#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c1d s PRO 28 N 0.00 4.33 0.63 -0.24 0.04 -1.26 -4.89 135.00 133.61 2c1d s PRO 28 Ca 0.00 2.17 -0.15 0.00 0.04 0.00 0.00 61.00 63.06 2c1d s PRO 28 Cb 0.00 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 2c1d s PRO 28 CO 0.00 -0.34 1.09 0.54 0.04 0.00 0.00 177.00 178.32 2c1d s VAL 29 N 0.13 3.49 -0.43 -0.36 0.11 -0.57 -5.01 120.40 117.75 2c1d s VAL 29 Ca 0.59 0.71 -0.19 0.00 -2.93 0.00 0.00 61.98 60.15 2c1d s VAL 29 Cb -0.39 -3.23 0.02 0.00 -1.53 0.00 0.00 36.38 31.25 2c1d s VAL 29 CO 0.40 -0.41 0.56 -1.61 -3.33 0.00 0.00 175.10 170.70 2c1d s GLU 30 N -4.05 3.22 0.15 1.54 2.02 -1.26 -4.94 118.70 115.38 2c1d s GLU 30 Ca 0.66 -0.51 -0.25 0.00 0.02 0.00 0.00 54.97 54.89 2c1d s GLU 30 Cb -0.19 -3.95 0.06 0.00 0.10 0.00 0.00 34.13 30.15 2c1d s GLU 30 CO 0.39 -0.94 0.88 0.34 0.02 0.00 0.00 175.26 175.95 2c1d s ASP 31 N 1.92 -0.24 0.02 -0.19 -1.08 -1.26 -5.18 116.67 110.65 2c1d s ASP 31 Ca 0.18 -0.36 0.02 0.00 -0.52 0.00 0.00 52.55 51.87 2c1d s ASP 31 Cb -0.15 0.53 -0.01 0.00 -1.46 0.00 0.00 42.92 41.82 2c1d s ASP 31 CO 0.17 -0.95 -0.06 -0.83 0.52 0.00 0.00 175.17 174.02 2c1d s GLY 32 N -2.86 0.35 -0.31 2.66 0.00 -1.26 -5.04 107.32 100.87 2c1d s GLY 32 Ca 0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 44.72 44.32 2c1d s GLY 32 CO 0.01 -0.50 0.01 -2.27 0.00 0.00 0.00 173.10 170.35 2c1d s LEU 33 N -0.89 4.00 -0.18 0.66 2.96 -1.26 -5.05 118.68 118.92 2c1d s LEU 33 Ca -0.05 -1.37 0.01 0.00 -0.22 0.00 0.00 54.13 52.50 2c1d s LEU 33 Cb -0.06 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.95 2c1d s LEU 33 CO 0.00 -0.28 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.91 2c1d s VAL 34 N 1.22 1.81 -0.10 1.68 1.01 -1.26 -1.33 120.40 123.43 2c1d s VAL 34 Ca -0.04 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 60.80 2c1d s VAL 34 Cb -0.20 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2c1d s VAL 34 CO -0.02 0.39 0.76 -0.63 0.00 0.00 0.00 175.10 175.61 2c1d s ILE 35 N 1.37 4.98 0.03 2.22 1.01 -0.09 -4.84 121.20 125.87 2c1d s ILE 35 Ca 0.03 1.54 -0.30 0.00 0.00 0.00 0.00 60.65 61.92 2c1d s ILE 35 Cb -0.14 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 2c1d s ILE 35 CO -0.11 0.16 1.20 -1.61 0.00 0.00 0.00 174.94 174.59 2c1d s GLU 36 N 1.32 4.41 0.33 2.79 2.02 0.04 -1.36 118.70 128.26 2c1d s GLU 36 Ca 0.38 1.74 0.04 0.00 0.02 0.00 0.00 54.97 57.16 2c1d s GLU 36 Cb -0.18 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 2c1d s GLU 36 CO 0.17 -0.32 0.16 0.95 0.02 0.00 0.00 175.26 176.24 2c1d s THR 37 N 1.42 0.40 -0.91 3.63 -4.23 -1.21 -1.79 115.64 112.95 2c1d s THR 37 Ca 0.58 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.27 2c1d s THR 37 Cb -0.28 -2.48 0.16 0.00 1.34 0.00 0.00 72.50 71.23 2c1d s THR 37 CO 0.27 0.00 1.56 0.47 -0.54 0.00 0.00 174.62 176.38 2c1d n ASP 38 N -1.07 0.12 -0.63 3.99 8.00 -1.26 -2.76 116.55 122.94 2c1d n ASP 38 Ca -0.00 0.53 0.07 0.00 0.71 0.00 0.00 54.79 56.09 2c1d n ASP 38 Cb 0.65 -0.55 0.18 0.00 -0.02 0.00 0.00 41.12 41.37 2c1d n ASP 38 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2c1d n SER 39 N -1.63 3.19 0.00 -2.24 7.64 -1.26 -5.10 113.62 114.22 2c1d n SER 39 Ca 0.04 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.36 2c1d n SER 39 Cb 0.20 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2c1d n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2c1d n GLY 40 N -0.24 0.40 3.76 0.23 0.00 -1.11 -4.99 105.19 103.24 2c1d n GLY 40 Ca 0.15 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 2c1d n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2c1d s PRO 41 N -1.33 3.56 -0.22 1.61 0.04 -1.26 -3.31 135.00 134.09 2c1d s PRO 41 Ca 0.00 2.01 -0.00 0.00 0.04 0.00 0.00 61.00 63.05 2c1d s PRO 41 Cb 0.00 -2.41 0.06 0.00 0.04 0.00 0.00 34.50 32.19 2c1d s PRO 41 CO 0.00 -0.78 -0.03 0.08 0.04 0.00 0.00 177.00 176.31 2c1d s VAL 42 N -1.41 1.25 0.21 -0.36 1.01 -0.46 -4.96 120.40 115.68 2c1d s VAL 42 Ca 0.65 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 2c1d s VAL 42 Cb -0.34 -1.57 -0.09 0.00 0.00 0.00 0.00 36.38 34.38 2c1d s VAL 42 CO 0.42 -0.10 1.25 -1.61 0.00 0.00 0.00 175.10 175.05 2c1d s GLU 43 N 1.53 4.45 -0.21 2.72 2.02 -1.26 -0.91 118.70 127.03 2c1d s GLU 43 Ca -0.04 1.97 -0.01 0.00 0.02 0.00 0.00 54.97 56.91 2c1d s GLU 43 Cb -0.18 -3.21 0.02 0.00 0.10 0.00 0.00 34.13 30.86 2c1d s GLU 43 CO -0.07 -0.15 -0.12 0.42 0.02 0.00 0.00 175.26 175.36 2c1d s ILE 44 N -0.12 2.60 -0.30 -1.63 -1.09 -0.44 -4.64 121.20 115.59 2c1d s ILE 44 Ca 0.54 -0.90 -0.29 0.00 -2.23 0.00 0.00 60.65 57.77 2c1d s ILE 44 Cb -0.35 -2.21 -0.01 0.00 -1.58 0.00 0.00 42.46 38.32 2c1d s ILE 44 CO 0.39 0.39 1.47 -0.69 -1.23 0.00 0.00 174.94 175.26 2c1d s VAL 45 N 1.33 3.89 -1.23 2.92 1.01 -1.26 -4.43 120.40 122.63 2c1d s VAL 45 Ca 0.03 0.99 0.10 0.00 0.00 0.00 0.00 61.98 63.10 2c1d s VAL 45 Cb -0.15 -3.98 0.11 0.00 0.00 0.00 0.00 36.38 32.36 2c1d s VAL 45 CO -0.08 -0.46 0.88 0.35 0.00 0.00 0.00 175.10 175.78 2c1d n THR 46 N 6.54 0.13 -3.66 3.92 -2.24 -1.26 -1.48 114.28 116.22 2c1d n THR 46 Ca 0.17 -0.56 -0.08 0.00 -2.27 0.00 0.00 64.05 61.31 2c1d n THR 46 Cb 