72 2.43 -0.99 -0.18 114.38 118.37 3des h ARG 252 Ca 0.39 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3des h ARG 252 Cb -0.03 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 3des h ARG 252 CO -0.12 0.76 0.63 -0.07 -1.51 0.00 0.00 179.97 179.67 3des h LEU 253 N 0.53 1.08 -0.20 3.80 3.38 -0.27 -1.01 115.31 122.63 3des h LEU 253 Ca 0.12 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3des h LEU 253 Cb 0.42 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3des h LEU 253 CO 0.01 0.77 -0.24 0.58 0.09 0.00 0.00 178.44 179.65 3des h VAL 254 N 1.27 1.33 -0.90 1.22 2.07 -0.67 -1.38 116.25 119.18 3des h VAL 254 Ca 0.36 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 3des h VAL 254 Cb -0.10 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 3des h VAL 254 CO -0.09 0.44 0.54 0.11 0.02 0.00 0.00 177.57 178.59 3des h LYS 255 N 0.19 1.23 -0.07 1.57 1.57 -0.77 -1.98 116.57 118.31 3des h LYS 255 Ca 0.03 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3des h LYS 255 Cb 0.81 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3des h LYS 255 CO 0.06 0.86 0.00 0.39 -0.57 0.00 0.00 179.45 180.19 3des n GLU 256 N -4.39 1.48 -4.10 3.15 1.02 -0.41 -4.93 120.64 112.47 3des n GLU 256 Ca 0.10 -0.71 -0.32 0.00 -0.02 0.00 0.00 57.16 56.21 3des n GLU 256 Cb 0.06 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 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 -0.10 -3.53 0.11 3.49 1.02 -0.61 -4.88 120.64 116.14 3des n GLU 257 Ca 0.18 0.41 -0.01 0.00 -0.02 0.00 0.00 57.16 57.71 3des n GLU 257 Cb 0.26 -4.98 0.01 0.00 -0.02 0.00 0.00 31.44 26.71 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 0.90 0.60 -2.29 0.62 0.00 -1.62 -3.46 119.26 114.01 3des h ALA 258 Ca -0.60 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 53.53 3des h ALA 258 Cb 1.38 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 3des h ALA 258 CO 0.72 0.88 -0.66 0.14 0.00 0.00 0.00 179.25 180.33 3des s VAL 259 N -2.98 0.19 -0.06 0.00 -7.23 -1.26 -2.89 120.40 106.17 3des s VAL 259 Ca 0.02 -1.81 0.14 0.00 -1.81 0.00 0.00 61.98 58.51 3des s VAL 259 Cb 0.09 -1.62 -0.21 0.00 0.56 0.00 0.00 36.38 35.20 3des s VAL 259 CO 0.77 -0.88 0.67 0.47 -0.31 0.00 0.00 175.10 175.82 3des n ASP 260 N 0.06 0.83 -4.17 4.85 8.00 -0.13 -4.88 116.55 121.11 3des n ASP 260 Ca -0.12 0.39 -0.11 0.00 0.71 0.00 0.00 54.79 55.66 3des n ASP 260 Cb 0.62 0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.64 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 -2.66 0.93 -0.05 1.24 1.51 -0.35 -1.71 117.35 116.27 3des s TYR 261 Ca -0.04 -0.86 0.02 0.00 -1.01 0.00 0.00 57.07 55.17 3des s TYR 261 Cb 0.08 -0.53 0.01 0.00 -0.11 0.00 0.00 41.96 41.42 3des s TYR 261 CO 0.82 -0.11 -0.09 0.08 -1.11 0.00 0.00 175.55 175.14 3des s VAL 262 N -3.43 0.82 -0.58 0.71 1.01 -0.92 -1.20 120.40 116.82 3des s VAL 262 Ca 0.11 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.57 3des s VAL 262 Cb 0.04 -0.77 0.08 0.00 0.00 0.00 0.00 36.38 35.73 3des s VAL 262 CO -0.04 0.28 0.73 0.21 0.00 0.00 0.00 175.10 176.28 3des