#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mda s LYS 2 N 0.00 1.53 0.00 3.49 2.47 -1.26 -1.52 119.74 124.45 1mda s LYS 2 Ca 0.00 -0.35 0.00 0.00 -1.56 0.00 0.00 55.97 54.06 1mda s LYS 2 Cb 0.00 -4.99 0.00 0.00 -1.46 0.00 0.00 37.83 31.38 1mda s LYS 2 CO 0.00 -4.96 0.00 0.43 0.16 0.00 0.00 175.35 170.98 1mda n SER 3 N 18.40 0.00 0.00 1.43 7.64 -1.26 -4.77 113.62 135.07 1mda n SER 3 Ca 0.43 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1mda n SER 3 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1mda n SER 3 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1mda n LYS 4 N 0.00 -0.28 -3.24 1.43 4.81 -0.57 -4.77 118.16 115.53 1mda n LYS 4 Ca 0.00 -0.47 -0.45 0.00 -0.87 0.00 0.00 58.31 56.52 1mda n LYS 4 Cb 0.00 -0.84 -0.00 0.00 0.02 0.00 0.00 35.03 34.21 1mda n LYS 4 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1mda s VAL 5 N -0.10 5.73 -0.36 3.15 0.11 -1.26 -4.22 120.40 123.44 1mda s VAL 5 Ca 0.00 -3.10 0.05 0.00 -2.93 0.00 0.00 61.98 55.99 1mda s VAL 5 Cb 0.00 -4.66 0.27 0.00 -1.53 0.00 0.00 36.38 30.46 1mda s VAL 5 CO 0.00 -1.27 1.26 0.00 -3.33 0.00 0.00 175.10 171.76 1mda n ALA 6 N 3.57 -1.91 -0.21 1.54 0.00 -1.26 -4.43 120.51 117.81 1mda n ALA 6 Ca 0.25 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1mda n ALA 6 Cb 0.41 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1mda n ALA 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mda n GLY 7 N 0.11 0.98 0.15 0.00 0.00 -1.26 -4.66 105.19 100.51 1mda n GLY 7 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1mda n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1mda h SER 8 N 0.00 0.76 0.31 1.61 0.02 -1.91 -3.07 113.55 111.27 1mda h SER 8 Ca 0.00 -0.77 -0.24 0.00 -0.84 0.00 0.00 61.79 59.93 1mda h SER 8 Cb 0.10 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.41 1mda h SER 8 CO 0.00 1.59 -1.01 0.00 -1.14 0.00 0.00 176.83 176.28 1mda h ALA 9 N 0.30 0.28 -0.80 3.77 0.00 -1.89 -2.04 119.26 118.88 1mda h ALA 9 Ca -0.21 -0.73 0.09 0.00 0.00 0.00 0.00 54.91 54.06 1mda h ALA 9 Cb 2.04 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.76 1mda h ALA 9 CO 0.25 0.81 0.45 0.00 0.00 0.00 0.00 179.25 180.75 1mda h ALA 10 N 0.65 1.13 0.30 0.00 0.00 -1.83 0.19 119.26 119.70 1mda h ALA 10 Ca -0.10 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1mda h ALA 10 Cb 1.66 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1mda h ALA 10 CO 0.18 0.07 -0.17 0.00 0.00 0.00 0.00 179.25 179.33 1mda h ALA 11 N 1.45 -0.44 -0.77 0.00 0.00 -1.49 -1.94 119.26 116.07 1mda h ALA 11 Ca 0.39 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1mda h ALA 11 Cb 0.35 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1mda h ALA 11 CO -0.25 -0.75 0.50 0.00 0.00 0.00 0.00 179.25 178.75 1mda h ALA 12 N 0.25 1.01 0.31 0.00 0.00 -0.51 -2.05 119.26 118.27 1mda h ALA 12 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1mda h ALA 12 Cb 0.36 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1mda h ALA 12 CO 0.04 0.32 -0.36 1.03 0.00 0.00 0.00 179.25 180.29 1mda h SER 13 N 0.98 -0.99 -1.00 0.00 0.87 -0.33 -1.41 113.55 111.68 1mda h SER 13 Ca 0.30 0.09 0.21 0.00 -1.23 0.00 0.00 61.79 61.16 1mda h SER 13 Cb -0.02 0.34 -0.10 0.00 -0.44 0.00 0.00 62.40 62.17 1mda h SER 13 CO -0.10 -0.49 0.62 0.00 -0.53 0.00 0.00 176.83 176.33 1mda h ALA 14 N -0.23 1.83 0.00 6.23 0.00 -1.06 0.70 119.26 126.72 1mda h ALA 14 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1mda h ALA 14 Cb 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1mda h ALA 14 CO -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 178.95 1mda n ALA 15 N -2.37 2.40 -3.44 0.00 0.00 -0.71 -4.88 120.51 111.52 1mda n ALA 15 Ca 0.24 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.36 1mda n ALA 15 Cb 0.65 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.87 1mda n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda n ALA 16 N -0.88 -1.37 -3.07 0.00 0.00 0.24 -5.00 120.51 110.44 1mda n ALA 16 Ca 0.14 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 1mda n ALA 16 Cb 0.07 -4.30 -0.14 0.00 0.00 0.00 0.00 19.45 15.08 1mda n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda s ALA 17 N -3.30 2.77 0.00 0.00 0.00 -0.61 -5.04 121.76 115.57 1mda s ALA 17 Ca 0.39 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1mda s ALA 17 Cb -0.17 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1mda s ALA 17 CO 0.66 0.18 0.00 0.45 0.00 0.00 0.00 175.76 177.05 1mda n SER 18 N 3.64 0.00 -3.19 0.00 2.88 -1.26 -4.63 113.62 111.06 1mda n SER 18 Ca -0.18 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.30 1mda n SER 18 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1mda n SER 18 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1mda n ASP 19 N 1.26 -7.23 -4.13 -3.46 9.92 -1.26 -4.97 116.55 106.68 1mda n ASP 19 Ca 0.00 -0.20 -0.37 0.00 -0.53 0.00 0.00 54.79 53.68 1mda n ASP 19 Cb 0.00 -4.59 -0.10 0.00 -0.64 0.00 0.00 41.12 35.79 1mda n ASP 19 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1mda s GLY 20 N -2.95 2.20 0.35 0.44 0.00 -1.26 -5.10 107.32 101.01 1mda s GLY 20 Ca 0.02 -2.82 -0.27 0.00 0.00 0.00 0.00 44.72 41.65 1mda s GLY 20 CO 0.78 1.07 1.14 -0.56 0.00 0.00 0.00 173.10 175.53 1mda s SER 21 N 1.56 6.83 0.24 1.64 0.01 -1.26 -5.05 113.70 117.66 1mda s SER 21 Ca 0.11 2.29 -0.18 0.00 1.31 0.00 0.00 55.95 59.49 1mda s SER 21 Cb -0.22 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.41 1mda s SER 21 CO -0.04 -0.45 0.59 -0.94 0.41 0.00 0.00 173.24 172.81 1mda s SER 22 N -1.08 -0.24 -0.17 2.44 1.04 -1.26 -5.14 113.70 109.30 1mda s SER 22 Ca 0.52 -0.61 -0.22 0.00 0.48 0.00 0.00 55.95 56.12 1mda s SER 22 Cb -0.30 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 1mda s SER 22 CO 0.39 -1.18 0.70 0.00 0.98 0.00 0.00 173.24 174.13 1mda n ASP 24 N 4.86 0.95 -4.09 0.00 5.68 -1.26 -5.11 116.55 117.58 1mda n ASP 24 Ca 0.00 -1.91 -0.23 0.00 -0.50 0.00 0.00 54.79 52.15 1mda n ASP 24 Cb 0.50 -0.73 -0.15 0.00 -1.14 0.00 0.00 41.12 39.60 1mda n ASP 24 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1mda s HIS 25 N -3.21 1.30 0.48 2.11 -3.43 -1.26 -4.97 115.29 106.31 1mda s HIS 25 Ca 0.66 -0.30 -0.21 0.00 -0.80 0.00 0.00 55.06 54.41 1mda s HIS 25 Cb -0.03 -0.86 -0.10 0.00 -1.43 0.00 0.00 32.58 30.16 1mda s HIS 25 CO 0.45 -0.07 0.73 0.41 -2.00 0.00 0.00 174.74 174.26 1mda n GLY 26 N 2.96 -0.96 0.17 -1.38 0.00 0.16 -4.87 105.19 101.26 1mda n GLY 26 Ca -0.16 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1mda n GLY 26 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1mda h PRO 27 N 0.83 0.00 0.00 1.61 0.11 -1.90 -3.45 132.00 129.20 1mda h PRO 27 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1mda h PRO 27 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 1mda h PRO 27 CO 0.52 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.72 1mda n GLY 28 N -1.17 2.35 3.60 -0.55 0.00 -1.26 -5.02 105.19 103.15 1mda n GLY 28 Ca -0.01 -1.28 -0.51 0.00 0.00 0.00 0.00 46.02 44.22 1mda n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mda n ALA 29 N 1.93 -0.56 -3.24 4.61 0.00 -1.26 -4.97 120.51 117.02 1mda n ALA 29 Ca 0.00 0.50 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 1mda n ALA 29 Cb 0.00 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.29 1mda n ALA 29 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1mda s ILE 30 N 0.57 0.00 0.35 0.00 -4.36 -1.26 -4.98 121.20 111.53 1mda s ILE 30 Ca 0.83 -1.37 0.06 0.00 -0.26 0.00 0.00 60.65 59.92 1mda s ILE 30 Cb -0.91 -2.44 0.30 0.00 1.25 0.00 0.00 42.46 40.67 1mda s ILE 30 CO 0.45 0.00 1.92 -1.28 0.24 0.00 0.00 174.94 176.28 1mda h SER 31 N 2.15 0.69 0.09 4.36 0.87 -1.87 -2.21 113.55 117.62 1mda h SER 31 Ca -0.27 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1mda h SER 31 Cb 1.25 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1mda h SER 31 CO 0.36 0.42 -0.04 0.54 -0.53 0.00 0.00 176.83 177.58 1mda n ARG 32 N -4.50 1.20 -2.40 2.24 5.12 -1.26 -4.49 116.66 112.56 1mda n ARG 32 Ca 0.13 -0.48 -0.42 0.00 -1.93 0.00 0.00 57.85 55.15 1mda n ARG 32 Cb 0.30 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.08 1mda n ARG 32 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1mda s ARG 33 N -2.13 4.47 -0.04 5.56 3.52 -0.83 -1.20 118.95 128.29 1mda s ARG 33 Ca 0.38 1.82 0.03 0.00 -0.13 0.00 0.00 55.73 57.83 1mda s ARG 33 Cb 0.21 -3.29 0.01 0.00 -1.56 0.00 0.00 34.95 30.32 1mda s ARG 33 CO 0.39 -0.15 -0.11 -1.54 -0.81 0.00 0.00 175.30 173.08 1mda s SER 34 N 0.51 1.47 -0.22 -2.12 1.04 -0.04 -4.56 113.70 109.79 1mda s SER 34 Ca 0.55 -0.24 -0.14 0.00 0.48 0.00 0.00 55.95 56.60 1mda s SER 34 Cb -0.31 -0.51 -0.04 0.00 0.10 0.00 0.00 66.02 65.25 1mda s SER 34 CO 0.33 0.06 0.32 -1.00 0.98 0.00 0.00 173.24 173.93 1mda s HIS 35 N 0.38 3.34 -0.28 5.02 3.76 -0.65 -0.33 115.29 126.54 1mda s HIS 35 Ca -0.07 0.48 -0.01 0.00 -0.15 0.00 0.00 55.06 55.30 1mda s HIS 35 Cb -0.12 -2.45 0.04 0.00 1.11 0.00 0.00 32.58 31.16 1mda s HIS 35 CO 0.02 -0.01 -0.03 0.42 -0.85 0.00 0.00 174.74 174.28 1mda s ILE 36 N 1.32 2.87 0.15 0.60 -1.09 0.55 -2.04 121.20 123.56 1mda s ILE 36 Ca 0.15 -1.28 -0.06 0.00 -2.23 0.00 0.00 60.65 57.22 1mda s ILE 36 Cb -0.14 -2.59 -0.06 0.00 -1.58 0.00 0.00 42.46 38.09 1mda s ILE 36 CO 0.07 0.00 0.41 0.28 -1.23 0.00 0.00 174.94 174.48 1mda s THR 37 N 1.26 5.11 -0.31 2.92 -1.32 -0.62 0.21 115.64 122.90 1mda s THR 37 Ca -0.04 0.16 -0.01 0.00 -1.21 0.00 0.00 61.69 60.60 1mda s THR 37 Cb -0.19 -3.62 0.10 0.00 -1.51 0.00 0.00 72.50 67.28 1mda s THR 37 CO -0.03 0.05 0.10 -0.22 -2.21 0.00 0.00 174.62 172.31 1mda s LEU 38 N -2.59 2.30 0.17 9.08 2.96 0.31 -2.10 118.68 128.80 1mda s LEU 38 Ca 0.41 -1.64 0.18 0.00 -0.22 0.00 0.00 54.13 52.86 1mda s LEU 38 Cb -0.12 -0.88 0.82 0.00 0.50 0.00 0.00 46.19 46.50 1mda s LEU 38 CO 0.23 -0.41 1.57 -2.65 -1.32 0.00 0.00 176.35 173.77 1mda n PRO 39 N 4.83 0.11 -4.13 0.98 -0.02 -1.26 -3.10 135.00 132.42 1mda n PRO 39 Ca -0.02 0.42 -0.32 0.00 -2.02 0.00 0.00 63.50 61.56 1mda n PRO 39 Cb 0.42 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 1mda n PRO 39 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mda n ALA 40 N -1.67 -1.58 -1.89 3.55 0.00 -1.26 -2.33 120.51 115.33 1mda n ALA 40 Ca 0.02 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1mda n ALA 40 Cb 0.16 -2.60 -0.03 0.00 0.00 0.00 0.00 19.45 16.98 1mda n ALA 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1mda n TYR 41 N -4.41 -0.37 -0.51 0.00 4.01 -1.26 -3.10 117.16 111.51 1mda n TYR 41 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1mda n TYR 41 Cb 0.58 -2.73 0.00 0.00 -0.31 0.00 0.00 39.34 36.87 1mda n TYR 41 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1mda n PHE 42 N -3.41 0.00 -2.28 -0.72 3.72 -0.98 -5.07 117.46 108.72 1mda n PHE 42 Ca -0.15 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.87 1mda n PHE 42 Cb 0.55 -0.07 -0.01 0.00 -0.94 0.00 0.00 39.48 39.01 1mda n PHE 42 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mda s ALA 43 N -2.00 3.04 0.39 4.37 0.00 -1.18 -4.93 121.76 121.45 1mda s ALA 43 Ca 0.00 0.93 0.12 0.00 0.00 0.00 0.00 51.96 53.01 1mda s ALA 43 Cb 0.00 -3.38 0.92 0.00 0.00 0.00 0.00 23.12 20.67 1mda s ALA 43 CO 0.00 -0.59 1.89 0.78 0.00 0.00 0.00 175.76 177.84 1mda h GLY 44 N 2.27 0.98 -3.31 0.00 0.00 -1.92 -3.41 103.07 97.68 1mda h GLY 44 Ca -0.49 -0.25 -0.55 0.00 0.00 0.00 0.00 47.33 46.04 1mda h GLY 44 CO 0.61 0.08 -0.58 -1.59 0.00 0.00 0.00 176.54 175.06 1mda s THR 45 N -5.56 4.20 0.32 4.70 2.01 -1.26 -0.84 115.64 119.21 1mda s THR 45 Ca -0.09 -1.35 -0.10 0.00 0.31 0.00 0.00 61.69 60.46 1mda s THR 45 Cb 0.22 -3.19 0.02 0.00 0.01 0.00 0.00 72.50 69.55 1mda s THR 45 CO 0.78 -0.22 0.57 0.42 -0.69 0.00 0.00 174.62 175.48 1mda s THR 46 N -1.94 0.00 0.03 -0.82 -4.23 -0.94 -4.79 115.64 102.95 1mda s THR 46 Ca 0.31 -1.35 -0.02 0.00 -1.18 0.00 0.00 61.69 59.45 1mda s THR 46 Cb -0.09 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 1mda s THR 46 CO 0.22 0.00 0.01 -1.61 -0.54 0.00 0.00 174.62 172.71 1mda s GLU 47 N -3.21 0.45 -0.07 3.99 2.02 -1.18 -2.06 118.70 118.63 1mda s GLU 47 Ca 0.23 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.48 1mda s GLU 47 Cb -0.02 0.16 0.02 0.00 0.10 0.00 0.00 34.13 34.39 1mda s GLU 47 CO 0.14 -0.09 -0.09 1.21 0.02 0.00 0.00 