0.46 1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 69.73 2c1d n THR 46 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2c1d s LYS 47 N -0.87 0.43 0.29 -0.78 2.20 -1.26 -0.80 119.74 118.94 2c1d s LYS 47 Ca 0.13 1.06 -0.20 0.00 -0.36 0.00 0.00 55.97 56.60 2c1d s LYS 47 Cb 0.09 0.30 0.04 0.00 -1.51 0.00 0.00 37.83 36.75 2c1d s LYS 47 CO 0.13 -0.21 0.81 -0.08 -0.36 0.00 0.00 175.35 175.64 2c1d s THR 48 N 2.21 0.00 0.48 3.43 -1.32 -0.66 -5.01 115.64 114.77 2c1d s THR 48 Ca -0.06 -0.91 -0.22 0.00 -1.21 0.00 0.00 61.69 59.29 2c1d s THR 48 Cb -0.10 -2.35 -0.07 0.00 -1.51 0.00 0.00 72.50 68.47 2c1d s THR 48 CO -0.15 0.00 1.18 0.00 -2.21 0.00 0.00 174.62 173.44 2c1d s ALA 49 N -3.17 2.92 0.82 11.08 0.00 -1.26 -0.97 121.76 131.18 2c1d s ALA 49 Ca 0.13 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 2c1d s ALA 49 Cb -0.05 -3.39 0.08 0.00 0.00 0.00 0.00 23.12 19.76 2c1d s ALA 49 CO 0.08 -0.73 1.09 -1.25 0.00 0.00 0.00 175.76 174.95 2c1d s PRO 50 N -2.79 1.89 0.87 0.00 0.04 -1.26 -4.70 135.00 129.05 2c1d s PRO 50 Ca 0.65 1.10 -0.10 0.00 0.04 0.00 0.00 61.00 62.69 2c1d s PRO 50 Cb -0.29 -1.86 0.12 0.00 0.04 0.00 0.00 34.50 32.51 2c1d s PRO 50 CO 0.35 -1.88 1.13 -1.25 0.04 0.00 0.00 177.00 175.39 2c1d s PRO 51 N -4.89 1.42 0.30 0.56 0.04 -1.26 -4.78 135.00 126.39 2c1d s PRO 51 Ca 0.62 1.44 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 2c1d s PRO 51 Cb -0.18 -1.78 0.45 0.00 0.04 0.00 0.00 34.50 33.03 2c1d s PRO 51 CO 0.56 -2.31 1.96 0.00 0.04 0.00 0.00 177.00 177.25 2c1d h ALA 52 N -1.61 1.43 0.00 8.56 0.00 -1.97 -1.09 119.26 124.58 2c1d h ALA 52 Ca -0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2c1d h ALA 52 Cb 1.26 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2c1d h ALA 52 CO 0.45 0.51 0.00 0.27 0.00 0.00 0.00 179.25 180.48 2c1d h PHE 53 N 1.11 0.00 -0.23 0.00 -5.15 -1.99 -1.03 116.94 109.65 2c1d h PHE 53 Ca 0.32 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.09 2c1d h PHE 53 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.10 2c1d h PHE 53 CO -0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59 2c1d n LEU 54 N -2.80 2.75 -0.16 2.10 4.32 -0.43 -4.63 117.00 118.16 2c1d n LEU 54 Ca -0.02 -1.46 0.05 0.00 -0.02 0.00 0.00 56.01 54.56 2c1d n LEU 54 Cb 0.08 -0.15 0.35 0.00 -1.62 0.00 0.00 43.42 42.08 2c1d n LEU 54 CO 0.17 0.60 1.21 0.00 -1.22 0.00 0.00 177.39 178.15 2c1d h ALA 55 N 2.95 1.68 0.00 -1.18 0.00 -1.03 -0.61 119.26 121.08 2c1d h ALA 55 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2c1d h ALA 55 Cb 0.73 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2c1d h ALA 55 CO 0.00 0.23 0.00 0.22 0.00 0.00 0.00 179.25 179.70 2c1d h ASP 56 N 0.75 0.00 0.00 0.00 3.58 -1.82 -3.37 116.42 115.56 2c1d h ASP 56 Ca 0.28 0.00 -0.44 0.00 0.42 0.00 0.00 57.03 57.29 2c1d h ASP 56 Cb 0.17 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.15 2c1d h ASP 56 CO -0.09 0.00 -2.42 0.41 -2.88 0.00 0.00 179.24 174.27 2c1d n THR 57 N -2.30 1.53 -4.98 2.25 -1.04 -0.31 -5.00 114.28 104.44 2c1d n THR 57 Ca 0.04 -0.37 -0.28 0.00 -2.04 0.00 0.00 64.05 61.40 2c1d n THR 57 Cb 0.36 -1.85 -0.15 0.00 -1.82 0.00 0.00 70.33 66.86 2c1d n THR 57 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2c1d s PHE 58 N -2.50 1.94 0.23 -1.42 0.08 -0.77 -5.02 117.98 110.52 2c1d s PHE 58 Ca -0.37 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.31 2c1d s PHE 58 Cb 0.13 -1.22 0.23 0.00 -0.57 0.00 0.00 43.02 41.59 2c1d s PHE 58 CO 0.51 0.00 1.58 -0.44 -0.10 0.00 0.00 175.22 176.77 2c1d h ASP 59 N 5.41 0.47 -3.78 1.36 3.32 -1.87 -3.42 116.42 117.92 2c1d h ASP 59 Ca -0.41 -0.23 -0.16 0.00 0.02 0.00 0.00 57.03 56.25 2c1d h ASP 59 Cb 1.14 -0.13 -0.26 0.00 0.22 0.00 0.00 39.33 40.30 2c1d h ASP 59 CO 0.47 0.89 -0.39 -0.89 -1.72 0.00 0.00 179.24 177.60 2c1d s THR 60 N -4.05 -0.00 -0.02 0.35 2.01 -1.26 -4.46 115.64 108.21 2c1d s THR 60 Ca -0.06 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 2c1d s THR 60 Cb 0.12 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 2c1d s THR 60 CO 0.81 0.01 0.18 0.27 -0.69 0.00 0.00 174.62 175.20 2c1d s ILE 61 N 0.29 5.44 0.02 1.82 -4.36 -0.14 -4.88 121.20 119.39 2c1d s ILE 61 Ca -0.01 -0.09 0.04 0.00 -0.26 0.00 0.00 60.65 60.33 2c1d s ILE 61 Cb -0.03 -3.52 -0.02 0.00 1.25 0.00 0.00 42.46 40.14 2c1d s ILE 61 CO -0.01 0.37 -0.11 -0.31 0.24 0.00 0.00 174.94 175.12 2c1d s TYR 62 N -1.28 0.94 0.59 1.37 1.51 -1.26 -1.66 117.35 117.56 2c1d s TYR 62 Ca 0.26 -0.31 -0.20 0.00 -1.01 0.00 0.00 57.07 55.81 2c1d s TYR 62 Cb -0.13 -0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 41.12 2c1d s TYR 62 CO 0.17 -0.00 1.29 0.45 -1.11 0.00 0.00 175.55 176.34 2c1d s SER 63 N -0.91 5.03 0.60 2.29 0.15 0.02 -4.70 113.70 116.18 2c1d s SER 63 Ca -0.00 2.61 0.30 0.00 0.70 0.00 0.00 55.95 59.55 2c1d s SER 63 Cb -0.07 -2.62 1.70 0.00 -1.71 0.00 0.00 66.02 63.32 2c1d s SER 63 CO 0.01 -1.72 2.10 1.23 1.20 0.00 0.00 173.24 176.06 2c1d h GLY 64 N 1.01 0.00 0.52 9.45 0.00 -1.91 -2.32 103.07 109.82 2c1d h GLY 64 Ca -0.51 0.00 0.13 0.00 0.00 0.00 0.00 47.33 46.96 2c1d h GLY 64 CO 0.55 0.00 0.59 -0.25 0.00 0.00 0.00 176.54 177.44 2c1d h TRP 