s ASN 263 N 0.60 6.20 0.12 3.32 3.84 0.62 -2.52 114.94 127.11 3des s ASN 263 Ca -0.10 -1.19 -0.30 0.00 0.21 0.00 0.00 52.86 51.48 3des s ASN 263 Cb -0.13 -2.32 -0.06 0.00 -0.55 0.00 0.00 41.25 38.19 3des s ASN 263 CO 0.02 -1.11 1.00 -0.63 -2.79 0.00 0.00 177.10 173.59 3des s ILE 264 N 2.93 4.36 -0.05 -5.21 1.01 0.19 -4.72 121.20 119.70 3des s ILE 264 Ca 0.15 1.94 -0.00 0.00 0.00 0.00 0.00 60.65 62.74 3des s ILE 264 Cb -0.21 -4.24 0.03 0.00 0.01 0.00 0.00 42.46 38.04 3des s ILE 264 CO 0.09 0.29 -0.01 -0.54 0.00 0.00 0.00 174.94 174.77 3des s LYS 265 N 0.03 0.54 0.37 2.79 1.02 -1.26 -0.78 119.74 122.44 3des s LYS 265 Ca 0.48 0.06 0.06 0.00 0.02 0.00 0.00 55.97 56.59 3des s LYS 265 Cb -0.25 -0.77 0.75 0.00 -0.52 0.00 0.00 37.83 37.04 3des s LYS 265 CO 0.31 -0.20 1.97 -0.07 -0.92 0.00 0.00 175.35 176.44 3des h LEU 266 N 7.74 0.65 -2.35 3.17 3.38 -1.85 0.20 115.31 126.25 3des h LEU 266 Ca -0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3des h LEU 266 Cb 1.13 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3des h LEU 266 CO 0.37 0.43 -0.04 0.24 0.09 0.00 0.00 178.44 179.53 3des h MET 267 N 0.74 0.00 0.08 1.13 2.86 -1.91 0.47 114.93 118.29 3des h MET 267 Ca 0.29 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.58 3des h MET 267 Cb 0.21 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3des h MET 267 CO -0.09 0.04 -2.02 1.63 1.06 0.00 0.00 176.91 177.53 3des n LYS 268 N -3.63 0.70 -0.02 1.72 5.02 -0.08 -2.70 118.16 119.17 3des n LYS 268 Ca -0.02 0.29 0.06 0.00 -2.02 0.00 0.00 58.31 56.61 3des n LYS 268 Cb 0.14 -1.66 -0.12 0.00 -0.02 0.00 0.00 35.03 33.36 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 -3.62 1.49 0.00 4.39 7.64 -0.40 -4.73 113.62 118.38 3des n SER 269 Ca -0.36 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.52 3des n SER 269 Cb 0.97 1.58 0.00 0.00 -1.01 0.00 0.00 64.21 65.75 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 1.70 -1.36 0.17 0.23 0.00 0.16 -3.38 105.19 102.71 3des n GLY 270 Ca -0.06 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 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 1.35 0.20 -0.61 1.08 -1.83 -2.72 117.51 114.98 3des h ILE 271 Ca 0.00 -1.62 0.01 0.00 -0.39 0.00 0.00 64.86 62.86 3des h ILE 271 Cb 0.00 1.97 -0.04 0.00 -3.07 0.00 0.00 36.82 35.68 3des h ILE 271 CO 0.00 0.49 -0.36 0.77 -0.69 0.00 0.00 178.15 178.36 3des h SER 272 N 0.17 -1.02 0.07 1.72 4.64 -1.95 0.55 113.55 117.72 3des h SER 272 Ca 0.00 0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.34 3des h SER 272 Cb 0.96 0.37 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 3des h SER 272 CO 0.08 -0.46 -0.27 0.44 -0.87 0.00 0.00 176.83 175.74 3des h ASP 273 N -0.64 0.33 -0.72 4.97 5.19 -1.68 -2.52 116.42 121.35 3des h ASP 273 Ca 0.01 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 3des h ASP 273 Cb 0.64 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.02 3des h ASP 273 CO -0.16 0.61 0.45 0.00 -3.12 0.00 0.00 179.24 177.01 3des h ALA 274 N 1.42 0.92 -0.64 3.45 0.00 -1.08 0.15 119.26 123.48 3des h ALA 