175.26 176.45 1mda s ASN 48 N -1.90 1.70 -0.18 -0.19 3.04 -0.68 0.11 114.94 116.85 1mda s ASN 48 Ca -0.09 -0.26 -0.09 0.00 0.04 0.00 0.00 52.86 52.47 1mda s ASN 48 Cb -0.04 -0.74 -0.05 0.00 -1.54 0.00 0.00 41.25 38.89 1mda s ASN 48 CO -0.03 -0.04 0.13 0.26 -3.04 0.00 0.00 177.10 174.38 1mda s TRP 49 N 1.05 3.45 -0.26 0.43 0.51 0.57 -1.40 118.94 123.29 1mda s TRP 49 Ca -0.08 0.37 -0.05 0.00 -2.12 0.00 0.00 56.10 54.22 1mda s TRP 49 Cb -0.14 -2.09 0.00 0.00 -0.81 0.00 0.00 33.47 30.43 1mda s TRP 49 CO -0.01 0.41 0.02 0.08 -0.51 0.00 0.00 176.95 176.95 1mda s VAL 50 N -0.03 3.65 0.14 4.03 1.01 -1.10 0.20 120.40 128.30 1mda s VAL 50 Ca 0.10 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.50 1mda s VAL 50 Cb -0.11 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1mda s VAL 50 CO -0.00 0.20 -0.19 -0.44 0.00 0.00 0.00 175.10 174.67 1mda s SER 51 N 1.47 2.64 -0.34 3.32 0.01 0.56 0.95 113.70 122.31 1mda s SER 51 Ca 0.03 -0.80 -0.10 0.00 1.31 0.00 0.00 55.95 56.39 1mda s SER 51 Cb -0.16 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 65.92 1mda s SER 51 CO -0.00 -0.00 0.17 0.00 0.41 0.00 0.00 173.24 173.82 1mda s ALA 53 N 1.59 3.21 0.00 0.00 0.00 -0.34 0.29 121.76 126.50 1mda s ALA 53 Ca 0.03 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1mda s ALA 53 Cb -0.18 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1mda s ALA 53 CO 0.06 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1mda n GLY 54 N 0.69 2.13 0.16 0.00 0.00 -1.26 -4.61 105.19 102.30 1mda n GLY 54 Ca 0.03 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 1mda n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mda n GLY 56 N 0.33 0.79 3.76 0.00 0.00 0.84 -5.04 105.19 105.88 1mda n GLY 56 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1mda n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mda s VAL 57 N -3.01 4.14 0.02 1.61 1.01 -1.14 -4.73 120.40 118.31 1mda s VAL 57 Ca 0.00 2.01 -0.30 0.00 0.00 0.00 0.00 61.98 63.68 1mda s VAL 57 Cb 0.00 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1mda s VAL 57 CO 0.00 0.50 1.11 -0.89 0.00 0.00 0.00 175.10 175.82 1mda s THR 58 N -1.15 4.39 -0.37 3.92 2.01 -1.26 0.20 115.64 123.37 1mda s THR 58 Ca 0.40 1.71 0.22 0.00 0.31 0.00 0.00 61.69 64.33 1mda s THR 58 Cb -0.25 -4.10 -0.22 0.00 0.01 0.00 0.00 72.50 67.94 1mda s THR 58 CO 0.31 0.11 0.77 0.18 -0.69 0.00 0.00 174.62 175.30 1mda n LEU 59 N 4.11 0.43 0.00 4.42 4.77 0.27 -4.89 117.00 126.12 1mda n LEU 59 Ca 0.08 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1mda n LEU 59 Cb 0.48 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1mda n LEU 59 CO 0.54 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1mda n GLY 60 N 1.32 0.76 3.44 -0.72 0.00 -1.14 -4.66 105.19 104.19 1mda n GLY 60 Ca -0.01 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 1mda n GLY 60 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1mda s HIS 61 N -2.82 -0.51 -0.01 1.61 2.46 -1.26 -2.73 115.29 112.04 1mda s HIS 61 Ca 0.00 0.35 -0.02 0.00 0.47 0.00 0.00 55.06 55.87 1mda s HIS 61 Cb 0.00 0.55 -0.00 0.00 -0.13 0.00 0.00 32.58 33.00 1mda s HIS 61 CO 0.00 -0.78 0.04 -1.12 -2.47 0.00 0.00 174.74 170.41 1mda s SER 62 N -2.61 0.02 -0.02 9.88 0.01 -0.49 -4.97 113.70 115.52 1mda s SER 62 Ca 0.01 -0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.20 1mda s SER 62 Cb -0.01 0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 1mda s SER 62 CO -0.11 -0.11 0.11 -0.76 0.41 0.00 0.00 173.24 172.78 1mda s LEU 63 N -0.43 4.05 0.00 2.44 1.43 -1.26 -1.68 118.68 123.23 1mda s LEU 63 Ca -0.05 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1mda s LEU 63 Cb -0.03 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 1mda s LEU 63 CO -0.00 0.28 0.37 0.61 0.23 0.00 0.00 176.35 177.84 1mda n GLY 64 N 1.20 2.51 0.00 -3.19 0.00 -0.87 -5.00 105.19 99.84 1mda n GLY 64 Ca -0.13 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1mda n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mda n ALA 65 N -0.92 0.00 -2.17 4.61 0.00 -1.26 -2.22 120.51 118.55 1mda n ALA 65 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 1mda n ALA 65 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 1mda n ALA 65 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1mda s PHE 66 N 4.24 2.17 -1.53 0.00 5.36 -0.02 -3.87 117.98 124.33 1mda s PHE 66 Ca 0.00 0.63 -0.12 0.00 -0.96 0.00 0.00 56.93 56.48 1mda s PHE 66 Cb 0.00 -4.07 0.08 0.00 -0.34 0.00 0.00 43.02 38.70 1mda s PHE 66 CO 0.00 -2.60 0.82 1.28 -1.46 0.00 0.00 175.22 173.26 1mda n LEU 67 N 8.81 -2.36 -4.76 6.12 4.77 -1.26 -4.24 117.00 124.08 1mda n LEU 67 Ca 0.19 -0.87 -0.35 0.00 -0.03 0.00 0.00 56.01 54.95 1mda n LEU 67 Cb 0.46 -2.40 0.03 0.00 -2.33 0.00 0.00 43.42 39.18 1mda n LEU 67 CO 0.66 0.41 0.79 -0.94 -1.33 0.00 0.00 177.39 176.99 1mda s SER 68 N -3.58 5.27 -0.24 -1.43 1.04 -1.26 -4.66 113.70 108.84 1mda s SER 68 Ca 0.51 2.21 -0.09 0.00 0.48 0.00 0.00 55.95 59.06 1mda s SER 68 Cb -0.27 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.23 1mda s SER 68 CO 0.86 -1.53 0.13 -0.22 0.98 0.00 0.00 173.24 173.46 1mda s LEU 69 N -4.27 3.86 0.03 2.42 1.98 -0.87 -4.91 118.68 116.92 1mda s LEU 69 Ca 0.73 -0.01 -0.24 0.00 -2.89 0.00 0.00 54.13 51.72 1mda s LEU 69 Cb -0.25 -2.04 -0.05 0.00 0.66 0.00 0.00 46.19 44.51 1mda s LEU 69 CO 0.34 0.03 0.74 0.00 -1.89 0.00 0.00 176.35 175.57 1mda s ALA 70 N 1.25 3.38 0.03 5.97 0.00 -1.26 -2.05 121.76 129.07 1mda s ALA 70 Ca 0.06 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1mda s ALA 70 Cb -0.14 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1mda s ALA 70 CO 0.05 0.06 -0.07 0.14 0.00 0.00 0.00 175.76 175.94 1mda s VAL 71 N 0.02 0.52 -0.08 0.00 -7.23 -0.17 -4.99 120.40 108.47 1mda s VAL 71 Ca 0.38 -0.88 -0.01 0.00 -1.81 0.00 0.00 61.98 59.66 1mda s VAL 71 Cb -0.20 -0.55 0.03 0.00 0.56 0.00 0.00 36.38 36.22 1mda s VAL 71 CO 0.22 -0.26 0.00 0.00 -0.31 0.00 0.00 175.10 174.75 1mda s ALA 72 N -1.07 0.73 0.23 1.32 0.00 -1.26 0.15 121.76 121.85 1mda s ALA 72 Ca -0.07 -0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 1mda s ALA 72 Cb -0.08 -0.77 -0.10 0.00 0.00 0.00 0.00 23.12 22.18 1mda s ALA 72 CO 0.00 -0.48 1.44 0.20 0.00 0.00 0.00 175.76 176.92 1mda s GLY 73 N 1.96 2.24 0.56 0.00 0.00 -0.28 -4.80 107.32 107.00 1mda s GLY 73 Ca 0.05 1.30 0.27 0.00 0.00 0.00 0.00 44.72 46.34 1mda s GLY 73 CO -0.05 2.30 2.19 0.45 0.00 0.00 0.00 173.10 177.98 1mda h HIS 74 N 5.32 0.00 0.00 1.90 3.86 -1.88 -0.92 115.15 123.43 1mda h HIS 74 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1mda h HIS 74 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1mda h HIS 74 CO 0.61 0.04 0.00 0.66 0.86 0.00 0.00 177.93 180.10 1mda h SER 75 N 0.00 0.00 0.00 2.45 4.64 -1.91 -3.29 113.55 115.44 1mda h SER 75 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mda h SER 75 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1mda h SER 75 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1mda n GLY 76 N 0.68 0.39 0.09 -0.77 0.00 -0.35 -4.98 105.19 100.26 1mda n GLY 76 Ca 0.03 -0.94 -0.03 0.00 0.00 0.00 0.00 46.02 45.08 1mda n GLY 76 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mda h SER 77 N 0.00 0.00 -4.86 1.61 4.64 -1.91 -3.43 113.55 109.60 1mda h SER 77 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1mda h SER 77 Cb 0.70 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.66 1mda h SER 77 CO 0.00 0.76 0.39 1.51 -0.87 0.00 0.00 176.83 178.62 1mda s ASP 78 N -6.16 -0.40 0.03 4.97 1.47 -1.26 -4.56 116.67 110.75 1mda s ASP 78 Ca -0.01 -0.09 0.01 0.00 1.18 0.00 0.00 52.55 53.64 1mda s ASP 78 Cb 0.09 0.48 -0.02 0.00 -0.34 0.00 0.00 42.92 43.13 1mda s ASP 78 CO 0.81 -0.81 -0.05 0.72 0.68 0.00 0.00 175.17 176.52 1mda s PHE 79 N -3.38 0.42 0.34 2.11 -0.71 -1.20 -1.12 117.98 114.44 1mda s PHE 79 Ca 0.05 -0.43 0.05 0.00 -1.04 0.00 0.00 56.93 55.56 1mda s PHE 79 Cb -0.01 -0.27 -0.02 0.00 -1.21 0.00 0.00 43.02 41.51 1mda s PHE 79 CO -0.08 -0.11 0.34 0.00 -1.34 0.00 0.00 175.22 174.03 1mda s ALA 80 N -1.18 1.55 -0.27 1.99 0.00 0.40 -1.73 121.76 122.52 1mda s ALA 80 Ca -0.10 -1.92 -0.13 0.00 0.00 0.00 0.00 51.96 49.81 1mda s ALA 80 Cb -0.08 1.38 0.09 0.00 0.00 0.00 0.00 23.12 24.51 1mda s ALA 80 CO -0.00 -0.70 0.63 -1.17 0.00 0.00 0.00 175.76 174.52 1mda s LEU 81 N -3.34 -0.90 -0.10 0.00 0.20 0.11 -1.00 118.68 113.66 1mda s LEU 81 Ca 0.38 1.44 -0.18 0.00 0.69 0.00 0.00 54.13 56.46 1mda s LEU 81 Cb 0.01 2.20 -0.04 0.00 -0.43 0.00 0.00 46.19 47.93 1mda s LEU 81 CO 0.26 -0.23 0.49 0.00 -0.29 0.00 0.00 176.35 176.58 1mda s ALA 82 N 2.05 3.48 0.22 5.97 0.00 -0.87 0.19 121.76 132.80 1mda s ALA 82 Ca -0.08 -0.16 -0.15 0.00 0.00 0.00 0.00 51.96 51.57 1mda s ALA 82 Cb -0.08 -2.65 0.01 0.00 0.00 0.00 0.00 23.12 20.40 1mda s ALA 82 CO -0.19 0.04 0.49 0.45 0.00 0.00 0.00 175.76 176.56 1mda s SER 83 N 0.46 -0.15 -0.02 0.00 0.15 0.17 -2.05 113.70 112.25 1mda s SER 83 Ca 0.27 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1mda s SER 83 Cb -0.16 0.58 0.02 0.00 -1.71 0.00 0.00 66.02 64.75 1mda s SER 83 CO 0.11 -1.09 0.01 -0.89 1.20 0.00 0.00 173.24 172.58 1mda s THR 84 N -3.95 0.10 0.15 6.45 2.01 -1.26 0.48 115.64 119.63 1mda s THR 84 Ca 0.15 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.28 1mda s THR 84 Cb -0.01 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.27 1mda s THR 84 CO 0.03 0.11 -0.04 -0.44 -0.69 0.00 0.00 174.62 173.59 1mda s SER 85 N 0.87 1.41 0.01 3.53 0.01 0.00 -2.09 113.70 117.44 1mda s SER 85 Ca -0.08 -1.09 0.02 0.00 1.31 0.00 0.00 55.95 56.10 1mda s SER 85 Cb -0.11 0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 1mda s SER 85 CO -0.02 -0.47 -0.05 -0.36 0.41 0.00 0.00 173.24 172.75 1mda s PHE 86 N -3.53 0.47 0.10 2.43 0.08 -1.25 0.36 117.98 116.63 1mda s PHE 86 Ca 0.19 -0.19 -0.31 0.00 0.12 0.00 0.00 56.93 56.74 1mda s PHE 86 Cb 0.05 -0.30 -0.07 0.00 -0.57 0.00 0.00 43.02 42.13 1mda s PHE 86 CO 0.01 -0.03 1.26 0.00 -0.10 0.00 0.00 175.22 176.36 1mda s ALA 87 N -0.46 3.46 -0.33 5.36 0.00 -0.13 -2.69 121.76 126.97 1mda s ALA 87 Ca -0.02 0.95 -0.02 0.00 0.00 0.00 0.00 51.96 52.87 1mda s ALA 87 Cb -0.04 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1mda s ALA 87 CO -0.00 -0.48 0.29 0.54 0.00 0.00 0.00 175.76 176.11 1mda n ARG 88 N 3.72 -1.93 -0.18 0.00 5.12 -1.26 -3.72 116.66 118.42 1mda n ARG 88 Ca 0.09 0.20 -0.05 0.00 -1.93 0.00 0.00 57.85 56.17 1mda n ARG 88 Cb 0.45 -3.33 -0.02 0.00 -1.16 0.00 0.00 32.46 28.40 1mda n ARG 88 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1mda n SER 89 N 0.16 0.04 0.00 0.55 2.88 -1.10 -2.97 113.62 113.19 1mda n SER 89 Ca -0.01 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1mda n SER 89 Cb 0.52 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1mda n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mda n ALA 90 N 1.24 0.00 -2.73 -1.46 0.00 -1.26 -5.00 120.51 111.31 1mda n ALA 90 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 1mda n ALA 90 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1mda n ALA 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1mda s LYS 91 N 0.00 1.43 0.75 0.00 -2.85 -1.16 -5.03 119.74 112.88 1mda s LYS 91 Ca 0.00 -1.47 0.00 0.00 -1.00 0.00 0.00 55.97 53.50 1mda s LYS 91 Cb 0.00 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 1mda s LYS 91 CO 0.00 -0.55 0.00 0.41 0.10 0.00 0.00 175.35 175.31 1mda n GLY 92 N -0.35 -1.79 3.73 0.59 0.00 -1.24 -3.59 105.19 102.53 1mda n GLY 92 Ca 0.00 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 1mda n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mda s LYS 93 N 0.00 4.14 0.07 1.61 2.36 -1.26 -4.61 119.74 122.05 1mda s LYS 93 Ca 0.00 2.55 -0.09 0.00 -2.55 0.00 0.00 55.97 55.87 1mda s LYS 93 Cb 0.00 -3.07 -0.06 0.00 -1.05 0.00 0.00 37.83 33.65 1mda s LYS 93 CO 0.00 -0.68 0.38 0.50 1.55 0.00 0.00 175.35 177.10 1mda s ARG 94 N 0.58 3.74 -0.05 4.03 3.52 -1.26 -0.96 118.95 128.54 1mda s ARG 94 Ca 0.70 0.14 -0.02 0.00 -0.13 0.00 0.00 55.73 56.42 1mda s ARG 94 Cb -0.48 -3.01 0.04 0.00 -1.56 0.00 0.00 34.95 29.94 1mda s ARG 94 CO 0.37 0.57 0.10 0.99 -0.81 0.00 0.00 175.30 176.52 1mda s THR 95 N -1.38 -0.14 0.04 4.11 2.01 0.16 -4.88 115.64 115.55 1mda s THR 95 Ca 0.32 0.33 -0.00 0.00 0.31 0.00 0.00 61.69 62.65 1mda s THR 95 Cb -0.14 