#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6t s ILE 7 N 0.00 5.10 -0.37 -0.39 -5.25 -1.26 -1.23 121.20 117.79 3i6t s ILE 7 Ca 0.00 -0.82 -0.27 0.00 -0.99 0.00 0.00 60.65 58.57 3i6t s ILE 7 Cb 0.00 -3.64 0.02 0.00 2.95 0.00 0.00 42.46 41.79 3i6t s ILE 7 CO 0.00 -0.12 0.99 -0.63 -1.79 0.00 0.00 174.94 173.39 3i6t s ILE 8 N -1.77 4.52 -0.11 8.37 1.01 -0.07 -0.53 121.20 132.62 3i6t s ILE 8 Ca 0.34 1.31 0.21 0.00 0.00 0.00 0.00 60.65 62.51 3i6t s ILE 8 Cb -0.11 -4.39 -0.32 0.00 0.01 0.00 0.00 42.46 37.65 3i6t s ILE 8 CO 0.27 -0.59 0.50 0.00 0.00 0.00 0.00 174.94 175.12 3i6t n ALA 9 N 6.94 2.94 -2.81 9.38 0.00 0.18 -0.80 120.51 136.34 3i6t n ALA 9 Ca 0.09 -0.51 -0.09 0.00 0.00 0.00 0.00 53.44 52.92 3i6t n ALA 9 Cb 0.48 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 19.10 3i6t n ALA 9 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i6t s GLY 10 N -4.33 0.21 -0.24 0.00 0.00 -0.41 -4.94 107.32 97.61 3i6t s GLY 10 Ca -0.07 -0.56 -0.03 0.00 0.00 0.00 0.00 44.72 44.07 3i6t s GLY 10 CO 0.88 -0.67 0.31 -0.12 0.00 0.00 0.00 173.10 173.50 3i6t s PHE 11 N -2.14 -0.60 -0.01 1.90 5.36 -1.26 -1.00 117.98 120.24 3i6t s PHE 11 Ca -0.09 0.45 0.04 0.00 -0.96 0.00 0.00 56.93 56.37 3i6t s PHE 11 Cb -0.04 -0.19 -0.01 0.00 -0.34 0.00 0.00 43.02 42.44 3i6t s PHE 11 CO -0.03 -0.72 -0.14 0.99 -1.46 0.00 0.00 175.22 173.86 3i6t s THR 12 N 2.44 1.08 0.01 0.12 2.01 -0.18 -4.99 115.64 116.15 3i6t s THR 12 Ca 0.10 -0.58 0.07 0.00 0.31 0.00 0.00 61.69 61.59 3i6t s THR 12 Cb -0.15 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 3i6t s THR 12 CO -0.18 0.31 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.07 3i6t s LEU 13 N -0.27 2.11 -0.07 4.42 1.43 -1.26 -0.09 118.68 124.94 3i6t s LEU 13 Ca 0.04 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 3i6t s LEU 13 Cb -0.06 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 45.04 3i6t s LEU 13 CO -0.00 0.24 -0.18 0.26 0.23 0.00 0.00 176.35 176.90 3i6t s TRP 14 N -0.66 1.92 -0.39 0.29 0.51 -0.55 -4.98 118.94 115.08 3i6t s TRP 14 Ca 0.09 -0.70 -0.17 0.00 -2.12 0.00 0.00 56.10 53.21 3i6t s TRP 14 Cb -0.09 -1.32 0.01 0.00 -0.81 0.00 0.00 33.47 31.26 3i6t s TRP 14 CO 0.01 -0.29 0.42 -1.58 -0.51 0.00 0.00 176.95 174.99 3i6t s HIS 15 N 0.36 3.18 0.11 -1.98 5.65 -1.26 -0.83 115.29 120.52 3i6t s HIS 15 Ca -0.13 -0.19 0.04 0.00 0.25 0.00 0.00 55.06 55.03 3i6t s HIS 15 Cb -0.15 -2.82 -0.04 0.00 -1.18 0.00 0.00 32.58 28.39 3i6t s HIS 15 CO 0.05 -0.59 0.07 -0.51 -0.65 0.00 0.00 174.74 173.11 3i6t s LEU 16 N 2.12 3.70 -0.16 8.88 1.43 -0.11 -0.24 118.68 134.31 3i6t s LEU 16 Ca 0.13 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 3i6t s LEU 16 Cb -0.17 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.70 3i6t s LEU 16 CO 0.13 0.14 -0.16 -0.55 0.23 0.00 0.00 176.35 176.15 3i6t s SER 17 N -2.58 2.87 -0.28 2.29 0.15 -0.47 -2.28 113.70 113.41 3i6t s SER 17 Ca 0.29 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.37 3i6t s SER 17 Cb -0.11 -1.27 0.05 0.00 -1.71 0.00 0.00 66.02 62.98 3i6t s SER 17 CO 0.21 -0.05 -0.05 -0.76 1.20 0.00 0.00 173.24 173.80 3i6t s LEU 18 N 1.42 3.67 0.53 3.45 1.43 0.10 -4.81 118.68 124.47 3i6t s LEU 18 Ca 0.04 -1.30 -0.21 0.00 -1.03 0.00 0.00 54.13 51.64 3i6t s LEU 18 Cb -0.13 -1.64 -0.07 0.00 0.03 0.00 0.00 46.19 44.38 3i6t s LEU 18 CO -0.11 -0.22 1.04 -2.65 0.23 0.00 0.00 176.35 174.63 3i6t n PRO 19 N 4.55 1.19 -4.36 1.29 -0.02 -1.26 -1.51 135.00 134.88 3i6t n PRO 19 Ca -0.14 0.44 -0.19 0.00 -2.02 0.00 0.00 63.50 61.60 3i6t n PRO 19 Cb 0.43 -2.19 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 3i6t n PRO 19 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i6t s VAL 20 N -1.41 1.50 -0.03 -1.45 -7.23 -1.26 -1.70 120.40 108.83 3i6t s VAL 20 Ca 0.71 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 3i6t s VAL 20 Cb -0.46 -2.21 0.04 0.00 0.56 0.00 0.00 36.38 34.32 3i6t s VAL 20 CO 0.51 -0.47 1.09 0.35 -0.31 0.00 0.00 175.10 176.27 3i6t n THR 21 N -0.43 1.18 -4.55 5.32 -2.24 -0.19 -4.78 114.28 108.58 3i6t n THR 21 Ca -0.07 -0.14 -0.31 0.00 -2.27 0.00 0.00 64.05 61.26 3i6t n THR 21 Cb 0.62 -0.98 -0.12 0.00 -2.10 0.00 0.00 70.33 67.75 3i6t n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i6t s ALA 34 N -0.22 2.70 -0.00 6.98 0.00 -1.26 -5.07 121.76 124.88 3i6t s ALA 34 Ca 0.04 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 50.83 3i6t s ALA 34 Cb 0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 3i6t s ALA 34 CO 0.01 0.59 -0.07 0.14 0.00 0.00 0.00 175.76 176.43 3i6t s VAL 35 N -0.99 3.67 -0.14 0.00 -7.23 -0.57 -4.84 120.40 110.31 3i6t s VAL 35 Ca 0.16 -0.74 -0.04 0.00 -1.81 0.00 0.00 61.98 59.55 3i6t s VAL 35 Cb -0.11 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 3i6t s VAL 35 CO 0.07 0.42 0.01 -1.61 -0.31 0.00 0.00 175.10 173.68 3i6t s GLU 36 N -1.35 3.52 0.18 4.82 2.02 -1.26 0.00 118.70 126.62 3i6t s GLU 36 Ca 0.17 -0.42 0.01 0.00 0.02 0.00 0.00 54.97 54.75 3i6t s GLU 36 Cb -0.11 -2.97 -0.05 0.00 0.10 0.00 0.00 34.13 31.11 3i6t s GLU 36 CO 0.07 0.43 0.03 0.14 0.02 0.00 0.00 175.26 175.94 3i6t s VAL 37 N -0.11 0.54 -0.09 2.63 -7.23 -0.96 -4.32 120.40 110.86 3i6t s VAL 37 Ca 0.05 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.28 3i6t s VAL 37 Cb -0.13 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.63 3i6t s VAL 37 CO 0.02 -0.40 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.50 3i6t s VAL 38 N -3.76 1.85 -0.09 1.32 1.01 -0.35 -0.93 120.40 119.44 3i6t s VAL 38 Ca 0.26 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 3i6t s VAL 38 Cb 0.07 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 3i6t s VAL 38 CO 0.05 0.51 -0.05 -0.69 0.00 0.00 0.00 175.10 174.92 3i6t s VAL 39 N 0.33 3.86 -0.11 2.92 1.01 -0.01 -0.40 120.40 128.00 3i6t s VAL 39 Ca -0.16 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3i6t s VAL 39 Cb -0.17 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 3i6t s VAL 39 CO 0.07 0.57 -0.12 -0.22 0.00 0.00 0.00 175.10 175.40 3i6t s LEU 40 N -0.51 2.81 -0.14 3.92 2.96 0.95 -1.49 118.68 127.18 3i6t s LEU 40 Ca 0.08 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 3i6t s LEU 40 Cb -0.12 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 3i6t s LEU 40 CO 0.02 0.22 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.57 3i6t s ARG 41 N 0.00 3.46 -0.05 1.98 3.52 0.87 -1.26 118.95 127.47 3i6t s ARG 41 Ca -0.03 -0.64 -0.00 0.00 -0.13 0.00 0.00 55.73 54.93 3i6t s ARG 41 Cb -0.14 -2.70 -0.03 0.00 -1.56 0.00 0.00 34.95 30.51 3i6t s ARG 41 CO 0.04 0.22 -0.02 -0.51 -0.81 0.00 0.00 175.30 174.22 3i6t s LEU 42 N 0.35 3.46 -0.10 -0.88 1.43 0.38 -1.01 118.68 122.31 3i6t s LEU 42 Ca -0.09 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 3i6t s LEU 42 Cb -0.15 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.24 3i6t s LEU 42 CO 0.05 0.34 -0.10 -1.58 0.23 0.00 0.00 176.35 175.29 3i6t s GLN 43 N -1.09 1.66 0.60 1.70 0.74 -0.17 -1.19 119.66 121.91 3i6t s GLN 43 Ca 0.15 -0.34 -0.09 0.00 0.05 0.00 0.00 55.36 55.13 3i6t s GLN 43 Cb -0.11 -1.55 -0.03 0.00 1.10 0.00 0.00 33.01 32.42 3i6t s GLN 43 CO 0.05 -0.14 0.97 0.00 -0.55 0.00 0.00 175.29 175.62 3i6t s ALA 44 N 1.25 3.15 0.20 1.58 0.00 -0.43 0.49 121.76 128.01 3i6t s ALA 44 Ca -0.03 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.66 3i6t s ALA 44 Cb -0.14 -2.91 0.51 0.00 0.00 0.00 0.00 23.12 20.58 3i6t s ALA 44 CO -0.03 -0.70 1.03 -0.25 0.00 0.00 0.00 175.76 175.80 3i6t n ASP 45 N -2.66 -0.07 0.00 0.00 8.00 0.31 -0.63 116.55 121.49 3i6t n ASP 45 Ca 0.05 1.11 0.12 0.00 0.71 0.00 0.00 54.79 56.78 3i6t n ASP 45 Cb 0.55 -0.41 0.63 0.00 -0.02 0.00 0.00 41.12 41.88 3i6t n ASP 45 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3i6t n SER 46 N -4.86 0.00 0.00 -2.24 3.41 -1.26 -4.90 113.62 103.78 3i6t n SER 46 Ca 0.16 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3i6t n SER 46 Cb 0.52 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3i6t n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i6t n GLY 47 N 0.71 2.24 3.67 5.00 0.00 0.19 -5.05 105.19 111.95 3i6t n GLY 47 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3i6t n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6t n ALA 48 N -1.17 0.85 -2.46 4.61 0.00 -1.26 -4.73 120.51 116.35 3i6t n ALA 48 Ca 0.00 0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.39 3i6t n ALA 48 Cb 0.00 -2.21 -0.11 0.00 0.00 0.00 0.00 19.45 17.13 3i6t n ALA 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3i6t s VAL 49 N -1.33 1.58 0.03 0.00 -7.23 -1.26 -1.31 120.40 110.88 3i6t s VAL 49 Ca 0.68 -1.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 3i6t s VAL 49 Cb -0.47 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 3i6t s VAL 49 CO 0.52 -0.38 -0.05 -0.83 -0.31 0.00 0.00 175.10 174.06 3i6t s GLY 50 N -2.60 0.33 0.16 2.32 0.00 -0.33 -4.34 107.32 102.86 3i6t s GLY 50 Ca 0.13 -0.60 0.09 0.00 0.00 0.00 0.00 44.72 44.34 3i6t s GLY 50 CO 0.05 -0.65 -0.21 -0.19 0.00 0.00 0.00 173.10 172.10 3i6t s TYR 51 N -1.25 1.99 0.06 1.90 1.51 -1.26 -0.47 117.35 119.83 3i6t s TYR 51 Ca -0.11 -0.42 -0.11 0.00 -1.01 0.00 0.00 57.07 55.42 3i6t s TYR 51 Cb -0.09 -1.01 0.01 0.00 -0.11 0.00 0.00 41.96 40.76 3i6t s TYR 51 CO -0.00 0.36 0.23 0.20 -1.11 0.00 0.00 175.55 175.23 3i6t s GLY 52 N -2.48 -0.01 -0.04 0.71 0.00 -0.39 -3.07 107.32 102.04 3i6t s GLY 52 Ca 0.15 -0.30 0.06 0.00 0.00 0.00 0.00 44.72 44.64 3i6t s GLY 52 CO 0.07 -0.49 -0.24 1.85 0.00 0.00 0.00 173.10 174.29 3i6t s GLU 53 N -3.06 2.23 -0.13 2.90 2.12 -1.26 -0.04 118.70 121.47 3i6t s GLU 53 Ca -0.01 -0.85 -0.01 0.00 0.36 0.00 0.00 54.97 54.46 3i6t s GLU 53 Cb 0.01 -1.98 -0.02 0.00 0.26 0.00 0.00 34.13 32.40 3i6t s GLU 53 CO -0.07 0.41 -0.11 0.00 -0.54 0.00 0.00 175.26 174.96 3i6t s ALA 54 N -0.28 2.72 -0.62 6.30 0.00 0.46 -3.65 121.76 126.69 3i6t s ALA 54 Ca 0.01 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.14 3i6t s ALA 54 Cb -0.12 -1.26 0.18 0.00 0.00 0.00 0.00 23.12 21.91 3i6t s ALA 54 CO 0.02 0.28 0.48 0.43 0.00 0.00 0.00 175.76 176.96 3i6t n SER 55 N 3.38 2.14 -4.80 0.00 7.64 -1.26 -1.22 113.62 119.50 3i6t n SER 55 Ca -0.18 -3.01 -0.35 0.00 1.01 0.00 0.00 58.87 56.35 3i6t n SER 55 Cb 0.53 -0.70 -0.06 0.00 -1.01 0.00 0.00 64.21 62.96 3i6t n SER 55 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3i6t s PRO 56 N -1.16 4.28 -0.22 1.43 0.02 -1.26 -4.62 135.00 133.46 3i6t s PRO 56 Ca 0.28 1.24 0.02 0.00 0.02 0.00 0.00 61.00 62.56 3i6t s PRO 56 Cb -0.00 -2.37 0.04 0.00 0.02 0.00 0.00 34.50 32.19 3i6t s PRO 56 CO -0.17 0.00 -0.14 -0.46 -0.33 0.00 0.00 177.00 175.91 3i6t s TRP 57 N -1.96 2.99 0.37 6.54 -0.00 -1.23 -4.81 118.94 120.83 3i6t s TRP 57 Ca 0.59 -2.00 0.08 0.00 -0.00 0.00 0.00 56.10 54.77 3i6t s TRP 57 Cb -0.14 -1.89 0.81 0.00 -0.00 0.00 0.00 33.47 32.26 3i6t s TRP 57 CO 0.18 -0.84 1.91 -0.24 -0.00 0.00 0.00 176.95 177.96 3i6t h VAL 58 N 6.44 0.91 0.00 5.86 3.04 -1.93 0.10 116.25 130.67 3i6t h VAL 58 Ca -0.29 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 3i6t h VAL 58 Cb 1.08 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 3i6t h VAL 58 CO 0.52 0.13 -0.03 1.33 -1.01 0.00 0.00 177.57 178.51 3i6t n VAL 59 N -4.52 0.41 0.00 1.51 0.24 -1.26 -3.84 118.33 110.87 3i6t n VAL 59 Ca 0.14 -0.20 -0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3i6t n VAL 59 Cb 0.38 -0.54 -0.00 0.00 -1.47 0.00 0.00 33.84 32.21 3i6t n VAL 59 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 3i6t n PHE 60 N -2.03 0.00 0.01 6.34 -0.00 -0.06 -4.88 117.46 116.83 3i6t n PHE 60 Ca 0.06 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.55 3i6t n PHE 60 Cb 0.40 -0.01 -0.11 0.00 -0.00 0.00 0.00 39.48 39.77 3i6t n PHE 60 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3i6t n THR 61 N -2.58 0.69 0.00 -2.13 -2.24 0.15 -5.01 114.28 103.16 3i6t n THR 61 Ca -0.00 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3i6t n THR 61 Cb 0.01 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 3i6t n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i6t n GLY 62 N 1.37 2.39 3.83 3.38 0.00 -0.89 -4.50 105.19 110.78 3i6t n GLY 62 Ca -0.10 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 3i6t n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i6t