274 Ca 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3des h ALA 274 Cb 0.64 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3des h ALA 274 CO 0.05 0.37 0.22 -0.07 0.00 0.00 0.00 179.25 179.82 3des h LEU 275 N 0.98 0.91 -0.49 0.00 3.38 -0.66 -1.72 115.31 117.71 3des h LEU 275 Ca 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3des h LEU 275 Cb -0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3des h LEU 275 CO -0.05 0.86 0.25 0.00 0.09 0.00 0.00 178.44 179.59 3des h ALA 276 N 1.08 0.63 -0.53 1.53 0.00 -0.96 -2.24 119.26 118.78 3des h ALA 276 Ca 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3des h ALA 276 Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3des h ALA 276 CO -0.01 0.17 0.22 0.82 0.00 0.00 0.00 179.25 180.45 3des h ILE 277 N 0.65 1.19 -0.36 0.00 2.04 -0.44 -0.22 117.51 120.36 3des h ILE 277 Ca 0.17 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3des h ILE 277 Cb 0.09 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3des h ILE 277 CO -0.02 0.23 0.12 0.58 0.00 0.00 0.00 178.15 179.06 3des h VAL 278 N 0.75 1.20 -0.56 1.67 2.07 -0.92 -1.34 116.25 119.12 3des h VAL 278 Ca 0.18 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 3des h VAL 278 Cb 0.13 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3des h VAL 278 CO -0.02 0.23 0.16 -0.33 0.02 0.00 0.00 177.57 177.63 3des h GLU 279 N 0.44 0.88 -0.55 1.57 4.39 -0.83 -1.79 114.58 118.69 3des h GLU 279 Ca 0.12 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 3des h GLU 279 Cb 0.23 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 3des h GLU 279 CO -0.01 0.81 0.33 0.82 -1.16 0.00 0.00 179.01 179.81 3des h ILE 280 N 0.79 1.17 -0.68 3.13 2.04 -0.87 -1.77 117.51 121.31 3des h ILE 280 Ca 0.18 -0.38 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 3des h ILE 280 Cb 0.30 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3des h ILE 280 CO -0.00 0.17 0.11 0.00 0.00 0.00 0.00 178.15 178.43 3des h ALA 281 N 1.16 0.91 0.00 1.87 0.00 -1.09 -2.28 119.26 119.83 3des h ALA 281 Ca 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3des h ALA 281 Cb -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3des h ALA 281 CO -0.04 0.67 0.00 0.93 0.00 0.00 0.00 179.25 180.82 3des h GLU 282 N 1.05 0.00 -0.54 0.00 5.08 -1.08 -2.30 114.58 116.79 3des h GLU 282 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3des h GLU 282 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3des h GLU 282 CO 0.01 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.45 3des n SER 283 N -2.37 3.41 -1.45 1.42 7.64 -0.69 -4.97 113.62 116.60 3des n SER 283 Ca 0.03 -1.98 -0.03 0.00 1.01 0.00 0.00 58.87 57.90 3des n SER 283 Cb 0.30 -0.35 -0.01 0.00 -1.01 0.00 0.00 64.21 63.14 3des n SER 283 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3des n SER 284 N 1.39 -0.27 -0.09 6.43 3.41 -0.87 -5.03 113.62 118.61 3des n SER 284 Ca 0.21 -1.43 0.14 0.00 -0.26 0.00 0.00 58.87 57.53 3des n SER 284 Cb 0.56 0.52 0.76 0.00 -0.26 0.00 0.00 64.21 65.79 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 -0.13 -0.81 3.74 5.00 0.00 -1.26 -4.88 105.19 106.85 3des n GLY 285 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.87 4.46 0.23 0.99 2.96 -1.26 -4.99 118.68 119.22 3des s LEU 286 Ca 0.41 2.30 0.08 0.00 -0.22 0.00 0.00 54.13 56.70 3des s LEU 286 Cb 0.19 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 3des s LEU 286 CO 0.32 -0.36 0.04 -0.54 -1.32 0.00 0.00 176.35 174.49 3des s LYS 287 N -0.60 2.46 0.19 1.98 1.02 -0.69 -4.54 119.74 119.55 3des s LYS 287 Ca 0.51 -1.24 0.08 0.00 0.02 0.00 0.00 55.97 55.34 3des s LYS 287 Cb -0.34 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 3des s LYS 287 CO 0.39 0.40 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.56 3des s LEU 288 N -3.46 2.51 -0.01 3.17 1.43 -1.26 -2.15 118.68 118.90 3des s LEU 288 Ca 0.30 -0.95 -0.05 0.00 -1.03 0.00 0.00 54.13 52.40 3des s LEU 288 Cb -0.08 -0.73 0.00 0.00 0.03 0.00 0.00 46.19 45.41 3des s LEU 288 CO 0.20 -0.11 0.11 0.00 0.23 0.00 0.00 176.35 176.78 3des s MET 289 N -3.28 0.32 -0.10 1.70 0.23 -1.05 -0.96 119.30 116.16 3des s MET 289 Ca 0.19 -0.20 -0.00 0.00 -1.03 0.00 0.00 55.69 54.65 3des s MET 289 Cb -0.03 0.13 -0.03 0.00 -1.53 0.00 0.00 34.83 33.38 3des s MET 289 CO 0.07 -0.07 -0.07 -1.50 -2.03 0.00 0.00 175.02 171.42 3des s ILE 290 N -0.81 3.64 0.00 3.16 2.07 -0.95 -0.64 121.20 127.68 3des s ILE 290 Ca -0.09 -0.48 0.00 0.00 -1.41 0.00 0.00 60.65 58.67 3des s ILE 290 Cb -0.05 -2.52 0.00 0.00 0.13 0.00 0.00 42.46 40.02 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 2.69 6.15 3.62 1.50 0.00 0.04 0.15 105.19 119.35 3des n GLY 291 Ca -0.18 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.81 3des n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3des n MET 293 N -0.41 0.00 -1.85 0.00 2.81 -1.26 -4.98 117.12 111.42 3des n MET 293 Ca -0.02 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.67 3des n MET 293 Cb 0.61 0.00 0.04 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 4.94 6.18 3.75 3.03 0.00 -1.26 -4.74 105.19 117.09 3des n GLY 294 Ca 0.00 -2.48 -0.35 0.00 0.00 0.00 0.00 46.02 43.19 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 -3.55 2.81 0.70 1.61 8.01 -1.26 -4.89 118.70 122.13 3des s GLU 295 Ca 0.49 1.79 0.01 0.00 0.01 0.00 0.00 54.97 57.27 3des s GLU 295 Cb 0.40 -1.91 0.13 0.00 -4.31 0.00 0.00 34.13 28.44 3des s GLU 295 CO 0.02 -1.32 0.97 -1.54 0.01 0.00 0.00 175.26 173.40 3des s SER 296 N -1.74 4.44 0.28 -0.19 1.04 -1.26 -3.07 113.70 113.19 3des s SER 296 Ca 0.76 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 56.70 3des s SER 296 Cb -0.30 0.12 0.64 0.00 0.10 0.00 0.00 66.02 66.58 3des s SER 296 CO 0.36 -1.81 1.69 0.77 0.98 0.00 0.00 173.24 175.23 3des h SER 297 N -0.42 0.21 -0.36 7.02 4.64 -1.94 0.20 113.55 122.89 3des h SER 297 Ca -0.34 0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 3des h SER 297 Cb 1.27 0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.50 3des h SER 297 CO 0.39 -0.02 0.20 0.25 -0.87 0.00 0.00 176.83 176.79 3des h LEU 298 N 0.35 0.47 0.14 5.97 7.12 -1.94 -1.14 115.31 126.28 3des h LEU 298 Ca 0.51 -0.03 -0.26 0.00 0.13 0.00 0.00 57.88 58.23 3des h LEU 298 Cb 0.94 -0.12 0.03 0.00 -0.53 0.00 0.00 40.66 40.98 3des h LEU 298 CO -0.53 0.40 -1.12 1.23 -0.13 0.00 0.00 178.44 178.29 3des h GLY 299 N 0.63 0.58 2.00 3.75 0.00 -1.02 -3.25 103.07 105.76 3des h GLY 299 Ca 0.14 -1.