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 1mda s THR 95 CO 0.18 0.14 0.16 -1.81 -0.69 0.00 0.00 174.62 172.60 1mda s ASP 96 N 1.85 6.14 0.06 3.53 1.01 -1.26 -0.82 116.67 127.19 1mda s ASP 96 Ca -0.00 0.23 -0.26 0.00 0.71 0.00 0.00 52.55 53.22 1mda s ASP 96 Cb -0.12 -1.85 0.08 0.00 1.01 0.00 0.00 42.92 42.04 1mda s ASP 96 CO -0.04 0.21 0.71 -0.72 0.21 0.00 0.00 175.17 175.53 1mda s TYR 97 N -1.40 -0.51 -0.15 4.23 1.13 0.18 -1.32 117.35 119.51 1mda s TYR 97 Ca 0.31 0.48 -0.07 0.00 -1.41 0.00 0.00 57.07 56.37 1mda s TYR 97 Cb -0.13 0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 41.21 1mda s TYR 97 CO 0.23 -0.70 0.11 0.08 -2.51 0.00 0.00 175.55 172.76 1mda s VAL 98 N -2.95 5.28 -0.05 -3.49 1.01 0.48 0.44 120.40 121.12 1mda s VAL 98 Ca -0.01 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1mda s VAL 98 Cb -0.01 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1mda s VAL 98 CO -0.07 0.55 -0.13 -0.70 0.00 0.00 0.00 175.10 174.76 1mda s GLU 99 N -0.48 1.50 -0.11 2.72 2.12 0.50 -0.50 118.70 124.44 1mda s GLU 99 Ca 0.12 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.02 1mda s GLU 99 Cb -0.12 -1.30 0.02 0.00 0.26 0.00 0.00 34.13 32.99 1mda s GLU 99 CO 0.02 0.12 -0.14 0.08 -0.54 0.00 0.00 175.26 174.80 1mda s VAL 100 N 0.33 1.42 0.10 3.70 1.01 -0.96 0.08 120.40 126.08 1mda s VAL 100 Ca -0.08 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1mda s VAL 100 Cb -0.12 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1mda s VAL 100 CO 0.02 0.43 -0.11 -0.36 0.00 0.00 0.00 175.10 175.08 1mda s PHE 101 N 1.15 2.73 0.08 5.22 0.40 -0.71 0.44 117.98 127.29 1mda s PHE 101 Ca -0.04 -0.16 -0.31 0.00 -0.60 0.00 0.00 56.93 55.82 1mda s PHE 101 Cb -0.14 -1.43 -0.07 0.00 0.51 0.00 0.00 43.02 41.88 1mda s PHE 101 CO -0.04 0.42 1.37 0.34 0.70 0.00 0.00 175.22 178.01 1mda s ASP 102 N -2.16 6.86 0.00 1.36 -1.08 -0.93 -3.26 116.67 117.46 1mda s ASP 102 Ca 0.21 2.24 0.18 0.00 -0.52 0.00 0.00 52.55 54.66 1mda s ASP 102 Cb -0.11 -2.58 0.80 0.00 -1.46 0.00 0.00 42.92 39.57 1mda s ASP 102 CO 0.13 -0.65 1.58 -0.81 0.52 0.00 0.00 175.17 175.94 1mda n PRO 103 N 4.30 0.05 -0.13 4.34 -0.04 -1.26 -0.97 135.00 141.28 1mda n PRO 103 Ca 0.12 0.18 -0.28 0.00 -0.04 0.00 0.00 63.50 63.47 1mda n PRO 103 Cb 0.43 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 1mda n PRO 103 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1mda n VAL 104 N -1.46 1.53 0.09 0.52 0.31 -1.26 -4.52 118.33 113.53 1mda n VAL 104 Ca 0.05 -0.38 0.11 0.00 -0.01 0.00 0.00 64.34 64.11 1mda n VAL 104 Cb 0.20 -1.84 -0.08 0.00 -0.91 0.00 0.00 33.84 31.21 1mda n VAL 104 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1mda n THR 105 N -4.14 0.29 -1.05 2.52 -2.24 -1.25 0.35 114.28 108.77 1mda n THR 105 Ca -0.52 -0.50 -0.02 0.00 -2.27 0.00 0.00 64.05 60.75 1mda n THR 105 Cb 0.89 -0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.98 1mda n THR 105 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1mda n PHE 106 N -2.42 0.00 -3.21 4.78 3.01 -0.14 -4.92 117.46 114.56 1mda n PHE 106 Ca -0.02 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.05 1mda n PHE 106 Cb 0.55 -0.92 -0.06 0.00 -0.01 0.00 0.00 39.48 39.04 1mda n PHE 106 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1mda s LEU 107 N -0.38 4.50 -0.00 4.37 1.43 -1.26 -4.79 118.68 122.55 1mda s LEU 107 Ca 0.00 1.28 -0.32 0.00 -1.03 0.00 0.00 54.13 54.06 1mda s LEU 107 Cb 0.00 -2.96 -0.10 0.00 0.03 0.00 0.00 46.19 43.16 1mda s LEU 107 CO 0.00 0.20 1.94 -2.65 0.23 0.00 0.00 176.35 176.07 1mda n PRO 108 N 2.08 2.62 0.02 1.29 -0.02 -1.26 -2.20 135.00 137.53 1mda n PRO 108 Ca -0.08 0.96 0.11 0.00 -2.02 0.00 0.00 63.50 62.47 1mda n PRO 108 Cb 0.51 -2.88 0.05 0.00 -0.02 0.00 0.00 33.50 31.16 1mda n PRO 108 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1mda n ILE 109 N 5.36 0.11 -3.49 4.25 -5.35 0.17 -4.92 119.36 115.50 1mda n ILE 109 Ca 0.21 -0.16 -0.15 0.00 -0.27 0.00 0.00 62.75 62.38 1mda n ILE 109 Cb 0.37 0.32 -0.04 0.00 -1.74 0.00 0.00 39.64 38.54 1mda n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mda s ALA 110 N -3.13 -1.73 -0.24 -1.28 0.00 -1.13 -5.01 121.76 109.24 1mda s ALA 110 Ca 0.06 1.06 -0.03 0.00 0.00 0.00 0.00 51.96 53.05 1mda s ALA 110 Cb 0.15 0.25 0.11 0.00 0.00 0.00 0.00 23.12 23.63 1mda s ALA 110 CO 0.79 -0.51 0.23 0.34 0.00 0.00 0.00 175.76 176.61 1mda s ASP 111 N -1.77 1.70 -0.16 0.00 -1.08 -1.26 -2.28 116.67 111.82 1mda s ASP 111 Ca -0.05 -0.49 -0.01 0.00 -0.52 0.00 0.00 52.55 51.48 1mda s ASP 111 Cb -0.00 0.34 -0.01 0.00 -1.46 0.00 0.00 42.92 41.78 1mda s ASP 111 CO 0.01 -0.36 -0.11 -0.63 0.52 0.00 0.00 175.17 174.60 1mda s ILE 112 N 2.31 3.06 0.15 4.11 1.01 0.34 -4.95 121.20 127.23 1mda s ILE 112 Ca 0.08 -0.64 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 1mda s ILE 112 Cb -0.15 -2.31 -0.08 0.00 0.01 0.00 0.00 42.46 39.93 1mda s ILE 112 CO -0.21 0.50 0.68 -1.61 0.00 0.00 0.00 174.94 174.30 1mda s GLU 113 N 0.73 4.33 -0.23 2.79 2.02 -1.26 0.18 118.70 127.26 1mda s GLU 113 Ca -0.05 0.91 -0.14 0.00 0.02 0.00 0.00 54.97 55.71 1mda s GLU 113 Cb -0.15 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 1mda s GLU 113 CO 0.02 0.54 0.30 -0.51 0.02 0.00 0.00 175.26 175.63 1mda s LEU 114 N -1.39 4.12 0.00 1.80 1.43 -0.43 -4.56 118.68 119.64 1mda s LEU 114 Ca 0.35 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 1mda s LEU 114 Cb -0.20 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1mda s LEU 114 CO 0.22 -0.04 0.75 -2.65 0.23 0.00 0.00 176.35 174.86 1mda n PRO 115 N 4.57 0.00 -1.95 1.29 -0.02 -1.26 -3.67 135.00 133.95 1mda n PRO 115 Ca -0.11 0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 61.83 1mda n PRO 115 Cb 0.51 -1.17 0.03 0.00 -0.02 0.00 0.00 33.50 32.86 1mda n PRO 115 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1mda n ASP 116 N -2.45 5.89 -3.71 2.55 8.00 -1.26 -4.95 116.55 120.63 1mda n ASP 116 Ca 0.00 -3.76 -0.28 0.00 0.71 0.00 0.00 54.79 51.45 1mda n ASP 116 Cb 0.00 -0.62 0.03 0.00 -0.02 0.00 0.00 41.12 40.52 1mda n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mda n ALA 117 N -0.69 -2.38 1.31 2.24 0.00 -1.24 -4.91 120.51 114.84 1mda n ALA 117 Ca 0.49 -0.22 0.13 0.00 0.00 0.00 0.00 53.44 53.84 1mda n ALA 117 Cb 0.73 -3.47 0.43 0.00 0.00 0.00 0.00 19.45 17.13 1mda n ALA 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1mda n PRO 118 N -4.19 1.01 -0.34 0.00 -0.04 -1.26 -4.84 135.00 125.35 1mda n PRO 118 Ca -0.16 -0.58 0.08 0.00 -0.04 0.00 0.00 63.50 62.80 1mda n PRO 118 Cb 0.62 -1.49 0.18 0.00 -0.04 0.00 0.00 33.50 32.78 1mda n PRO 118 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mda h ARG 119 N 1.42 0.01 -3.12 0.54 3.08 -1.91 -3.38 114.38 111.03 1mda h ARG 119 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mda h ARG 119 Cb 0.49 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1mda h ARG 119 CO 0.00 0.01 -0.08 0.34 -1.07 0.00 0.00 179.97 179.16 1mda n PHE 120 N -5.55 -0.25 -3.10 3.04 7.35 -1.26 -4.60 117.46 113.08 1mda n PHE 120 Ca 0.18 0.14 -0.40 0.00 -0.76 0.00 0.00 57.45 56.60 1mda n PHE 120 Cb 0.57 -1.64 -0.06 0.00 0.35 0.00 0.00 39.48 38.70 1mda n PHE 120 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1mda s SER 121 N -0.05 6.65 0.11 -2.13 0.01 -1.26 -5.04 113.70 111.99 1mda s SER 121 Ca -0.01 0.79 -0.25 0.00 1.31 0.00 0.00 55.95 57.79 1mda s SER 121 Cb 0.00 -2.35 0.07 0.00 0.21 0.00 0.00 66.02 63.95 1mda s SER 121 CO 0.05 -0.33 0.62 -0.69 0.41 0.00 0.00 173.24 173.30 1mda s VAL 122 N 2.21 0.00 0.29 3.43 1.01 -1.26 -5.11 120.40 120.97 1mda s VAL 122 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1mda s VAL 122 Cb -0.16 -1.00 -0.12 0.00 0.00 0.00 0.00 36.38 35.11 1mda s VAL 122 CO 0.09 0.00 1.57 0.61 0.00 0.00 0.00 175.10 177.38 1mda n GLY 123 N -0.10 1.28 3.81 4.51 0.00 -1.26 -4.85 105.19 108.58 1mda n GLY 123 Ca -0.17 0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 1mda n GLY 123 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1mda s PRO 124 N -0.53 3.94 -0.03 1.61 0.02 -1.26 -5.06 135.00 133.69 1mda s PRO 124 Ca 0.64 1.26 0.01 0.00 0.02 0.00 0.00 61.00 62.94 1mda s PRO 124 Cb -0.51 -2.12 0.01 0.00 0.02 0.00 0.00 34.50 31.90 1mda s PRO 124 CO 0.49 -0.29 -0.05 1.03 -0.33 0.00 0.00 177.00 177.84 1mda s ARG 125 N -3.26 0.76 0.28 5.54 3.00 -1.26 -5.01 118.95 119.00 1mda s ARG 125 Ca 0.65 -0.16 -0.30 0.00 0.00 0.00 0.00 55.73 55.92 1mda s ARG 125 Cb -0.14 -0.75 -0.12 0.00 0.00 0.00 0.00 34.95 33.94 1mda s ARG 125 CO 0.18 -0.00 1.49 1.33 0.00 0.00 0.00 175.30 178.30 1mda n VAL 126 N 3.67 1.11 -0.06 3.52 0.24 -1.26 -2.67 118.33 122.88 1mda n VAL 126 Ca -0.22 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1mda n VAL 126 Cb 0.53 -1.74 0.00 0.00 -1.47 0.00 0.00 33.84 31.16 1mda n VAL 126 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1mda n HIS 127 N 1.84 0.00 1.12 6.34 8.25 -1.26 -4.70 115.22 126.81 1mda n HIS 127 Ca 0.09 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.68 1mda n HIS 127 Cb 0.35 0.00 0.32 0.00 1.12 0.00 0.00 29.99 31.78 1mda n HIS 127 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1mda n ILE 128 N -2.00 0.12 -3.66 1.59 3.06 -1.09 -1.11 119.36 116.27 1mda n ILE 128 Ca 0.00 -0.42 -0.07 0.00 -2.50 0.00 0.00 62.75 59.77 1mda n ILE 128 Cb 0.00 0.83 -0.08 0.00 0.54 0.00 0.00 39.64 40.93 1mda n ILE 128 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1mda s ILE 129 N -1.88 -0.51 0.06 9.51 1.01 -1.26 -3.47 121.20 124.65 1mda s ILE 129 Ca 0.34 0.08 -0.15 0.00 0.00 0.00 0.00 60.65 60.93 1mda s ILE 129 Cb 0.20 -0.80 0.02 0.00 0.01 0.00 0.00 42.46 41.90 1mda s ILE 129 CO 0.31 0.03 0.33 -0.83 0.00 0.00 0.00 174.94 174.78 1mda s GLY 130 N 2.29 -0.16 0.41 6.18 0.00 -0.42 -4.96 107.32 110.66 1mda s GLY 130 Ca -0.06 -0.00 -0.23 0.00 0.00 0.00 0.00 44.72 44.43 1mda s GLY 130 CO -0.16 -0.23 0.98 -1.31 0.00 0.00 0.00 173.10 172.38 1mda s ASN 131 N -2.27 6.91 0.45 1.64 0.02 -1.26 0.15 114.94 120.58 1mda s ASN 131 Ca -0.03 1.82 -0.02 0.00 -1.02 0.00 0.00 52.86 53.61 1mda s ASN 131 Cb 0.00 -2.56 -0.02 0.00 0.02 0.00 0.00 41.25 38.69 1mda s ASN 131 CO -0.05 -0.38 0.70 0.00 0.02 0.00 0.00 177.10 177.39 1mda h ALA 133 N 0.38 2.24 0.00 0.00 0.00 -1.86 0.90 119.26 120.92 1mda h ALA 133 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1mda h ALA 133 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1mda h ALA 133 CO 0.60 -0.68 -0.45 -1.13 0.00 0.00 0.00 179.25 177.59 1mda n SER 134 N -3.88 0.55 -1.61 0.00 3.41 -1.26 -4.95 113.62 105.88 1mda n SER 134 Ca 0.09 0.08 -0.18 0.00 -0.26 0.00 0.00 58.87 58.60 1mda n SER 134 Cb 0.64 0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.56 1mda n SER 134 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1mda n SER 135 N -1.84 -5.24 0.05 4.04 7.64 0.31 -4.85 113.62 113.72 1mda n SER 135 Ca 0.05 0.31 0.11 0.00 1.01 0.00 0.00 58.87 60.35 1mda n SER 135 Cb 0.39 -4.34 0.05 0.00 -1.01 0.00 0.00 64.21 59.30 1mda n SER 135 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mda n ALA 136 N 0.36 3.11 -2.24 -0.43 0.00 -1.26 -4.92 120.51 115.13 1mda n ALA 136 Ca -0.19 -0.34 -0.12 0.00 0.00 0.00 0.00 53.44 52.78 1mda n ALA 136 Cb 0.62 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.94 1mda n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda s LEU 138 N -3.00 1.04 -0.05 0.00 0.20 -0.71 -1.38 118.68 114.78 1mda s LEU 138 Ca 0.12 -0.46 -0.15 0.00 0.69 0.00 0.00 54.13 54.34 1mda s LEU 138 Cb 0.03 -0.62 -0.05 0.00 -0.43 0.00 0.00 46.19 45.12 1mda s LEU 138 CO -0.03 -0.22 0.39 -0.76 -0.29 0.00 0.00 176.35 175.44 1mda s LEU 139 N 1.84 4.40 0.02 -0.68 2.01 0.41 -1.38 118.68 125.30 1mda s LEU 139 Ca 0.02 0.84 0.01 0.00 0.01 0.00 0.00 54.13 55.01 1mda s LEU 139 Cb -0.14 -2.54 -0.02 0.00 0.01 0.00 0.00 46.19 43.50 1mda s LEU 139 CO -0.07 0.24 -0.04 0.72 1.01 0.00 0.00 176.35 178.21 1mda s PHE 140 N -0.54 0.34 -0.10 0.29 -0.12 -0.16 -1.30 117.98 116.40 1mda s PHE 140 Ca 0.22 -0.40 -0.18 0.00 -0.05 0.00 0.00 56.93 56.52 1mda s PHE 140 Cb -0.16 -0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 41.97 1mda s PHE 140 CO 0.11 -0.12 0.48 0.12 -0.05 0.00 0.00 175.22 175.77 1mda s PHE 141 N -1.09 3.55 -0.15 3.49 5.36 -1.23 0.30 117.98 128.22 1mda s PHE 141 Ca -0.10 0.93 -0.05 0.00 -0.96 0.00 0.00 56.93 56.75 1mda s PHE 141 Cb -0.08 -2.54 -0.03 0.00 -0.34 0.00 0.00 43.02 40.03 1mda s PHE 141 CO -0.00 0.23 0.01 -1.17 -1.46 0.00 0.00 175.22 172.83 1mda s LEU 142 N 0.39 3.56 -0.16 6.12 0.20 0.33 -4.17 118.68 124.95 1mda s LEU 142 Ca 0.26 0.03 -0.12 0.00 0.69 0.00 0.00 54.13 54.99 1mda s LEU 142 Cb -0.16 -1.86 -0.07 0.00 -0.43 0.00 0.00 46.19 43.67 1mda s LEU 142 CO 0.11 0.23 -0.27 0.33 -0.29 0.00 0.00 176.35 176.46 1mda n PHE 143 N 3.15 0.00 -2.64 5.38 -0.00 -1.26 -0.32 117.46 121.76 1mda n PHE 143 Ca -0.17 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.87 1mda n PHE 143 Cb 0.53 -0.57 -0.05 0.00 -0.00 0.00 0.00 39.48 39.39 1mda n PHE 143 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1mda s GLY 144 N -5.02 2.99 0.00 7.13 0.00 -1.26 -3.72 107.32 107.43 1mda s GLY 144 Ca -0.26 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.15 1mda s GLY 144 CO 0.35 1.46 0.00 -1.26 0.00 0.00 0.00 173.10 173.65 1mda n SER 145 N 2.19 0.00 -3.74 1.64 2.88 -1.26 -4.90 113.62 110.42 1mda n SER 145 Ca 0.01 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.42 1mda n SER 145 Cb 0.47 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.84 1mda n SER 145 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1mda s SER 146 N 0.00 -0.28 -0.02 -3.46 1.04 -1.24 -5.12 113.70 104.62 1mda s SER 146 Ca 0.00 0.36 -0.30 0.00 0.48 0.00 0.00 55.95 56.49 1mda s SER 146 Cb 0.00 0.49 -0.07 0.00 0.10 0.00 0.00 66.02 66.54 1mda s SER 146 CO 0.00 -0.34 1.76 0.00 0.98 0.00 0.00 173.24 175.64 1mda s ALA 147 N -0.76 3.61 0.05 5.32 0.00 -1.25 -4.29 121.76 124.44 1mda s ALA 147 Ca -0.08 1.