s SER 63 N 0.00 5.76 0.35 1.61 1.04 -1.26 -3.28 113.70 117.91 3i6t s SER 63 Ca 0.00 1.58 0.09 0.00 0.48 0.00 0.00 55.95 58.10 3i6t s SER 63 Cb 0.00 -2.49 0.64 0.00 0.10 0.00 0.00 66.02 64.27 3i6t s SER 63 CO 0.00 -1.19 1.82 1.62 0.98 0.00 0.00 173.24 176.47 3i6t h VAL 64 N -0.37 1.24 -0.48 5.02 3.04 -1.95 -1.88 116.25 120.88 3i6t h VAL 64 Ca -0.44 -1.15 -0.10 0.00 -1.01 0.00 0.00 66.70 63.99 3i6t h VAL 64 Cb 1.20 1.48 -0.02 0.00 -2.01 0.00 0.00 31.29 31.94 3i6t h VAL 64 CO 0.59 0.35 -0.11 -0.33 -1.01 0.00 0.00 177.57 177.06 3i6t h GLU 65 N 0.18 0.88 -0.25 4.17 3.07 -1.99 0.34 114.58 120.97 3i6t h GLU 65 Ca 0.03 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.57 3i6t h GLU 65 Cb 0.59 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 3i6t h GLU 65 CO 0.04 0.94 0.11 0.00 -1.40 0.00 0.00 179.01 178.71 3i6t h ALA 66 N 1.08 0.32 -0.87 3.43 0.00 -1.83 -1.76 119.26 119.63 3i6t h ALA 66 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3i6t h ALA 66 Cb 0.62 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3i6t h ALA 66 CO 0.04 -0.11 0.46 1.15 0.00 0.00 0.00 179.25 180.80 3i6t h THR 67 N 0.26 1.26 -0.28 0.00 2.02 -1.09 -0.74 112.91 114.34 3i6t h THR 67 Ca 0.08 -0.66 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 3i6t h THR 67 Cb 0.14 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 3i6t h THR 67 CO -0.01 0.29 -0.02 0.22 0.37 0.00 0.00 175.52 176.37 3i6t h TYR 68 N 1.23 0.56 -0.68 3.16 3.20 -0.75 -2.45 116.97 121.24 3i6t h TYR 68 Ca 0.31 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 3i6t h TYR 68 Cb 0.05 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 3i6t h TYR 68 CO 0.01 0.67 0.15 0.00 -1.64 0.00 0.00 178.16 177.36 3i6t h ALA 69 N 0.81 0.98 -0.31 1.82 0.00 -1.19 0.52 119.26 121.89 3i6t h ALA 69 Ca 0.08 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.80 3i6t h ALA 69 Cb 0.47 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3i6t h ALA 69 CO 0.02 0.66 -0.12 0.00 0.00 0.00 0.00 179.25 179.80 3i6t h ALA 70 N 1.12 0.14 -0.04 0.00 0.00 -0.92 -0.57 119.26 118.99 3i6t h ALA 70 Ca 0.21 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3i6t h ALA 70 Cb 0.38 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3i6t h ALA 70 CO 0.00 -0.51 -0.07 -0.07 0.00 0.00 0.00 179.25 178.61 3i6t h LEU 71 N -0.06 0.13 -0.26 0.00 3.38 -0.94 0.17 115.31 117.73 3i6t h LEU 71 Ca 0.15 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 3i6t h LEU 71 Cb 0.30 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3i6t h LEU 71 CO -0.35 0.65 -0.08 -0.78 0.09 0.00 0.00 178.44 177.96 3i6t h ASP 72 N -0.38 0.53 0.02 -0.43 3.58 0.22 -1.05 116.42 118.91 3i6t h ASP 72 Ca 0.00 -0.38 -0.39 0.00 0.42 0.00 0.00 57.03 56.69 3i6t h ASP 72 Cb 0.62 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 41.47 3i6t h ASP 72 CO 0.02 0.79 -2.23 -1.14 -2.88 0.00 0.00 179.24 173.80 3i6t n ARG 73 N -4.51 0.63 -0.08 0.28 0.63 -0.24 -4.47 116.66 108.90 3i6t n ARG 73 Ca -0.04 0.28 -0.19 0.00 -0.92 0.00 0.00 57.85 56.99 3i6t n ARG 73 Cb 0.32 -1.58 -0.13 0.00 0.45 0.00 0.00 32.46 31.52 3i6t n ARG 73 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3i6t n TYR 74 N -3.85 0.45 0.07 -0.14 4.02 -1.05 -4.52 117.16 112.13 3i6t n TYR 74 Ca -0.45 0.10 -0.23 0.00 -0.01 0.00 0.00 57.90 57.32 3i6t n TYR 74 Cb 0.91 -1.06 -0.15 0.00 -0.02 0.00 0.00 39.34 39.02 3i6t n TYR 74 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3i6t h LEU 75 N 0.02 0.58 -0.82 7.72 3.38 -0.72 -3.39 115.31 122.08 3i6t h LEU 75 Ca -0.52 -0.92 0.14 0.00 0.09 0.00 0.00 57.88 56.67 3i6t h LEU 75 Cb 1.96 -0.19 -0.14 0.00 0.09 0.00 0.00 40.66 42.39 3i6t h LEU 75 CO -0.02 1.71 -0.28 -1.14 0.09 0.00 0.00 178.44 178.79 3i6t n ARG 76 N -3.74 -0.15 0.23 1.13 0.63 -0.40 -1.04 116.66 113.32 3i6t n ARG 76 Ca -0.23 1.27 0.15 0.00 -0.92 0.00 0.00 57.85 58.12 3i6t n ARG 76 Cb 1.01 -1.89 0.49 0.00 0.45 0.00 0.00 32.46 32.53 3i6t n ARG 76 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 3i6t h PRO 77 N 0.00 0.00 -0.00 -0.14 0.13 -1.80 -0.17 132.00 130.02 3i6t h PRO 77 Ca 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 3i6t h PRO 77 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 3i6t h PRO 77 CO -0.82 0.00 -0.26 1.28 -0.23 0.00 0.00 178.00 177.97 3i6t n LEU 78 N -2.93 0.62 -0.05 1.56 4.77 -0.21 -4.36 117.00 116.40 3i6t n LEU 78 Ca 0.02 -0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.87 3i6t n LEU 78 Cb 0.37 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 3i6t n LEU 78 CO 0.28 0.12 -0.86 0.52 -1.33 0.00 0.00 177.39 176.13 3i6t n VAL 79 N -1.05 0.59 -1.76 4.08 0.31 -0.83 -4.81 118.33 114.85 3i6t n VAL 79 Ca 0.10 -0.19 -0.42 0.00 -0.01 0.00 0.00 64.34 63.83 3i6t n VAL 79 Cb 0.32 -1.27 -0.02 0.00 -0.91 0.00 0.00 33.84 31.96 3i6t n VAL 79 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i6t s LEU 80 N -6.11 4.35 0.00 7.52 1.43 -0.12 -2.07 118.68 123.68 3i6t s LEU 80 Ca -0.15 2.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.86 3i6t s LEU 80 Cb 0.05 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.65 3i6t s LEU 80 CO 0.21 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 176.47 3i6t n GLY 81 N 2.93 1.79 3.83 -3.19 0.00 0.02 -4.92 105.19 105.65 3i6t n GLY 81 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3i6t n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i6t s ARG 82 N -0.28 3.74 0.15 1.61 1.81 -0.88 -4.69 118.95 120.42 3i6t s ARG 82 Ca 0.00 1.02 -0.30 0.00 -1.72 0.00 0.00 55.73 54.73 3i6t s ARG 82 Cb 0.00 -2.10 -0.08 0.00 -0.45 0.00 0.00 34.95 32.32 3i6t s ARG 82 CO 0.00 -0.45 1.24 0.00 -0.68 0.00 0.00 175.30 175.41 3i6t s ALA 83 N -2.60 3.46 0.49 2.13 0.00 -1.26 -0.89 121.76 123.09 3i6t s ALA 83 Ca 0.60 0.98 0.22 0.00 0.00 0.00 0.00 51.96 53.75 3i6t s ALA 83 Cb -0.12 -3.45 1.37 0.00 0.00 0.00 0.00 23.12 20.93 3i6t s ALA 83 CO 0.34 -0.44 2.11 -0.24 0.00 0.00 0.00 175.76 177.53 3i6t h VAL 84 N 3.97 0.82 0.00 0.00 3.04 -1.50 -1.27 116.25 121.31 3i6t h VAL 84 Ca -0.44 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 64.92 3i6t h VAL 84 Cb 1.21 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 3i6t h VAL 84 CO 0.78 0.09 0.00 1.23 -1.01 0.00 0.00 177.57 178.65 3i6t h GLY 85 N 0.38 0.00 -1.99 3.17 0.00 -1.91 -2.94 103.07 99.77 3i6t h GLY 85 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 3i6t h GLY 85 CO 0.01 0.00 0.07 1.22 0.00 0.00 0.00 176.54 177.84 3i6t n ASP 86 N -2.70 2.60 -0.36 0.19 8.00 -0.48 -4.57 116.55 119.23 3i6t n ASP 86 Ca 0.02 -2.29 0.02 0.00 0.71 0.00 0.00 54.79 53.25 3i6t n ASP 86 Cb 0.29 -0.56 0.09 0.00 -0.02 0.00 0.00 41.12 40.92 3i6t n ASP 86 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 3i6t h HIS 87 N 0.62 -0.79 -0.78 1.24 -0.00 -1.71 -0.46 115.15 113.26 3i6t h HIS 87 Ca 0.07 0.10 -0.01 0.00 -0.00 0.00 0.00 60.37 60.53 3i6t h HIS 87 Cb 1.12 0.49 -0.04 0.00 -0.00 0.00 0.00 27.41 28.98 3i6t h HIS 87 CO 0.31 -0.41 0.46 0.00 -0.00 0.00 0.00 177.93 178.29 3i6t h ALA 88 N 1.66 0.99 -0.46 5.26 0.00 -1.91 -1.93 119.26 122.88 3i6t h ALA 88 Ca 0.40 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 3i6t h ALA 88 Cb 0.65 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3i6t h ALA 88 CO -0.98 0.47 -0.23 0.00 0.00 0.00 0.00 179.25 178.51 3i6t h ALA 89 N 1.24 0.65 -0.50 0.00 0.00 -1.53 -2.36 119.26 116.75 3i6t h ALA 89 Ca 0.28 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3i6t h ALA 89 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3i6t h ALA 89 CO -0.05 0.64 0.30 0.82 0.00 0.00 0.00 179.25 180.96 3i6t h ILE 90 N 0.81 1.04 -0.06 0.00 2.04 -0.77 -1.24 117.51 119.32 3i6t h ILE 90 Ca 0.10 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 3i6t h ILE 90 Cb 0.81 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3i6t h ILE 90 CO 0.07 0.11 -0.47 0.24 0.00 0.00 0.00 178.15 178.10 3i6t h MET 91 N 0.59 0.16 -0.39 2.37 2.86 -1.29 0.17 114.93 119.40 3i6t h MET 91 Ca 0.20 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3i6t h MET 91 Cb 0.03 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3i6t h MET 91 CO -0.10 0.59 0.26 0.93 1.06 0.00 0.00 176.91 179.65 3i6t h GLU 92 N 0.13 0.51 -0.68 1.72 4.39 -1.05 -1.28 114.58 118.31 3i6t h GLU 92 Ca 0.01 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 3i6t h GLU 92 Cb 0.88 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 3i6t h GLU 92 CO 0.07 0.34 0.17 -0.44 -1.16 0.00 0.00 179.01 177.99 3i6t h ASP 93 N 0.52 1.02 -0.31 1.42 3.32 -0.91 -2.44 116.42 119.04 3i6t h ASP 93 Ca 0.14 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3i6t h ASP 93 Cb -0.06 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 3i6t h ASP 93 CO -0.03 0.98 0.20 0.00 -1.72 0.00 0.00 179.24 178.67 3i6t h ALA 94 N 1.08 0.39 -0.79 3.45 0.00 -0.77 -0.86 119.26 121.76 3i6t h ALA 94 Ca 0.21 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3i6t h ALA 94 Cb 0.36 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3i6t h ALA 94 CO 0.00 -0.13 0.52 0.00 0.00 0.00 0.00 179.25 179.64 3i6t h ARG 95 N 0.41 0.97 0.00 0.00 3.08 -1.03 -2.45 114.38 115.36 3i6t h ARG 95 Ca 0.11 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3i6t h ARG 95 Cb -0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3i6t h ARG 95 CO -0.02 0.64 -0.19 0.00 -1.07 0.00 0.00 179.97 179.33 3i6t h ALA 96 N 1.53 0.93 0.00 0.04 0.00 -1.04 -3.35 119.26 117.36 3i6t h ALA 96 Ca 0.30 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 3i6t h ALA 96 Cb -0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3i6t h ALA 96 CO -0.08 0.24 -0.86 0.00 0.00 0.00 0.00 179.25 178.56 3i6t h ALA 97 N 1.81 0.45 -2.53 0.00 0.00 -0.66 -3.46 119.26 114.88 3i6t h ALA 97 Ca -0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 54.91 54.04 3i6t h ALA 97 Cb 0.93 -0.13 -0.25 0.00 0.00 0.00 0.00 17.79 18.34 3i6t h ALA 97 CO 0.03 1.06 -0.24 0.54 0.00 0.00 0.00 179.25 180.64 3i6t s VAL 98 N -2.78 -0.02 0.39 0.00 0.11 -1.23 -5.02 120.40 111.85 3i6t s VAL 98 Ca 0.02 0.07 -0.24 0.00 -2.93 0.00 0.00 61.98 58.90 3i6t s VAL 98 Cb 0.09 -0.68 -0.09 0.00 -1.53 0.00 0.00 36.38 34.17 3i6t s VAL 98 CO 0.80 0.03 1.06 0.00 -3.33 0.00 0.00 175.10 173.66 3i6t s ALA 99 N 1.41 3.10 0.00 1.54 0.00 -1.26 -4.83 121.76 121.72 3i6t s ALA 99 Ca -0.09 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3i6t s ALA 99 Cb -0.08 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3i6t s ALA 99 CO -0.14 -0.24 0.00 0.72 0.00 0.00 0.00 175.76 176.10 3i6t n HIS 100 N -0.00 0.00 -3.92 0.00 -0.00 -1.26 -4.91 115.22 105.13 3i6t n HIS 100 Ca 0.05 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.49 3i6t n HIS 100 Cb 0.49 0.06 0.01 0.00 -0.00 0.00 0.00 29.99 30.55 3i6t n HIS 100 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i6t h THR 102 N -1.88 0.77 -0.32 0.00 1.35 -1.86 -1.82 112.91 109.14 3i6t h THR 102 Ca -0.60 -0.55 -0.06 0.00 -0.55 0.00 0.00 66.41 64.65 3i6t h THR 102 Cb 1.37 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 3i6t h THR 102 CO 0.65 0.14 -0.02 -0.33 -0.25 0.00 0.00 175.52 175.71 3i6t h GLU 103 N 0.00 0.59 -0.44 4.72 3.07 -1.85 -1.20 114.58 119.46 3i6t h GLU 103 Ca -0.00 -0.20 0.05 0.00 -0.50 0.00 0.00 59.36 58.71 3i6t h GLU 103 Cb 0.32 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.13 3i6t h GLU 103 CO 0.02 0.73 0.17 0.00 -1.40 0.00 0.00 179.01 178.53 3i6t h ALA 104 N 0.83 0.53 -0.49 3.43 0.00 -1.71 -1.15 119.26 120.71 3i6t h ALA 104 Ca 0.09 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3i6t h ALA 104 Cb 0.48 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3i6t h ALA 104 CO 0.02 -0.22 -0.04 0.87 0.00 0.00 0.00 179.25 179.89 3i6t h LYS 105 N 0.34 0.84 -0.61 0.00 1.57 -1.24 -1.74 116.57 115.73 3i6t h LYS 105 Ca 0.21 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3i6t h LYS 105 Cb 0.19 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3i6t h LYS 105 CO -0.20 0.86 0.25 0.00 -0.57 0.00 0.00 179.45 179.79 3i6t h ALA 106 N 1.18 0.80 -0.56 3.86 0.00 -0.92 0.07 119.26 123.68 3i6t h ALA 106 Ca 0.14 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3i6t h ALA 106 Cb 0.52 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3i6t h ALA 106 CO 0.03 0.41 0.34 0.00 0.00 0.00 0.00 179.25 