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.15 3des h GLY 299 CO -0.02 1.13 -0.16 1.19 0.00 0.00 0.00 176.54 178.68 3des h ILE 300 N 0.05 1.05 -0.77 2.60 6.09 -0.83 -1.74 117.51 123.96 3des h ILE 300 Ca -0.18 -0.55 0.11 0.00 -1.37 0.00 0.00 64.86 62.87 3des h ILE 300 Cb 1.83 1.30 -0.05 0.00 0.47 0.00 0.00 36.82 40.37 3des h ILE 300 CO 0.21 0.15 0.50 -1.13 -3.07 0.00 0.00 178.15 174.82 3des h ASN 301 N 0.00 0.55 -0.36 2.19 -1.24 -1.25 -0.49 115.58 114.99 3des h ASN 301 Ca -0.00 0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.04 3des h ASN 301 Cb 0.29 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.23 3des h ASN 301 CO 0.02 0.32 0.23 1.56 -1.29 0.00 0.00 177.43 178.26 3des h GLN 302 N 0.61 0.45 0.00 6.67 4.20 -1.44 -1.84 115.11 123.75 3des h GLN 302 Ca 0.36 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.93 3des h GLN 302 Cb 0.59 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3des h GLN 302 CO -0.14 0.30 -0.56 0.77 -0.67 0.00 0.00 178.83 178.53 3des h SER 303 N 0.46 0.00 -0.28 1.46 0.02 -1.37 -2.41 113.55 111.43 3des h SER 303 Ca 0.13 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3des h SER 303 Cb -0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3des h SER 303 CO -0.04 0.56 0.08 0.58 -1.14 0.00 0.00 176.83 176.87 3des h VAL 304 N 0.00 1.21 -0.29 2.27 2.07 -0.67 -0.08 116.25 120.75 3des h VAL 304 Ca -0.01 -0.67 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 3des h VAL 304 Cb 1.10 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3des h VAL 304 CO 0.07 0.22 -0.19 0.45 0.02 0.00 0.00 177.57 178.14 3des h HIS 305 N 0.29 0.58 -0.28 1.57 -0.00 -1.30 0.47 115.15 116.49 3des h HIS 305 Ca 0.09 -0.11 -0.04 0.00 -0.00 0.00 0.00 60.37 60.31 3des h HIS 305 Cb 0.26 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 3des h HIS 305 CO 0.01 0.69 0.00 0.35 -0.00 0.00 0.00 177.93 178.98 3des h PHE 306 N 0.48 0.53 -0.40 2.45 3.57 -1.18 -0.46 116.94 121.92 3des h PHE 306 Ca 0.08 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 3des h PHE 306 Cb 0.60 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3des h PHE 306 CO 0.02 0.63 -0.14 0.00 -2.23 0.00 0.00 178.31 176.59 3des h ALA 307 N 0.83 0.56 -0.39 2.41 0.00 -0.82 -1.38 119.26 120.46 3des h ALA 307 Ca 0.08 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3des h ALA 307 Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3des h ALA 307 CO 0.01 0.46 0.07 -0.07 0.00 0.00 0.00 179.25 179.73 3des h LEU 308 N 0.61 0.62 0.09 0.00 3.38 -0.86 0.20 115.31 119.36 3des h LEU 308 Ca 0.10 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3des h LEU 308 Cb 0.68 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3des h LEU 308 CO 0.05 0.72 -0.05 1.23 0.09 0.00 0.00 178.44 