65 N 0.00 0.94 0.00 5.60 7.01 -1.91 -1.56 115.95 126.03 2c1d h TRP 65 Ca 0.08 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.11 2c1d h TRP 65 Cb 0.50 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 2c1d h TRP 65 CO 0.00 0.36 0.00 0.45 -2.79 0.00 0.00 178.44 176.46 2c1d h HIS 66 N 0.81 0.00 -0.26 2.65 3.86 -1.76 -2.77 115.15 117.68 2c1d h HIS 66 Ca 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.67 2c1d h HIS 66 Cb 0.62 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.09 2c1d h HIS 66 CO -0.00 0.00 0.00 1.19 0.86 0.00 0.00 177.93 179.98 2c1d n PHE 67 N -2.86 0.32 -3.82 2.45 3.01 -0.59 -1.52 117.46 114.46 2c1d n PHE 67 Ca -0.03 -0.19 -0.24 0.00 1.01 0.00 0.00 57.45 58.01 2c1d n PHE 67 Cb 0.06 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.51 2c1d n PHE 67 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2c1d s ARG 68 N -1.44 3.46 0.81 -1.08 1.81 -1.05 -4.71 118.95 116.75 2c1d s ARG 68 Ca 0.31 -0.57 -0.11 0.00 -1.72 0.00 0.00 55.73 53.63 2c1d s ARG 68 Cb 0.19 -2.87 0.08 0.00 -0.45 0.00 0.00 34.95 31.90 2c1d s ARG 68 CO 0.27 0.41 1.09 0.16 -0.68 0.00 0.00 175.30 176.55 2c1d s ASP 69 N -3.63 4.33 0.26 0.23 3.84 -1.26 -4.72 116.67 115.72 2c1d s ASP 69 Ca 0.36 1.39 -0.05 0.00 -0.00 0.00 0.00 52.55 54.25 2c1d s ASP 69 Cb -0.10 -2.13 0.29 0.00 -1.38 0.00 0.00 42.92 39.61 2c1d s ASP 69 CO 0.30 -2.08 1.93 -0.78 -0.00 0.00 0.00 175.17 174.54 2c1d h ASP 70 N -1.16 1.12 0.27 2.11 3.58 -1.98 -0.55 116.42 119.80 2c1d h ASP 70 Ca -0.47 -0.03 -0.10 0.00 0.42 0.00 0.00 57.03 56.85 2c1d h ASP 70 Cb 1.27 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 2c1d h ASP 70 CO 0.58 0.81 -0.40 0.77 -2.88 0.00 0.00 179.24 178.12 2c1d h SER 71 N 1.32 0.18 -0.10 2.28 4.64 -1.99 0.82 113.55 120.70 2c1d h SER 71 Ca 0.36 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.54 2c1d h SER 71 Cb -0.15 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 2c1d h SER 71 CO -0.08 0.57 -0.19 0.74 -0.87 0.00 0.00 176.83 177.00 2c1d h THR 72 N 0.15 1.39 -0.74 2.95 2.02 -1.80 -3.21 112.91 113.67 2c1d h THR 72 Ca 0.01 -1.47 0.11 0.00 0.77 0.00 0.00 66.41 65.83 2c1d h THR 72 Cb 0.77 2.11 -0.08 0.00 -1.74 0.00 0.00 68.15 69.22 2c1d h THR 72 CO 0.06 0.42 0.36 0.03 0.37 0.00 0.00 175.52 176.76 2c1d h ARG 73 N -0.14 0.57 -0.67 6.66 3.08 -0.72 -1.42 114.38 121.74 2c1d h ARG 73 Ca 0.00 -0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.17 2c1d h ARG 73 Cb 0.77 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 2c1d h ARG 73 CO 0.04 0.37 0.45 -0.44 -1.07 0.00 0.00 179.97 179.33 2c1d h ASP 74 N 0.58 0.26 0.39 7.04 3.45 -0.88 -2.35 116.42 124.91 2c1d h ASP 74 Ca 0.38 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.82 2c1d h ASP 74 Cb 0.45 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.18 2c1d h ASP 74 CO -0.31 0.14 -0.15 -0.07 -1.57 0.00 0.00 179.24 177.29 2c1d h LEU 75 N 0.28 0.00 0.00 1.55 3.38 -1.25 -1.95 115.31 117.31 2c1d h LEU 75 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2c1d h LEU 75 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2c1d h LEU 75 CO -0.08 0.15 -0.36 1.21 0.09 0.00 0.00 178.44 179.45 2c1d n GLU 76 N -3.71 0.15 0.26 1.13 2.13 -0.88 -2.92 120.64 116.80 2c1d n GLU 76 Ca -0.02 0.07 0.15 0.00 0.66 0.00 0.00 57.16 58.02 2c1d n GLU 76 Cb 0.26 -1.62 0.63 0.00 0.27 0.00 0.00 31.44 30.98 2c1d n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2c1d h ARG 77 N 0.00 0.00 -2.81 5.31 3.08 -1.40 -3.44 114.38 115.12 2c1d h ARG 77 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 2c1d h ARG 77 Cb 0.63 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.48 2c1d h ARG 77 CO 0.00 0.08 -0.18 0.16 -1.07 0.00 0.00 179.97 178.95 2c1d s ASP 78 N -5.87 -0.30 0.46 7.04 -4.77 -1.26 -0.78 116.67 111.20 2c1d s ASP 78 Ca 0.01 0.27 0.16 0.00 -3.30 0.00 0.00 52.55 49.69 2c1d s ASP 78 Cb 0.10 0.40 1.08 0.00 -1.09 0.00 0.00 42.92 43.41 2c1d s ASP 78 CO 0.57 -0.45 2.01 0.44 0.70 0.00 0.00 175.17 178.44 2c1d h ASP 79 N 3.85 0.00 -0.72 2.11 3.32 -1.64 -1.80 116.42 121.54 2c1d h ASP 79 Ca -0.29 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.74 2c1d h ASP 79 Cb 1.17 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 2c1d h ASP 79 CO 0.38 0.17 0.37 0.15 -1.72 0.00 0.00 179.24 178.59 2c1d h PHE 80 N 0.00 1.02 0.00 4.55 3.57 -1.95 -3.13 116.94 121.01 2c1d h PHE 80 Ca -0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2c1d h PHE 80 Cb 0.31 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2c1d h PHE 80 CO 0.00 0.74 -0.75 -0.44 -2.23 0.00 0.00 178.31 175.63 2c1d h ASP 81 N 1.01 0.00 -3.54 0.41 3.32 -1.70 -3.46 116.42 112.46 2c1d h ASP 81 Ca 0.25 -0.21 -0.56 0.00 0.02 0.00 0.00 57.03 56.53 2c1d h ASP 81 Cb 0.08 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.56 2c1d h ASP 81 CO -0.04 0.10 0.92 0.21 -1.72 0.00 0.00 179.24 178.72 2c1d s ASN 82 N -4.37 6.69 0.56 6.45 3.84 -0.73 -4.88 114.94 122.49 2c1d s ASN 82 Ca 0.05 0.70 0.35 0.00 0.21 0.00 0.00 52.86 54.17 2c1d s ASN 82 Cb 0.13 -2.55 1.59 0.00 -0.55 0.00 0.00 41.25 39.87 2c1d s ASN 82 CO 0.75 -1.16 2.05 1.55 -2.79 0.00 0.00 177.10 177.50 2c1d h PRO 83 N 9.06 0.00 0.00 0.43 0.13 -1.88 -2.11 132.00 137.63 2c1d h PRO 83 Ca -0.23 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.88 2c1d h PRO 83 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2c1d h PRO 83 CO 1.09 0.00 -0.09 0.00 -0.23 0.00 0.00 178.00 178.78 2c1d h ALA 84 N 2.02 1.36 0.00 -0.56 0.00 -1.90 -2.97 119.26 117.20 2c1d h ALA 84 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2c1d h ALA 84 Cb 0.38 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2c1d h ALA 84 CO 0.00 0.11 -0.07 0.52 0.00 0.00 0.00 179.25 179.81 2c1d h MET 85 N 0.00 0.00 -0.94 0.00 2.86 -1.68 -0.72 114.93 114.44 2c1d h MET 85 Ca -0.00 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 2c1d h MET 85 Cb 0.24 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.84 2c1d h MET 85 CO 0.01 0.07 0.60 0.28 1.06 0.00 0.00 176.91 178.94 2c1d h VAL 86 N 0.00 1.08 0.00 -2.22 2.07 -1.72 -1.98 116.25 113.48 2c1d h VAL 86 Ca -0.00 -0.38 -0.24 0.00 0.82 0.00 0.00 66.70 66.90 2c1d h VAL 86 Cb 0.34 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 2c1d h VAL 86 CO 0.01 0.20 -1.27 -0.26 0.02 0.00 0.00 177.57 176.27 2c1d h PHE 87 N 1.11 0.02 -0.58 1.57 -1.00 -1.34 -1.94 116.94 114.78 2c1d h PHE 87 Ca 0.40 -0.01 0.08 0.00 2.81 0.00 0.00 57.97 61.26 2c1d h PHE 87 Cb 0.14 -0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.64 2c1d h PHE 87 CO -0.01 1.01 0.22 0.28 -1.61 0.00 0.00 178.31 178.20 2c1d h VAL 88 N 0.00 0.81 -0.37 -0.55 2.07 -1.39 -0.39 116.25 116.44 2c1d h VAL 88 Ca -0.12 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 2c1d h VAL 88 Cb 1.87 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2c1d h VAL 88 CO 0.11 0.08 -0.25 -0.78 0.02 0.00 0.00 177.57 176.75 2c1d h ASP 89 N 0.41 0.76 0.08 0.57 3.58 -1.08 -1.36 116.42 119.38 2c1d h ASP 89 Ca 0.28 -0.29 -0.15 0.00 0.42 0.00 0.00 57.03 57.29 2c1d h ASP 89 Cb 0.32 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2c1d h ASP 89 CO -0.28 0.98 -0.54 -0.09 -2.88 0.00 0.00 179.24 176.44 2c1d h ARG 90 N 0.65 0.50 -0.98 0.28 2.43 -1.17 -2.12 114.38 113.96 2c1d h ARG 90 Ca 0.08 -0.31 0.08 0.00 -0.81 0.00 0.00 59.98 59.02 2c1d h ARG 90 Cb 0.76 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.28 2c1d h ARG 90 CO 0.06 0.91 0.63 0.78 -1.51 0.00 0.00 179.97 180.85 2c1d h GLY 91 N 1.13 1.50 1.12 2.80 0.00 -0.53 -0.55 103.07 108.54 2c1d h GLY 91 Ca 0.01 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 2c1d h GLY 91 CO 0.10 0.28 -0.06 -2.00 0.00 0.00 0.00 176.54 174.86 2c1d h LEU 92 N 1.09 1.02 -1.07 3.11 5.85 -0.66 0.93 115.31 125.59 2c1d h LEU 92 Ca 0.44 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2c1d h LEU 92 Cb 0.26 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2c1d h LEU 92 CO -0.19 1.11 0.63 0.44 -0.34 0.00 0.00 178.44 180.09 2c1d h ASP 93 N 0.93 1.09 0.28 1.25 3.32 -0.80 -2.07 116.42 120.43 2c1d h ASP 93 Ca 0.15 -0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.00 2c1d h ASP 93 Cb 0.62 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2c1d h ASP 93 CO 0.04 0.79 -0.69 0.11 -1.72 0.00 0.00 179.24 177.78 2c1d h LYS 94 N 1.29 0.36 -0.80 3.56 1.57 -0.53 -1.34 116.57 120.68 2c1d h LYS 94 Ca 0.35 -0.28 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2c1d h LYS 94 Cb -0.15 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 2c1d h LYS 94 CO -0.08 0.92 0.53 2.35 -0.57 0.00 0.00 179.45 182.60 2c1d h TRP 95 N 0.25 0.98 -0.01 -1.35 2.91 -0.62 -2.85 115.95 115.27 2c1d h TRP 95 Ca -0.02 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2c1d h TRP 95 Cb 1.24 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 29.56 2c1d h TRP 95 CO 0.04 0.60 -0.31 0.09 -1.03 0.00 0.00 178.44 177.83 2c1d n ASN 96 N -4.43 1.09 -4.74 2.65 3.02 -0.80 -2.10 115.26 109.95 2c1d n ASN 96 Ca 0.10 -0.91 -0.41 0.00 -0.03 0.00 0.00 54.58 53.33 2c1d n ASN 96 Cb 0.07 0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 39.38 2c1d n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c1d s ALA 97 N -2.54 3.30 -1.33 5.41 0.00 -0.53 -4.91 121.76 121.15 2c1d s ALA 97 Ca 0.23 0.52 -0.17 0.00 0.00 0.00 0.00 51.96 52.53 2c1d s ALA 97 Cb 0.19 -3.20 0.06 0.00 0.00 0.00 0.00 23.12 20.17 2c1d s ALA 97 CO 0.54 0.06 1.85 0.00 0.00 0.00 0.00 175.76 178.21 2c1d n ALA 98 N 2.45 3.92 -0.02 0.00 0.00 -1.26 -4.09 120.51 121.51 2c1d n ALA 98 Ca 0.00 -3.82 -0.06 0.00 0.00 0.00 0.00 53.44 49.56 2c1d n ALA 98 Cb 0.49 -3.59 -0.13 0.00 0.00 0.00 0.00 19.45 16.22 2c1d n ALA 98 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2c1d n MET 99 N 7.89 0.64 -1.02 0.00 2.81 -0.54 -4.72 117.12 122.18 2c1d n MET 99 Ca 0.50 0.18 -0.29 0.00 -1.81 0.00 0.00 57.70 56.27 2c1d n MET 99 Cb 0.44 -1.72 0.22 0.00 -0.71 0.00 0.00 33.22 31.45 2c1d n MET 99 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2c1d s GLY 100 N -5.08 1.56 0.30 3.03 0.00 0.05 -4.86 107.32 102.32 2c1d s GLY 100 Ca -0.06 -0.62 0.03 0.00 0.00 0.00 0.00 44.72 44.08 2c1d s GLY 100 CO 0.83 0.14 1.79 -0.39 0.00 0.00 0.00 173.10 175.47 2c1d h VAL 101 N -2.35 1.23 -0.81 1.40 -1.51 -1.70 -2.45 116.25 110.05 2c1d h VAL 101 Ca -0.51 -1.03 -0.42 0.00 -1.23 0.00 0.00 66.70 63.51 2c1d h VAL 101 Cb 1.32 1.13 -0.25 0.00 -2.13 0.00 0.00 31.29 31.36 2c1d h VAL 101 CO 0.46 0.34 0.44 0.59 -1.23 0.00 0.00 177.57 178.17 2c1d n ASN 102 N -4.20 3.37 0.00 4.19 3.02 -1.26 -4.92 115.26 115.46 2c1d n ASN 102 Ca 0.01 -3.67 0.00 0.00 -0.03 0.00 0.00 54.58 50.89 2c1d n ASN 102 Cb 0.33 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 2c1d n ASN 102 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c1d n GLY 103 N -1.14 0.50 3.77 7.41 0.00 -0.92 -5.02 105.19 109.79 2c1d n GLY 103 Ca 0.52 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 2c1d n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c1d s GLU 104 N -0.43 4.25 0.39 1.61 8.01 -1.26 -4.41 118.70 126.87 2c1d s GLU 104 Ca 0.00 2.35 0.08 0.00 0.01 0.00 0.00 54.97 57.40 2c1d s GLU 104 Cb 0.00 -3.02 -0.07 0.00 -4.31 0.00 0.00 34.13 26.73 2c1d s GLU 104 CO 0.00 -0.32 0.05 -1.54 0.01 0.00 0.00 175.26 173.46 2c1d s SER 105 N -0.37 4.08 0.21 -0.19 1.04 -1.26 -0.77 113.70 116.45 2c1d s SER 105 Ca 0.50 -1.20 -0.10 0.00 0.48 0.00 0.00 55.95 55.63 2c1d s SER 105 Cb -0.42 -0.44 0.22 0.00 0.10 0.00 0.00 66.02 65.47 2c1d s SER 105 CO 0.57 -0.42 1.82 0.00 0.98 0.00 0.00 173.24 176.18 2c1d h ALA 107 N 1.33 1.85 -0.88 0.00 0.00 -1.59 -0.30 119.26 119.67 2c1d h ALA 107 Ca 0.29 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.34 2c1d h ALA 107 Cb 0.12 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.76 2c1d h ALA 107 CO -0.15 0.12 0.40 0.77 0.00 0.00 0.00 179.25 180.39 2c1d h SER 108 N 0.11 0.38 0.00 0.00 0.02 -1.76 -0.12 113.55 112.18 2c1d h SER 108 Ca 0.03 0.14 -0.32 0.00 -0.84 0.00 0.00 61.79 60.79 2c1d h SER 108 Cb 0.09 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.67 2c1d h SER 108 CO 0.00 0.06 -2.22 0.00 -1.14 0.00 0.00 176.83 173.53 2c1d n HIS 110 N -2.82 0.00 -4.39 0.00 8.25 -0.16 -5.07 115.22 111.03 2c1d n HIS 110 Ca -0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 2c1d n HIS 110 Cb 1.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.13 2c1d n HIS 110 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2c1d n GLN 111 N -0.27 0.00 -1.33 -0.41 3.00 -0.06 -4.59 117.38 113.71 2c1d n GLN 111 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.74 2c1d n GLN 111 Cb 0.37 0.00 0.09 0.00 0.00 0.00 0.00 30.24 30.71 2c1d n GLN 111 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2c1d s GLY 112 N -0.88 1.97 0.42 1.08 0.00 -1.26 -4.22 107.32 104.43 2c1d s GLY 112 Ca 0.00 0.56 0.29 0.00 0.00 0.00 0.00 44.72 45.57 2c1d s GLY 112 CO 0.00 0.93 1.88 -0.56 0.00 0.00 0.00 173.10 175.35 2c1d h PRO 113 N -0.75 0.00 0.00 2.90 0.13 -1.99 -1.43 132.00 130.86 2c1d h PRO 113 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2c1d h PRO 113 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2c1d h PRO 113 CO 0.50 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.42 2c1d n GLU 114 N -2.60 0.14 0.24 0.86 0.00 -1.26 -1.54 120.64 116.48 2c1d n GLU 114 Ca 0.00 0.62 0.17 0.00 0.00 0.00 0.00 57.16 57.96 2c1d n GLU 114 Cb 0.18 -1.95 0.87 0.00 0.00 0.00 0.00 31.44 30.54 2c1d n GLU 114 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2c1d h SER 115 N 0.00 0.00 -0.55 -1.84 4.64 -1.50 -1.21 113.55 113.09 2c1d h SER 115 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c1d h SER 115 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2c1d h SER 115 CO 0.00 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 2c1d n MET 116 N -3.66 4.38 -1.60 4.77 2.81 -0.59 -4.99 117.12 118.25 2c1d n MET 116 Ca 0.01 -2.87 -0.47 0.00 -1.81 0.00 0.00 57.70 52.56 2c1d n MET 116 Cb 0.29 -2.13 -0.03 0.00 -0.71 0.00 0.00 33.22 30.63 2c1d n MET 116 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2c1d n ALA 117 N 0.69 -0.37 0.00 3.04 0.00 -0.46 -2.35 120.51 121.07 2c1d n ALA 117 Ca 0.25 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.13 2c1d n ALA 117 Cb 1.06 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2c1d n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c1d n GLY 118 N 1.90 3.05 0.12 0.00 0.00 -1.16 -4.88 105.19 104.22 2c1d n GLY 118 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 2c1d n GLY 118 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2c1d h LEU 119 N 0.00 -0.16 -1.46 0.99 5.85 -1.78 -2.64 115.31 116.12 2c1d h LEU 119 Ca 0.00 -0.20 0.18 0.00 0.84 0.00 0.00 57.88 58.70 2c1d h LEU 119 Cb 0.00 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 2c1d h LEU 119 CO 0.00 0.12 0.58 -0.09 -0.34 0.00 0.00 178.44 178.71 2c1d h ARG 120 N -0.44 0.46 0.00 1.25 9.65 -1.83 -1.60 114.38 121.86 2c1d h ARG 120 Ca -0.02 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.79 2c1d h ARG 120 Cb 0.35 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 2c1d h ARG 120 CO 0.03 0.30 -0.19 0.00 2.80 0.00 0.00 179.97 182.91 2c1d h ALA 121 N 1.62 1.40 -0.25 2.80 0.00 -1.79 -3.07 119.26 119.96 2c1d h ALA 121 Ca 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2c1d h ALA 121 Cb 1.