180.04 3i6t h ALA 107 N 1.09 0.72 -0.03 0.00 0.00 -0.88 0.99 119.26 121.15 3i6t h ALA 107 Ca 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i6t h ALA 107 Cb 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3i6t h ALA 107 CO -0.02 0.07 0.01 1.25 0.00 0.00 0.00 179.25 180.56 3i6t h LEU 108 N 0.68 0.04 -0.58 0.00 5.85 -1.04 -0.59 115.31 119.67 3i6t h LEU 108 Ca 0.22 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.79 3i6t h LEU 108 Cb 0.01 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 3i6t h LEU 108 CO -0.09 0.27 0.25 -0.78 -0.34 0.00 0.00 178.44 177.74 3i6t h ASP 109 N -0.18 0.29 -0.25 1.25 3.58 -0.81 0.07 116.42 120.36 3i6t h ASP 109 Ca 0.01 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 3i6t h ASP 109 Cb 0.24 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 3i6t h ASP 109 CO 0.00 0.18 0.15 0.74 -2.88 0.00 0.00 179.24 177.43 3i6t h THR 110 N 0.45 1.10 -0.79 2.25 2.02 -0.65 -1.53 112.91 115.77 3i6t h THR 110 Ca 0.28 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 3i6t h THR 110 Cb 0.30 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 3i6t h THR 110 CO -0.26 0.10 0.36 0.00 0.37 0.00 0.00 175.52 176.09 3i6t h ALA 111 N 1.04 1.16 -0.41 6.16 0.00 -0.81 0.08 119.26 126.48 3i6t h ALA 111 Ca 0.09 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3i6t h ALA 111 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3i6t h ALA 111 CO -0.02 0.63 0.01 -0.07 0.00 0.00 0.00 179.25 179.81 3i6t h LEU 112 N 1.12 0.71 -0.21 0.00 3.38 -0.77 0.08 115.31 119.63 3i6t h LEU 112 Ca 0.27 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3i6t h LEU 112 Cb 0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3i6t h LEU 112 CO -0.03 0.83 0.06 1.88 0.09 0.00 0.00 178.44 181.27 3i6t h TYR 113 N 0.56 0.33 -0.21 1.13 0.05 -1.11 -1.12 116.97 116.60 3i6t h TYR 113 Ca 0.12 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3i6t h TYR 113 Cb 0.47 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 3i6t h TYR 113 CO 0.04 0.41 0.13 0.22 -1.05 0.00 0.00 178.16 177.91 3i6t h ASP 114 N 0.16 0.24 -0.18 3.88 3.58 -0.85 0.95 116.42 124.20 3i6t h ASP 114 Ca 0.07 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 3i6t h ASP 114 Cb 0.24 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 3i6t h ASP 114 CO -0.00 0.19 0.10 0.25 -2.88 0.00 0.00 179.24 176.89 3i6t h LEU 115 N 0.27 0.23 -0.99 2.28 5.85 -0.97 -1.12 115.31 120.86 3i6t h LEU 115 Ca 0.08 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3i6t h LEU 115 Cb -0.02 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3i6t h LEU 115 CO -0.02 0.25 -0.10 0.03 -0.34 0.00 0.00 178.44 178.27 3i6t h ARG 116 N 0.18 0.62 -0.44 1.25 3.08 -0.96 -0.78 114.38 117.33 3i6t h ARG 116 Ca 0.06 -0.18 -0.14 0.00 0.07 0.00 0.00 59.98 59.79 3i6t h ARG 116 Cb 0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3i6t h ARG 116 CO -0.01 0.71 -0.29 0.00 -1.07 0.00 0.00 179.97 179.31 3i6t h ALA 117 N 1.33 0.63 -0.25 0.04 0.00 -0.65 -1.75 119.26 118.62 3i6t h ALA 117 Ca 0.11 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 3i6t h ALA 117 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3i6t h ALA 117 CO 0.03 0.67 -0.48 0.00 0.00 0.00 0.00 179.25 179.47 3i6t h ARG 118 N 0.82 0.76 -0.90 0.00 3.08 -1.04 0.34 114.38 117.45 3i6t h ARG 118 Ca 0.09 -0.49 0.11 0.00 0.07 0.00 0.00 59.98 59.76 3i6t h ARG 118 Cb 0.88 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.91 3i6t h ARG 118 CO 0.08 1.11 0.53 0.82 -1.07 0.00 0.00 179.97 181.45 3i6t h ILE 119 N 0.50 0.90 0.00 2.04 2.04 -1.08 -2.23 117.51 119.69 3i6t h ILE 119 Ca 0.01 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3i6t h ILE 119 Cb 1.09 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3i6t h ILE 119 CO 0.11 0.16 -0.27 0.00 0.00 0.00 0.00 178.15 178.15 3i6t n ALA 120 N -2.37 2.67 -3.19 1.87 0.00 -0.66 -4.96 120.51 113.86 3i6t n ALA 120 Ca 0.16 -0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3i6t n ALA 120 Cb 0.31 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.50 3i6t n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i6t n GLY 121 N 1.38 -0.16 3.21 0.00 0.00 0.10 -5.06 105.19 104.65 3i6t n GLY 121 Ca 0.05 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 3i6t n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i6t s VAL 122 N -3.26 1.10 0.71 1.61 -7.23 -0.03 -4.76 120.40 108.55 3i6t s VAL 122 Ca 0.21 -1.72 -0.13 0.00 -1.81 0.00 0.00 61.98 58.53 3i6t s VAL 122 Cb -0.09 -1.48 0.03 0.00 0.56 0.00 0.00 36.38 35.40 3i6t s VAL 122 CO 0.55 -0.54 1.10 -2.16 -0.31 0.00 0.00 175.10 173.74 3i6t s PRO 123 N -2.87 2.53 0.36 4.82 0.04 -1.22 -0.59 135.00 138.07 3i6t s PRO 123 Ca 0.08 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.47 3i6t s PRO 123 Cb -0.03 -1.92 0.67 0.00 0.04 0.00 0.00 34.50 33.26 3i6t s PRO 123 CO 0.01 -1.45 1.97 0.28 0.04 0.00 0.00 177.00 177.85 3i6t h VAL 124 N -0.50 1.16 -0.06 -0.36 2.07 -1.55 -1.81 116.25 115.20 3i6t h VAL 124 Ca -0.45 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 66.65 3i6t h VAL 124 Cb 1.24 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3i6t h VAL 124 CO 0.53 0.18 0.07 4.11 0.02 0.00 0.00 177.57 182.48 3i6t h TRP 125 N 0.67 0.00 0.00 1.57 5.08 -1.86 0.11 115.95 121.52 3i6t h TRP 125 Ca 0.17 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.14 3i6t h TRP 125 Cb 0.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.22 3i6t h TRP 125 CO 0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 3i6t h ALA 126 N 1.92 1.00 -0.01 0.11 0.00 -1.62 -1.88 119.26 118.79 3i6t h ALA 126 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i6t h ALA 126 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3i6t h ALA 126 CO -0.00 0.00 -0.36 1.28 0.00 0.00 0.00 179.25 180.17 3i6t n LEU 127 N -2.48 1.27 -0.59 0.00 4.77 0.37 -4.31 117.00 116.02 3i6t n LEU 127 Ca 0.01 -0.39 0.07 0.00 -0.03 0.00 0.00 56.01 55.67 3i6t n LEU 127 Cb 0.21 -0.09 0.18 0.00 -2.33 0.00 0.00 43.42 41.39 3i6t n LEU 127 CO 0.20 0.24 0.64 0.18 -1.33 0.00 0.00 177.39 177.32 3i6t n LEU 128 N -0.56 3.18 0.00 2.23 4.77 -0.89 -4.93 117.00 120.80 3i6t n LEU 128 Ca 0.11 -2.66 0.00 0.00 -0.03 0.00 0.00 56.01 53.43 3i6t n LEU 128 Cb 0.38 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3i6t n LEU 128 CO 0.28 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 3i6t n GLY 129 N -0.40 0.91 4.94 -0.72 0.00 -1.22 -4.87 105.19 103.84 3i6t n GLY 129 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3i6t n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6t n GLY 130 N -0.47 -1.97 3.46 -0.02 0.00 -0.76 -5.00 105.19 100.45 3i6t n GLY 130 Ca 0.00 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 3i6t n GLY 130 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i6t s ARG 131 N 0.00 2.46 -0.00 1.61 3.52 -1.26 -4.16 118.95 121.12 3i6t s ARG 131 Ca 0.00 -0.72 0.06 0.00 -0.13 0.00 0.00 55.73 54.94 3i6t s ARG 131 Cb 0.00 -2.35 -0.07 0.00 -1.56 0.00 0.00 34.95 30.97 3i6t s ARG 131 CO 0.00 0.62 0.19 0.00 -0.81 0.00 0.00 175.30 175.30 3i6t s ARG 133 N -1.87 0.64 0.00 0.00 1.70 -1.17 -5.04 118.95 113.20 3i6t s ARG 133 Ca 0.00 0.29 0.15 0.00 -0.47 0.00 0.00 55.73 55.70 3i6t s ARG 133 Cb 0.04 0.30 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 3i6t s ARG 133 CO 0.23 -0.14 0.82 -0.40 -1.08 0.00 0.00 175.30 174.73 3i6t n ASP 134 N 2.04 1.59 -3.97 -2.89 5.75 -1.26 -4.67 116.55 113.14 3i6t n ASP 134 Ca -0.17 -1.30 -0.17 0.00 -0.01 0.00 0.00 54.79 53.15 3i6t n ASP 134 Cb 0.57 0.43 -0.15 0.00 -1.03 0.00 0.00 41.12 40.94 3i6t n ASP 134 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3i6t s ARG 135 N -1.72 0.52 -0.11 0.11 0.52 -1.26 -0.58 118.95 116.43 3i6t s ARG 135 Ca 0.13 -0.22 0.02 0.00 -0.52 0.00 0.00 55.73 55.13 3i6t s ARG 135 Cb 0.12 -0.50 0.01 0.00 0.52 0.00 0.00 34.95 35.10 3i6t s ARG 135 CO 0.35 0.13 -0.15 0.42 0.02 0.00 0.00 175.30 176.07 3i6t s ILE 136 N -0.11 1.51 0.30 1.52 1.01 -0.04 -4.94 121.20 120.46 3i6t s ILE 136 Ca 0.02 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 3i6t s ILE 136 Cb -0.03 -1.38 -0.12 0.00 0.01 0.00 0.00 42.46 40.94 3i6t s ILE 136 CO -0.00 0.44 1.54 -2.65 0.00 0.00 0.00 174.94 174.28 3i6t n PRO 137 N 4.21 2.60 -4.09 2.79 -0.02 -1.26 -0.05 135.00 139.17 3i6t n PRO 137 Ca -0.19 0.92 -0.35 0.00 -2.02 0.00 0.00 63.50 61.86 3i6t n PRO 137 Cb 0.51 -2.67 -0.07 0.00 -0.02 0.00 0.00 33.50 31.25 3i6t n PRO 137 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i6t s LEU 138 N -0.67 4.03 -0.04 2.45 2.96 -0.78 -0.67 118.68 125.95 3i6t s LEU 138 Ca 0.62 0.30 0.06 0.00 -0.22 0.00 0.00 54.13 54.89 3i6t s LEU 138 Cb -0.51 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.11 3i6t s LEU 138 CO 0.52 0.37 -0.22 -0.55 -1.32 0.00 0.00 176.35 175.14 3i6t s SER 139 N -1.14 3.33 -0.02 3.68 0.15 0.44 -3.75 113.70 116.39 3i6t s SER 139 Ca 0.16 -0.41 0.02 0.00 0.70 0.00 0.00 55.95 56.43 3i6t s SER 139 Cb -0.12 -0.66 -0.03 0.00 -1.71 0.00 0.00 66.02 63.50 3i6t s SER 139 CO 0.06 0.30 -0.07 0.00 1.20 0.00 0.00 173.24 174.73 3i6t s SER 141 N -1.22 7.06 -0.36 0.00 0.01 -1.26 -1.75 113.70 116.18 3i6t s SER 141 Ca 0.16 1.49 0.03 0.00 1.31 0.00 0.00 55.95 58.94 3i6t s SER 141 Cb -0.11 -2.45 0.10 0.00 0.21 0.00 0.00 66.02 63.78 3i6t s SER 141 CO 0.06 -0.04 0.08 -0.63 0.41 0.00 0.00 173.24 173.11 3i6t s ILE 142 N -1.65 2.39 0.00 1.44 -1.09 -0.31 -4.90 121.20 117.08 3i6t s ILE 142 Ca 0.47 -2.39 0.00 0.00 -2.23 0.00 0.00 60.65 56.50 3i6t s ILE 142 Cb -0.16 -2.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 3i6t s ILE 142 CO 0.20 -0.62 0.97 0.00 -1.23 0.00 0.00 174.94 174.26 3i6t n ALA 143 N 4.20 1.94 -2.67 9.38 0.00 -1.26 -1.13 120.51 130.98 3i6t n ALA 143 Ca 0.04 -0.96 -0.40 0.00 0.00 0.00 0.00 53.44 52.12 3i6t n ALA 143 Cb 0.41 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.35 3i6t n ALA 143 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i6t s ASP 144 N -0.93 7.03 0.46 0.00 -1.08 -1.26 -4.94 116.67 115.94 3i6t s ASP 144 Ca 0.00 1.24 0.12 0.00 -0.52 0.00 0.00 52.55 53.39 3i6t s ASP 144 Cb 0.00 -2.42 1.05 0.00 -1.46 0.00 0.00 42.92 40.09 3i6t s ASP 144 CO 0.00 -0.10 2.06 1.55 0.52 0.00 0.00 175.17 179.21 3i6t h PRO 145 N 6.59 0.32 -5.73 4.34 0.13 -2.00 -3.32 132.00 132.34 3i6t h PRO 145 Ca -0.42 -0.02 -0.61 0.00 -0.87 0.00 0.00 66.00 64.09 3i6t h PRO 145 Cb 1.20 -0.07 -0.13 0.00 0.13 0.00 0.00 31.00 32.13 3i6t h PRO 145 CO 0.75 0.21 0.67 0.34 -0.23 0.00 0.00 178.00 179.73 3i6t s ASP 146 N -6.67 6.20 0.37 1.44 -1.08 -1.26 -4.91 116.67 110.76 3i6t s ASP 146 Ca -0.07 -0.75 0.13 0.00 -0.52 0.00 0.00 52.55 51.34 3i6t s ASP 146 Cb 0.18 -2.45 0.71 0.00 -1.46 0.00 0.00 42.92 39.90 3i6t s ASP 146 CO 0.72 -1.49 1.82 0.15 0.52 0.00 0.00 175.17 176.88 3i6t h PHE 147 N 9.63 0.00 -0.76 -5.34 3.57 -2.01 -2.87 116.94 119.17 3i6t h PHE 147 Ca -0.28 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.24 3i6t h PHE 147 Cb 1.07 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 3i6t h PHE 147 CO 1.00 0.38 0.49 -0.44 -2.23 0.00 0.00 178.31 177.51 3i6t h ASP 148 N 0.00 0.83 -0.88 0.41 3.32 -1.92 0.11 116.42 118.29 3i6t h ASP 148 Ca -0.00 -0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.15 3i6t h ASP 148 Cb 0.68 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.96 3i6t h ASP 148 CO 0.05 0.58 0.51 0.11 -1.72 0.00 0.00 179.24 178.77 3i6t h LYS 149 N 0.98 0.78 -0.16 3.56 1.57 -1.92 -1.69 116.57 119.69 3i6t h LYS 149 Ca 0.29 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.88 3i6t h LYS 149 Cb -0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 3i6t h LYS 149 CO -0.09 0.52 -0.50 -0.44 -0.57 0.00 0.00 179.45 178.37 3i6t h ASP 150 N 0.81 0.48 -0.35 0.86 3.32 -1.22 -0.01 116.42 120.31 3i6t h ASP 150 Ca 0.44 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3i6t h ASP 150 Cb 0.47 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3i6t h ASP 150 CO -0.28 0.90 0.19 -0.07 -1.72 0.00 0.00 179.24 178.26 3i6t h LEU 151 N 0.35 0.47 -0.16 1.55 3.38 -0.19 0.15 115.31 120.85 3i6t h LEU 151 Ca 0.02 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3i6t h LEU 151 Cb 1.00 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3i6t h LEU 151 CO 0.09 0.40 -0.02 0.00 0.09 0.00 0.00 178.44 