180.48 3des h GLY 309 N 0.50 -0.13 1.96 0.83 0.00 -1.05 0.85 103.07 106.02 3des h GLY 309 Ca 0.12 0.05 -0.22 0.00 0.00 0.00 0.00 47.33 47.28 3des h GLY 309 CO 0.01 -0.05 -1.03 -0.91 0.00 0.00 0.00 176.54 174.56 3des h THR 310 N -0.45 1.69 -2.16 4.70 1.35 -1.31 -0.64 112.91 116.10 3des h THR 310 Ca -0.01 -3.39 -0.34 0.00 -0.55 0.00 0.00 66.41 62.12 3des h THR 310 Cb 0.37 2.85 -0.08 0.00 -1.73 0.00 0.00 68.15 69.56 3des h THR 310 CO 0.02 0.97 -0.36 0.61 -0.25 0.00 0.00 175.52 176.51 3des n GLY 311 N 1.37 0.69 0.09 5.82 0.00 0.72 -4.82 105.19 109.05 3des n GLY 311 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.16 3des n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3des n ALA 312 N -0.40 2.66 -2.71 4.61 0.00 -1.26 -4.92 120.51 118.49 3des n ALA 312 Ca -0.18 -0.24 -0.35 0.00 0.00 0.00 0.00 53.44 52.67 3des n ALA 312 Cb 0.59 -1.42 -0.09 0.00 0.00 0.00 0.00 19.45 18.53 3des n ALA 312 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3des s PHE 313 N -2.24 3.21 0.06 0.00 0.08 -1.26 -4.45 117.98 113.39 3des s PHE 313 Ca 0.38 0.23 0.03 0.00 0.12 0.00 0.00 56.93 57.69 3des s PHE 313 Cb 0.21 -1.81 -0.24 0.00 -0.57 0.00 0.00 43.02 40.61 3des s PHE 313 CO 0.41 0.50 1.08 0.93 -0.10 0.00 0.00 175.22 178.04 3des h GLU 314 N 5.16 0.12 -4.20 0.44 4.39 -1.41 -3.47 114.58 115.61 3des h GLU 314 Ca -0.51 -0.20 -0.19 0.00 0.34 0.00 0.00 59.36 58.80 3des h GLU 314 Cb 1.20 0.08 -0.20 0.00 -0.10 0.00 0.00 28.75 29.73 3des h GLU 314 CO 0.55 1.02 -0.70 -0.06 -1.16 0.00 0.00 179.01 178.65 3des s PHE 315 N -2.66 0.44 -0.11 4.33 0.08 -1.25 -5.06 117.98 113.75 3des s PHE 315 Ca -0.03 -0.65 0.01 0.00 0.12 0.00 0.00 56.93 56.38 3des s PHE 315 Cb 0.08 -0.29 0.02 0.00 -0.57 0.00 0.00 43.02 42.26 3des s PHE 315 CO 0.84 -0.20 -0.12 -1.01 -0.10 0.00 0.00 175.22 174.64 3des s HIS 316 N -2.04 1.73 -0.78 0.36 3.76 -1.25 -2.23 115.29 114.84 3des s HIS 316 Ca -0.09 -0.85 0.02 0.00 -0.15 0.00 0.00 55.06 54.00 3des s HIS 316 Cb -0.06 -1.32 0.24 0.00 1.11 0.00 0.00 32.58 32.55 3des s HIS 316 CO -0.03 -0.49 0.86 -3.47 -0.85 0.00 0.00 174.74 170.76 3des n ASP 317 N 4.53 4.26 -3.41 1.40 2.03 0.12 -1.34 116.55 124.15 3des n ASP 317 Ca -0.17 -3.35 -0.29 0.00 0.52 0.00 0.00 54.79 51.51 3des n ASP 317 Cb 0.51 -0.87 -0.07 0.00 -0.72 0.00 0.00 41.12 39.97 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 1.37 4.16 -0.05 -2.67 4.77 -1.26 -2.77 117.00 120.55 3des n LEU 318 Ca 0.26 -5.46 0.01 0.00 -0.03 0.00 0.00 56.01 50.79 3des n LEU 318 Cb 0.38 -0.71 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 3des n LEU 318 CO 0.44 2.07 0.36 -0.90 -1.33 0.00 0.00 177.39 178.04 3des n ASP 319 N 0.71 1.49 -0.29 -1.43 5.75 -1.26 -4.77 116.55 116.75 3des n ASP 319 Ca 0.30 -1.42 -0.00 0.00 -0.01 0.00 0.00 54.79 53.66 3des n ASP 319 Cb 0.40 -0.01 0.12 0.00 -1.03 0.00 0.00 41.12 40.60 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 0.21 0.77 0.49 -1.12 4.64 -1.85 -0.29 113.55 116.40 3des h SER 320 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3des h SER 320 Cb 0.23 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3des h SER 320 CO 0.00 0.50 0.00 1.12 -0.87 0.00 0.00 176.83 177.58 3des h HIS 321 N 0.90 0.00 0.00 4.77 2.07 -1.83 -0.14 115.15 120.92 3des h HIS 321 Ca 0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.87 3des h HIS 321 Cb 0.