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2c1d h ALA 121 CO -0.18 0.24 0.00 1.33 0.00 0.00 0.00 179.25 180.64 2c1d n VAL 122 N -3.90 1.50 -3.92 0.00 0.24 -0.62 -0.51 118.33 111.12 2c1d n VAL 122 Ca -0.02 -1.39 -0.32 0.00 -2.04 0.00 0.00 64.34 60.57 2c1d n VAL 122 Cb 0.28 0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 32.80 2c1d n VAL 122 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2c1d s MET 123 N -1.75 3.43 0.85 7.34 1.00 -1.11 -4.18 119.30 124.88 2c1d s MET 123 Ca 0.28 -0.38 -0.12 0.00 0.00 0.00 0.00 55.69 55.47 2c1d s MET 123 Cb 0.19 -3.07 0.10 0.00 0.00 0.00 0.00 34.83 32.06 2c1d s MET 123 CO 0.11 0.64 1.11 -2.14 0.00 0.00 0.00 175.02 174.74 2c1d s PRO 124 N -2.20 1.62 0.08 2.03 0.02 -1.26 -4.92 135.00 130.37 2c1d s PRO 124 Ca 0.31 0.52 -0.21 0.00 0.02 0.00 0.00 61.00 61.63 2c1d s PRO 124 Cb -0.13 -1.88 0.05 0.00 0.02 0.00 0.00 34.50 32.57 2c1d s PRO 124 CO 0.23 -1.91 0.51 -0.98 -0.33 0.00 0.00 177.00 174.52 2c1d s ARG 125 N -5.18 1.09 -0.23 5.54 1.70 -1.02 -4.74 118.95 116.11 2c1d s ARG 125 Ca 0.62 -0.37 -0.29 0.00 -0.47 0.00 0.00 55.73 55.22 2c1d s ARG 125 Cb -0.15 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 2c1d s ARG 125 CO 0.54 -0.42 1.09 0.08 -1.08 0.00 0.00 175.30 175.51 2c1d s VAL 126 N -2.96 4.57 0.34 4.99 1.01 -1.26 -1.02 120.40 126.08 2c1d s VAL 126 Ca -0.02 1.89 -0.29 0.00 0.00 0.00 0.00 61.98 63.56 2c1d s VAL 126 Cb -0.00 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 2c1d s VAL 126 CO -0.06 -0.22 1.54 -0.62 0.00 0.00 0.00 175.10 175.74 2c1d s ASP 127 N 1.43 6.35 0.49 3.32 -1.08 -0.27 -4.89 116.67 122.02 2c1d s ASP 127 Ca 0.46 3.02 0.24 0.00 -0.52 0.00 0.00 52.55 55.75 2c1d s ASP 127 Cb -0.16 -2.65 1.28 0.00 -1.46 0.00 0.00 42.92 39.93 2c1d s ASP 127 CO 0.09 -0.90 2.02 1.05 0.52 0.00 0.00 175.17 177.95 2c1d h GLU 128 N 3.79 0.00 0.02 4.34 4.11 -1.94 -1.88 114.58 123.02 2c1d h GLU 128 Ca -0.49 0.00 -0.39 0.00 0.07 0.00 0.00 59.36 58.55 2c1d h GLU 128 Cb 1.23 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 2c1d h GLU 128 CO 0.71 0.16 -2.24 0.72 0.07 0.00 0.00 179.01 178.43 2c1d n HIS 129 N -3.76 0.37 0.04 2.06 8.25 -1.26 -4.65 115.22 116.27 2c1d n HIS 129 Ca -0.02 0.11 0.06 0.00 -0.26 0.00 0.00 57.72 57.61 2c1d n HIS 129 Cb 0.27 -1.04 -0.08 0.00 1.12 0.00 0.00 29.99 30.26 2c1d n HIS 129 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2c1d n THR 130 N -3.81 0.75 -1.11 1.59 -2.24 -1.24 -4.97 114.28 103.26 2c1d n THR 130 Ca -0.45 -0.61 -0.04 0.00 -2.27 0.00 0.00 64.05 60.68 2c1d n THR 130 Cb 0.92 -0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 2c1d n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c1d n GLY 131 N 1.32 0.56 3.82 3.38 0.00 -0.71 -5.00 105.19 108.57 2c1d n GLY 131 Ca -0.07 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 2c1d n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c1d s LYS 132 N -1.68 4.17 0.16 1.61 1.02 -1.26 -4.70 119.74 119.05 2c1d s LYS 132 Ca 0.00 0.75 -0.31 0.00 0.02 0.00 0.00 55.97 56.43 2c1d s LYS 132 Cb 0.00 -2.89 -0.09 0.00 -0.52 0.00 0.00 37.83 34.33 2c1d s LYS 132 CO 0.00 0.42 1.47 -1.17 -0.92 0.00 0.00 175.35 175.14 2c1d s LEU 133 N -1.98 4.37 -0.07 3.17 2.96 -1.26 -1.12 118.68 124.75 2c1d s LEU 133 Ca 0.42 2.50 0.03 0.00 -0.22 0.00 0.00 54.13 56.86 2c1d s LEU 133 Cb -0.16 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.94 2c1d s LEU 133 CO 0.20 -0.73 -0.15 -0.04 -1.32 0.00 0.00 176.35 174.32 2c1d s MET 134 N 0.84 1.95 0.40 1.98 -1.94 -0.19 -4.94 119.30 117.40 2c1d s MET 134 Ca 0.66 -0.50 0.03 0.00 -1.71 0.00 0.00 55.69 54.16 2c1d s MET 134 Cb -0.40 -1.57 -0.01 0.00 2.01 0.00 0.00 34.83 34.85 2c1d s MET 134 CO 0.33 0.06 0.58 0.96 -0.01 0.00 0.00 175.02 176.94 2c1d s ILE 135 N 0.59 4.17 0.35 2.53 -4.36 -1.26 -2.43 121.20 120.79 2c1d s ILE 135 Ca -0.15 -0.68 0.07 0.00 -0.26 0.00 0.00 60.65 59.63 2c1d s ILE 135 Cb -0.16 -3.50 0.31 0.00 1.25 0.00 0.00 42.46 40.35 2c1d s ILE 135 CO 0.05 -0.29 1.91 -0.03 0.24 0.00 0.00 174.94 176.81 2c1d h MET 136 N 0.62 0.73 -0.64 0.37 1.85 -2.00 -0.73 114.93 115.13 2c1d h MET 136 Ca -0.47 -0.04 0.07 0.00 -0.61 0.00 0.00 59.70 58.65 2c1d h MET 136 Cb 1.25 -0.16 -0.04 0.00 0.43 0.00 0.00 31.60 33.08 2c1d h MET 136 CO 0.56 0.48 0.42 0.93 -0.40 0.00 0.00 176.91 178.91 2c1d h GLU 137 N 0.75 0.57 -0.45 0.39 3.07 -1.96 -1.34 114.58 115.60 2c1d h GLU 137 Ca 0.39 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 59.12 2c1d h GLU 137 Cb 0.48 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2c1d h GLU 137 CO -0.16 0.38 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.32 2c1d h ASP 138 N 0.59 0.85 -0.42 1.42 3.32 -1.51 -1.11 116.42 119.56 2c1d h ASP 138 Ca 0.28 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 2c1d h ASP 138 Cb 0.34 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2c1d h ASP 138 CO -0.09 1.00 0.15 1.88 -1.72 0.00 0.00 179.24 180.46 2c1d h TYR 139 N 0.69 0.65 -0.13 4.55 0.99 -1.26 -0.53 116.97 121.93 2c1d h TYR 139 Ca 0.12 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.80 2c1d h TYR 139 Cb 0.60 -0.19 -0.01 0.00 1.00 0.00 0.00 36.73 38.13 2c1d h TYR 139 CO 0.05 0.58 0.07 0.28 -0.00 0.00 0.00 178.16 179.14 2c1d h VAL 140 N 0.53 1.01 0.00 -2.88 2.07 -1.22 -2.73 116.25 113.03 2c1d h VAL 140 Ca 0.14 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.54 2c1d h VAL 140 Cb 0.22 