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.80 1mda s ALA 147 Cb -0.04 -3.78 0.03 0.00 0.00 0.00 0.00 23.12 19.33 1mda s ALA 147 CO 0.03 -1.44 0.36 0.00 0.00 0.00 0.00 175.76 174.71 1mda s ALA 148 N 4.09 -0.84 -0.33 0.00 0.00 0.56 -2.93 121.76 122.30 1mda s ALA 148 Ca 0.78 0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.83 1mda s ALA 148 Cb -0.37 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.14 1mda s ALA 148 CO 0.34 -0.44 0.09 0.00 0.00 0.00 0.00 175.76 175.75 1mda s ALA 149 N -2.55 3.01 0.09 0.00 0.00 0.12 0.12 121.76 122.56 1mda s ALA 149 Ca -0.05 -1.76 -0.28 0.00 0.00 0.00 0.00 51.96 49.87 1mda s ALA 149 Cb -0.01 -2.22 -0.06 0.00 0.00 0.00 0.00 23.12 20.83 1mda s ALA 149 CO -0.03 -1.34 0.88 0.20 0.00 0.00 0.00 175.76 175.47 1mda s GLY 150 N 1.40 2.92 -0.37 0.00 0.00 0.15 0.13 107.32 111.54 1mda s GLY 150 Ca -0.02 0.45 -0.08 0.00 0.00 0.00 0.00 44.72 45.07 1mda s GLY 150 CO 0.02 1.29 0.17 -2.27 0.00 0.00 0.00 173.10 172.31 1mda s LEU 151 N -0.07 4.62 -0.17 0.66 0.20 0.44 -0.98 118.68 123.37 1mda s LEU 151 Ca 0.43 -1.19 -0.05 0.00 0.69 0.00 0.00 54.13 54.01 1mda s LEU 151 Cb -0.22 -1.94 -0.03 0.00 -0.43 0.00 0.00 46.19 43.57 1mda s LEU 151 CO 0.27 -0.39 0.01 -0.55 -0.29 0.00 0.00 176.35 175.40 1mda s SER 152 N 1.59 5.16 -0.32 3.68 0.15 -0.48 0.17 113.70 123.66 1mda s SER 152 Ca 0.00 -0.05 -0.08 0.00 0.70 0.00 0.00 55.95 56.52 1mda s SER 152 Cb -0.20 -1.87 0.01 0.00 -1.71 0.00 0.00 66.02 62.25 1mda s SER 152 CO 0.04 0.16 0.13 0.54 1.20 0.00 0.00 173.24 175.30 1mda s VAL 153 N 0.46 4.24 -1.09 4.45 0.11 0.12 -1.74 120.40 126.97 1mda s VAL 153 Ca -0.00 -0.72 -0.22 0.00 -2.93 0.00 0.00 61.98 58.11 1mda s VAL 153 Cb -0.13 -3.25 0.05 0.00 -1.53 0.00 0.00 36.38 31.52 1mda s VAL 153 CO 0.02 -0.03 1.53 -2.84 -3.33 0.00 0.00 175.10 170.45 1mda s PRO 154 N 1.53 3.67 0.00 1.54 0.02 -0.79 0.20 135.00 141.17 1mda s PRO 154 Ca 0.02 -1.32 0.00 0.00 0.02 0.00 0.00 61.00 59.72 1mda s PRO 154 Cb -0.18 -5.40 0.00 0.00 0.02 0.00 0.00 34.50 28.94 1mda s PRO 154 CO 0.04 -2.25 0.05 0.41 -0.33 0.00 0.00 177.00 174.93 1mda n GLY 155 N 6.52 0.68 2.83 0.52 0.00 -1.26 -4.90 105.19 109.58 1mda n GLY 155 Ca 0.37 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.27 1mda n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mda n ALA 156 N 0.00 -1.94 -3.62 4.61 0.00 -0.14 -5.07 120.51 114.35 1mda n ALA 156 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 1mda n ALA 156 Cb 0.34 -4.15 -0.07 0.00 0.00 0.00 0.00 19.45 15.58 1mda n ALA 156 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mda s SER 157 N -3.41 -0.56 0.18 0.00 0.15 0.54 -4.97 113.70 105.64 1mda s SER 157 Ca 0.30 0.99 -0.31 0.00 0.70 0.00 0.00 55.95 57.62 1mda s SER 157 Cb -0.04 0.97 -0.10 0.00 -1.71 0.00 0.00 66.02 65.14 1mda s SER 157 CO 0.56 -0.25 1.58 -0.62 1.20 0.00 0.00 173.24 175.72 1mda s ASP 158 N -0.01 6.55 -0.01 5.45 2.15 -1.26 0.16 116.67 129.71 1mda s ASP 158 Ca 0.00 2.67 -0.00 0.00 0.43 0.00 0.00 52.55 55.65 1mda s ASP 158 Cb -0.04 -2.60 -0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1mda s ASP 158 CO -0.01 -0.84 -0.01 -0.67 -0.17 0.00 0.00 175.17 173.47 1mda n ASP 159 N 3.77 0.06 -3.56 -0.34 -0.08 0.45 -4.83 116.55 112.03 1mda n ASP 159 Ca 0.13 0.14 -0.17 0.00 -1.51 0.00 0.00 54.79 53.39 1mda n ASP 159 Cb 0.38 -0.51 -0.06 0.00 2.34 0.00 0.00 41.12 43.27 1mda n ASP 159 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1mda s GLN 160 N -1.05 1.00 -0.51 -0.67 0.74 -1.09 -5.00 119.66 113.08 1mda s GLN 160 Ca -0.01 0.13 -0.20 0.00 0.05 0.00 0.00 55.36 55.33 1mda s GLN 160 Cb 0.00 0.47 0.05 0.00 1.10 0.00 0.00 33.01 34.63 1mda s GLN 160 CO 0.01 -0.32 0.69 -0.51 -0.55 0.00 0.00 175.29 174.61 1mda s LEU 161 N -1.31 4.78 -0.67 3.68 2.01 -1.26 -0.42 118.68 125.49 1mda s LEU 161 Ca -0.11 -0.78 -0.27 0.00 0.01 0.00 0.00 54.13 52.98 1mda s LEU 161 Cb -0.01 -2.53 0.03 0.00 0.01 0.00 0.00 46.19 43.69 1mda s LEU 161 CO 0.08 -0.95 1.21 -0.89 1.01 0.00 0.00 176.35 176.81 1mda s THR 162 N 2.88 3.90 0.22 5.49 2.01 0.35 -4.90 115.64 125.59 1mda s THR 162 Ca 0.18 0.54 -0.31 0.00 0.31 0.00 0.00 61.69 62.41 1mda s THR 162 Cb -0.18 -4.82 -0.10 0.00 0.01 0.00 0.00 72.50 67.41 1mda s THR 162 CO 0.14 -1.61 1.50 -0.54 -0.69 0.00 0.00 174.62 173.41 1mda s LYS 163 N 5.27 4.23 0.24 4.92 1.02 -1.26 0.16 119.74 134.32 1mda s LYS 163 Ca 0.37 2.35 0.02 0.00 0.02 0.00 0.00 55.97 58.72 1mda s LYS 163 Cb -0.09 -3.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 1mda s LYS 163 CO 0.19 -0.51 0.06 -1.12 -0.92 0.00 0.00 175.35 173.05 1mda s SER 164 N 0.68 1.33 1.08 2.83 0.01 -1.15 -4.89 113.70 113.58 1mda s SER 164 Ca 0.64 -1.32 -0.17 0.00 1.31 0.00 0.00 55.95 56.41 1mda s SER 164 Cb -0.43 0.12 0.23 0.00 0.21 0.00 0.00 66.02 66.15 1mda s SER 164 CO 0.39 -0.67 1.17 0.00 0.41 0.00 0.00 173.24 174.54 1mda s ALA 165 N -3.67 1.23 -0.78 1.44 0.00 -1.26 -4.70 121.76 114.02 1mda s ALA 165 Ca 0.34 -0.89 -0.25 0.00 0.00 0.00 0.00 51.96 51.15 1mda s ALA 165 Cb 0.07 -2.90 -0.08 0.00 0.00 0.00 0.00 23.12 20.21 1mda s ALA 165 CO 0.11 -3.02 2.17 0.45 0.00 0.00 0.00 175.76 175.47 1mda s SER 166 N -4.13 4.59 -0.04 0.00 0.15 -1.26 -4.83 113.70 108.18 1mda s SER 166 Ca 0.70 -0.08 -0.26 0.00 0.70 0.00 0.00 55.95 57.00 1mda s SER 166 Cb -0.10 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.72 1mda s SER 166 CO 0.55 -3.16 0.57 0.00 1.20 0.00 0.00 173.24 172.40 1mda n PHE 168 N 0.99 0.00 -0.66 0.00 3.01 -1.13 -4.95 117.46 114.73 1mda n PHE 168 Ca -0.20 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 57.96 1mda n PHE 168 Cb 0.57 0.00 0.28 0.00 -0.01 0.00 0.00 39.48 40.31 1mda n PHE 168 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1mda s HIS 169 N -0.65 -0.48 -0.20 1.38 3.76 -1.21 -4.86 115.29 113.03 1mda s HIS 169 Ca 0.00 0.45 -0.04 0.00 -0.15 0.00 0.00 55.06 55.32 1mda s HIS 169 Cb 0.00 -3.14 0.09 0.00 1.11 0.00 0.00 32.58 30.63 1mda s HIS 169 CO 0.00 -4.70 0.19 0.42 -0.85 0.00 0.00 174.74 169.80 1mda s ILE 170 N -2.58 -0.28 -0.25 0.60 1.01 -0.27 -3.60 121.20 115.83 1mda s ILE 170 Ca 0.70 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 61.25 1mda s ILE 170 Cb -0.10 -0.65 0.06 0.00 0.01 0.00 0.00 42.46 41.78 1mda s ILE 170 CO 0.56 -0.22 -0.07 -1.00 0.00 0.00 0.00 174.94 174.21 1mda s HIS 171 N 2.29 2.86 -0.17 3.97 3.76 0.05 -4.67 115.29 123.38 1mda s HIS 171 Ca 0.06 -2.08 -0.29 0.00 -0.15 0.00 0.00 55.06 52.60 1mda s HIS 171 Cb -0.16 -1.80 -0.01 0.00 1.11 0.00 0.00 32.58 31.72 1mda s HIS 171 CO -0.11 -0.83 1.23 -2.14 -0.85 0.00 0.00 174.74 172.04 1mda s PRO 172 N 1.24 4.24 -0.08 8.40 0.02 -1.26 0.28 135.00 147.84 1mda s PRO 172 Ca -0.07 1.63 0.03 0.00 0.02 0.00 0.00 61.00 62.61 1mda s PRO 172 Cb -0.19 -3.74 -0.25 0.00 0.02 0.00 0.00 34.50 30.34 1mda s PRO 172 CO -0.06 -0.69 0.52 0.41 -0.33 0.00 0.00 177.00 176.85 1mda n GLY 173 N 3.57 -0.78 3.68 0.52 0.00 -0.09 -4.76 105.19 107.33 1mda n GLY 173 Ca 0.14 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1mda n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mda s ALA 174 N -2.58 -0.38 0.52 4.61 0.00 -0.21 -4.45 121.76 119.26 1mda s ALA 174 Ca -0.13 -0.84 0.33 0.00 0.00 0.00 0.00 51.96 51.31 1mda s ALA 174 Cb 0.07 0.95 1.46 0.00 0.00 0.00 0.00 23.12 25.61 1mda s ALA 174 CO 0.80 -0.91 1.80 0.00 0.00 0.00 0.00 175.76 177.45 1mda h ALA 175 N 2.11 2.93 0.00 0.00 0.00 -1.95 -1.93 119.26 120.43 1mda h ALA 175 Ca -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1mda h ALA 175 Cb 1.25 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1mda h ALA 175 CO 0.34 -1.28 -0.30 0.00 0.00 0.00 0.00 179.25 178.01 1mda n ALA 176 N -2.71 2.05 -3.37 0.00 0.00 -1.26 -4.92 120.51 110.29 1mda n ALA 176 Ca 0.25 -1.53 -0.13 0.00 0.00 0.00 0.00 53.44 52.04 1mda n ALA 176 Cb 1.16 -0.43 -0.13 0.00 0.00 0.00 0.00 19.45 20.06 1mda n ALA 176 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1mda s THR 177 N -0.99 -0.02 0.03 0.00 2.01 -0.72 -1.58 115.64 114.36 1mda s THR 177 Ca 0.11 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.09 1mda s THR 177 Cb 0.09 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.28 1mda s THR 177 CO 0.01 0.03 0.18 -1.38 -0.69 0.00 0.00 174.62 172.77 1mda s HIS 178 N 0.61 0.05 -0.63 4.92 -0.00 0.93 -0.92 115.29 120.26 1mda s HIS 178 Ca -0.04 -0.25 -0.13 0.00 -0.00 0.00 0.00 55.06 54.64 1mda s HIS 178 Cb -0.06 -0.04 0.16 0.00 -0.00 0.00 0.00 32.58 32.65 1mda s HIS 178 CO -0.03 -0.40 0.56 0.71 -0.00 0.00 0.00 174.74 175.57 1mda s TYR 179 N -2.34 3.46 -1.32 0.38 1.51 0.80 -0.05 117.35 119.80 1mda s TYR 179 Ca -0.07 -1.72 -0.13 0.00 -1.01 0.00 0.00 57.07 54.14 1mda s TYR 179 Cb -0.02 -3.72 0.12 0.00 -0.11 0.00 0.00 41.96 38.23 1mda s TYR 179 CO -0.03 -0.99 1.87 -0.11 -1.11 0.00 0.00 175.55 175.18 1mda n LEU 180 N 4.64 6.17 0.00 -1.29 7.94 -1.06 -0.77 117.00 132.63 1mda n LEU 180 Ca -0.02 -4.35 0.00 0.00 -1.11 0.00 0.00 56.01 50.53 1mda n LEU 180 Cb 0.42 -1.60 0.00 0.00 0.53 0.00 0.00 43.42 42.77 1mda n LEU 180 CO 0.44 0.98 0.00 0.61 -1.11 0.00 0.00 177.39 178.31 1mda n GLY 181 N 3.83 -0.01 2.19 -3.96 0.00 -1.24 -2.77 105.19 103.23 1mda n GLY 181 Ca 0.44 -1.81 -0.00 0.00 0.00 0.00 0.00 46.02 44.65 1mda n GLY 181 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mda n SER 182 N -2.03 -4.41 -3.75 1.61 2.88 -1.26 -3.29 113.62 103.38 1mda n SER 182 Ca 0.00 1.40 -0.12 0.00 -1.33 0.00 0.00 58.87 58.82 1mda n SER 182 Cb 0.00 -3.22 -0.06 0.00 -0.75 0.00 0.00 64.21 60.18 1mda n SER 182 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mda h PRO 184 N 2.28 0.04 -1.27 0.00 0.11 -1.98 -2.64 132.00 128.54 1mda h PRO 184 Ca -0.29 -0.04 -0.29 0.00 0.11 0.00 0.00 66.00 65.49 1mda h PRO 184 Cb 1.25 0.01 -0.15 0.00 0.11 0.00 0.00 31.00 32.22 1mda h PRO 184 CO 0.40 0.85 0.38 0.00 -0.21 0.00 0.00 178.00 179.42 1mda n ALA 185 N -2.40 4.60 0.00 -0.75 0.00 -1.26 -4.98 120.51 115.73 1mda n ALA 185 Ca -0.01 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.87 1mda n ALA 185 Cb 0.79 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1mda n ALA 185 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mda n SER 186 N 0.03 0.00 -1.95 0.00 7.64 -0.99 -4.70 113.62 113.64 1mda n SER 186 Ca 0.30 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.18 1mda n SER 186 Cb 0.81 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 64.01 1mda n SER 186 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1mda n LEU 187 N 1.44 -5.27 -4.55 -3.43 0.00 -1.26 -4.05 117.00 99.89 1mda n LEU 187 Ca 0.00 2.00 -0.34 0.00 0.00 0.00 0.00 56.01 57.68 1mda n LEU 187 Cb 0.00 -2.58 -0.12 0.00 0.00 0.00 0.00 43.42 40.72 1mda n LEU 187 CO 0.00 -2.06 -0.39 0.00 0.00 0.00 0.00 177.39 174.93 1mda s ALA 188 N -0.42 2.91 -0.28 1.96 0.00 -1.12 -0.87 