178.99 3i6t h ALA 152 N 1.68 0.22 -0.84 1.53 0.00 -0.74 -3.12 119.26 117.97 3i6t h ALA 152 Ca 0.14 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.93 3i6t h ALA 152 Cb 0.05 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 3i6t h ALA 152 CO -0.02 -0.05 0.48 1.25 0.00 0.00 0.00 179.25 180.91 3i6t h LEU 153 N 0.01 0.67 -0.68 0.00 5.85 -0.36 -2.21 115.31 118.60 3i6t h LEU 153 Ca 0.04 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3i6t h LEU 153 Cb 0.43 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3i6t h LEU 153 CO 0.01 0.37 0.41 0.24 -0.34 0.00 0.00 178.44 179.13 3i6t h MET 154 N 0.78 0.77 -0.60 1.25 2.86 -0.70 -1.04 114.93 118.25 3i6t h MET 154 Ca 0.42 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 58.05 3i6t h MET 154 Cb 0.42 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 3i6t h MET 154 CO -0.27 0.51 0.35 1.96 1.06 0.00 0.00 176.91 180.52 3i6t h GLN 155 N 0.79 0.65 -0.82 1.72 1.08 -1.35 0.23 115.11 117.41 3i6t h GLN 155 Ca 0.28 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.45 3i6t h GLN 155 Cb 0.07 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 3i6t h GLN 155 CO -0.13 0.43 0.54 -0.09 -0.95 0.00 0.00 178.83 178.63 3i6t h ARG 156 N 0.67 1.09 -0.09 1.46 2.43 -1.21 0.13 114.38 118.86 3i6t h ARG 156 Ca 0.26 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3i6t h ARG 156 Cb 0.09 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3i6t h ARG 156 CO -0.14 0.73 0.04 -0.07 -1.51 0.00 0.00 179.97 179.02 3i6t h LEU 157 N 1.12 0.12 -0.76 3.80 3.38 -0.24 0.16 115.31 122.89 3i6t h LEU 157 Ca 0.30 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3i6t h LEU 157 Cb -0.11 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3i6t h LEU 157 CO -0.06 0.23 0.50 -0.61 0.09 0.00 0.00 178.44 178.58 3i6t h GLN 158 N 0.00 0.98 -0.23 1.13 4.15 -0.32 -0.92 115.11 119.91 3i6t h GLN 158 Ca 0.03 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 3i6t h GLN 158 Cb 0.14 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 3i6t h GLN 158 CO -0.00 0.65 -0.03 -0.44 -1.93 0.00 0.00 178.83 177.07 3i6t h ASP 159 N 1.01 0.32 -0.01 -0.69 3.32 -0.48 -2.58 116.42 117.31 3i6t h ASP 159 Ca 0.29 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3i6t h ASP 159 Cb -0.08 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3i6t h ASP 159 CO -0.07 0.40 0.00 0.47 -1.72 0.00 0.00 179.24 178.32 3i6t n ASP 160 N -4.32 0.18 0.00 6.45 9.92 0.55 -4.90 116.55 124.43 3i6t n ASP 160 Ca 0.00 -1.16 0.00 0.00 -0.53 0.00 0.00 54.79 53.10 3i6t n ASP 160 Cb 0.22 -0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 3i6t n ASP 160 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3i6t n ASP 161 N -0.81 -3.61 -4.73 -2.24 8.00 -0.74 -2.90 116.55 109.52 3i6t n ASP 161 Ca 0.21 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.29 3i6t n ASP 161 Cb 0.13 -1.62 -0.03 0.00 -0.02 0.00 0.00 41.12 39.58 3i6t n ASP 161 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i6t s VAL 162 N -1.76 2.59 -0.02 2.53 1.01 -0.88 -3.76 120.40 120.10 3i6t s VAL 162 Ca 0.00 0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.46 3i6t s VAL 162 Cb 0.00 -3.29 0.05 0.00 0.00 0.00 0.00 36.38 33.14 3i6t s VAL 162 CO 0.00 0.05 0.86 0.54 0.00 0.00 0.00 175.10 176.54 3i6t n ARG 163 N 3.39 1.16 -4.64 2.72 5.12 -1.26 -4.23 116.66 118.93 3i6t n ARG 163 Ca 0.11 -1.26 -0.24 0.00 -1.93 0.00 0.00 57.85 54.54 3i6t n ARG 163 Cb 0.39 -0.83 -0.16 0.00 -1.16 0.00 0.00 32.46 30.70 3i6t n ARG 163 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3i6t s ILE 164 N -0.80 1.15 0.13 0.55 1.01 -1.25 -1.05 121.20 120.94 3i6t s ILE 164 Ca 0.05 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.20 3i6t s ILE 164 Cb 0.05 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 3i6t s ILE 164 CO 0.01 0.34 -0.13 0.27 0.00 0.00 0.00 174.94 175.43 3i6t s ILE 165 N 0.18 1.27 -0.26 2.92 -4.36 -0.73 -2.02 121.20 118.20 3i6t s ILE 165 Ca -0.05 -1.81 0.03 0.00 -0.26 0.00 0.00 60.65 58.56 3i6t s ILE 165 Cb -0.11 -1.60 0.06 0.00 1.25 0.00 0.00 42.46 42.06 3i6t s ILE 165 CO 0.02 -0.52 -0.10 -0.75 0.24 0.00 0.00 174.94 173.83 3i6t s LYS 166 N -2.97 2.12 -0.16 0.37 2.20 -0.72 -1.37 119.74 119.21 3i6t s LYS 166 Ca 0.11 -1.30 -0.29 0.00 -0.36 0.00 0.00 55.97 54.13 3i6t s LYS 166 Cb -0.03 -2.84 -0.02 0.00 -1.51 0.00 0.00 37.83 33.43 3i6t s LYS 166 CO 0.02 -0.58 1.32 -1.17 -0.36 0.00 0.00 175.35 174.59 3i6t s LEU 167 N 1.15 4.17 -0.18 5.43 2.96 0.20 -1.16 118.68 131.24 3i6t s LEU 167 Ca -0.08 1.72 -0.28 0.00 -0.22 0.00 0.00 54.13 55.27 3i6t s LEU 167 Cb -0.20 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.95 3i6t s LEU 167 CO -0.05 -0.82 0.97 -0.54 -1.32 0.00 0.00 176.35 174.58 3i6t s LYS 168 N 3.66 4.31 0.34 1.98 -0.14 -0.28 -0.86 119.74 128.75 3i6t s LYS 168 Ca 0.58 1.26 0.09 0.00 -1.36 0.00 0.00 55.97 56.54 3i6t s LYS 168 Cb -0.23 -3.60 -0.06 0.00 -1.68 0.00 0.00 37.83 32.27 3i6t s LYS 168 CO 0.17 -0.46 -0.04 0.95 -0.76 0.00 0.00 175.35 175.21 3i6t s THR 169 N 2.58 2.43 -0.79 2.17 -4.23 -0.12 -4.78 115.64 112.90 3i6t s THR 169 Ca 0.43 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 3i6t s THR 169 Cb -0.16 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 70.96 3i6t s THR 169 CO 0.11 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 3i6t n GLY 170 N -0.87 0.91 0.01 3.99 0.00 -1.26 -4.45 105.19 103.52 3i6t n GLY 170 Ca -0.05 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.36 3i6t n GLY 170 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3i6t n PHE 171 N -2.84 0.00 0.00 1.61 -1.74 -1.26 -4.83 117.46 108.39 3i6t n PHE 171 Ca -0.08 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.81 3i6t n PHE 171 Cb 0.26 -0.26 0.00 0.00 1.52 0.00 0.00 39.48 41.01 3i6t n PHE 171 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 3i6t n LYS 172 N -1.86 0.00 -4.07 3.97 4.76 -1.26 -5.14 118.16 114.56 3i6t n LYS 172 Ca -0.01 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 3i6t n LYS 172 Cb 0.39 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.52 3i6t n LYS 172 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 3i6t s ASP 173 N 0.00 0.30 0.23 4.39 1.47 -1.26 -5.04 116.67 116.76 3i6t s ASP 173 Ca 0.00 -1.22 -0.05 0.00 1.18 0.00 0.00 52.55 52.46 3i6t s ASP 173 Cb 0.00 0.57 0.22 0.00 -0.34 0.00 0.00 42.92 43.37 3i6t s ASP 173 CO 0.00 -1.13 1.73 -0.74 0.68 0.00 0.00 175.17 175.71 3i6t h HIS 174 N 2.28 1.02 -1.00 2.11 -0.00 -2.00 -2.40 115.15 115.17 3i6t h HIS 174 Ca -0.29 -0.14 0.03 0.00 -0.00 0.00 0.00 60.37 59.97 3i6t h HIS 174 Cb 1.25 -0.28 -0.06 0.00 -0.00 0.00 0.00 27.41 28.32 3i6t h HIS 174 CO 0.76 0.89 0.65 0.00 -0.00 0.00 0.00 177.93 180.23 3i6t h ALA 175 N 1.16 1.34 -0.84 5.26 0.00 -1.98 -0.65 119.26 123.54 3i6t h ALA 175 Ca 0.18 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3i6t h ALA 175 Cb 0.44 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3i6t h ALA 175 CO 0.02 0.58 0.55 0.35 0.00 0.00 0.00 179.25 180.74 3i6t h PHE 176 N 1.28 1.02 -0.06 0.00 3.57 -1.85 0.16 116.94 121.06 3i6t h PHE 176 Ca 0.39 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.86 3i6t h PHE 176 Cb -0.03 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.37 3i6t h PHE 176 CO -0.00 0.61 -0.17 -0.44 -2.23 0.00 0.00 178.31 176.08 3i6t h ASP 177 N 1.07 0.25 -0.65 0.41 3.32 -1.10 -2.62 116.42 117.10 3i6t h ASP 177 Ca 0.33 -0.60 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 3i6t h ASP 177 Cb -0.02 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3i6t h ASP 177 CO -0.09 0.80 0.26 0.24 -1.72 0.00 0.00 179.24 178.73 3i6t h MET 178 N -0.29 1.00 0.12 3.56 2.86 -0.97 -1.96 114.93 119.25 3i6t h MET 178 Ca -0.00 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.47 3i6t h MET 178 Cb 0.78 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 3i6t h MET 178 CO 0.04 0.82 -0.14 1.98 1.06 0.00 0.00 176.91 180.67 3i6t h MET 179 N 0.97 -0.28 -0.65 1.72 1.85 -0.73 -2.62 114.93 115.18 3i6t h MET 179 Ca 0.23 0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.29 3i6t h MET 179 Cb 0.20 0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.27 3i6t h MET 179 CO -0.02 -0.19 0.22 0.00 -0.40 0.00 0.00 176.91 176.52 3i6t h ARG 180 N -0.29 1.01 -0.25 0.39 3.08 -1.31 -2.05 114.38 114.95 3i6t h ARG 180 Ca 0.01 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.87 3i6t h ARG 180 Cb 0.29 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3i6t h ARG 180 CO -0.05 0.87 0.12 -0.07 -1.07 0.00 0.00 179.97 179.77 3i6t h LEU 181 N 0.94 0.17 -0.36 3.04 3.38 -1.30 -0.81 115.31 120.37 3i6t h LEU 181 Ca 0.21 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3i6t h LEU 181 Cb 0.27 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3i6t h LEU 181 CO -0.01 0.13 0.23 -0.08 0.09 0.00 0.00 178.44 178.80 3i6t h GLU 182 N 0.25 0.48 -0.51 1.13 4.81 -1.30 -1.54 114.58 117.91 3i6t h GLU 182 Ca 0.10 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3i6t h GLU 182 Cb 0.03 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3i6t h GLU 182 CO -0.08 0.34 0.29 -0.09 -0.73 0.00 0.00 179.01 178.75 3i6t h ARG 183 N 0.48 0.70 -0.32 1.92 9.65 -1.27 -1.18 114.38 124.37 3i6t h ARG 183 Ca 0.13 -0.07 -0.15 0.00 -1.10 0.00 0.00 59.98 58.79 3i6t h ARG 183 Cb -0.02 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.41 3i6t h ARG 183 CO -0.03 0.53 -0.39 -0.07 2.80 0.00 0.00 179.97 182.82 3i6t h LEU 184 N 0.67 0.80 -1.11 3.80 3.38 -0.91 0.36 115.31 122.30 3i6t h LEU 184 Ca 0.18 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 3i6t h LEU 184 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3i6t h LEU 184 CO -0.03 1.09 -0.18 0.03 0.09 0.00 0.00 178.44 179.44 3i6t h ARG 185 N 0.62 0.40 0.37 1.13 2.47 -1.22 0.25 114.38 118.40 3i6t h ARG 185 Ca 0.05 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 3i6t h ARG 185 Cb 0.93 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 3i6t h ARG 185 CO 0.09 0.58 -0.18 0.00 0.56 0.00 0.00 179.97 181.02 3i6t h ALA 186 N 1.44 -0.50 0.00 0.04 0.00 -0.80 -3.33 119.26 116.12 3i6t h ALA 186 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i6t h ALA 186 Cb 0.54 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3i6t h ALA 186 CO 0.04 -0.54 -1.04 -0.25 0.00 0.00 0.00 179.25 177.46 3i6t n ASP 187 N -5.13 0.70 -3.16 0.00 9.92 0.08 -4.43 116.55 114.53 3i6t n ASP 187 Ca -0.09 0.16 -0.20 0.00 -0.53 0.00 0.00 54.79 54.14 3i6t n ASP 187 Cb 0.27 0.61 -0.04 0.00 -0.64 0.00 0.00 41.12 41.32 3i6t n ASP 187 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3i6t n PHE 188 N -2.41 0.64 0.48 1.24 3.01 0.07 -4.97 117.46 115.52 3i6t n PHE 188 Ca 0.01 -3.82 0.10 0.00 1.01 0.00 0.00 57.45 54.75 3i6t n PHE 188 Cb 0.51 -0.42 0.43 0.00 -0.01 0.00 0.00 39.48 39.99 3i6t n PHE 188 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3i6t n PRO 189 N 0.33 0.12 0.00 -1.08 -0.04 -1.25 -2.41 135.00 130.68 3i6t n PRO 189 Ca 0.25 0.33 0.14 0.00 -0.04 0.00 0.00 63.50 64.18 3i6t n PRO 189 Cb 0.61 -1.72 0.66 0.00 -0.04 0.00 0.00 33.50 33.01 3i6t n PRO 189 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i6t n ALA 190 N -1.67 2.59 -2.24 0.55 0.00 -1.26 -4.88 120.51 113.60 3i6t n ALA 190 Ca 0.03 -0.18 -0.39 0.00 0.00 0.00 0.00 53.44 52.90 3i6t n ALA 190 Cb 0.23 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 3i6t n ALA 190 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3i6t s PHE 191 N -2.67 3.81 -0.37 0.00 0.40 -1.01 -4.95 117.98 113.19 3i6t s PHE 191 Ca 0.24 1.39 -0.29 0.00 -0.60 0.00 0.00 56.93 57.68 3i6t s PHE 191 Cb 0.20 -2.64 0.02 0.00 0.51 0.00 0.00 43.02 41.11 3i6t s PHE 191 CO 0.49 0.48 1.14 0.34 0.70 0.00 0.00 175.22 178.38 3i6t s ASP 192 N -0.81 6.77 -0.17 1.36 -1.08 -0.22 -4.99 116.67 117.53 3i6t s ASP 192 Ca 0.33 0.88 -0.05 0.00 -0.52 0.00 0.00 52.55 53.18 3i6t s ASP 192 Cb -0.20 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.68 3i6t s ASP 192 CO 0.21 -1.06 0.00 -0.63 0.52 0.00 0.00 175.17 174.22 3i6t s ILE 193 N 4.10 4.19 0.32 4.11 1.01 -1.26 -1.78 121.20 131.88 3i6t s ILE 193 Ca 0.49 -0.25 0.10 0.00 0.00 0.00 0.00 60.65 60.99 3i6t s ILE 193 Cb -0.11 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 3i6t s ILE 193 CO 0.23 0.47 -0.06 -0.13 0.00 0.00 