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.13 3des h HIS 321 CO -0.04 0.00 -0.49 -0.07 -3.07 0.00 0.00 177.93 174.26 3des h LEU 322 N 0.00 0.00 0.00 6.12 3.38 -1.40 -3.28 115.31 120.13 3des h LEU 322 Ca 0.00 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 3des h LEU 322 Cb 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3des h LEU 322 CO 0.00 0.03 -1.18 0.24 0.09 0.00 0.00 178.44 177.62 3des h MET 323 N 0.00 0.00 -6.80 1.13 2.86 -0.56 -3.47 114.93 108.09 3des h MET 323 Ca 0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 3des h MET 323 Cb 0.90 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.58 3des h MET 323 CO 0.00 0.52 0.03 -0.51 1.06 0.00 0.00 176.91 178.00 3des s LEU 324 N -6.18 3.77 -0.66 1.22 1.43 -0.85 -1.38 118.68 116.03 3des s LEU 324 Ca -0.01 0.83 -0.27 0.00 -1.03 0.00 0.00 54.13 53.66 3des s LEU 324 Cb 0.09 -3.75 0.03 0.00 0.03 0.00 0.00 46.19 42.59 3des s LEU 324 CO 0.80 -0.46 1.18 -0.54 0.23 0.00 0.00 176.35 177.56 3des s LYS 325 N -4.43 3.31 -0.05 1.70 1.02 0.21 -4.73 119.74 116.77 3des s LYS 325 Ca 0.46 -0.12 -0.02 0.00 0.02 0.00 0.00 55.97 56.31 3des s LYS 325 Cb -0.10 -4.11 0.04 0.00 -0.52 0.00 0.00 37.83 33.13 3des s LYS 325 CO 0.40 -1.88 0.09 -2.00 -0.92 0.00 0.00 175.35 171.04 3des s GLU 326 N 5.12 -0.02 0.00 1.68 2.12 -1.26 -4.61 118.70 121.72 3des s GLU 326 Ca 0.36 0.39 0.00 0.00 0.36 0.00 0.00 54.97 56.08 3des s GLU 326 Cb -0.09 -0.36 0.00 0.00 0.26 0.00 0.00 34.13 33.94 3des s GLU 326 CO 0.19 -0.27 0.00 0.39 -0.54 0.00 0.00 175.26 175.02 3des n GLU 327 N 4.96 0.00 -1.57 4.30 4.71 -1.26 -4.85 120.64 126.93 3des n GLU 327 Ca -0.11 0.01 -0.44 0.00 -0.01 0.00 0.00 57.16 56.61 3des n GLU 327 Cb 0.50 -0.26 -0.04 0.00 -1.01 0.00 0.00 31.44 30.63 3des n GLU 327 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 3des n VAL 328 N -1.05 0.28 -2.21 2.62 3.14 -1.26 -4.92 118.33 114.92 3des n VAL 328 Ca 0.00 -0.46 -0.42 0.00 -2.96 0.00 0.00 64.34 60.50 3des n VAL 328 Cb 0.00 -2.42 -0.03 0.00 -1.06 0.00 0.00 33.84 30.33 3des n VAL 328 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 3des s PHE 329 N 8.50 3.08 -0.18 1.45 5.36 -1.26 -4.95 117.98 129.98 3des s PHE 329 Ca 1.03 0.92 0.16 0.00 -0.96 0.00 0.00 56.93 58.07 3des s PHE 329 Cb -0.42 -3.65 0.33 0.00 -0.34 0.00 0.00 43.02 38.94 3des s PHE 329 CO 0.37 -2.33 1.22 0.54 -1.46 0.00 0.00 175.22 173.56 3des n ARG 330 N 4.59 2.04 -3.91 10.12 1.74 -1.26 -5.04 116.66 124.94 3des n ARG 330 Ca 0.12 -2.52 -0.32 0.00 -0.77 0.00 0.00 57.85 54.36 3des n ARG 330 Cb 0.43 -1.54 -0.04 0.00 -1.02 0.00 0.00 32.46 30.29 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 -2.30 2.19 -0.06 -0.13 0.00 -1.26 -4.21 107.32 101.55 3des s GLY 331 Ca 0.31 -0.81 -0.05 0.00 0.00 0.00 0.00 44.72 44.17 3des s GLY 331 CO 0.05 -0.77 