121.76 123.94 1mda s ALA 188 Ca -0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 1mda s ALA 188 Cb 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1mda s ALA 188 CO 0.00 0.52 0.25 0.00 0.00 0.00 0.00 175.76 176.53 1mda s ALA 189 N -0.63 3.54 -0.21 0.00 0.00 0.35 -2.56 121.76 122.26 1mda s ALA 189 Ca 0.09 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 1mda s ALA 189 Cb -0.11 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.43 1mda s ALA 189 CO 0.02 -0.60 -0.04 -1.12 0.00 0.00 0.00 175.76 174.02 1mda s SER 190 N 1.72 4.39 -0.42 0.00 0.01 0.93 -1.05 113.70 119.29 1mda s SER 190 Ca 0.10 -0.34 -0.05 0.00 1.31 0.00 0.00 55.95 56.96 1mda s SER 190 Cb -0.16 -1.75 0.11 0.00 0.21 0.00 0.00 66.02 64.43 1mda s SER 190 CO 0.11 0.02 0.23 -0.62 0.41 0.00 0.00 173.24 173.39 1mda s ASP 191 N 1.26 5.39 0.00 2.44 2.15 -1.26 -0.05 116.67 126.61 1mda s ASP 191 Ca 0.03 -1.90 0.20 0.00 0.43 0.00 0.00 52.55 51.31 1mda s ASP 191 Cb -0.14 -1.89 0.81 0.00 -0.30 0.00 0.00 42.92 41.40 1mda s ASP 191 CO -0.01 -0.56 1.57 0.00 -0.17 0.00 0.00 175.17 176.00 1mda n LEU 192 N 4.71 1.29 -4.64 -1.34 -0.00 -0.62 -1.46 117.00 114.94 1mda n LEU 192 Ca -0.05 -0.54 -0.31 0.00 -0.00 0.00 0.00 56.01 55.11 1mda n LEU 192 Cb 0.41 -0.08 0.17 0.00 -0.00 0.00 0.00 43.42 43.92 1mda n LEU 192 CO 0.36 0.27 0.60 0.00 -0.00 0.00 0.00 177.39 178.61 1mda n ALA 193 N 0.08 -1.04 -0.67 1.47 0.00 -1.24 -4.62 120.51 114.48 1mda n ALA 193 Ca 0.15 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1mda n ALA 193 Cb 0.27 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1mda n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda n ALA 194 N -4.21 0.00 0.06 0.00 0.00 -1.26 -3.16 120.51 111.94 1mda n ALA 194 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.50 1mda n ALA 194 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1mda n ALA 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda h ALA 195 N -0.67 -0.25 -3.00 0.00 0.00 -2.01 -3.50 119.26 109.83 1mda h ALA 195 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1mda h ALA 195 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1mda h ALA 195 CO 0.00 -0.25 0.00 -0.35 0.00 0.00 0.00 179.25 178.65 1mda n PRO 196 N -4.94 3.61 -3.89 0.00 -0.04 -1.19 -5.13 135.00 123.42 1mda n PRO 196 Ca -0.04 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.17 1mda n PRO 196 Cb 0.14 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.43 1mda n PRO 196 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mda s ALA 197 N -3.06 1.03 0.00 0.55 0.00 -1.26 -3.65 121.76 115.37 1mda s ALA 197 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1mda s ALA 197 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1mda s ALA 197 CO 0.00 -0.39 0.28 0.00 0.00 0.00 0.00 175.76 175.65 1mda n ALA 198 N 4.93 -0.06 -1.98 0.00 0.00 -0.54 -4.98 120.51 117.88 1mda n ALA 198 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.32 1mda n ALA 198 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1mda n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda n ALA 199 N -0.94 -3.17 -2.69 0.00 0.00 -1.23 -4.97 120.51 107.51 1mda n ALA 199 Ca 0.00 0.23 -0.33 0.00 0.00 0.00 0.00 53.44 53.34 1mda n ALA 199 Cb 0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 19.45 18.79 1mda n ALA 199 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1mda s GLY 200 N -0.77 1.56 -0.11 0.00 0.00 -0.21 -4.94 107.32 102.85 1mda s GLY 200 Ca 0.01 -0.93 -0.03 0.00 0.00 0.00 0.00 44.72 43.77 1mda s GLY 200 CO 0.31 -0.55 0.01 -0.42 0.00 0.00 0.00 173.10 172.45 1mda s ILE 201 N -0.37 4.40 0.91 0.90 1.01 -1.26 0.13 121.20 126.92 1mda s ILE 201 Ca 0.04 -0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 1mda s ILE 201 Cb -0.12 -2.88 0.14 0.00 0.01 0.00 0.00 42.46 39.60 1mda s ILE 201 CO 0.02 0.57 1.11 -0.69 0.00 0.00 0.00 174.94 175.96 1mda s VAL 202 N -0.54 2.28 -0.49 2.92 1.01 -0.05 -4.98 120.40 120.55 1mda s VAL 202 Ca 0.09 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.88 1mda s VAL 202 Cb -0.12 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.55 1mda s VAL 202 CO 0.02 -0.12 1.10 -0.83 0.00 0.00 0.00 175.10 175.27 1mda s GLY 203 N -3.78 1.31 -0.84 4.51 0.00 -1.26 -4.89 107.32 102.36 1mda s GLY 203 Ca 0.64 -0.60 -0.26 0.00 0.00 0.00 0.00 44.72 44.50 1mda s GLY 203 CO 0.55 2.35 2.26 0.00 0.00 0.00 0.00 173.10 178.26 1mda n ALA 204 N 7.80 0.26 -1.60 3.20 0.00 -1.26 -4.97 120.51 123.94 1mda n ALA 204 Ca 0.10 -0.24 -0.30 0.00 0.00 0.00 0.00 53.44 53.00 1mda n ALA 204 Cb 0.49 -1.91 0.09 0.00 0.00 0.00 0.00 19.45 18.12 1mda n ALA 204 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1mda s GLN 205 N 7.53 2.01 0.49 0.00 1.03 -1.26 -4.86 119.66 124.60 1mda s GLN 205 Ca 1.14 0.54 0.00 0.00 0.04 0.00 0.00 55.36 57.08 1mda s GLN 205 Cb -1.05 -1.92 0.00 0.00 0.03 0.00 0.00 33.01 30.07 1mda s GLN 205 CO 0.41 -1.65 0.00 0.00 -2.54 0.00 0.00 175.29 171.52 1mda s THR 207 N -4.36 4.24 0.59 0.00 -4.23 -1.26 -5.00 115.64 105.62 1mda s THR 207 Ca 0.00 -1.22 0.29 0.00 -1.18 0.00 0.00 61.69 59.58 1mda s THR 207 Cb 0.00 -3.43 0.38 0.00 1.34 0.00 0.00 72.50 70.79 1mda s THR 207 CO 0.00 -0.25 1.87 1.23 -0.54 0.00 0.00 174.62 176.93 1mda h GLY 208 N 1.21 0.00 1.63 3.99 0.00 -1.95 0.15 103.07 108.10 1mda h GLY 208 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1mda h GLY 208 CO 0.58 0.00 -0.27 0.00 0.00 0.00 0.00 176.54 176.85 1mda n ALA 209 N -2.32 2.59 -2.56 3.60 0.00 -1.26 -4.79 120.51 115.77 1mda n ALA 209 Ca 0.09 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 1mda n ALA 209 Cb 0.70 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 1mda n ALA 209 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1mda s GLN 210 N -3.12 3.65 -0.34 0.00 -0.21 0.53 -5.04 119.66 115.13 1mda s GLN 210 Ca 0.09 -0.22 -0.19 0.00 0.02 0.00 0.00 55.36 55.06 1mda s GLN 210 Cb 0.13 -3.79 -0.00 0.00 1.00 0.00 0.00 33.01 30.35 1mda s GLN 210 CO 0.65 -0.56 0.59 -0.80 -2.12 0.00 0.00 175.29 173.04 1mda s ASN 211 N 1.73 6.41 -0.18 5.90 0.02 -1.26 -4.78 114.94 122.78 1mda s ASN 211 Ca 0.16 0.18 -0.27 0.00 -1.02 0.00 0.00 52.86 51.91 1mda s ASN 211 Cb -0.16 -2.31 -0.01 0.00 0.02 0.00 0.00 41.25 38.80 1mda s ASN 211 CO 0.12 -0.51 0.92 0.00 0.02 0.00 0.00 177.10 177.65 1mda n SER 213 N 5.55 1.93 0.00 0.00 3.41 -0.91 -4.85 113.62 118.76 1mda n SER 213 Ca 0.07 0.85 0.06 0.00 -0.26 0.00 0.00 58.87 59.59 1mda n SER 213 Cb 0.48 -1.53 0.30 0.00 -0.26 0.00 0.00 64.21 63.20 1mda n SER 213 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1mda n SER 214 N -1.54 0.00 -3.68 4.04 7.64 -1.26 -4.22 113.62 114.60 1mda n SER 214 Ca 0.15 0.20 -0.28 0.00 1.01 0.00 0.00 58.87 59.95 1mda n SER 214 Cb 0.47 -0.33 -0.11 0.00 -1.01 0.00 0.00 64.21 63.23 1mda n SER 214 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mda n GLN 215 N -1.33 1.17 -2.03 1.43 1.13 -1.26 -4.90 117.38 111.58 1mda n GLN 215 Ca 0.05 -3.95 -0.32 0.00 -1.94 0.00 0.00 57.00 50.84 1mda n GLN 215 Cb 0.11 -2.03 0.00 0.00 0.11 0.00 0.00 30.24 28.43 1mda n GLN 215 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1mda s ALA 216 N -0.87 2.91 -0.12 -1.58 0.00 -1.26 -4.33 121.76 116.51 1mda s ALA 216 Ca 0.28 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.37 1mda s ALA 216 Cb -0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1mda s ALA 216 CO -0.18 -0.68 0.04 0.00 0.00 0.00 0.00 175.76 174.94 1mda s ALA 217 N -2.77 3.41 -0.08 0.00 0.00 -0.23 -4.94 121.76 117.15 1mda s ALA 217 Ca 0.59 -0.76 -0.07 0.00 0.00 0.00 0.00 51.96 51.73 1mda s ALA 217 Cb -0.13 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.32 1mda s ALA 217 CO 0.42 0.46 0.20 -1.14 0.00 0.00 0.00 175.76 175.70 1mda s GLN 218 N -0.48 0.23 -0.42 0.00 2.00 -1.25 -0.14 119.66 119.59 1mda s GLN 218 Ca 0.09 0.30 -0.07 0.00 -2.00 0.00 0.00 55.36 53.68 1mda s GLN 218 Cb -0.12 0.09 0.09 0.00 0.80 0.00 0.00 33.01 33.88 1mda s GLN 218 CO 0.02 -0.04 0.25 0.00 -0.50 0.00 0.00 175.29 175.02 1mda s ALA 219 N 0.21 3.26 0.18 1.58 0.00 0.42 -4.98 121.76 122.42 1mda s ALA 219 Ca -0.01 -2.29 -0.14 0.00 0.00 0.00 0.00 51.96 49.52 1mda s ALA 219 Cb -0.02 -2.60 0.15 0.00 0.00 0.00 0.00 23.12 20.64 1mda s ALA 219 CO -0.00 -1.72 1.74 -0.97 0.00 0.00 0.00 175.76 174.81 1mda h ASN 220 N 8.32 0.13 -0.88 0.00 -0.00 -1.90 -2.46 115.58 118.78 1mda h ASN 220 Ca -0.20 0.06 0.14 0.00 -0.00 0.00 0.00 56.30 56.30 1mda h ASN 220 Cb 1.07 0.06 -0.15 0.00 -0.00 0.00 0.00 38.32 39.30 1mda h ASN 220 CO 0.76 0.10 -0.37 1.88 -0.00 0.00 0.00 177.43 179.80 1mda h TYR 221 N 0.31 -1.02 -3.03 0.67 -1.99 -1.95 -3.22 116.97 106.75 1mda h TYR 221 Ca 0.22 0.10 -0.59 0.00 2.00 0.00 0.00 58.73 60.45 1mda h TYR 221 Cb 0.24 0.57 -0.40 0.00 2.00 0.00 0.00 36.73 39.14 1mda h TYR 221 CO -0.17 -0.40 -0.76 -1.25 -0.00 0.00 0.00 178.16 175.58 1mda s PRO 222 N -5.98 0.93 0.00 4.88 0.04 -0.95 -5.01 135.00 128.91 1mda s PRO 222 Ca -0.14 -1.48 0.00 0.00 0.04 0.00 0.00 61.00 59.42 1mda s PRO 222 Cb 0.19 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1mda s PRO 222 CO 0.71 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1mda n GLY 223 N 4.23 0.00 3.40 0.56 0.00 -1.04 -4.57 105.19 107.78 1mda n GLY 223 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1mda n GLY 223 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1mda s MET 224 N 0.14 3.01 -0.16 1.61 0.00 -1.21 -1.46 119.30 121.23 1mda s MET 224 Ca 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 55.69 54.70 1mda s MET 224 Cb 0.00 -3.68 -0.03 0.00 0.00 0.00 0.00 34.83 31.12 1mda s MET 224 CO 0.00 -0.60 -0.02 -1.17 0.00 0.00 0.00 175.02 173.23 1mda s LEU 225 N 1.58 3.31 -0.11 4.11 0.20 -0.79 -0.44 118.68 126.54 1mda s LEU 225 Ca 0.03 -0.11 0.01 0.00 0.69 0.00 0.00 54.13 54.75 1mda s LEU 225 Cb -0.18 -1.81 0.02 0.00 -0.43 0.00 0.00 46.19 43.79 1mda s LEU 225 CO 0.07 0.16 -0.14 0.68 -0.29 0.00 0.00 176.35 176.83 1mda s VAL 226 N 0.42 1.40 -0.27 1.68 -7.23 0.80 -0.90 120.40 116.31 1mda s VAL 226 Ca -0.03 -0.57 -0.01 0.00 -1.81 0.00 0.00 61.98 59.56 1mda s VAL 226 Cb -0.14 -1.31 0.09 0.00 0.56 0.00 0.00 36.38 35.58 1mda s VAL 226 CO 0.03 0.42 0.07 0.86 -0.31 0.00 0.00 175.10 176.17 1mda s TRP 227 N 1.16 1.60 0.75 2.82 -0.11 0.29 -1.07 118.94 124.36 1mda s TRP 227 Ca -0.04 -1.51 -0.11 0.00 1.22 0.00 0.00 56.10 55.67 1mda s TRP 227 Cb -0.14 -1.52 0.04 0.00 -1.50 0.00 0.00 33.47 30.35 1mda s TRP 227 CO -0.04 -0.80 1.08 0.00 -4.62 0.00 0.00 176.95 172.58 1mda s ALA 228 N 1.66 2.39 0.52 5.86 0.00 -1.26 -1.87 121.76 129.06 1mda s ALA 228 Ca 0.05 0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.28 1mda s ALA 228 Cb -0.17 -3.24 0.06 0.00 0.00 0.00 0.00 23.12 19.76 1mda s ALA 228 CO -0.19 -1.59 0.47 1.33 0.00 0.00 0.00 175.76 175.78 1mda n VAL 229 N -3.39 0.00 0.00 0.00 0.24 -1.22 -2.15 118.33 111.82 1mda n VAL 229 Ca 0.09 -1.98 0.00 0.00 -2.04 0.00 0.00 64.34 60.40 1mda n VAL 229 Cb 0.53 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 1mda n VAL 229 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mda n ALA 230 N -2.04 1.49 -1.00 2.33 0.00 -0.27 -3.78 120.51 117.24 1mda n ALA 230 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1mda n ALA 230 Cb 0.58 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1mda n ALA 230 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mda n SER 231 N -0.86 0.00 -4.17 0.00 7.64 -1.26 -4.24 113.62 110.72 1mda n SER 231 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1mda n SER 231 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1mda n SER 231 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1mda s SER 232 N 1.04 0.35 -0.20 6.43 0.01 -1.25 -4.71 113.70 115.38 1mda s SER 232 Ca 0.00 -1.26 -0.35 0.00 1.31 0.00 0.00 55.95 55.65 1mda s SER 232 Cb 0.00 0.30 -0.12 0.00 0.21 0.00 0.00 66.02 66.42 1mda s SER 232 CO 0.00 -0.75 1.97 -0.38 0.41 0.00 0.00 173.24 174.49 1mda n ILE 233 N -0.16 0.42 -3.65 1.44 2.08 -0.98 -3.40 119.36 115.11 1mda n ILE 233 Ca -0.03 -0.17 -0.38 0.00 0.56 0.00 0.00 62.75 62.73 1mda n ILE 233 Cb 0.64 -1.77 -0.12 0.00 -0.75 0.00 0.00 39.64 37.65 1mda n ILE 233 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1mda s LEU 234 N 5.21 3.92 -0.02 1.39 2.01 -0.78 -2.77 118.68 127.65 1mda s LEU 234 Ca 0.99 -0.24 0.01 0.00 0.01 0.00 0.00 54.13 54.90 1mda s LEU 234 Cb -0.77 -2.03 -0.03 