0.00 174.94 175.44 3i6t s ARG 194 N 0.49 1.95 -0.02 2.79 3.00 -0.47 -0.70 118.95 125.98 3i6t s ARG 194 Ca -0.01 -1.77 0.05 0.00 0.00 0.00 0.00 55.73 54.00 3i6t s ARG 194 Cb -0.14 -1.86 -0.01 0.00 0.00 0.00 0.00 34.95 32.95 3i6t s ARG 194 CO 0.02 0.20 -0.16 0.08 0.00 0.00 0.00 175.30 175.44 3i6t s VAL 195 N -2.52 1.33 -0.10 3.52 1.01 -0.63 -0.63 120.40 122.38 3i6t s VAL 195 Ca 0.33 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 3i6t s VAL 195 Cb -0.01 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.28 3i6t s VAL 195 CO 0.18 0.38 -0.01 -0.62 0.00 0.00 0.00 175.10 175.03 3i6t s ASP 196 N -0.20 1.90 0.08 3.32 2.15 -0.04 -0.36 116.67 123.52 3i6t s ASP 196 Ca 0.02 -0.24 0.24 0.00 0.43 0.00 0.00 52.55 53.00 3i6t s ASP 196 Cb -0.08 -0.54 0.28 0.00 -0.30 0.00 0.00 42.92 42.28 3i6t s ASP 196 CO 0.00 -0.20 1.25 -1.22 -0.17 0.00 0.00 175.17 174.83 3i6t n TYR 197 N 5.09 0.37 -3.96 -5.34 4.02 -0.84 -0.95 117.16 115.56 3i6t n TYR 197 Ca -0.08 0.11 -0.29 0.00 -0.01 0.00 0.00 57.90 57.63 3i6t n TYR 197 Cb 0.50 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 3i6t n TYR 197 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3i6t n ASN 198 N -1.96 -2.71 -0.61 7.72 4.13 -1.21 -0.94 115.26 119.67 3i6t n ASN 198 Ca 0.03 -0.89 -0.08 0.00 1.68 0.00 0.00 54.58 55.32 3i6t n ASN 198 Cb 0.42 -3.46 -0.03 0.00 -1.54 0.00 0.00 39.78 35.17 3i6t n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i6t n GLN 199 N -4.47 -0.81 0.00 3.52 6.02 -0.09 -4.91 117.38 116.64 3i6t n GLN 199 Ca -0.10 0.72 0.13 0.00 -0.01 0.00 0.00 57.00 57.74 3i6t n GLN 199 Cb 0.58 -4.62 0.46 0.00 1.02 0.00 0.00 30.24 27.68 3i6t n GLN 199 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i6t n GLY 200 N -1.50 -0.85 3.66 1.08 0.00 -0.12 -4.01 105.19 103.45 3i6t n GLY 200 Ca -0.08 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 3i6t n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6t s LEU 201 N -2.58 4.13 0.45 0.99 1.43 0.14 -4.94 118.68 118.31 3i6t s LEU 201 Ca 0.24 0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 53.47 3i6t s LEU 201 Cb 0.19 -2.40 -0.07 0.00 0.03 0.00 0.00 46.19 43.94 3i6t s LEU 201 CO 0.53 -0.06 1.29 -2.28 0.23 0.00 0.00 176.35 176.06 3i6t s HIS 202 N 1.38 2.68 0.58 0.29 5.65 -1.26 -4.42 115.29 120.18 3i6t s HIS 202 Ca 0.15 1.42 0.27 0.00 0.25 0.00 0.00 55.06 57.16 3i6t s HIS 202 Cb -0.15 -3.65 1.65 0.00 -1.18 0.00 0.00 32.58 29.26 3i6t s HIS 202 CO 0.07 -2.20 2.17 1.12 -0.65 0.00 0.00 174.74 175.25 3i6t h HIS 203 N 2.22 0.00 -0.74 3.88 2.07 -1.97 -1.27 115.15 119.34 3i6t h HIS 203 Ca -0.50 0.00 0.13 0.00 -2.85 0.00 0.00 60.37 57.15 3i6t h HIS 203 Cb 1.26 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.19 3i6t h HIS 203 CO 0.51 0.00 0.49 -0.44 -3.07 0.00 0.00 177.93 175.42 3i6t h ASP 204 N 0.00 0.45 0.00 3.10 3.32 -2.04 -3.28 116.42 117.97 3i6t h ASP 204 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3i6t h ASP 204 Cb 0.24 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3i6t h ASP 204 CO -0.00 0.25 0.00 1.33 -1.72 0.00 0.00 179.24 179.10 3i6t n VAL 205 N -4.49 0.00 -0.07 -1.35 0.24 -0.57 -4.89 118.33 107.20 3i6t n VAL 205 Ca 0.13 -0.42 -0.08 0.00 -2.04 0.00 0.00 64.34 61.93 3i6t n VAL 205 Cb 0.45 1.06 -0.01 0.00 -1.47 0.00 0.00 33.84 33.87 3i6t n VAL 205 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i6t h ALA 206 N 0.00 0.31 -0.31 2.33 0.00 -1.38 -2.35 119.26 117.87 3i6t h ALA 206 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3i6t h ALA 206 Cb 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3i6t h ALA 206 CO 0.00 -0.29 0.15 1.25 0.00 0.00 0.00 179.25 180.36 3i6t h LEU 207 N 0.24 0.23 -0.57 0.00 5.85 -1.88 -1.04 115.31 118.14 3i6t h LEU 207 Ca 0.12 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3i6t h LEU 207 Cb 0.07 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3i6t h LEU 207 CO -0.11 0.17 0.32 0.00 -0.34 0.00 0.00 178.44 178.49 3i6t h ALA 208 N 1.16 0.74 -0.10 1.25 0.00 -1.83 -0.33 119.26 120.14 3i6t h ALA 208 Ca 0.13 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 3i6t h ALA 208 Cb 0.04 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.72 3i6t h ALA 208 CO -0.08 0.00 -0.86 0.00 0.00 0.00 0.00 179.25 178.30 3i6t h ARG 209 N 0.61 0.75 -0.67 0.00 3.08 -1.22 -1.25 114.38 115.68 3i6t h ARG 209 Ca 0.24 -0.67 0.01 0.00 0.07 0.00 0.00 59.98 59.63 3i6t h ARG 209 Cb 0.11 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3i6t h ARG 209 CO -0.14 1.27 0.44 0.28 -1.07 0.00 0.00 179.97 180.74 3i6t h VAL 210 N 0.49 1.15 -0.77 2.04 2.07 -1.06 -0.61 116.25 119.57 3i6t h VAL 210 Ca -0.08 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3i6t h VAL 210 Cb 1.50 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3i6t h VAL 210 CO 0.17 0.16 0.35 -0.09 0.02 0.00 0.00 177.57 178.19 3i6t h ARG 211 N 0.89 1.12 0.29 1.57 2.43 -0.89 -1.10 114.38 118.69 3i6t h ARG 211 Ca 0.25 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3i6t h ARG 211 Cb -0.08 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.28 3i6t h ARG 211 CO -0.06 0.89 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.70 3i6t h ASP 212 N 1.09 -0.33 0.55 -3.80 3.45 -0.83 -2.86 116.42 113.69 3i6t h ASP 212 Ca 0.26 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.68 3i6t h ASP 212 Cb 0.15 0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 39.00 3i6t h ASP 212 CO -0.03 -0.22 -0.15 -0.37 -1.57 0.00 0.00 179.24 176.90 3i6t h VAL 213 N -0.42 0.54 0.00 -1.35 -1.51 -1.02 -2.21 116.25 110.28 3i6t h VAL 213 Ca -0.04 -0.72 -0.01 0.00 -1.23 0.00 0.00 66.70 64.70 3i6t h VAL 213 Cb 0.32 1.48 -0.00 0.00 -2.13 0.00 0.00 31.29 30.96 3i6t h VAL 213 CO 0.07 0.15 -0.05 0.00 -1.23 0.00 0.00 177.57 176.50 3i6t h ALA 214 N 1.85 1.14 0.00 5.19 0.00 -0.96 -1.93 119.26 124.55 3i6t h ALA 214 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i6t h ALA 214 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i6t h ALA 214 CO 0.02 0.06 0.00 1.79 0.00 0.00 0.00 179.25 181.12 3i6t h THR 215 N 0.00 0.00 -0.47 0.00 1.35 -1.37 -0.59 112.91 111.83 3i6t h THR 215 Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3i6t h THR 215 Cb 0.27 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 3i6t h THR 215 CO 0.01 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.77 3i6t n PHE 216 N -2.71 0.62 -3.99 4.73 3.01 -0.72 -4.96 117.46 113.44 3i6t n PHE 216 Ca -0.02 -0.31 -0.33 0.00 1.01 0.00 0.00 57.45 57.81 3i6t n PHE 216 Cb 0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.55 3i6t n PHE 216 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3i6t n LYS 217 N 0.89 -0.60 -1.19 -1.08 5.02 -0.23 -4.92 118.16 116.06 3i6t n LYS 217 Ca 0.16 -0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 56.09 3i6t n LYS 217 Cb 0.40 -2.16 0.11 0.00 -0.02 0.00 0.00 35.03 33.36 3i6t n LYS 217 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3i6t n PRO 218 N -4.08 0.27 -0.25 1.97 -0.04 -1.26 -4.88 135.00 126.73 3i6t n PRO 218 Ca -0.16 0.16 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 3i6t n PRO 218 Cb 0.49 -2.24 0.05 0.00 -0.04 0.00 0.00 33.50 31.75 3i6t n PRO 218 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3i6t h THR 219 N -0.67 1.24 -3.77 0.52 2.02 -1.27 -3.45 112.91 107.55 3i6t h THR 219 Ca -0.46 -0.74 -0.09 0.00 0.77 0.00 0.00 66.41 65.89 3i6t h THR 219 Cb 1.32 0.43 -0.13 0.00 -1.74 0.00 0.00 68.15 68.02 3i6t h THR 219 CO 0.45 0.30 -0.30 0.72 0.37 0.00 0.00 175.52 177.06 3i6t s PHE 220 N -5.59 0.19 -0.21 3.16 -0.71 -1.26 -4.30 117.98 109.26 3i6t s PHE 220 Ca -0.13 -0.58 -0.02 0.00 -1.04 0.00 0.00 56.93 55.17 3i6t s PHE 220 Cb 0.14 -0.00 0.01 0.00 -1.21 0.00 0.00 43.02 41.96 3i6t s PHE 220 CO 0.81 -0.64 -0.10 0.42 -1.34 0.00 0.00 175.22 174.38 3i6t s ILE 221 N -3.89 2.88 -0.15 -4.49 1.01 -0.35 -1.61 121.20 114.60 3i6t s ILE 221 Ca 0.09 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 3i6t s ILE 221 Cb 0.04 -2.31 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 3i6t s ILE 221 CO -0.07 0.43 0.23 -0.70 0.00 0.00 0.00 174.94 174.83 3i6t s GLU 222 N 1.40 4.03 -0.50 2.79 2.12 0.52 -0.69 118.70 128.37 3i6t s GLU 222 Ca 0.05 -0.00 -0.03 0.00 0.36 0.00 0.00 54.97 55.35 3i6t s GLU 222 Cb -0.14 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.90 3i6t s GLU 222 CO -0.07 0.42 0.39 0.94 -0.54 0.00 0.00 175.26 176.40 3i6t n GLN 223 N 3.04 -1.01 0.08 4.30 -0.06 0.83 -1.98 117.38 122.57 3i6t n GLN 223 Ca -0.15 0.52 0.00 0.00 -2.00 0.00 0.00 57.00 55.37 3i6t n GLN 223 Cb 0.53 -1.39 0.31 0.00 -4.06 0.00 0.00 30.24 25.62 3i6t n GLN 223 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3i6t h PRO 224 N 0.29 0.31 -5.46 3.69 0.13 -1.87 -0.19 132.00 128.90 3i6t h PRO 224 Ca -0.41 -0.10 -0.64 0.00 -0.87 0.00 0.00 66.00 63.99 3i6t h PRO 224 Cb 0.90 -0.03 -0.13 0.00 0.13 0.00 0.00 31.00 31.87 3i6t h PRO 224 CO 0.23 0.51 -0.57 0.14 -0.23 0.00 0.00 178.00 178.08 3i6t s VAL 225 N -4.57 1.63 0.56 1.56 -7.23 -1.26 -0.68 120.40 110.41 3i6t s VAL 225 Ca -0.06 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 57.91 3i6t s VAL 225 Cb 0.15 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 3i6t s VAL 225 CO 0.76 0.00 1.21 0.29 -0.31 0.00 0.00 175.10 177.05 3i6t n LYS 226 N -1.05 1.38 -0.30 4.82 5.02 -1.26 -4.28 118.16 122.49 3i6t n LYS 226 Ca -0.10 0.51 0.18 0.00 -2.02 0.00 0.00 58.31 56.89 3i6t n LYS 226 Cb 0.67 -2.41 0.45 0.00 -0.02 0.00 0.00 35.03 33.72 3i6t n LYS 226 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i6t h ALA 227 N 1.09 2.04 0.00 7.82 0.00 -1.92 -1.66 119.26 126.63 3i6t h ALA 227 Ca -0.50 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3i6t h ALA 227 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3i6t h ALA 227 CO 0.55 -0.39 0.00 -2.39 0.00 0.00 0.00 179.25 177.01 3i6t n HIS 228 N -4.63 0.00 -1.76 0.00 1.44 -1.26 -4.26 115.22 104.75 3i6t n HIS 228 Ca 0.22 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.58 3i6t n HIS 228 Cb 0.71 -0.48 -0.03 0.00 0.12 0.00 0.00 29.99 30.31 3i6t n HIS 228 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3i6t n LEU 229 N -1.48 7.60 0.11 2.39 4.77 -0.62 -4.65 117.00 125.11 3i6t n LEU 229 Ca 0.07 -4.56 -0.04 0.00 -0.03 0.00 0.00 56.01 51.45 3i6t n LEU 229 Cb 0.33 -1.35 0.08 0.00 -2.33 0.00 0.00 43.42 40.15 3i6t n LEU 229 CO 0.26 1.97 0.39 0.03 -1.33 0.00 0.00 177.39 178.70 3i6t h ARG 230 N 4.16 0.08 -0.62 3.23 3.08 -1.82 -1.00 114.38 121.49 3i6t h ARG 230 Ca 0.62 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.58 3i6t h ARG 230 Cb 0.46 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3i6t h ARG 230 CO 1.30 0.77 0.33 0.78 -1.07 0.00 0.00 179.97 182.08 3i6t h GLY 231 N 1.97 0.94 1.07 0.04 0.00 -1.97 -1.73 103.07 103.38 3i6t h GLY 231 Ca -0.01 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 3i6t h GLY 231 CO 0.10 0.42 -0.01 -2.00 0.00 0.00 0.00 176.54 175.05 3i6t h LEU 232 N 0.85 1.01 -0.59 3.11 5.85 -1.87 -1.77 115.31 121.90 3i6t h LEU 232 Ca 0.22 -0.31 0.12 0.00 0.84 0.00 0.00 57.88 58.74 3i6t h LEU 232 Cb 0.06 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 40.73 3i6t h LEU 232 CO -0.03 1.07 0.07 0.24 -0.34 0.00 0.00 178.44 179.45 3i6t h MET 233 N 0.91 0.18 -0.93 1.25 2.86 -1.03 -0.71 114.93 117.46 3i6t h MET 233 Ca 0.16 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3i6t h MET 233 Cb 0.56 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.13 3i6t h MET 233 CO 0.03 0.12 0.56 0.00 1.06 0.00 0.00 176.91 178.68 3i6t h ALA 234 N 1.50 1.24 -0.67 6.32 0.00 -0.90 0.84 119.26 127.59 3i6t h ALA 234 Ca 0.31 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3i6t h ALA 234 Cb 0.48 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3i6t h ALA 234 CO -0.44 0.65 0.25 0.00 0.00 0.00 0.00 179.25 179.71 3i6t h ARG 235 N 1.28 1.01 -0.45 0.00 3.08 -0.62 -2.27 114.38 116.42 3i6t h ARG 235 Ca 0.33 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 60.08 3i6t h ARG 235 Cb -0.06 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3i6t h ARG 235 CO -0.06 0.85 -0.17 0.82 -1.07 0.00 0.00 179.97 180.34 3i6t h ILE 236 N 0.95 1.27 -0.53 2.04 2.04 -0.56 -1.46 117.51 121.27 3i6t h ILE 236 Ca 0.22 -1.30 0.07 0.00 1.00 0.00 0.00 64.86 64.86 3i6t h ILE 236 Cb 0.23 