3.32 0.28 0.00 0.00 0.00 173.10 175.98 3des n LYS 332 N 0.46 1.93 -3.99 2.90 5.02 -1.26 -4.78 118.16 118.43 3des n LYS 332 Ca -0.06 -1.05 -0.10 0.00 -2.02 0.00 0.00 58.31 55.08 3des n LYS 332 Cb 0.51 -1.89 -0.07 0.00 -0.02 0.00 0.00 35.03 33.56 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 0.53 0.46 -0.05 2.13 -0.12 -1.26 -4.28 117.98 115.39 3des s PHE 333 Ca 0.58 -0.81 0.03 0.00 -0.05 0.00 0.00 56.93 56.69 3des s PHE 333 Cb 0.29 -0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.63 3des s PHE 333 CO -0.03 -0.80 -0.14 0.42 -0.05 0.00 0.00 175.22 174.62 3des s ILE 334 N -4.00 3.06 -0.04 -4.49 1.01 0.66 -4.89 121.20 112.51 3des s ILE 334 Ca 0.21 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.17 3des s ILE 334 Cb 0.02 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.30 3des s ILE 334 CO 0.04 0.59 -0.11 -1.58 0.00 0.00 0.00 174.94 173.88 3des s GLN 335 N -0.67 1.26 -0.42 2.79 0.74 -1.26 -1.15 119.66 120.95 3des s GLN 335 Ca 0.10 -0.38 0.02 0.00 0.05 0.00 0.00 55.36 55.15 3des s GLN 335 Cb -0.11 -1.13 0.14 0.00 1.10 0.00 0.00 33.01 33.02 3des s GLN 335 CO 0.01 0.12 0.26 0.34 -0.55 0.00 0.00 175.29 175.47 3des s ASP 336 N 0.26 3.12 1.59 6.67 3.68 -0.59 -5.03 116.67 126.37 3des s ASP 336 Ca -0.05 -2.62 0.00 0.00 2.13 0.00 0.00 52.55 52.01 3des s ASP 336 Cb -0.11 -0.75 0.00 0.00 -1.45 0.00 0.00 42.92 40.61 3des s ASP 336 CO 0.01 -0.26 0.00 0.61 0.13 0.00 0.00 175.17 175.67 3des n GLY 337 N 3.51 2.39 0.22 2.66 0.00 -1.26 -2.26 105.19 110.45 3des n GLY 337 Ca 0.14 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.95 3des n GLY 337 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3des h PRO 338 N 0.00 0.00 -6.87 1.61 0.13 -1.86 -3.45 132.00 121.55 3des h PRO 338 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 3des h PRO 338 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 3des h PRO 338 CO 0.00 0.20 0.49 1.03 -0.23 0.00 0.00 178.00 179.49 3des s ARG 339 N -3.54 4.39 -0.02 0.86 0.52 -0.96 -1.12 118.95 119.08 3des s ARG 339 Ca 0.02 1.80 -0.00 0.00 -0.52 0.00 0.00 55.73 57.03 3des s ARG 339 Cb 0.09 -2.95 0.03 0.00 0.52 0.00 0.00 34.95 32.64 3des s ARG 339 CO 0.64 -0.01 0.03 -1.64 0.02 0.00 0.00 175.30 174.34 3des s MET 340 N -1.86 -0.01 0.33 3.54 -1.94 -0.06 -1.54 119.30 117.76 3des s MET 340 Ca 0.50 0.20 0.04 0.00 -1.71 0.00 0.00 55.69 54.72 3des s MET 340 Cb -0.31 -0.31 -0.03 0.00 2.01 0.00 0.00 34.83 36.19 3des s MET 340 CO 0.39 -0.19 0.16 1.03 -0.01 0.00 0.00 175.02 176.41 3des s ARG 341 N 1.23 1.70 0.27 2.03 0.52 -0.30 -1.63 118.95 122.77 3des s ARG 341 Ca -0.07 -1.99 0.07 0.00 -0.52 0.00 0.00 55.73 53.22 3des s ARG 341 Cb -0.13 -0.21 -0.03 0.00 0.52 0.00 0.00 34.95 35.10 3des s ARG 341 CO -0.03 -0.47 0.24 0.54 0.02 0.00 0.00 175.30 175.60 3des s VAL 342 N -3.47 4.34 -0.75 3.52 0.11 -1.26 -0.24 120.40 122.65 3des s VAL 342 Ca 0.33 -1.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.04 3des s VAL 342 Cb 0.04 -3.41 0.00 0.00 -1.53 0.00 0.00 36.38 31.48 3des s VAL 342 CO 0.18 -0.31 0.19 0.29 -3.33 0.00 0.00 175.10 172.12