0.00 0.01 0.00 0.00 46.19 43.37 1mda s LEU 234 CO 0.52 -0.10 -0.01 -1.10 1.01 0.00 0.00 176.35 176.67 1mda s GLN 235 N 1.68 2.78 -0.04 1.70 -0.21 -1.26 -0.55 119.66 123.75 1mda s GLN 235 Ca 0.06 -0.59 -0.03 0.00 0.02 0.00 0.00 55.36 54.82 1mda s GLN 235 Cb -0.16 -2.66 0.02 0.00 1.00 0.00 0.00 33.01 31.21 1mda s GLN 235 CO 0.08 0.64 0.10 0.20 -2.12 0.00 0.00 175.29 174.18 1mda s GLY 236 N -1.40 -0.05 -0.32 3.09 0.00 -0.08 -1.82 107.32 106.75 1mda s GLY 236 Ca 0.18 0.36 -0.07 0.00 0.00 0.00 0.00 44.72 45.19 1mda s GLY 236 CO 0.08 0.44 0.10 0.99 0.00 0.00 0.00 173.10 174.71 1mda s ASP 237 N 0.39 5.24 -0.06 1.64 1.01 -0.19 -1.88 116.67 122.83 1mda s ASP 237 Ca -0.03 -0.90 0.03 0.00 0.71 0.00 0.00 52.55 52.36 1mda s ASP 237 Cb -0.04 -1.88 -0.02 0.00 1.01 0.00 0.00 42.92 41.98 1mda s ASP 237 CO -0.02 -0.26 -0.15 0.27 0.21 0.00 0.00 175.17 175.23 1mda s ILE 238 N 1.46 2.99 0.44 0.77 -4.36 -0.53 0.76 121.20 122.73 1mda s ILE 238 Ca 0.01 -0.74 0.04 0.00 -0.26 0.00 0.00 60.65 59.69 1mda s ILE 238 Cb -0.18 -2.17 -0.02 0.00 1.25 0.00 0.00 42.46 41.34 1mda s ILE 238 CO 0.03 0.58 0.13 -2.16 0.24 0.00 0.00 174.94 173.76 1mda s PRO 239 N -0.58 2.02 0.65 0.37 0.04 -1.24 -4.27 135.00 132.00 1mda s PRO 239 Ca 0.08 -2.26 0.30 0.00 0.04 0.00 0.00 61.00 59.17 1mda s PRO 239 Cb -0.11 -0.66 1.65 0.00 0.04 0.00 0.00 34.50 35.42 1mda s PRO 239 CO 0.01 -0.53 1.95 0.00 0.04 0.00 0.00 177.00 178.47 1mda h ALA 240 N 1.67 1.46 -2.23 8.56 0.00 -1.96 -3.31 119.26 123.46 1mda h ALA 240 Ca -0.35 -0.00 -0.75 0.00 0.00 0.00 0.00 54.91 53.81 1mda h ALA 240 Cb 1.28 0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.84 1mda h ALA 240 CO 0.56 -0.37 -0.28 0.00 0.00 0.00 0.00 179.25 179.16 1mda s ALA 241 N -4.20 3.59 0.00 0.00 0.00 -1.26 -5.02 121.76 114.86 1mda s ALA 241 Ca -0.04 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 49.52 1mda s ALA 241 Cb 0.10 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1mda s ALA 241 CO 0.33 -1.91 0.00 0.41 0.00 0.00 0.00 175.76 174.59 1mda n GLY 242 N 5.19 0.00 3.87 0.00 0.00 -1.25 -4.91 105.19 108.10 1mda n GLY 242 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1mda n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mda s ALA 243 N -3.91 2.99 -0.08 4.61 0.00 -1.26 -3.58 121.76 120.53 1mda s ALA 243 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 1mda s ALA 243 Cb 0.00 -3.06 0.04 0.00 0.00 0.00 0.00 23.12 20.10 1mda s ALA 243 CO 0.00 -0.91 0.07 0.95 0.00 0.00 0.00 175.76 175.88 1mda s THR 244 N -3.25 -0.11 0.32 0.00 -4.23 0.23 -4.93 115.64 103.67 1mda s THR 244 Ca 0.56 0.26 -0.29 0.00 -1.18 0.00 0.00 61.69 61.05 1mda s THR 244 Cb -0.11 -0.28 -0.10 0.00 1.34 0.00 0.00 72.50 73.35 1mda s THR 244 CO 0.53 0.05 1.25 -0.04 -0.54 0.00 0.00 174.62 175.87 1mda s MET 245 N 2.17 4.40 0.28 3.99 -1.94 -1.26 -1.02 119.30 125.91 1mda s MET 245 Ca 0.04 2.09 0.08 0.00 -1.71 0.00 0.00 55.69 56.19 1mda s MET 245 Cb -0.13 -3.07 -0.04 0.00 2.01 0.00 0.00 34.83 33.60 1mda s MET 245 CO -0.05 -0.10 0.15 0.15 -0.01 0.00 0.00 175.02 175.15 1mda s LYS 246 N -1.75 2.66 0.24 2.03 1.02 -0.75 -4.94 119.74 118.24 1mda s LYS 246 Ca 0.48 -1.24 -0.30 0.00 0.02 0.00 0.00 55.97 54.93 1mda s LYS 246 Cb -0.37 -2.40 -0.09 0.00 -0.52 0.00 0.00 37.83 34.45 1mda s LYS 246 CO 0.49 0.32 1.08 0.00 -0.92 0.00 0.00 175.35 176.32 1mda s ALA 247 N -2.24 3.38 0.55 5.17 0.00 -1.26 -4.52 121.76 122.84 1mda s ALA 247 Ca 0.34 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 52.92 1mda s ALA 247 Cb -0.07 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 1mda s ALA 247 CO 0.23 -0.13 1.28 0.00 0.00 0.00 0.00 175.76 177.15 1mda s ALA 248 N -0.82 2.73 0.01 0.00 0.00 -1.26 -4.80 121.76 117.62 1mda s ALA 248 Ca 0.46 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1mda s ALA 248 Cb -0.30 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 1mda s ALA 248 CO 0.37 -1.22 -0.02 0.96 0.00 0.00 0.00 175.76 175.86 1mda s ILE 249 N -1.42 0.10 -0.26 0.00 -4.36 -1.11 -5.04 121.20 109.10 1mda s ILE 249 Ca 0.73 -0.38 -0.11 0.00 -0.26 0.00 0.00 60.65 60.63 1mda s ILE 249 Cb -0.36 -0.15 -0.05 0.00 1.25 0.00 0.00 42.46 43.15 1mda s ILE 249 CO 0.41 -0.18 0.18 -1.81 0.24 0.00 0.00 174.94 173.78 1mda s ASP 250 N -0.58 6.08 0.23 4.36 1.11 -1.26 -2.31 116.67 124.30 1mda s ASP 250 Ca -0.06 0.06 -0.06 0.00 0.18 0.00 0.00 52.55 52.68 1mda s ASP 250 Cb -0.04 -2.12 0.23 0.00 1.07 0.00 0.00 42.92 42.06 1mda s ASP 250 CO -0.00 0.00 1.78 1.23 1.18 0.00 0.00 175.17 179.36 1mda h GLY 251 N 7.95 1.15 -5.87 0.21 0.00 -1.93 -3.43 103.07 101.16 1mda h GLY 251 Ca -0.36 -0.66 -0.59 0.00 0.00 0.00 0.00 47.33 45.72 1mda h GLY 251 CO 0.61 0.62 -0.19 -1.31 0.00 0.00 0.00 176.54 176.26 1mda s ASN 252 N -6.45 6.55 -1.05 0.19 0.01 -1.26 -5.01 114.94 107.92 1mda s ASN 252 Ca -0.11 0.65 -0.23 0.00 -0.71 0.00 0.00 52.86 52.46 1mda s ASN 252 Cb 0.15 -2.25 -0.01 0.00 0.41 0.00 0.00 41.25 39.56 1mda s ASN 252 CO 0.83 -0.01 1.78 -0.70 -1.51 0.00 0.00 177.10 177.49 1mda s GLU 253 N 0.82 3.03 0.00 -0.60 -6.30 -1.26 -4.71 118.70 109.68 1mda s GLU 253 Ca 0.22 -0.96 0.00 0.00 -2.50 0.00 0.00 54.97 51.73 1mda s GLU 253 Cb -0.14 -5.25 0.00 0.00 0.00 0.00 0.00 34.13 28.73 1mda s GLU 253 CO 0.08 -3.03 0.00 0.45 0.02 0.00 0.00 175.26 172.78 1mda n SER 254 N 11.87 0.00 -0.27 -1.70 2.88 -1.26 -0.30 113.62 124.84 1mda n SER 254 Ca 0.41 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.91 1mda n SER 254 Cb 0.48 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.01 1mda n SER 254 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1mda h GLY 255 N 0.00 1.06 0.72 0.46 0.00 -2.00 -2.42 103.07 100.89 1mda h GLY 255 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 46.98 1mda h GLY 255 CO 0.00 0.35 0.01 3.21 0.00 0.00 0.00 176.54 180.11 1mda h ARG 256 N 0.97 0.07 -0.08 4.80 3.08 -1.00 -0.37 114.38 121.86 1mda h ARG 256 Ca 0.28 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.35 1mda h ARG 256 Cb -0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1mda h ARG 256 CO -0.08 0.05 0.06 0.87 -1.07 0.00 0.00 179.97 179.80 1mda h LYS 257 N 0.08 0.00 -0.14 0.04 1.57 -1.65 0.17 116.57 116.63 1mda h LYS 257 Ca 0.09 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.66 1mda h LYS 257 Cb 0.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.42 1mda h LYS 257 CO -0.15 0.00 -0.76 0.00 -0.57 0.00 0.00 179.45 177.98 1mda h ALA 258 N 1.95 0.39 -0.13 3.86 0.00 -0.89 -3.09 119.26 121.35 1mda h ALA 258 Ca 0.04 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1mda h ALA 258 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1mda h ALA 258 CO -0.00 0.70 0.03 -3.47 0.00 0.00 0.00 179.25 176.51 1mda n ASP 259 N -3.91 2.22 -0.19 0.00 2.03 0.50 -4.88 116.55 112.31 1mda n ASP 259 Ca -0.06 -2.22 -0.03 0.00 0.52 0.00 0.00 54.79 53.00 1mda n ASP 259 Cb 0.73 -0.54 -0.01 0.00 -0.72 0.00 0.00 41.12 40.58 1mda n ASP 259 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1mda n ASN 260 N 0.14 -4.21 -4.74 1.67 5.03 -0.90 -4.92 115.26 107.32 1mda n ASN 260 Ca 0.07 0.06 -0.41 0.00 0.87 0.00 0.00 54.58 55.17 1mda n ASN 260 Cb 0.51 -1.94 -0.02 0.00 -1.02 0.00 0.00 39.78 37.31 1mda n ASN 260 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1mda s PHE 261 N -1.79 3.03 0.16 3.10 0.08 -0.57 -1.76 117.98 120.22 1mda s PHE 261 Ca 0.00 0.99 -0.23 0.00 0.12 0.00 0.00 56.93 57.81 1mda s PHE 261 Cb 0.00 -3.82 0.07 0.00 -0.57 0.00 0.00 43.02 38.69 1mda s PHE 261 CO 0.00 -2.72 0.66 -0.98 -0.10 0.00 0.00 175.22 172.08 1mda s ARG 262 N -0.19 1.29 0.41 0.44 1.70 0.34 -4.50 118.95 118.44 1mda s ARG 262 Ca 0.60 -0.52 -0.26 0.00 -0.47 0.00 0.00 55.73 55.09 1mda s ARG 262 Cb -0.42 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.42 1mda s ARG 262 CO 0.42 -0.57 1.25 0.43 -1.08 0.00 0.00 175.30 175.75 1mda n SER 263 N -0.38 2.47 -2.99 -2.89 7.64 -1.26 -0.74 113.62 115.47 1mda n SER 263 Ca -0.14 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1mda n SER 263 Cb 0.64 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1mda n SER 263 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mda n ALA 264 N -0.17 0.00 -2.90 -0.43 0.00 0.13 -4.78 120.51 112.35 1mda n ALA 264 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 1mda n ALA 264 Cb 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.68 1mda n ALA 264 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1mda s GLY 265 N 0.00 0.76 0.00 0.00 0.00 0.15 -4.32 107.32 103.91 1mda s GLY 265 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1mda s GLY 265 CO 0.00 -0.28 0.00 0.69 0.00 0.00 0.00 173.10 173.51 1mda n PHE 266 N 3.14 0.00 -1.63 1.90 3.01 -1.25 -4.32 117.46 118.32 1mda n PHE 266 Ca -0.18 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.03 1mda n PHE 266 Cb 0.54 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.91 1mda n PHE 266 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1mda n GLN 267 N 0.00 0.81 0.10 -1.08 7.27 -1.21 -4.66 117.38 118.62 1mda n GLN 267 Ca 0.00 -1.95 -0.04 0.00 0.07 0.00 0.00 57.00 55.07 1mda n GLN 267 Cb 0.00 -3.63 0.07 0.00 2.41 0.00 0.00 30.24 29.09 1mda n GLN 267 CO 0.00 0.00 0.00 0.52 0.07 0.00 0.00 177.06 177.65 1mda h MET 268 N 10.39 0.06 -6.15 3.69 2.86 -1.80 0.82 114.93 124.80 1mda h MET 268 Ca 0.15 -0.05 -0.57 0.00 -2.06 0.00 0.00 59.70 57.16 1mda h MET 268 Cb 0.91 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 32.48 1mda h MET 268 CO 1.28 0.78 -0.65 0.08 1.06 0.00 0.00 176.91 179.46 1mda s VAL 269 N -3.34 3.03 0.06 -2.22 1.01 -1.26 -1.26 120.40 116.41 1mda s VAL 269 Ca -0.01 -2.01 -0.21 0.00 0.00 0.00 0.00 61.98 59.74 1mda s VAL 269 Cb 0.12 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.81 1mda s VAL 269 CO 0.79 -0.32 0.50 0.00 0.00 0.00 0.00 175.10 176.07 1mda s ALA 270 N -2.42 -1.27 -0.08 5.51 0.00 -0.30 -4.76 121.76 118.44 1mda s ALA 270 Ca 0.32 0.51 -0.03 0.00 0.00 0.00 0.00 51.96 52.76 1mda s ALA 270 Cb -0.04 0.42 0.04 0.00 0.00 0.00 0.00 23.12 23.54 1mda s ALA 270 CO 0.19 -0.52 0.17 0.21 0.00 0.00 0.00 175.76 175.81 1mda s LYS 271 N -2.58 0.09 -0.25 0.00 2.36 -1.26 -0.28 119.74 117.82 1mda s LYS 271 Ca -0.05 0.47 -0.15 0.00 -2.55 0.00 0.00 55.97 53.70 1mda s LYS 271 Cb -0.01 -0.19 -0.04 0.00 -1.05 0.00 0.00 37.83 36.55 1mda s LYS 271 CO -0.03 -0.22 0.39 -1.17 1.55 0.00 0.00 175.35 175.87 1mda s LEU 272 N 1.60 4.08 0.14 5.43 2.96 0.06 -4.98 118.68 127.98 1mda s LEU 272 Ca -0.05 0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 54.18 1mda s LEU 272 Cb -0.12 -2.46 -0.05 0.00 0.50 0.00 0.00 46.19 44.06 1mda s LEU 272 CO -0.06 -0.15 1.35 0.50 -1.32 0.00 0.00 176.35 176.67 1mda h LYS 273 N 7.87 0.53 -0.84 1.98 3.64 -1.92 -3.19 116.57 124.64 1mda h LYS 273 Ca -0.33 -0.47 0.15 0.00 -1.27 0.00 0.00 60.65 58.72 1mda h LYS 273 Cb 1.16 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 33.03 1mda h LYS 273 CO 0.67 1.10 0.55 -0.91 -2.27 0.00 0.00 179.45 178.60 1mda h ASN 274 N 0.35 0.56 -3.05 4.20 4.21 -1.94 -3.40 115.58 116.51 1mda h ASN 274 Ca -0.05 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1mda h ASN 274 Cb 1.42 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.54 1mda h ASN 274 CO 0.15 0.28 0.00 1.07 -1.29 0.00 0.00 177.43 177.64 1mda n THR 275 N -4.53 0.00 -2.57 2.81 5.66 -1.23 -5.06 114.28 109.36 1mda n THR 275 Ca 0.16 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.99 1mda n THR 275 Cb 0.49 -0.32 0.02 0.00 -1.55 0.00 0.00 70.33 68.97 1mda n THR 275 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1mda n ASP 276 N -1.43 2.98 -4.80 1.09 -0.08 -1.21 -4.63 116.55 108.47 1mda n ASP 276 Ca 0.00 -3.16 -0.36 0.00 -1.51 0.00 0.00 54.79 49.76 1mda n ASP 276 Cb 0.00 -0.49 -0.07 0.00 2.34 0.00 0.00 41.12 42.90 1mda n ASP 276 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1mda s GLY 277 N -3.34 2.17 -0.21 0.27 0.00 -1.21 0.23 107.32 105.24 1mda s GLY 277 Ca 0.37 -0.56 -0.04 0.00 0.00 0.00 0.00 44.72 44.49 1mda s GLY 277 CO -0.06 0.01 -0.05 -1.50 0.00 0.00 0.00 173.10 171.50 1mda s ILE 278 N -0.31 3.39 0.01 0.90 2.07 -0.57 -0.76 121.20 125.94 1mda s ILE 278 Ca 0.14 -0.49 -0.07 0.00 -1.41 0.00 0.00 60.65 58.82 1mda s ILE 278 Cb -0.12 -2.53 -0.05 0.00 0.13 0.00 0.00 42.46 39.89 1mda s ILE 278 CO 0.03 0.43 0.27 -0.04 -1.91 0.00 0.00 174.94 173.73 1mda s MET 279 N 1.33 3.59 -0.13 3.50 -1.94 0.61 -1.99 119.30 124.27 1mda s MET 279 Ca 0.04 -0.07 -0.09 0.00 -1.71 0.00 0.00 55.69 53.86 1mda s MET 279 Cb -0.14 -3.07 0.04 0.00 2.01 0.00 0.00 34.83 33.66 1mda s MET 279 CO -0.02 0.64 0.33 -1.50 -0.01 0.00 0.00 175.02 174.46 1mda s ILE 280 N -1.30 -0.02 -0.22 2.53 1.10 -1.05 -1.15 121.20 121.09 1mda s ILE 280 Ca 0.28 0.06 -0.26 0.00 -0.51 0.00 0.00 60.65 60.21 1mda s ILE 280 Cb -0.13 -0.47 -0.00 0.00 0.15 0.00 0.00 42.46 42.00 1mda s ILE 280 CO 0.16 0.02 0.90 -0.76 -2.11 0.00 0.00 174.94 173.16 1mda s LEU 281 N 0.71 4.11 0.11 8.50 1.43 -0.39 -2.64 118.68 130.52 1mda s LEU 281 Ca -0.04 1.18 -0.02 0.00 -1.03 0.00 0.00 54.13 54.22 1mda s LEU 281 Cb -0.06 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 1mda s LEU 281 CO -0.05 -0.55 0.05 0.42 0.23 0.00 0.00 176.35 176.46 1mda s THR 282 N 2.83 0.13 -0.02 5.49 -4.23 -0.85 0.23 115.64 119.21 1mda s THR 282 Ca 0.39 -1.83 -0.29 0.00 -1.18 0.00 0.00 61.69 58.78 1mda s THR 282 Cb -0.15 -1.89 0.10 0.00 1.34 0.00 0.00 72.50 71.90 1mda s THR 282 CO 0.08 -0.59 1.29 0.54 -0.54 0.00 0.00 174.62 175.40 1mda s VAL 283 N -4.01 0.00 -0.66 2.29 0.11 0.08 -2.43 120.40 115.78 1mda s VAL 283 Ca 0.19 -0.16 -0.26 0.00 -2.93 0.00 0.00 61.98 58.82 1mda s VAL 283 Cb 0.07 -2.87 0.04 0.00 -1.53 0.00 0.00 36.38 32.09 1mda s VAL 283 CO -0.01 0.00 1.15 -1.61 -3.33 0.00 0.00 175.10 171.30 1mda s GLU 284 N -2.05 3.26 0.00 1.54 2.02 -1.26 0.13 118.70 122.34 1mda s GLU 284 Ca 0.28 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.02 1mda s GLU 284 Cb 0.00 -4.14 0.00 0.00 0.10 0.00 0.00 34.13 30.09 1mda s GLU 284 CO -0.01 -1.89 0.00 0.72 0.02 0.00 0.00 175.26 174.10 1mda n HIS 285 N 8.59 0.00 0.00 1.61 8.25 -0.72 -4.92 115.22 128.02 1mda n HIS 285 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1mda n HIS 285 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1mda n HIS 285 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1mda n SER 286 N 0.00 0.00 -0.13 0.41 2.88 -1.26 -4.91 113.62 110.61 1mda n SER 286 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1mda n SER 286 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1mda n SER 286 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1mda n ARG 287 N 0.00 0.84 -1.42 -1.46 5.12 -1.26 -4.81 116.66 113.67 1mda n ARG 287 Ca 0.00 -1.12 -0.29 0.00 -1.93 0.00 0.00 57.85 54.50 1mda n ARG 287 Cb 0.00 -0.75 0.02 0.00 -1.16 0.00 0.00 32.46 30.57 1mda n ARG 287 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1mda n SER 288 N -0.31 6.99 -0.20 0.55 7.64 -1.26 -4.81 113.62 122.22 1mda n SER 288 Ca 0.02 -3.45 0.00 0.00 1.01 0.00 0.00 58.87 56.46 1mda n SER 288 Cb 0.51 -1.10 0.09 0.00 -1.01 0.00 0.00 64.21 62.70 1mda n SER 288 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mda n LEU 290 N -5.32 0.00 -4.88 0.00 4.32 -1.26 -2.68 117.00 107.18 1mda n LEU 290 Ca 0.08 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.78 1mda n LEU 290 Cb 0.34 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.22 1mda n LEU 290 CO 0.09 0.00 0.76 0.00 -1.22 0.00 0.00 177.39 177.03 1mda s ALA 291 N -2.00 2.67 0.53 -1.18 0.00 -0.99 -4.41 121.76 116.38 1mda s ALA 291 Ca 0.15 -0.48 -0.17 0.00 0.00 0.00 0.00 51.96 51.46 1mda s ALA 291 Cb 0.07 -3.00 -0.07 0.00 0.00 0.00 0.00 23.12 20.11 1mda s ALA 291 CO 0.11 -1.49 1.01 0.00 0.00 0.00 0.00 175.76 175.40 1mda s ALA 292 N -3.44 2.96 0.01 0.00 0.00 -1.26 0.31 121.76 120.34 1mda s ALA 292 Ca 0.60 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.89 1mda s ALA 292 Cb -0.11 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1mda s ALA 292 CO 0.51 -0.38 -0.11 0.00 0.00 0.00 0.00 175.76 175.79 1mda s ALA 293 N -2.49 0.87 -2.59 0.00 0.00 -0.66 -4.86 121.76 112.03 1mda s ALA 293 Ca 0.61 -0.53 0.27 0.00 0.00 0.00 0.00 51.96 52.31 1mda s ALA 293 Cb -0.12 -0.18 0.85 0.00 0.00 0.00 0.00 23.12 23.67 1mda s ALA 293 CO 0.30 0.19 1.63 0.39 0.00 0.00 0.00 175.76 178.27 1mda n GLU 294 N 2.55 1.79 -4.24 0.00 1.02 -1.26 -2.54 120.64 117.96 1mda n GLU 294 Ca -0.15 -1.16 -0.13 0.00 -0.02 0.00 0.00 57.16 55.69 1mda n GLU 294 Cb 0.56 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.40 1mda n GLU 294 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1mda s ASN 295 N -2.01 0.75 -0.13 1.62 0.01 -1.02 -2.30 114.94 111.85 1mda s ASN 295 Ca 0.35 -1.31 -0.05 0.00 -0.71 0.00 0.00 52.86 51.14 1mda s ASN 295 Cb 0.21 0.24 0.06 0.00 0.41 0.00 0.00 41.25 42.17 1mda s ASN 295 CO 0.33 -0.73 0.28 0.28 -1.51 0.00 0.00 177.10 175.76 1mda s THR 296 N -3.90 -0.29 -0.13 1.60 -1.32 -0.65 -2.01 115.64 108.94 1mda s THR 296 Ca 0.33 0.22 -0.09 0.00 -1.21 0.00 0.00 61.69 60.93 1mda s THR 296 Cb 0.07 -0.46 -0.05 0.00 -1.51 0.00 0.00 72.50 70.56 1mda s THR 296 CO 0.09 0.09 0.18 -0.94 -2.21 0.00 0.00 174.62 171.83 1mda s SER 297 N 2.00 6.39 -0.17 8.08 1.04 -1.08 -3.30 113.70 126.66 1mda s SER 297 Ca -0.03 0.46 -0.08 0.00 0.48 0.00 0.00 55.95 56.78 1mda s SER 297 Cb -0.11 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.86 1mda s SER 297 CO -0.09 0.30 0.08 -0.44 0.98 0.00 0.00 173.24 174.07 1mda s SER 298 N -0.48 5.83 0.10 7.02 0.01 -1.20 -2.51 113.70 122.46 1mda s SER 298 Ca 0.14 0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.60 1mda s SER 298 Cb -0.12 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 1mda s SER 298 CO 0.03 0.22 -0.09 0.68 0.41 0.00 0.00 173.24 174.49 1mda s VAL 299 N 0.10 0.89 -0.24 3.43 -7.23 -0.84 -1.54 120.40 114.96 1mda s VAL 299 Ca 0.06 -1.75 -0.19 0.00 -1.81 0.00 0.00 61.98 58.29 1mda s VAL 299 Cb -0.12 -1.48 -0.02 0.00 0.56 0.00 0.00 36.38 35.32 1mda s VAL 299 CO 0.00 -0.66 0.58 -0.89 -0.31 0.00 0.00 175.10 173.82 1mda s THR 300 N -2.84 5.03 0.43 5.32 2.01 -0.42 -1.51 115.64 123.66 1mda s THR 300 Ca 0.08 1.04 0.10 0.00 0.31 0.00 0.00 61.69 63.22 1mda s THR 300 Cb -0.00 -3.89 0.23 0.00 0.01 0.00 0.00 72.50 68.85 1mda s THR 300 CO -0.01 0.07 2.03 0.00 -0.69 0.00 0.00 174.62 176.02 1mda h ALA 301 N 7.83 1.71 0.22 7.40 0.00 0.25 -3.08 119.26 133.59 1mda h ALA 301 Ca -0.29 -0.08 -0.32 0.00 0.00 0.00 0.00 54.91 54.23 1mda h ALA 301 Cb 1.13 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.85 1mda h ALA 301 CO 0.75 0.24 -1.42 1.03 0.00 0.00 0.00 179.25 179.84 1mda h SER 302 N 0.34 0.72 -3.27 0.00 0.87 -1.94 -3.43 113.55 106.83 1mda h SER 302 Ca 0.09 -0.77 -0.55 0.00 -1.23 0.00 0.00 61.79 59.32 1mda h SER 302 Cb 0.08 -0.23 -0.40 0.00 -0.44 0.00 0.00 62.40 61.41 1mda h SER 302 CO -0.01 1.61 -0.76 -0.69 -0.53 0.00 0.00 176.83 176.45 1mda s VAL 303 N -2.62 0.76 -0.43 2.23 1.01 -1.17 -5.02 120.40 115.16 1mda s VAL 303 Ca -0.08 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1mda s VAL 303 Cb 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1mda s VAL 303 CO 0.93 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1mda n GLY 304 N 4.94 0.00 3.74 4.51 0.00 -1.19 -3.70 105.19 113.49 1mda n GLY 304 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1mda n GLY 304 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mda s GLN 305 N -0.40 4.76 -0.63 1.61 -2.07 -1.26 -4.69 119.66 116.98 1mda s GLN 305 Ca 0.00 1.49 -0.28 0.00 -1.82 0.00 0.00 55.36 54.76 1mda s GLN 305 Cb 0.00 -3.32 0.03 0.00 -1.09 0.00 0.00 33.01 28.63 1mda s GLN 305 CO 0.00 0.34 1.22 -0.08 -1.32 0.00 0.00 175.29 175.45 1mda s THR 306 N -0.56 3.93 -0.40 3.63 -1.32 -1.26 -1.30 115.64 118.35 1mda s THR 306 Ca 0.44 0.74 0.23 0.00 -1.21 0.00 0.00 61.69 61.90 1mda s THR 306 Cb -0.25 -4.79 0.08 0.00 -1.51 0.00 0.00 72.50 66.03 1mda s THR 306 CO 0.31 -1.50 1.24 0.28 -2.21 0.00 0.00 174.62 172.74 1mda h SER 307 N 9.69 0.00 -4.29 8.08 0.02 -1.62 -3.48 113.55 121.94 1mda h SER 307 Ca -0.26 -0.06 -0.36 0.00 -0.84 0.00 0.00 61.79 60.26 1mda h SER 307 Cb 1.05 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.41 1mda h SER 307 CO 1.21 0.03 -0.75 -0.83 -1.14 0.00 0.00 176.83 175.36 1mda s GLY 308 N -4.10 0.92 0.00 -3.77 0.00 -1.04 -4.98 107.32 94.34 1mda s GLY 308 Ca 0.03 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1mda s GLY 308 CO 0.74 -1.24 0.00 -1.05 0.00 0.00 0.00 173.10 171.55 1mda n PRO 309 N 0.69 0.00 -3.10 2.90 -0.02 -1.26 -3.28 135.00 130.92 1mda n PRO 309 Ca -0.17 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.16 1mda n PRO 309 Cb 0.57 -0.35 0.01 0.00 -0.02 0.00 0.00 33.50 33.72 1mda n PRO 309 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1mda n ILE 310 N -0.71 -8.78 -3.14 4.25 -5.35 -1.21 -4.44 119.36 99.98 1mda n ILE 310 Ca 0.00 0.46 -0.42 0.00 -0.27 0.00 0.00 62.75 62.52 1mda n ILE 310 Cb 0.00 -6.08 -0.07 0.00 -1.74 0.00 0.00 39.64 31.75 1mda n ILE 310 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1mda s SER 311 N -2.43 6.35 0.43 7.28 0.15 -1.26 -1.63 113.70 122.59 1mda s SER 311 Ca 0.22 -0.14 0.23 0.00 0.70 0.00 0.00 55.95 56.97 1mda s SER 311 Cb -0.05 -2.31 0.91 0.00 -1.71 0.00 0.00 66.02 62.87 1mda s SER 311 CO 0.80 -0.65 1.83 0.78 1.20 0.00 0.00 173.24 177.19 1mda h ASN 312 N 8.66 0.00 0.00 5.45 2.35 -1.83 -3.47 115.58 126.73 1mda h ASN 312 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1mda h ASN 312 Cb 1.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1mda h ASN 312 CO 0.85 0.24 0.00 0.61 -1.65 0.00 0.00 177.43 177.48 1mda n GLY 313 N 0.10 1.00 3.17 2.83 0.00 -1.26 -4.97 105.19 106.07 1mda n GLY 313 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1mda n GLY 313 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mda s HIS 314 N -3.13 0.36 -0.94 1.61 3.76 -1.26 -5.08 115.29 110.61 1mda s HIS 314 Ca 0.00 -0.82 -0.24 0.00 -0.15 0.00 0.00 55.06 53.85 1mda s HIS 314 Cb 0.00 -0.21 0.02 0.00 1.11 0.00 0.00 32.58 33.50 1mda s HIS 314 CO 0.00 -0.49 1.55 -0.51 -0.85 0.00 0.00 174.74 174.43 1mda s ASP 315 N -2.90 6.12 -0.10 1.40 1.11 -1.26 -4.40 116.67 116.63 1mda s ASP 315 Ca 0.08 -1.06 -0.12 0.00 0.18 0.00 0.00 52.55 51.63 1mda s ASP 315 Cb 0.06 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.44 1mda s ASP 315 CO -0.09 -1.85 0.26 -0.44 1.18 0.00 0.00 175.17 174.23 1mda s SER 316 N 5.57 6.51 -0.18 0.27 0.01 -1.05 -4.65 113.70 120.16 1mda s SER 316 Ca 0.50 0.61 0.13 0.00 1.31 0.00 0.00 55.95 58.50 1mda s SER 316 Cb -0.03 -2.16 -0.20 0.00 0.21 0.00 0.00 66.02 63.84 1mda s SER 316 CO -0.03 0.27 0.01 0.47 0.41 0.00 0.00 173.24 174.37 1mda n ASP 317 N 2.54 0.96 -3.92 2.44 9.92 -0.59 -1.66 116.55 126.25 1mda n ASP 317 Ca -0.15 -0.02 -0.10 0.00 -0.53 0.00 0.00 54.79 53.98 1mda n ASP 317 Cb 0.53 0.68 -0.10 0.00 -0.64 0.00 0.00 41.12 41.59 1mda n ASP 317 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mda s ALA 318 N -2.43 -0.14 0.08 2.24 0.00 -1.00 -3.33 121.76 117.18 1mda s ALA 318 Ca -0.13 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 1mda s ALA 318 Cb 0.06 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1mda s ALA 318 CO 0.68 -0.22 0.15 0.96 0.00 0.00 0.00 175.76 177.34 1mda s ILE 319 N -1.70 0.15 0.33 0.00 -4.36 0.28 -0.48 121.20 115.43 1mda s ILE 319 Ca -0.13 -1.25 -0.17 0.00 -0.26 0.00 0.00 60.65 58.84 1mda s ILE 319 Cb -0.07 -1.32 0.06 0.00 1.25 0.00 0.00 42.46 42.39 1mda s ILE 319 CO -0.01 -0.69 0.86 0.27 0.24 0.00 0.00 174.94 175.62 1mda s ILE 320 N -3.73 0.00 0.03 8.37 -4.36 -0.93 -4.69 121.20 115.89 1mda s ILE 320 Ca 0.04 -0.88 -0.05 0.00 -0.26 0.00 0.00 60.65 59.50 1mda s ILE 320 Cb 0.05 -2.90 -0.01 0.00 1.25 0.00 0.00 42.46 40.85 1mda s ILE 320 CO -0.10 0.00 0.08 0.00 0.24 0.00 0.00 174.94 175.16 1mda s ALA 321 N -2.24 -0.07 -0.00 2.27 0.00 -1.26 0.71 121.76 121.17 1mda s ALA 321 Ca 0.17 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 1mda s ALA 321 Cb -0.04 0.21 -0.07 0.00 0.00 0.00 0.00 23.12 23.21 1mda s ALA 321 CO 0.10 -0.28 1.79 0.00 0.00 0.00 0.00 175.76 177.37 1mda s ALA 322 N -2.27 3.61 -0.10 0.00 0.00 0.23 -4.86 121.76 118.37 1mda s ALA 322 Ca -0.08 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1mda s ALA 322 Cb -0.03 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1mda s ALA 322 CO -0.03 -1.44 0.84 0.94 0.00 0.00 0.00 175.76 176.07 1mda n GLN 323 N 7.14 0.88 -3.87 0.00 -0.06 -1.26 -4.36 117.38 115.85 1mda n GLN 323 Ca 0.18 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.94 1mda n GLN 323 Cb 0.42 -1.10 -0.04 0.00 -4.06 0.00 0.00 30.24 25.46 1mda n GLN 323 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 1mda s ASP 324 N 0.89 4.70 0.24 1.69 -4.77 -1.26 -4.73 116.67 113.42 1mda s ASP 324 Ca 0.00 -1.01 -0.06 0.00 -3.30 0.00 0.00 52.55 48.17 1mda s ASP 324 Cb 0.00 -0.26 0.40 0.00 -1.09 0.00 0.00 42.92 41.97 1mda s ASP 324 CO 0.00 -0.74 1.31 0.61 0.70 0.00 0.00 175.17 177.05 1mda n GLY 325 N -1.49 -1.40 2.74 2.12 0.00 -1.26 -2.66 105.19 103.25 1mda n GLY 325 Ca 0.00 0.89 -0.30 0.00 0.00 0.00 0.00 46.02 46.62 1mda n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mda s ALA 326 N -6.04 1.96 0.32 4.61 0.00 -1.26 -5.05 121.76 116.30 1mda s ALA 326 Ca -0.13 -2.22 -0.27 0.00 0.00 0.00 0.00 51.96 49.34 1mda s ALA 326 Cb 0.23 -1.79 -0.09 0.00 0.00 0.00 0.00 23.12 21.46 1mda s ALA 326 CO 0.65 -1.88 1.06 -1.12 0.00 0.00 0.00 175.76 174.48 1mda s SER 327 N 0.91 7.13 -0.04 0.00 0.01 -1.09 -5.00 113.70 115.61 1mda s SER 327 Ca 0.14 2.15 -0.11 0.00 1.31 0.00 0.00 55.95 59.44 1mda s SER 327 Cb -0.21 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.36 1mda s SER 327 CO -0.10 -0.23 0.29 -1.81 0.41 0.00 0.00 173.24 171.79 1mda s ASP 328 N -1.17 6.61 -0.24 2.44 1.01 -1.26 -1.81 116.67 122.25 1mda s ASP 328 Ca 0.49 0.72 -0.11 0.00 0.71 0.00 0.00 52.55 54.36 1mda s ASP 328 Cb -0.28 -2.16 -0.05 0.00 1.01 0.00 0.00 42.92 41.45 1mda s ASP 328 CO 0.35 0.35 0.17 0.21 0.21 0.00 0.00 175.17 176.45 1mda s ASN 329 N -1.15 6.12 -0.26 0.27 3.84 0.12 0.75 114.94 124.63 1mda s ASN 329 Ca 0.21 0.12 -0.13 0.00 0.21 0.00 0.00 52.86 53.27 1mda s ASN 329 Cb -0.14 -2.11 -0.04 0.00 -0.55 0.00 0.00 41.25 38.40 1mda s ASN 329 CO 0.10 0.06 0.27 -0.31 -2.79 0.00 0.00 177.10 174.43 1mda s TYR 330 N 1.09 3.26 -0.34 0.43 2.02 0.22 -0.82 117.35 123.20 1mda s TYR 330 Ca 0.08 0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 57.04 1mda s TYR 330 Cb -0.14 -2.44 0.07 0.00 -0.40 0.00 0.00 41.96 39.05 1mda s TYR 330 CO 0.05 -0.14 0.08 0.00 -1.57 0.00 0.00 175.55 173.97 1mda s ALA 331 N 1.73 2.95 -0.29 3.71 0.00 0.61 -2.20 121.76 128.26 1mda s ALA 331 Ca 0.11 -2.09 -0.17 0.00 0.00 0.00 0.00 51.96 49.81 1mda s ALA 331 Cb -0.15 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.83 1mda s ALA 331 CO 0.09 -1.49 0.47 1.21 0.00 0.00 0.00 175.76 176.04 1mda s ASN 332 N 1.43 6.33 -0.35 0.00 2.47 0.37 0.70 114.94 125.90 1mda s ASN 332 Ca 0.01 0.25 -0.15 0.00 0.42 0.00 0.00 52.86 53.39 1mda s ASN 332 Cb -0.21 -2.25 -0.01 0.00 -1.45 0.00 0.00 41.25 37.33 1mda s ASN 332 CO -0.03 -0.32 0.33 -0.55 -3.72 0.00 0.00 177.10 172.82 1mda s SER 333 N 1.65 6.15 0.14 -4.21 0.15 0.61 -1.54 113.70 116.64 1mda s SER 333 Ca 0.18 -0.34 -0.09 0.00 0.70 0.00 0.00 55.95 56.40 1mda s SER 333 Cb -0.16 -2.18 -0.06 0.00 -1.71 0.00 0.00 66.02 61.91 1mda s SER 333 CO 0.11 -0.33 1.38 0.00 1.20 0.00 0.00 173.24 175.59 1mda h ALA 334 N 8.50 0.45 -0.57 5.45 0.00 -1.83 -2.10 119.26 129.15 1mda h ALA 334 Ca -0.30 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 53.92 1mda h ALA 334 Cb 1.14 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1mda h ALA 334 CO 0.69 0.70 -0.06 0.78 0.00 0.00 0.00 179.25 181.36 1mda h GLY 335 N 0.82 1.13 -0.43 0.00 0.00 -1.89 -3.05 103.07 99.65 1mda h GLY 335 Ca -0.03 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.42 1mda h GLY 335 CO 0.14 0.81 -0.27 -1.30 0.00 0.00 0.00 176.54 175.92 1mda n THR 336 N -4.17 0.00 -3.32 4.70 -2.24 -1.25 -4.97 114.28 103.04 1mda n THR 336 Ca 0.02 -0.22 -0.24 0.00 -2.27 0.00 0.00 64.05 61.34 1mda n THR 336 Cb 0.38 0.77 0.04 0.00 -2.10 0.00 0.00 70.33 69.42 1mda n THR 336 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mda n GLU 337 N -0.17 -5.36 -4.08 -0.78 4.71 -0.83 -4.64 120.64 109.49 1mda n GLU 337 Ca 0.12 0.78 -0.14 0.00 -0.01 0.00 0.00 57.16 57.91 1mda n GLU 337 Cb 0.41 -5.66 -0.13 0.00 -1.01 0.00 0.00 31.44 25.05 1mda n GLU 337 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1mda s VAL 338 N -3.18 0.42 -0.36 2.62 0.11 -0.97 -1.23 120.40 117.82 1mda s VAL 338 Ca 0.43 -0.67 -0.12 0.00 -2.93 0.00 0.00 61.98 58.69 1mda s VAL 338 Cb -0.20 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 34.21 1mda s VAL 338 CO 0.53 -0.18 0.22 -0.22 -3.33 0.00 0.00 175.10 172.12 1mda s LEU 339 N -0.91 4.60 -0.29 2.54 2.96 -1.04 -0.28 118.68 126.25 1mda s LEU 339 Ca -0.05 -0.72 -0.18 0.00 -0.22 0.00 0.00 54.13 52.96 1mda s LEU 339 Cb -0.06 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 1mda s LEU 339 CO 0.00 -0.32 0.49 -1.81 -1.32 0.00 0.00 176.35 173.40 1mda s ASP 340 N 1.63 6.36 -0.15 3.68 1.01 0.22 -1.43 116.67 128.00 1mda s ASP 340 Ca 0.04 0.29 -0.11 0.00 0.71 0.00 0.00 52.55 53.48 1mda s ASP 340 Cb -0.18 -2.27 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 1mda s ASP 340 CO 0.08 -0.34 0.22 -0.51 0.21 0.00 0.00 175.17 174.83 1mda s ILE 341 N 2.31 5.35 0.15 0.77 1.10 -1.15 -0.29 121.20 129.45 1mda s ILE 341 Ca 0.19 0.40 0.03 0.00 -0.51 0.00 0.00 60.65 60.77 1mda s ILE 341 Cb -0.16 -3.55 -0.05 0.00 0.15 0.00 0.00 42.46 38.86 1mda s ILE 341 CO 0.11 0.47 -0.05 -0.31 -2.11 0.00 0.00 174.94 173.04 1mda s TYR 342 N -0.01 1.20 -0.05 3.50 1.51 -0.00 -0.46 117.35 123.03 1mda s TYR 342 Ca 0.14 -0.89 -0.30 0.00 -1.01 0.00 0.00 57.07 55.02 1mda s TYR 342 Cb -0.13 -0.66 -0.02 0.00 -0.11 0.00 0.00 41.96 41.05 1mda s TYR 342 CO 0.03 -0.07 1.01 0.34 -1.11 0.00 0.00 175.55 175.75 1mda s ASP 343 N -3.16 7.29 0.00 2.29 2.15 0.25 0.16 116.67 125.65 1mda s ASP 343 Ca 0.19 1.61 0.00 0.00 0.43 0.00 0.00 52.55 54.78 1mda s ASP 343 Cb 0.05 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1mda s ASP 343 CO 0.01 -0.37 0.19 0.00 -0.17 0.00 0.00 175.17 174.83 1mda n ALA 344 N 4.49 1.50 -2.57 3.66 0.00 -0.75 -0.57 120.51 126.28 1mda n ALA 344 Ca 0.08 -0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 1mda n ALA 344 Cb 0.50 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.97 1mda n ALA 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda n ALA 345 N -0.68 3.85 0.00 0.00 0.00 -1.26 -5.01 120.51 117.41 1mda n ALA 345 Ca 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 50.01 1mda n ALA 345 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1mda n ALA 345 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mda n SER 346 N -0.36 0.00 -4.65 0.00 7.64 0.27 -5.07 113.62 111.45 1mda n SER 346 Ca 0.20 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.69 1mda n SER 346 Cb 0.79 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 64.02 1mda n SER 346 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1mda n ASP 347 N 3.79 1.58 -4.66 6.43 2.03 -1.25 -4.56 116.55 119.90 1mda n ASP 347 Ca 0.00 0.97 -0.40 0.00 0.52 0.00 0.00 54.79 55.88 1mda n ASP 347 Cb 0.00 -1.42 -0.06 0.00 -0.72 0.00 0.00 41.12 38.92 1mda n ASP 347 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1mda s GLN 348 N -2.38 4.22 0.00 -0.67 0.74 -1.26 0.84 119.66 121.15 1mda s GLN 348 Ca 0.67 0.63 0.00 0.00 0.05 0.00 0.00 55.36 56.71 1mda s GLN 348 Cb -0.48 -3.57 0.00 0.00 1.10 0.00 0.00 33.01 30.06 1mda s GLN 348 CO 0.53 -0.22 0.00 -0.25 -0.55 0.00 0.00 175.29 174.80 1mda n ASP 349 N 4.97 0.00 -3.39 6.67 8.00 0.39 -4.95 116.55 128.25 1mda n ASP 349 Ca -0.01 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.37 1mda n ASP 349 Cb 0.50 -0.16 0.06 0.00 -0.02 0.00 0.00 41.12 41.49 1mda n ASP 349 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mda n GLN 350 N -1.82 0.37 -3.64 -1.24 3.00 -1.12 -4.99 117.38 107.94 1mda n GLN 350 Ca 0.00 -1.48 -0.09 0.00 -0.01 0.00 0.00 57.00 55.42 1mda n GLN 350 Cb 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 30.24 29.87 1mda n GLN 350 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1mda s SER 351 N -3.08 -0.44 -0.32 1.08 0.15 -1.26 -2.92 113.70 106.91 1mda s SER 351 Ca 0.34 0.86 -0.02 0.00 0.70 0.00 0.00 55.95 57.83 1mda s SER 351 Cb -0.02 0.87 0.11 0.00 -1.71 0.00 0.00 66.02 65.27 1mda s SER 351 CO 0.22 -0.15 0.14 -0.55 1.20 0.00 0.00 173.24 174.11 1mda s SER 352 N 0.23 3.58 1.04 5.45 0.15 -0.51 -4.98 113.70 118.67 1mda s SER 352 Ca 0.03 -1.67 -0.12 0.00 0.70 0.00 0.00 55.95 54.89 1mda s SER 352 Cb -0.05 -0.56 0.21 0.00 -1.71 0.00 0.00 66.02 63.91 1mda s SER 352 CO -0.06 -0.39 1.07 0.54 1.20 0.00 0.00 173.24 175.59 1mda s VAL 353 N 1.62 2.13 -1.59 4.45 0.11 -1.26 -2.49 120.40 123.36 1mda s VAL 353 Ca 0.12 0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 59.13 1mda s VAL 353 Cb -0.18 -2.36 0.07 0.00 -1.53 0.00 0.00 36.38 32.38 1mda s VAL 353 CO -0.23 -0.05 0.38 -1.84 -3.33 0.00 0.00 175.10 170.02 1mda n GLU 354 N -4.42 -2.05 -0.89 1.54 0.28 -0.99 -4.85 120.64 109.25 1mda n GLU 354 Ca 0.05 0.25 -0.14 0.00 -0.16 0.00 0.00 57.16 57.16 1mda n GLU 354 Cb 0.56 -4.35 0.00 0.00 1.43 0.00 0.00 31.44 29.08 1mda n GLU 354 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1mda n LEU 355 N -4.41 6.13 0.00 -1.84 4.77 -0.36 -4.96 117.00 116.33 1mda n LEU 355 Ca -0.17 -3.20 0.00 0.00 -0.03 0.00 0.00 56.01 52.61 1mda n LEU 355 Cb 0.61 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1mda n LEU 355 CO 0.84 1.28 0.00 0.47 -1.33 0.00 0.00 177.39 178.65 1mda n ASP 356 N 0.84 0.00 0.00 -1.43 8.00 -1.26 -4.29 116.55 118.40 1mda n ASP 356 Ca 0.27 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1mda n ASP 356 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1mda n ASP 356 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1mda n LYS 357 N 0.00 0.00 -2.73 -1.24 4.01 -1.26 -4.57 118.16 112.36 1mda n LYS 357 Ca 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.72 1mda n LYS 357 Cb 0.00 0.00 0.10 0.00 -0.51 0.00 0.00 35.03 34.62 1mda n LYS 357 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1mda n GLY 358 N 0.00 1.18 3.49 0.72 0.00 -1.26 -4.84 105.19 104.48 1mda n GLY 358 Ca 0.00 -0.22 -0.50 0.00 0.00 0.00 0.00 46.02 45.30 1mda n GLY 358 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mda n PRO 359 N -0.17 0.49 0.00 1.61 -0.04 -1.26 -4.31 135.00 131.33 1mda n PRO 359 Ca 0.02 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1mda n PRO 359 Cb 0.78 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 1mda n PRO 359 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1mda n GLU 360 N 1.26 3.86 -4.64 0.54 1.02 -0.89 -4.18 120.64 117.61 1mda n GLU 360 Ca 0.16 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 57.06 1mda n GLU 360 Cb 0.23 -0.32 -0.16 0.00 -0.02 0.00 0.00 31.44 31.16 1mda n GLU 360 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1mda s SER 361 N 0.00 1.79 -0.14 1.62 0.01 -1.21 -4.64 113.70 111.14 1mda s SER 361 Ca 0.00 -0.29 -0.03 0.00 1.31 0.00 0.00 55.95 56.93 1mda s SER 361 Cb 0.00 -0.61 -0.03 0.00 0.21 0.00 0.00 66.02 65.59 1mda s SER 361 CO 0.00 0.09 -0.02 -0.76 0.41 0.00 0.00 173.24 172.96 1mda s LEU 362 N 0.29 3.36 0.01 2.44 1.02 -1.26 -1.58 118.68 122.95 1mda s LEU 362 Ca -0.07 -0.05 0.01 0.00 0.02 0.00 0.00 54.13 54.03 1mda s LEU 362 Cb -0.12 -1.80 -0.01 0.00 0.02 0.00 0.00 46.19 44.28 1mda s LEU 362 CO 0.02 0.22 -0.03 -0.44 0.02 0.00 0.00 176.35 176.14 1mda s SER 363 N 0.05 0.34 0.04 2.29 0.01 -0.86 -4.92 113.70 110.65 1mda s SER 363 Ca 0.01 -0.18 -0.00 0.00 1.31 0.00 0.00 55.95 57.09 1mda s SER 363 Cb -0.13 -0.00 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 1mda s SER 363 CO 0.02 -0.05 -0.04 0.68 0.41 0.00 0.00 173.24 174.26 1mda s VAL 364 N -0.44 0.25 -0.05 3.43 -7.23 -1.26 -1.63 120.40 113.46 1mda s VAL 364 Ca -0.03 -1.40 -0.16 0.00 -1.81 0.00 0.00 61.98 58.57 1mda s VAL 364 Cb -0.03 -0.96 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 1mda s VAL 364 CO -0.00 -0.74 0.44 0.00 -0.31 0.00 0.00 175.10 174.49 1mda s GLN 365 N -2.74 4.14 -0.61 4.82 0.00 -1.26 -4.93 119.66 119.07 1mda s GLN 365 Ca -0.03 0.43 -0.23 0.00 -0.00 0.00 0.00 55.36 55.53 1mda s GLN 365 Cb -0.01 -3.32 0.06 0.00 0.00 0.00 0.00 33.01 29.73 1mda s GLN 365 CO -0.05 0.44 0.95 1.21 0.00 0.00 0.00 175.29 177.85 1mda s ASN 366 N -0.30 6.24 0.02 12.60 3.84 -1.25 -4.70 114.94 131.40 1mda s ASN 366 Ca 0.25 -0.69 0.05 0.00 0.21 0.00 0.00 52.86 52.67 1mda s ASN 366 Cb -0.16 -2.43 -0.02 0.00 -0.55 0.00 0.00 41.25 38.10 1mda s ASN 366 CO 0.12 -1.35 -0.14 -1.61 -2.79 0.00 0.00 177.10 171.34 1mda s GLU 367 N 4.03 0.96 0.00 0.43 2.02 -1.24 -4.49 118.70 120.42 1mda s GLU 367 Ca 0.26 -0.66 0.19 0.00 0.02 0.00 0.00 54.97 54.77 1mda s GLU 367 Cb -0.15 -0.96 1.11 0.00 0.10 0.00 0.00 34.13 34.24 1mda s GLU 367 CO 0.14 0.24 1.51 0.00 0.02 0.00 0.00 175.26 177.17