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 3i6t h ILE 236 CO -0.02 0.44 0.19 -0.09 0.00 0.00 0.00 178.15 178.67 3i6t h ARG 237 N 0.76 0.35 0.00 2.37 2.43 -0.60 -2.03 114.38 117.67 3i6t h ARG 237 Ca 0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3i6t h ARG 237 Cb 0.70 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3i6t h ARG 237 CO 0.05 0.23 -0.10 -0.25 -1.51 0.00 0.00 179.97 178.39 3i6t n ASP 238 N -5.01 0.37 0.01 -3.80 8.00 -0.88 -3.91 116.55 111.34 3i6t n ASP 238 Ca 0.06 0.41 0.02 0.00 0.71 0.00 0.00 54.79 55.99 3i6t n ASP 238 Cb 0.22 -0.46 -0.10 0.00 -0.02 0.00 0.00 41.12 40.76 3i6t n ASP 238 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i6t n ALA 239 N -1.62 2.08 -2.67 2.24 0.00 -0.58 -4.93 120.51 115.02 3i6t n ALA 239 Ca 0.06 -0.62 -0.29 0.00 0.00 0.00 0.00 53.44 52.60 3i6t n ALA 239 Cb 0.38 -0.83 -0.16 0.00 0.00 0.00 0.00 19.45 18.83 3i6t n ALA 239 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i6t s VAL 240 N -3.01 1.77 0.29 0.00 1.01 -1.08 -5.04 120.40 114.33 3i6t s VAL 240 Ca -0.04 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.05 3i6t s VAL 240 Cb 0.09 -1.49 0.05 0.00 0.00 0.00 0.00 36.38 35.03 3i6t s VAL 240 CO 0.83 0.50 1.71 0.44 0.00 0.00 0.00 175.10 178.57 3i6t h ASP 241 N 5.96 0.39 -3.18 3.32 3.32 -1.91 -3.44 116.42 120.87 3i6t h ASP 241 Ca -0.35 -0.14 -0.53 0.00 0.02 0.00 0.00 57.03 56.03 3i6t h ASP 241 Cb 1.16 -0.11 0.06 0.00 0.22 0.00 0.00 39.33 40.66 3i6t h ASP 241 CO 0.47 0.70 0.83 -0.69 -1.72 0.00 0.00 179.24 178.83 3i6t s VAL 242 N -4.34 2.53 0.24 -1.35 1.01 -1.26 -4.93 120.40 112.30 3i6t s VAL 242 Ca -0.06 0.42 -0.31 0.00 0.00 0.00 0.00 61.98 62.03 3i6t s VAL 242 Cb 0.14 -3.27 -0.14 0.00 0.00 0.00 0.00 36.38 33.11 3i6t s VAL 242 CO 0.78 0.06 1.34 -2.65 0.00 0.00 0.00 175.10 174.62 3i6t n PRO 243 N 2.87 1.85 -3.66 2.72 -0.02 -1.26 -4.83 135.00 132.67 3i6t n PRO 243 Ca 0.09 0.66 -0.35 0.00 -2.02 0.00 0.00 63.50 61.88 3i6t n PRO 243 Cb 0.39 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 3i6t n PRO 243 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i6t s LEU 244 N 0.15 4.22 -0.14 2.45 2.96 -1.26 -1.21 118.68 125.84 3i6t s LEU 244 Ca 0.68 0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 54.88 3i6t s LEU 244 Cb -0.68 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 3i6t s LEU 244 CO 0.51 0.15 -0.05 -0.22 -1.32 0.00 0.00 176.35 175.42 3i6t s LEU 245 N 0.41 3.16 0.06 -0.68 2.96 0.14 -1.06 118.68 123.67 3i6t s LEU 245 Ca 0.11 -0.15 -0.19 0.00 -0.22 0.00 0.00 54.13 53.68 3i6t s LEU 245 Cb -0.12 -1.75 -0.06 0.00 0.50 0.00 0.00 46.19 44.76 3i6t s LEU 245 CO -0.00 0.19 0.57 0.00 -1.32 0.00 0.00 176.35 175.78 3i6t s ALA 246 N 0.23 3.58 0.00 5.97 0.00 0.07 -0.12 121.76 131.49 3i6t s ALA 246 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3i6t s ALA 246 Cb -0.14 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.34 3i6t s ALA 246 CO 0.03 0.37 0.00 -3.47 0.00 0.00 0.00 175.76 172.69 3i6t n ASP 247 N 1.87 0.00 0.31 0.00 2.03 -1.26 -0.65 116.55 118.85 3i6t n ASP 247 Ca -0.10 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.39 3i6t n ASP 247 Cb 0.51 0.00 0.99 0.00 -0.72 0.00 0.00 41.12 41.90 3i6t n ASP 247 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3i6t h GLU 248 N 0.00 0.00 0.00 -0.67 3.07 -1.94 -1.48 114.58 113.56 3i6t h GLU 248 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i6t h GLU 248 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3i6t h GLU 248 CO 0.00 0.02 0.00 0.77 -1.40 0.00 0.00 179.01 178.40 3i6t h SER 249 N 0.00 0.00 -3.27 1.42 0.02 -1.90 -3.41 113.55 106.41 3i6t h SER 249 Ca -0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 3i6t h SER 249 Cb 0.08 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.23 3i6t h SER 249 CO 0.00 0.00 -0.77 -0.63 -1.14 0.00 0.00 176.83 174.29 3i6t s ILE 250 N -3.73 0.54 -0.15 3.27 1.01 -0.56 -4.96 121.20 116.62 3i6t s ILE 250 Ca 0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.17 3i6t s ILE 250 Cb 0.10 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 3i6t s ILE 250 CO 0.49 -0.03 -0.24 0.49 0.00 0.00 0.00 174.94 175.65 3i6t n PHE 251 N 5.06 0.59 -3.99 3.97 0.99 -1.26 -4.81 117.46 118.01 3i6t n PHE 251 Ca -0.09 0.25 0.00 0.00 -0.00 0.00 0.00 57.45 57.62 3i6t n PHE 251 Cb 0.48 -0.67 0.00 0.00 -1.00 0.00 0.00 39.48 38.30 3i6t n PHE 251 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i6t n GLY 252 N 1.56 4.15 0.29 1.37 0.00 -1.26 -3.01 105.19 108.29 3i6t n GLY 252 Ca -0.09 -1.94 0.11 0.00 0.00 0.00 0.00 46.02 44.10 3i6t n GLY 252 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i6t h PRO 253 N 0.00 0.00 -0.17 1.61 0.11 -1.92 -1.83 132.00 129.80 3i6t h PRO 253 Ca 0.00 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.05 3i6t h PRO 253 Cb 0.00 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3i6t h PRO 253 CO 0.00 0.00 -0.11 0.93 -0.21 0.00 0.00 178.00 178.61 3i6t h GLU 254 N 0.00 0.37 -0.76 1.05 3.07 -1.98 0.23 114.58 116.56 3i6t h GLU 254 Ca 0.06 -0.17 0.01 0.00 -0.50 0.00 0.00 59.36 58.76 3i6t h GLU 254 Cb 0.25 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.12 3i6t h GLU 254 CO -0.00 0.70 0.50 -0.44 -1.40 0.00 0.00 179.01 178.38 3i6t h ASP 255 N 0.04 0.87 -0.63 1.42 3.32 -1.87 -0.02 116.42 119.54 3i6t h ASP 255 Ca 0.03 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3i6t h ASP 255 Cb 0.61 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3i6t h ASP 255 CO 0.03 0.63 0.37 -0.03 -1.72 0.00 0.00 179.24 178.52 3i6t h MET 256 N 1.02 0.86 -0.73 3.56 4.05 -1.18 -0.49 114.93 122.02 3i6t h MET 256 Ca 0.28 -0.08 -0.05 0.00 -0.28 0.00 0.00 59.70 59.57 3i6t h MET 256 Cb -0.11 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.48 3i6t h MET 256 CO -0.07 0.62 0.25 0.00 0.23 0.00 0.00 176.91 177.94 3i6t h ALA 257 N 1.19 0.95 -0.05 0.39 0.00 -0.62 -3.15 119.26 117.97 3i6t h ALA 257 Ca 0.22 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3i6t h ALA 257 Cb -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3i6t h ALA 257 CO -0.04 0.62 -0.62 0.93 0.00 0.00 0.00 179.25 180.14 3i6t h GLU 258 N 1.07 0.17 -2.18 0.00 5.08 -0.67 -3.39 114.58 114.65 3i6t h GLU 258 Ca 0.24 -0.12 -0.57 0.00 -1.00 0.00 0.00 59.36 57.91 3i6t h GLU 258 Cb 0.28 0.02 -0.41 0.00 0.50 0.00 0.00 28.75 29.13 3i6t h GLU 258 CO -0.01 0.73 -0.77 0.72 -1.00 0.00 0.00 179.01 178.68 3i6t n HIS 259 N -3.85 2.84 0.25 4.33 8.25 -0.22 -4.96 115.22 121.86 3i6t n HIS 259 Ca -0.02 -3.96 0.13 0.00 -0.26 0.00 0.00 57.72 53.61 3i6t n HIS 259 Cb 0.62 -0.48 0.58 0.00 1.12 0.00 0.00 29.99 31.84 3i6t n HIS 259 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3i6t h PRO 260 N 3.38 0.00 0.00 -0.41 0.13 -1.76 -3.28 132.00 130.06 3i6t h PRO 260 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3i6t h PRO 260 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3i6t h PRO 260 CO 0.73 0.12 -0.03 0.39 -0.23 0.00 0.00 178.00 178.99 3i6t n GLU 261 N -3.29 1.81 0.07 0.86 -0.58 -1.26 -4.72 120.64 113.53 3i6t n GLU 261 Ca 0.00 -2.00 0.13 0.00 -0.42 0.00 0.00 57.16 54.86 3i6t n GLU 261 Cb 0.36 -1.22 0.47 0.00 -0.57 0.00 0.00 31.44 30.48 3i6t n GLU 261 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3i6t n ILE 262 N -0.95 0.49 -3.91 -3.67 -5.35 -1.24 -4.72 119.36 100.02 3i6t n ILE 262 Ca 0.08 -0.07 -0.08 0.00 -0.27 0.00 0.00 62.75 62.42 3i6t n ILE 262 Cb 0.49 -0.69 -0.03 0.00 -1.74 0.00 0.00 39.64 37.67 3i6t n ILE 262 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i6t s ALA 263 N -3.09 -0.85 -0.89 -1.28 0.00 -1.26 -3.43 121.76 110.95 3i6t s ALA 263 Ca 0.10 -0.53 0.26 0.00 0.00 0.00 0.00 51.96 51.79 3i6t s ALA 263 Cb 0.14 0.92 0.71 0.00 0.00 0.00 0.00 23.12 24.88 3i6t s ALA 263 CO 0.51 -0.97 1.57 -0.25 0.00 0.00 0.00 175.76 176.63 3i6t n ASP 264 N -0.47 0.44 -3.60 0.00 8.00 -0.23 -4.98 116.55 115.71 3i6t n ASP 264 Ca -0.03 0.13 -0.00 0.00 0.71 0.00 0.00 54.79 55.59 3i6t n ASP 264 Cb 0.60 -0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.62 3i6t n ASP 264 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3i6t s GLY 265 N -3.21 -0.12 0.01 0.44 0.00 -1.02 -1.04 107.32 102.37 3i6t s GLY 265 Ca 0.11 0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.91 3i6t s GLY 265 CO 0.65 2.45 -0.07 -1.34 0.00 0.00 0.00 173.10 174.79 3i6t s VAL 266 N -2.34 0.53 -0.23 1.40 -7.23 -0.20 -0.75 120.40 111.58 3i6t s VAL 266 Ca 0.21 -0.45 -0.26 0.00 -1.81 0.00 0.00 61.98 59.67 3i6t s VAL 266 Cb -0.00 -0.48 -0.00 0.00 0.56 0.00 0.00 36.38 36.46 3i6t s VAL 266 CO 0.01 0.04 0.89 -0.55 -0.31 0.00 0.00 175.10 175.18 3i6t s SER 267 N -0.45 6.92 -0.28 4.85 0.15 0.18 -1.20 113.70 123.87 3i6t s SER 267 Ca 0.00 1.14 -0.14 0.00 0.70 0.00 0.00 55.95 57.65 3i6t s SER 267 Cb -0.04 -2.47 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 3i6t s SER 267 CO -0.00 -0.54 0.35 -0.63 1.20 0.00 0.00 173.24 173.62 3i6t s ILE 268 N 2.85 5.19 -0.05 6.45 -1.09 0.47 -4.82 121.20 130.20 3i6t s ILE 268 Ca 0.38 0.49 0.01 0.00 -2.23 0.00 0.00 60.65 59.30 3i6t s ILE 268 Cb -0.15 -3.68 0.02 0.00 -1.58 0.00 0.00 42.46 37.06 3i6t s ILE 268 CO 0.08 0.15 -0.06 -0.54 -1.23 0.00 0.00 174.94 173.34 3i6t s LYS 269 N 2.03 0.99 0.53 2.79 1.02 -1.26 -1.35 119.74 124.49 3i6t s LYS 269 Ca 0.14 -0.15 0.26 0.00 0.02 0.00 0.00 55.97 56.24 3i6t s LYS 269 Cb -0.16 -0.98 1.48 0.00 -0.52 0.00 0.00 37.83 37.65 3i6t s LYS 269 CO 0.10 -0.09 2.11 -0.84 -0.92 0.00 0.00 175.35 175.71 3i6t h ILE 270 N 6.13 0.66 0.00 2.17 3.07 -1.86 -0.94 117.51 126.73 3i6t h ILE 270 Ca -0.35 -0.39 -0.03 0.00 1.55 0.00 0.00 64.86 65.65 3i6t h ILE 270 Cb 1.15 1.24 -0.00 0.00 -0.27 0.00 0.00 36.82 38.94 3i6t h ILE 270 CO 0.45 0.09 -0.15 0.24 -1.05 0.00 0.00 178.15 177.74 3i6t h MET 271 N 0.00 0.00 0.13 0.16 2.86 -1.90 -1.15 114.93 115.03 3i6t h MET 271 Ca -0.00 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.34 3i6t h MET 271 Cb 0.23 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 3i6t h MET 271 CO 0.01 0.15 -1.54 0.87 1.06 0.00 0.00 176.91 177.46 3i6t h LYS 272 N 0.00 0.27 0.00 1.72 1.57 -1.62 -3.05 116.57 115.46 3i6t h LYS 272 Ca -0.00 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3i6t h LYS 272 Cb 0.89 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3i6t h LYS 272 CO 0.02 1.22 0.00 -1.13 -0.57 0.00 0.00 179.45 178.99 3i6t n SER 273 N -3.83 0.68 -0.07 0.86 3.41 -0.44 -4.37 113.62 109.86 3i6t n SER 273 Ca -0.26 0.60 -0.01 0.00 -0.26 0.00 0.00 58.87 58.94 3i6t n SER 273 Cb 0.94 -0.77 -0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3i6t n SER 273 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i6t n GLY 274 N 0.86 0.41 0.00 5.00 0.00 -0.48 -4.68 105.19 106.30 3i6t n GLY 274 Ca 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3i6t n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6t n GLY 275 N -2.38 1.23 0.07 -0.02 0.00 -0.92 -3.29 105.19 99.89 3i6t n GLY 275 Ca -0.01 -1.59 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 3i6t n GLY 275 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i6t h LEU 276 N 0.00 0.08 -0.45 0.99 4.07 -1.88 -2.69 115.31 115.44 3i6t h LEU 276 Ca 0.00 -0.75 0.06 0.00 0.08 0.00 0.00 57.88 57.26 3i6t h LEU 276 Cb 0.00 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 41.67 3i6t h LEU 276 CO 0.00 0.82 0.16 0.74 -1.08 0.00 0.00 178.44 179.08 3i6t h THR 277 N -0.66 0.86 -0.17 0.22 2.02 -1.97 -2.11 112.91 111.10 3i6t h THR 277 Ca -0.01 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 3i6t h THR 277 Cb 0.83 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3i6t h THR 277 CO 0.02 0.06 -0.26 0.03 0.37 0.00 0.00 175.52 175.73 3i6t h ARG 278 N 0.33 0.32 -0.63 6.66 3.08 -1.85 -1.70 114.38 120.59 3i6t h ARG 278 Ca 0.21 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3i6t h ARG 278 Cb 0.21 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3i6t h ARG 278 CO -0.21 0.57 0.23 0.00 -1.07 0.00 0.00 179.97 179.48 3i6t h ALA 279 N 1.44 0.83 -0.44 0.04 0.00 -1.09 -1.62 119.26 118.41 3i6t h ALA 279 Ca 0.04 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3i6t h ALA 279 Cb 0.62 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3i6t h ALA 279 CO 0.04 0.47 0.20 1.96 0.00 0.00 0.00 179.25 181.92 3i6t h GLN 280 N 0.90 0.38 -0.49 0.00 4.20 -0.84 -2.13 115.11 117.14 3i6t h GLN 280 Ca 0.21 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.93 3i6t h GLN 280 Cb 0.25 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 3i6t h GLN 280 CO -0.01 0.25 0.27 1.15 -0.67 0.00 0.00 178.83 179.82 3i6t h THR 281 N 0.40 1.00 -0.37 -0.54 2.02 -1.06 0.11 112.91 114.46 3i6t h THR 281 Ca 0.20 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.25 3i6t h THR 281 Cb 0.14 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 3i6t h THR 281 CO -0.16 0.10 0.07 0.58 0.37 0.00 0.00 175.52 176.48 3i6t h VAL 282 N 0.52 0.82 -0.81 3.16 2.07 -1.04 0.66 116.25 121.63 3i6t h VAL 282 Ca 0.21 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3i6t h VAL 282 Cb 0.08 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3i6t h VAL 282 CO -0.13 0.04 0.48 0.00 0.02 0.00 0.00 177.57 177.98 3i6t h ALA 283 N 1.27 1.04 -0.51 1.67 0.00 -0.77 -0.35 119.26 121.62 3i6t h ALA 283 Ca 0.17 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3i6t h ALA 283 Cb 0.20 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3i6t h ALA 283 CO -0.23 0.51 -0.16 0.00 0.00 0.00 0.00 179.25 179.38 3i6t h ARG 284 N 1.12 0.99 -0.57 0.00 3.08 -0.57 -0.34 114.38 118.09 3i6t h ARG 284 Ca 0.29 -0.39 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 3i6t h ARG 284 Cb -0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3i6t h ARG 284 CO -0.05 1.06 0.04 0.52 -1.07 0.00 0.00 179.97 180.47 3i6t h MET 285 N 0.87 0.99 0.12 0.04 2.86 -0.44 -1.67 114.93 117.69 3i6t h MET 285 Ca 0.13 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 3i6t h MET 285 Cb 0.72 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3i6t h MET 285 CO 0.06 0.97 -0.06 0.00 1.06 0.00 0.00 176.91 178.93 3i6t h ALA 286 N 0.98 -0.16 -0.12 6.32 0.00 -0.90 -3.06 119.26 122.32 3i6t h ALA 286 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3i6t h ALA 286 Cb 0.50 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3i6t h ALA 286 CO 0.02 -0.57 -0.02 0.00 0.00 0.00 0.00 179.25 178.69 3i6t h ALA 287 N 0.67 1.75 0.00 0.00 0.00 -0.79 -1.30 119.26 119.59 3i6t h ALA 287 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3i6t h ALA 287 Cb 0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i6t h ALA 287 CO 0.03 0.19 -0.04 0.00 0.00 0.00 0.00 179.25 179.43 3i6t h ALA 288 N 1.82 1.53 -0.22 0.00 0.00 -1.20 -1.57 119.26 119.62 3i6t h ALA 288 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i6t h ALA 288 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3i6t h ALA 288 CO 0.00 0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.84 3i6t n ARG 289 N -3.91 2.26 -1.53 0.00 1.74 -0.93 -5.00 116.66 109.29 3i6t n ARG 289 Ca -0.03 -1.74 0.00 0.00 -0.77 0.00 0.00 57.85 55.31 3i6t n ARG 289 Cb 0.13 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3i6t n ARG 289 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i6t n GLY 290 N 0.39 0.62 3.89 -0.13 0.00 -0.59 -5.07 105.19 104.31 3i6t n GLY 290 Ca 0.09 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 3i6t n GLY 290 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6t s LEU 291 N 0.00 4.36 0.66 0.99 1.43 -0.53 -4.98 118.68 120.60 3i6t s LEU 291 Ca 0.00 0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.48 3i6t s LEU 291 Cb 0.00 -2.70 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 3i6t s LEU 291 CO 0.00 0.24 1.05 -0.44 0.23 0.00 0.00 176.35 177.43 3i6t s SER 292 N -1.85 5.75 -0.02 2.29 0.01 -0.20 -3.52 113.70 116.16 3i6t s SER 292 Ca 0.29 1.19 0.02 0.00 1.31 0.00 0.00 55.95 58.75 3i6t s SER 292 Cb -0.13 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.00 3i6t s SER 292 CO 0.18 -1.13 -0.06 0.00 0.41 0.00 0.00 173.24 172.64 3i6t s ALA 293 N -3.25 0.57 0.02 1.44 0.00 -1.26 -1.04 121.76 118.25 3i6t s ALA 293 Ca 0.56 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.38 3i6t s ALA 293 Cb -0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3i6t s ALA 293 CO 0.52 0.09 -0.15 -0.47 0.00 0.00 0.00 175.76 175.74 3i6t s TYR 294 N 0.19 1.36 -1.08 0.00 5.04 -0.35 -2.93 117.35 119.59 3i6t s TYR 294 Ca -0.02 -0.32 -0.18 0.00 -2.44 0.00 0.00 57.07 54.10 3i6t s TYR 294 Cb -0.06 -0.83 0.11 0.00 0.35 0.00 0.00 41.96 41.53 3i6t s TYR 294 CO -0.00 0.03 1.38 0.20 -1.34 0.00 0.00 175.55 175.82 3i6t s GLY 295 N -0.90 1.83 0.89 8.97 0.00 -0.07 -0.39 107.32 117.65 3i6t s GLY 295 Ca 0.04 -2.81 -0.14 0.00 0.00 0.00 0.00 44.72 41.81 3i6t s GLY 295 CO 0.01 2.31 1.22 -0.32 0.00 0.00 0.00 173.10 176.32 3i6t s GLY 296 N 3.87 1.66 0.34 0.20 0.00 -0.46 -1.36 107.32 111.58 3i6t s GLY 296 Ca 0.42 -0.85 -0.13 0.00 0.00 0.00 0.00 44.72 44.16 3i6t s GLY 296 CO -0.04 -0.23 0.67 0.51 0.00 0.00 0.00 173.10 174.00 3i6t s ASP 297 N -4.60 0.17 0.00 1.64 -4.77 -1.26 -4.57 116.67 103.27 3i6t s ASP 297 Ca 0.67 -1.12 0.00 0.00 -3.30 0.00 0.00 52.55 48.80 3i6t s ASP 297 Cb -0.09 0.76 0.00 0.00 -1.09 0.00 0.00 42.92 42.50 3i6t s ASP 297 CO 0.51 -1.48 0.00 0.23 0.70 0.00 0.00 175.17 175.13 3i6t n MET 298 N -0.51 2.29 -2.63 2.11 2.81 -1.26 -4.99 117.12 114.93 3i6t n MET 298 Ca -0.05 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.41 3i6t n MET 298 Cb 0.60 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 33.11 3i6t n MET 298 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3i6t s PHE 299 N 1.01 2.88 0.30 2.03 0.40 -1.26 -4.93 117.98 118.40 3i6t s PHE 299 Ca 0.00 -1.68 0.08 0.00 -0.60 0.00 0.00 56.93 54.73 3i6t s PHE 299 Cb 0.00 -4.69 -0.04 0.00 0.51 0.00 0.00 43.02 38.80 3i6t s PHE 299 CO 0.00 -1.75 0.15 -1.21 0.70 0.00 0.00 175.22 173.11 3i6t s GLU 300 N 3.87 2.57 0.10 0.44 2.02 -1.26 -4.88 118.70 121.56 3i6t s GLU 300 Ca 0.52 -1.33 0.02 0.00 0.02 0.00 0.00 54.97 54.19 3i6t s GLU 300 Cb 0.03 -2.34 0.02 0.00 0.10 0.00 0.00 34.13 31.94 3i6t s GLU 300 CO 0.06 0.25 0.13 0.00 0.02 0.00 0.00 175.26 175.72 3i6t n ALA 301 N -1.14 0.21 0.19 5.21 0.00 -1.26 -4.42 120.51 119.28 3i6t n ALA 301 Ca -0.05 -0.37 0.06 0.00 0.00 0.00 0.00 53.44 53.08 3i6t n ALA 301 Cb 0.59 0.11 0.29 0.00 0.00 0.00 0.00 19.45 20.44 3i6t n ALA 301 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i6t h GLY 302 N 0.03 0.00 0.80 0.00 0.00 -1.97 -2.03 103.07 99.91 3i6t h GLY 302 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3i6t h GLY 302 CO 0.07 0.00 -0.11 -2.00 0.00 0.00 0.00 176.54 174.50 3i6t h LEU 303 N 0.00 -0.27 -0.67 3.11 5.85 -1.95 -1.16 115.31 120.22 3i6t h LEU 303 Ca -0.00 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.67 3i6t h LEU 303 Cb 0.98 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 3i6t h LEU 303 CO 0.05 -0.02 0.31 0.00 -0.34 0.00 0.00 178.44 178.44 3i6t h ALA 304 N 0.19 0.91 -0.43 1.25 0.00 -1.84 -1.73 119.26 117.61 3i6t h ALA 304 Ca -0.03 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3i6t h ALA 304 Cb 0.39 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3i6t h ALA 304 CO 0.05 -0.10 0.17 0.45 0.00 0.00 0.00 179.25 179.82 3i6t h HIS 305 N 0.53 0.30 -0.29 0.00 3.86 -1.20 -1.26 115.15 117.10 3i6t h HIS 305 Ca 0.33 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.56 3i6t h HIS 305 Cb 0.37 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 3i6t h HIS 305 CO -0.13 0.12 0.15 -0.07 0.86 0.00 0.00 177.93 178.87 3i6t h LEU 306 N 0.35 0.37 -0.62 2.43 3.38 -0.65 0.13 115.31 120.70 3i6t h LEU 306 Ca 0.20 -0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.18 3i6t h LEU 306 Cb 0.17 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 3i6t h LEU 306 CO -0.19 0.37 0.16 0.00 0.09 0.00 0.00 178.44 178.87 3i6t h ALA 307 N 1.02 0.76 -0.19 1.53 0.00 -0.96 -1.08 119.26 120.34 3i6t h ALA 307 Ca 0.10 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3i6t h ALA 307 Cb 0.08 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i6t h ALA 307 CO -0.02 -0.28 -0.32 0.78 0.00 0.00 0.00 179.25 179.42 3i6t h GLY 308 N 0.30 0.42 0.98 0.00 0.00 -0.87 -2.23 103.07 101.67 3i6t h GLY 308 Ca 0.33 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 3i6t h GLY 308 CO -0.39 0.33 -0.11 0.00 0.00 0.00 0.00 176.54 176.37 3i6t h ALA 309 N 1.33 0.53 -0.42 3.60 0.00 -0.09 -0.80 119.26 123.41 3i6t h ALA 309 Ca 0.04 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3i6t h ALA 309 Cb 0.73 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3i6t h ALA 309 CO 0.06 0.42 0.03 0.45 0.00 0.00 0.00 179.25 180.21 3i6t h HIS 310 N 0.56 0.78 -0.19 0.00 3.86 -1.17 -0.69 115.15 118.31 3i6t h HIS 310 Ca 0.10 -0.12 0.05 0.00 -1.16 0.00 0.00 60.37 59.24 3i6t h HIS 310 Cb 0.64 -0.21 -0.07 0.00 1.06 0.00 0.00 27.41 28.84 3i6t h HIS 310 CO 0.05 0.76 -0.27 1.98 0.86 0.00 0.00 177.93 181.32 3i6t h MET 311 N 0.57 -0.29 -0.31 2.45 -1.53 -1.27 -2.56 114.93 111.98 3i6t h MET 311 Ca 0.12 0.02 -0.03 0.00 -3.44 0.00 0.00 59.70 56.37 3i6t h MET 311 Cb 0.43 0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.53 3i6t h MET 311 CO 0.02 -0.19 0.06 0.82 0.14 0.00 0.00 176.91 177.75 3i6t h ILE 312 N -0.30 1.16 -0.13 1.77 2.04 -0.96 -2.05 117.51 119.03 3i6t h ILE 312 Ca 0.12 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 3i6t h ILE 312 Cb 0.48 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3i6t h ILE 312 CO -0.36 0.20 -0.04 0.00 0.00 0.00 0.00 178.15 177.95 3i6t h ALA 313 N 1.62 1.69 -0.37 1.87 0.00 -0.82 -2.24 119.26 121.01 3i6t h ALA 313 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i6t h ALA 313 Cb 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3i6t h ALA 313 CO -0.00 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3i6t n ALA 314 N -2.50 2.44 -3.78 0.00 0.00 -0.80 -0.09 120.51 115.77 3i6t n ALA 314 Ca -0.01 -0.92 -0.30 0.00 0.00 0.00 0.00 53.44 52.21 3i6t n ALA 314 Cb 0.19 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.58 3i6t n ALA 314 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i6t s THR 315 N -1.52 1.55 0.52 0.00 2.01 -0.84 -4.81 115.64 112.55 3i6t s THR 315 Ca 0.38 -2.41 0.21 0.00 0.31 0.00 0.00 61.69 60.18 3i6t s THR 315 Cb 0.22 -2.11 0.35 0.00 0.01 0.00 0.00 72.50 70.97 3i6t s THR 315 CO 0.30 -0.81 2.04 -0.65 -0.69 0.00 0.00 174.62 174.82 3i6t h PRO 316 N 7.05 0.04 0.00 4.92 0.11 -1.87 -2.42 132.00 139.83 3i6t h PRO 316 Ca -0.05 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3i6t h PRO 316 Cb 0.95 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3i6t h PRO 316 CO 0.51 0.03 -0.08 0.93 -0.21 0.00 0.00 178.00 179.18 3i6t h GLU 317 N 0.04 0.00 -5.52 1.05 3.07 -1.93 -3.37 114.58 107.92 3i6t h GLU 317 Ca 0.17 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.40 3i6t h GLU 317 Cb 0.64 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.41 3i6t h GLU 317 CO -0.01 0.08 0.75 0.42 -1.40 0.00 0.00 179.01 178.86 3i6t s ILE 318 N -4.10 4.30 -0.95 3.13 1.01 -0.91 -4.19 121.20 119.50 3i6t s ILE 318 Ca -0.02 -0.57 0.12 0.00 0.00 0.00 0.00 60.65 60.17 3i6t s ILE 318 Cb 0.12 -4.77 -0.04 0.00 0.01 0.00 0.00 42.46 37.78 3i6t s ILE 318 CO 0.55 -1.56 0.65 0.35 0.00 0.00 0.00 174.94 174.93 3i6t n THR 319 N 5.97 0.00 0.01 2.92 -2.24 -1.15 -4.67 114.28 115.12 3i6t n THR 319 Ca 0.06 -0.32 0.07 0.00 -2.27 0.00 0.00 64.05 61.59 3i6t n THR 319 Cb 0.47 1.10 0.26 0.00 -2.10 0.00 0.00 70.33 70.06 3i6t n THR 319 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i6t n LEU 320 N -0.56 3.53 0.00 3.22 4.77 -1.15 -5.04 117.00 121.77 3i6t n LEU 320 Ca 0.04 -1.78 0.00 0.00 -0.03 0.00 0.00 56.01 54.24 3i6t n LEU 320 Cb 0.24 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3i6t n LEU 320 CO 0.18 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3i6t n GLY 321 N 0.94 -1.94 3.12 -0.72 0.00 -1.26 -4.80 105.19 100.53 3i6t n GLY 321 Ca 0.19 -1.64 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 3i6t n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6t n GLU 323 N -0.00 3.54 -1.51 0.00 0.28 -0.46 -0.42 120.64 122.06 3i6t n GLU 323 Ca -0.09 -4.22 -0.40 0.00 -0.16 0.00 0.00 57.16 52.30 3i6t n GLU 323 Cb 0.62 -2.27 -0.02 0.00 1.43 0.00 0.00 31.44 31.20 3i6t n GLU 323 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3i6t n PHE 324 N -0.66 2.57 0.52 -1.84 0.99 -1.26 -4.49 117.46 113.29 3i6t n PHE 324 Ca 0.44 -3.03 0.10 0.00 -0.00 0.00 0.00 57.45 54.95 3i6t n PHE 324 Cb 0.88 -2.36 -0.13 0.00 -1.00 0.00 0.00 39.48 36.87 3i6t n PHE 324 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.76 179.24 3i6t n TYR 325 N 3.47 0.00 -0.06 1.38 4.11 -1.26 -4.63 117.16 120.17 3i6t n TYR 325 Ca 0.72 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 58.50 3i6t n TYR 325 Cb 0.25 -0.19 -0.00 0.00 -0.00 0.00 0.00 39.34 39.40 3i6t n TYR 325 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.86 178.82 3i6t h GLN 326 N 0.00 0.77 0.00 -3.48 7.50 -1.85 -0.94 115.11 117.11 3i6t h GLN 326 Ca 0.00 -0.47 -0.01 0.00 0.50 0.00 0.00 58.65 58.67 3i6t h GLN 326 Cb 0.65 0.05 -0.00 0.00 0.05 0.00 0.00 27.48 28.23 3i6t h GLN 326 CO 0.00 1.10 -0.02 0.00 -1.50 0.00 0.00 178.83 178.41 3i6t h ALA 327 N 0.81 1.04 0.02 3.87 0.00 -1.82 -0.17 119.26 123.00 3i6t h ALA 327 Ca 0.02 -0.02 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 3i6t h ALA 327 Cb 1.10 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 3i6t h ALA 327 CO 0.11 0.03 -2.30 2.41 0.00 0.00 0.00 179.25 179.50 3i6t n THR 328 N -3.17 1.55 0.18 0.00 -1.04 -1.07 -4.67 114.28 106.06 3i6t n THR 328 Ca -0.01 -0.46 0.03 0.00 -2.04 0.00 0.00 64.05 61.57 3i6t n THR 328 Cb 0.23 -1.69 0.03 0.00 -1.82 0.00 0.00 70.33 67.07 3i6t n THR 328 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3i6t n TYR 329 N -3.77 0.03 0.00 -1.42 4.02 -0.38 -4.86 117.16 110.78 3i6t n TYR 329 Ca -0.46 -0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.37 3i6t n TYR 329 Cb 0.93 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.24 3i6t n TYR 329 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3i6t n PHE 330 N 0.25 0.00 -2.51 -0.72 7.35 -0.43 -4.90 117.46 116.50 3i6t n PHE 330 Ca 0.03 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.32 3i6t n PHE 330 Cb 0.15 0.13 -0.04 0.00 0.35 0.00 0.00 39.48 40.07 3i6t n PHE 330 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3i6t s LEU 331 N -4.37 4.55 0.05 -2.13 1.43 -0.21 -1.02 118.68 116.98 3i6t s LEU 331 Ca 0.00 2.20 -0.25 0.00 -1.03 0.00 0.00 54.13 55.05 3i6t s LEU 331 Cb 0.00 -3.62 -0.17 0.00 0.03 0.00 0.00 46.19 42.43 3i6t s LEU 331 CO 0.00 -0.14 1.55 0.00 0.23 0.00 0.00 176.35 177.99 3i6t s ASP 333 N -5.20 0.56 0.71 0.00 1.11 -1.26 -5.09 116.67 107.50 3i6t s ASP 333 Ca -0.14 -0.14 0.02 0.00 0.18 0.00 0.00 52.55 52.47 3i6t s ASP 333 Cb 0.04 -0.05 0.13 0.00 1.07 0.00 0.00 42.92 44.12 3i6t s ASP 333 CO 0.64 0.02 0.97 -0.62 1.18 0.00 0.00 175.17 177.37 3i6t s ASP 334 N -0.28 4.40 0.00 0.27 2.15 -1.26 -4.87 116.67 117.08 3i6t s ASP 334 Ca 0.00 -0.57 0.10 0.00 0.43 0.00 0.00 52.55 52.51 3i6t s ASP 334 Cb -0.03 0.24 0.27 0.00 -0.30 0.00 0.00 42.92 43.10 3i6t s ASP 334 CO -0.00 -1.84 1.21 2.30 -0.17 0.00 0.00 175.17 176.66 3i6t n ILE 335 N -2.75 0.94 -3.30 4.11 -5.35 -1.26 -4.97 119.36 106.78 3i6t n ILE 335 Ca 0.16 -0.97 -0.30 0.00 -0.27 0.00 0.00 62.75 61.38 3i6t n ILE 335 Cb 0.61 0.54 -0.04 0.00 -1.74 0.00 0.00 39.64 39.01 3i6t n ILE 335 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i6t s LEU 336 N -0.99 4.06 0.30 7.28 1.43 -1.26 -1.54 118.68 127.96 3i6t s LEU 336 Ca 0.21 0.83 0.26 0.00 -1.03 0.00 0.00 54.13 54.39 3i6t s LEU 336 Cb 0.11 -3.63 0.81 0.00 0.03 0.00 0.00 46.19 43.51 3i6t s LEU 336 CO 0.14 -0.18 1.75 0.00 0.23 0.00 0.00 176.35 178.29 3i6t h ALA 337 N 1.89 1.00 -2.45 4.21 0.00 -0.94 -3.43 119.26 119.55 3i6t h ALA 337 Ca -0.47 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 3i6t h ALA 337 Cb 1.18 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 3i6t h ALA 337 CO 0.67 0.00 -0.56 0.00 0.00 0.00 0.00 179.25 179.36 3i6t s ALA 338 N -3.22 0.53 0.43 0.00 0.00 -1.26 -5.04 121.76 113.19 3i6t s ALA 338 Ca 0.08 -1.23 -0.26 0.00 0.00 0.00 0.00 51.96 50.55 3i6t s ALA 338 Cb 0.10 0.74 -0.09 0.00 0.00 0.00 0.00 23.12 23.88 3i6t s ALA 338 CO 0.56 -0.51 1.36 -2.14 0.00 0.00 0.00 175.76 175.04 3i6t s PRO 339 N -4.00 3.84 0.08 0.00 0.02 -1.26 -4.93 135.00 128.76 3i6t s PRO 339 Ca 0.18 2.28 -0.34 0.00 0.02 0.00 0.00 61.00 63.14 3i6t s PRO 339 Cb 0.06 -2.71 -0.13 0.00 0.02 0.00 0.00 34.50 31.74 3i6t s PRO 339 CO -0.01 -0.64 1.68 0.34 -0.33 0.00 0.00 177.00 178.04 3i6t n PHE 340 N -0.01 2.31 -2.51 6.54 7.35 -1.26 -4.85 117.46 125.03 3i6t n PHE 340 Ca 0.04 0.16 -0.43 0.00 -0.76 0.00 0.00 57.45 56.47 3i6t n PHE 340 Cb 0.43 -2.59 -0.02 0.00 0.35 0.00 0.00 39.48 37.64 3i6t n PHE 340 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3i6t s PRO 341 N 1.96 3.58 0.00 -7.13 0.04 -1.26 -4.97 135.00 127.21 3i6t s PRO 341 Ca 0.83 0.55 0.03 0.00 0.04 0.00 0.00 61.00 62.45 3i6t s PRO 341 Cb -0.67 -3.99 -0.01 0.00 0.04 0.00 0.00 34.50 29.87 3i6t s PRO 341 CO 0.42 -1.58 -0.09 0.08 0.04 0.00 0.00 177.00 175.87 3i6t s VAL 342 N 5.03 0.68 -0.28 -0.36 1.01 -1.26 -1.11 120.40 124.11 3i6t s VAL 342 Ca 0.50 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.76 3i6t s VAL 342 Cb -0.09 -0.59 0.09 0.00 0.00 0.00 0.00 36.38 35.79 3i6t s VAL 342 CO 0.30 0.10 0.81 0.00 0.00 0.00 0.00 175.10 176.31 3i6t s ALA 343 N -0.38 -1.86 -1.48 5.51 0.00 -0.73 -4.97 121.76 117.85 3i6t s ALA 343 Ca 0.02 2.05 -0.07 0.00 0.00 0.00 0.00 51.96 53.96 3i6t s ALA 343 Cb -0.04 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.79 3i6t s ALA 343 CO -0.00 -0.32 0.83 -0.25 0.00 0.00 0.00 175.76 176.02 3i6t n ASP 344 N 2.81 -6.12 -1.12 0.00 9.92 -1.26 -2.13 116.55 118.67 3i6t n ASP 344 Ca -0.15 -0.40 -0.12 0.00 -0.53 0.00 0.00 54.79 53.59 3i6t n ASP 344 Cb 0.56 -4.89 -0.04 0.00 -0.64 0.00 0.00 41.12 36.11 3i6t n ASP 344 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i6t n GLY 345 N -1.70 0.82 3.09 0.44 0.00 -1.14 -4.73 105.19 101.97 3i6t n GLY 345 Ca -0.06 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 3i6t n GLY 345 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i6t s HIS 346 N -2.52 0.85 0.22 1.61 3.76 -0.90 -1.86 115.29 116.44 3i6t s HIS 346 Ca 0.00 -0.44 -0.30 0.00 -0.15 0.00 0.00 55.06 54.17 3i6t s HIS 346 Cb 0.00 -0.50 -0.08 0.00 1.11 0.00 0.00 32.58 33.11 3i6t s HIS 346 CO 0.00 -0.03 1.05 0.08 -0.85 0.00 0.00 174.74 174.99 3i6t s VAL 347 N -1.20 3.85 -0.34 -0.90 1.01 0.93 -1.77 120.40 121.97 3i6t s VAL 347 Ca -0.06 1.72 -0.09 0.00 0.00 0.00 0.00 61.98 63.55 3i6t s VAL 347 Cb -0.09 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.21 3i6t s VAL 347 CO 0.01 0.35 0.15 -0.76 0.00 0.00 0.00 175.10 174.86 3i6t s LEU 348 N -0.85 4.38 -0.11 3.92 1.43 -0.26 -0.86 118.68 126.32 3i6t s LEU 348 Ca 0.46 -0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 3i6t s LEU 348 Cb -0.29 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 3i6t s LEU 348 CO 0.36 -0.31 1.32 -0.69 0.23 0.00 0.00 176.35 177.26 3i6t s VAL 349 N 1.52 4.12 0.74 -1.59 1.01 0.25 -4.73 120.40 121.71 3i6t s VAL 349 Ca 0.02 1.39 -0.13 0.00 0.00 0.00 0.00 61.98 63.25 3i6t s VAL 349 Cb -0.19 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.34 3i6t s VAL 349 CO 0.05 -0.09 1.13 -2.84 0.00 0.00 0.00 175.10 173.35 3i6t s PRO 350 N 3.24 2.29 -0.02 2.72 0.02 -1.26 -4.91 135.00 137.07 3i6t s PRO 350 Ca 0.58 1.44 0.03 0.00 0.02 0.00 0.00 61.00 63.07 3i6t s PRO 350 Cb -0.25 -1.88 0.04 0.00 0.02 0.00 0.00 34.50 32.43 3i6t s PRO 350 CO 0.19 -1.66 1.01 -0.40 -0.33 0.00 0.00 177.00 175.81 3i6t n ASP 351 N -2.99 2.00 -4.71 2.53 5.68 -1.26 -4.96 116.55 112.84 3i6t n ASP 351 Ca 0.11 -2.12 -0.24 0.00 -0.50 0.00 0.00 54.79 52.03 3i6t n ASP 351 Cb 0.52 -0.06 0.10 0.00 -1.14 0.00 0.00 41.12 40.54 3i6t n ASP 351 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3i6t s THR 352 N -1.23 2.24 0.65 2.12 -4.23 -1.26 -4.51 115.64 109.42 3i6t s THR 352 Ca 0.04 -0.47 -0.16 0.00 -1.18 0.00 0.00 61.69 59.93 3i6t s THR 352 Cb 0.04 -2.77 -0.01 0.00 1.34 0.00 0.00 72.50 71.10 3i6t s THR 352 CO 0.00 0.00 1.13 -2.84 -0.54 0.00 0.00 174.62 172.37 3i6t s PRO 353 N -5.19 2.82 3.74 3.99 0.02 -1.26 -3.39 135.00 135.73 3i6t s PRO 353 Ca 0.65 1.48 0.00 0.00 0.02 0.00 0.00 61.00 63.15 3i6t s PRO 353 Cb -0.07 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.50 3i6t s PRO 353 CO 0.44 -1.25 0.00 0.41 -0.33 0.00 0.00 177.00 176.28 3i6t n GLY 354 N -0.27 0.69 0.25 0.52 0.00 0.25 -2.63 105.19 103.99 3i6t n GLY 354 Ca 0.11 -0.73 0.17 0.00 0.00 0.00 0.00 46.02 45.57 3i6t n GLY 354 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i6t h LEU 355 N 0.00 0.00 0.00 0.99 3.38 -1.86 -1.58 115.31 116.24 3i6t h LEU 355 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i6t h LEU 355 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i6t h LEU 355 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3i6t n GLY 356 N -0.28 1.33 3.12 0.83 0.00 -1.08 -4.80 105.19 104.32 3i6t n GLY 356 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3i6t n GLY 356 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6t s VAL 357 N -2.36 1.15 0.32 1.61 1.01 -1.26 -4.86 120.40 116.01 3i6t s VAL 357 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 3i6t s VAL 357 Cb 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 36.38 35.31 3i6t s VAL 357 CO 0.00 0.33 1.28 -1.81 0.00 0.00 0.00 175.10 174.89 3i6t s ASP 358 N -0.32 6.85 0.07 3.32 1.01 -1.26 -4.92 116.67 121.42 3i6t s ASP 358 Ca 0.05 2.63 -0.28 0.00 0.71 0.00 0.00 52.55 55.66 3i6t s ASP 358 Cb -0.06 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.17 3i6t s ASP 358 CO -0.00 -0.48 0.89 -0.69 0.21 0.00 0.00 175.17 175.09 3i6t s VAL 359 N -1.13 4.64 -0.54 -1.27 1.01 -1.26 -0.29 120.40 121.56 3i6t s VAL 359 Ca 0.48 1.90 -0.19 0.00 0.00 0.00 0.00 61.98 64.17 3i6t s VAL 359 Cb -0.39 -4.24 0.08 0.00 0.00 0.00 0.00 36.38 31.83 3i6t s VAL 359 CO 0.51 0.31 0.65 -0.62 0.00 0.00 0.00 175.10 175.96 3i6t s ASP 360 N 0.12 6.20 0.55 3.32 -1.08 -0.59 -4.73 116.67 120.46 3i6t s ASP 360 Ca 0.44 -1.14 0.29 0.00 -0.52 0.00 0.00 52.55 51.62 3i6t s ASP 360 Cb -0.22 -2.29 1.59 0.00 -1.46 0.00 0.00 42.92 40.54 3i6t s ASP 360 CO 0.27 -0.98 2.13 -0.33 0.52 0.00 0.00 175.17 176.79 3i6t h GLU 361 N 9.07 0.00 -0.45 4.34 5.08 -1.96 -1.61 114.58 129.05 3i6t h GLU 361 Ca -0.28 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.96 3i6t h GLU 361 Cb 1.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 3i6t h GLU 361 CO 1.02 0.08 -0.17 -0.44 -1.00 0.00 0.00 179.01 178.49 3i6t h ASP 362 N 0.00 0.87 -0.10 1.42 3.32 -1.96 -1.64 116.42 118.33 3i6t h ASP 362 Ca -0.00 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.68 3i6t h ASP 362 Cb 0.23 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3i6t h ASP 362 CO 0.01 1.04 -0.13 0.00 -1.72 0.00 0.00 179.24 178.44 3i6t h ALA 363 N 1.03 1.28 0.22 3.45 0.00 -1.65 -0.77 119.26 122.82 3i6t h ALA 363 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3i6t h ALA 363 Cb 0.70 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i6t h ALA 363 CO 0.05 0.47 -0.11 -0.07 0.00 0.00 0.00 179.25 179.60 3i6t h LEU 364 N 0.42 -0.25 -0.50 0.00 3.38 -1.12 -1.87 115.31 115.37 3i6t h LEU 364 Ca 0.08 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3i6t h LEU 364 Cb 0.48 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3i6t h LEU 364 CO 0.03 -0.09 0.27 0.00 0.09 0.00 0.00 178.44 178.74 3i6t h ALA 365 N 0.37 0.64 -0.78 1.53 0.00 -1.17 -1.57 119.26 118.28 3i6t h ALA 365 Ca -0.03 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3i6t h ALA 365 Cb 0.30 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3i6t h ALA 365 CO 0.05 -0.05 0.46 -0.09 0.00 0.00 0.00 179.25 179.62 3i6t h ARG 366 N 0.54 0.83 -0.35 0.00 2.43 -0.98 -2.97 114.38 113.87 3i6t h ARG 366 Ca 0.21 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3i6t h ARG 366 Cb 0.08 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3i6t h ARG 366 CO -0.13 0.55 0.00 1.19 -1.51 0.00 0.00 179.97 180.07 3i6t n PHE 367 N -4.69 0.45 -2.08 2.20 3.72 -0.72 -4.96 117.46 111.39 3i6t n PHE 367 Ca 0.11 -0.24 -0.40 0.00 -0.05 0.00 0.00 57.45 56.86 3i6t n PHE 367 Cb 0.17 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.70 3i6t n PHE 367 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i6t s ALA 368 N -1.47 3.45 -2.00 4.37 0.00 -0.61 -1.36 121.76 124.13 3i6t s ALA 368 Ca 0.36 1.28 0.21 0.00 0.00 0.00 0.00 51.96 53.82 3i6t s ALA 368 Cb 0.22 -3.49 1.28 0.00 0.00 0.00 0.00 23.12 21.12 3i6t s ALA 368 CO 0.30 -0.72 1.66 1.33 0.00 0.00 0.00 175.76 178.33