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2c1d h VAL 140 CO -0.01 0.03 -0.30 0.78 0.02 0.00 0.00 177.57 178.09 2c1d h ASN 141 N 0.15 0.00 -0.72 0.57 2.35 -1.10 -1.34 115.58 115.51 2c1d h ASN 141 Ca 0.05 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 2c1d h ASN 141 Cb -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 2c1d h ASN 141 CO -0.03 0.30 0.33 0.00 -1.65 0.00 0.00 177.43 176.38 2c1d h ALA 142 N 1.70 0.93 -0.10 -0.83 0.00 -0.79 -1.21 119.26 118.96 2c1d h ALA 142 Ca -0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.55 2c1d h ALA 142 Cb 0.80 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2c1d h ALA 142 CO 0.04 0.50 -0.72 0.00 0.00 0.00 0.00 179.25 179.08 2c1d h VAL 144 N 0.34 0.89 0.00 0.00 2.07 -1.11 -0.81 116.25 117.62 2c1d h VAL 144 Ca -0.06 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2c1d h VAL 144 Cb 1.36 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2c1d h VAL 144 CO 0.15 0.10 -0.25 0.71 0.02 0.00 0.00 177.57 178.30 2c1d h THR 145 N 0.56 0.00 -0.54 2.57 1.35 -1.29 -2.24 112.91 113.31 2c1d h THR 145 Ca 0.29 -0.99 -0.11 0.00 -0.55 0.00 0.00 66.41 65.06 2c1d h THR 145 Cb 0.26 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.66 2c1d h THR 145 CO -0.22 0.00 -0.10 -0.33 -0.25 0.00 0.00 175.52 174.62 2c1d h GLU 146 N -0.99 1.01 0.00 4.72 4.39 -1.46 -2.22 114.58 120.03 2c1d h GLU 146 Ca 0.00 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2c1d h GLU 146 Cb 0.25 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2c1d h GLU 146 CO 0.00 1.05 -1.44 0.54 -1.16 0.00 0.00 179.01 178.00 2c1d n ARG 147 N -4.15 0.87 0.00 2.33 1.74 -0.71 -4.45 116.66 112.30 2c1d n ARG 147 Ca 0.02 -0.10 0.02 0.00 -0.77 0.00 0.00 57.85 57.02 2c1d n ARG 147 Cb 0.40 -1.36 0.01 0.00 -1.02 0.00 0.00 32.46 30.48 2c1d n ARG 147 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2c1d n MET 148 N -1.85 1.35 -2.52 5.56 2.81 -0.39 -4.97 117.12 117.12 2c1d n MET 148 Ca -0.01 -0.55 -0.19 0.00 -1.81 0.00 0.00 57.70 55.15 2c1d n MET 148 Cb 0.38 -0.97 -0.00 0.00 -0.71 0.00 0.00 33.22 31.92 2c1d n MET 148 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2c1d n GLY 149 N 0.49 -0.50 3.88 3.03 0.00 -0.83 -2.02 105.19 109.23 2c1d n GLY 149 Ca 0.02 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 2c1d n GLY 149 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c1d s LEU 150 N -6.02 3.85 0.39 0.99 1.43 -0.85 -4.76 118.68 113.71 2c1d s LEU 150 Ca 0.05 -0.26 -0.26 0.00 -1.03 0.00 0.00 54.13 52.62 2c1d s LEU 150 Cb -0.02 -2.44 -0.09 0.00 0.03 0.00 0.00 46.19 43.67 2c1d s LEU 150 CO 0.06 -0.18 1.26 -0.70 0.23 0.00 0.00 176.35 177.02 2c1d s GLU 151 N -3.95 4.05 0.35 1.70 2.12 -1.26 -4.13 118.70 117.58 2c1d s GLU 151 Ca 0.37 2.07 -0.27 0.00 0.36 0.00 0.00 54.97 57.50 2c1d s GLU 151 Cb -0.08 -2.78 -0.12 0.00 0.26 0.00 0.00 34.13 31.41 2c1d s GLU 151 CO 0.27 -0.39 1.14 0.36 -0.54 0.00 0.00 175.26 176.10 2c1d n LYS 152 N 0.22 1.71 -2.48 4.30 2.85 -1.26 -4.85 118.16 118.64 2c1d n LYS 152 Ca 0.03 0.60 -0.40 0.00 -1.05 0.00 0.00 58.31 57.49 2c1d n LYS 152 Cb 0.44 -2.13 -0.04 0.00 -0.65 0.00 0.00 35.03 32.65 2c1d n LYS 152 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2c1d s TRP 153 N -1.14 3.57 0.37 5.58 0.51 -1.26 -5.01 118.94 121.57 2c1d s TRP 153 Ca 0.59 1.70 -0.27 0.00 -2.12 0.00 0.00 56.10 56.00 2c1d s TRP 153 Cb -0.60 -3.27 -0.11 0.00 -0.81 0.00 0.00 33.47 28.68 2c1d s TRP 153 CO 0.60 -0.53 1.25 0.41 -0.51 0.00 0.00 176.95 178.18 2c1d n GLY 154 N 1.15 0.48 0.22 0.98 0.00 -1.26 -4.88 105.19 101.89 2c1d n GLY 154 Ca -0.01 0.26 0.15 0.00 0.00 0.00 0.00 46.02 46.43 2c1d n GLY 154 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2c1d h VAL 155 N 2.29 0.00 -0.05 1.61 -1.51 -1.94 -1.89 116.25 114.76 2c1d h VAL 155 Ca -0.46 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 2c1d h VAL 155 Cb 1.29 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 2c1d h VAL 155 CO 0.61 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.30 2c1d n THR 156 N -2.74 1.91 -1.02 7.19 -2.24 -1.26 -4.76 114.28 111.35 2c1d n THR 156 Ca 0.01 -2.11 -0.31 0.00 -2.27 0.00 0.00 64.05 59.37 2c1d n THR 156 Cb 0.26 -0.19 0.12 0.00 -2.10 0.00 0.00 70.33 68.42 2c1d n THR 156 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2c1d s SER 157 N -2.57 3.77 0.27 3.42 1.04 -0.71 -4.80 113.70 114.12 2c1d s SER 157 Ca 0.32 2.03 -0.04 0.00 0.48 0.00 0.00 55.95 58.74 2c1d s SER 157 Cb 0.27 -2.55 0.35 0.00 0.10 0.00 0.00 66.02 64.19 2c1d s SER 157 CO 0.04 -2.53 1.92 0.44 0.98 0.00 0.00 173.24 174.09 2c1d h ASP 158 N -1.40 1.02 -0.44 7.02 3.45 -1.97 -0.17 116.42 123.92 2c1d h ASP 158 Ca -0.44 -0.06 0.02 0.00 0.43 0.00 0.00 57.03 56.98 2c1d h ASP 158 Cb 1.25 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 39.74 2c1d h ASP 158 CO 0.47 0.78 0.27 0.78 -1.57 0.00 0.00 179.24 179.96 2c1d h ASN 159 N 1.17 0.43 -0.13 6.45 2.35 -1.92 -0.79 115.58 123.14 2c1d h ASN 159 Ca 0.30 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.04 2c1d h ASN 159 Cb -0.05 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2c1d h ASN 159 CO -0.06 0.31 0.03 -0.03 -1.65 0.00 0.00 177.43 176.04 2c1d h MET 160 N 0.54 0.21 -0.54 0.81 4.05 -1.65 -1.42 114.93 116.92 2c1d h MET 160 Ca 0.18 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.48 2c1d h MET 160 Cb 0.00 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 2c1d h MET 160 CO -0.08 0.37 0.08 0.87 0.23 0.00 0.00 176.91 178.38 2c1d h LYS 161 N 0.01 0.90 -0.60 0.39 1.57 -0.85 0.95 116.57 118.95 2c1d h LYS 161 Ca 0.04 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2c1d h LYS 161 Cb 0.25 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2c1d h LYS 161 CO 0.00 0.88 0.33 -0.44 -0.57 0.00 0.00 179.45 179.65 2c1d h ASP 162 N 0.79 0.74 -0.38 0.86 3.32 -1.16 -0.96 116.42 119.63 2c1d h ASP 162 Ca 0.16 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 2c1d h ASP 162 Cb 0.42 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2c1d h ASP 162 CO 0.01 0.62 -0.03 -0.03 -1.72 0.00 0.00 179.24 178.09 2c1d h MET 163 N 0.81 0.68 -0.28 3.56 4.05 -0.71 -1.72 114.93 121.32 2c1d h MET 163 Ca 0.21 -0.23 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 2c1d h MET 163 Cb 0.04 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 2c1d h MET 163 CO -0.03 0.80 -0.01 -0.07 0.23 0.00 0.00 176.91 177.83 2c1d h LEU 164 N 0.50 0.39 -0.34 3.39 3.38 -0.69 -0.71 115.31 121.23 2c1d h LEU 164 Ca 0.10 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2c1d h LEU 164 Cb 0.51 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2c1d h LEU 164 CO 0.02 0.46 0.08 0.28 0.09 0.00 0.00 178.44 179.38 2c1d h SER 165 N 0.41 0.52 -0.63 -0.43 0.02 -0.82 0.53 113.55 113.14 2c1d h SER 165 Ca 0.09 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2c1d h SER 165 Cb 0.29 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 2c1d h SER 165 CO 0.01 0.62 0.41 0.25 -1.14 0.00 0.00 176.83 176.98 2c1d h LEU 166 N 0.39 0.71 -0.38 5.07 5.85 -0.67 -2.07 115.31 124.20 2c1d h LEU 166 Ca 0.11 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.65 2c1d h LEU 166 Cb 0.31 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2c1d h LEU 166 CO 0.00 0.51 -0.40 0.40 -0.34 0.00 0.00 178.44 178.61 2c1d h ILE 167 N 0.84 1.27 -1.00 4.05 2.04 -0.92 -2.92 117.51 120.87 2c1d h ILE 167 Ca 0.24 -1.57 0.05 0.00 1.00 0.00 0.00 64.86 64.57 2c1d h ILE 167 Cb -0.07 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 2c1d h ILE 167 CO -0.06 0.53 0.65 -1.28 0.00 0.00 0.00 178.15 177.99 2c1d h SER 168 N 0.77 1.07 -0.18 1.72 0.87 -0.58 -1.12 113.55 116.09 2c1d h SER 168 Ca 0.06 -0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.67 2c1d h SER 168 Cb 1.00 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 2c1d h SER 168 CO 0.10 0.72 0.23 -0.07 -0.53 0.00 0.00 176.83 177.27 2c1d h LEU 169 N 1.23 0.00 0.00 2.23 -0.00 -1.18 -2.07 115.31 115.53 2c1d h LEU 169 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.29 2c1d h LEU 169 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 2c1d h LEU 169 CO -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.30 2c1d n GLN 170 N -3.67 0.79 0.00 1.13 1.13 -0.42 -2.29 117.38 114.04 2c1d n GLN 170 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2c1d n GLN 170 Cb 0.34 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.19 2c1d n GLN 170 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2c1d n SER 171 N -1.10 1.88 -4.67 1.08 7.64 -0.78 -2.97 113.62 114.69 2c1d n SER 171 Ca 0.20 -1.90 -0.46 0.00 1.01 0.00 0.00 58.87 57.72 2c1d n SER 171 Cb 0.16 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.32 2c1d n SER 171 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2c1d n ARG 172 N -0.45 2.11 0.00 1.43 0.63 -0.97 -1.39 116.66 118.01 2c1d n ARG 172 Ca 0.00 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.69 2c1d n ARG 172 Cb 0.24 -2.50 0.00 0.00 0.45 0.00 0.00 32.46 30.64 2c1d n ARG 172 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2c1d n GLY 173 N 3.17 2.42 3.81 5.14 0.00 -0.22 -4.98 105.19 114.53 2c1d n GLY 173 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2c1d n GLY 173 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2c1d s MET 174 N -0.52 4.35 0.13 1.61 -1.94 -0.49 -4.77 119.30 117.67 2c1d s MET 174 Ca 0.00 1.09 -0.31 0.00 -1.71 0.00 0.00 55.69 54.76 2c1d s MET 174 Cb 0.00 -2.61 -0.08 0.00 2.01 0.00 0.00 34.83 34.15 2c1d s MET 174 CO 0.00 0.21 1.37 0.00 -0.01 0.00 0.00 175.02 176.59 2c1d s ALA 175 N -1.79 3.57 0.01 3.03 0.00 -1.26 -0.72 121.76 124.60 2c1d s ALA 175 Ca 0.52 1.11 -0.36 0.00 0.00 0.00 0.00 51.96 53.23 2c1d s ALA 175 Cb -0.15 -3.52 -0.14 0.00 0.00 0.00 0.00 23.12 19.31 2c1d s ALA 175 CO 0.20 -0.59 1.62 0.28 0.00 0.00 0.00 175.76 177.27 2c1d n VAL 176 N 3.68 0.20 -3.12 0.00 0.31 0.42 -4.82 118.33 115.00 2c1d n VAL 176 Ca 0.10 -0.04 -0.20 0.00 -0.01 0.00 0.00 64.34 64.20 2c1d n VAL 176 Cb 0.43 -1.40 -0.05 0.00 -0.91 0.00 0.00 33.84 31.91 2c1d n VAL 176 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2c1d n ASN 177 N 4.33 -0.98 -4.63 4.52 5.15 0.33 -1.50 115.26 122.47 2c1d n ASN 177 Ca 0.20 -2.73 -0.39 0.00 -0.60 0.00 0.00 54.58 51.06 2c1d n ASN 177 Cb 0.24 0.09 -0.08 0.00 -0.53 0.00 0.00 39.78 39.50 2c1d n ASN 177 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2c1d s VAL 178 N -0.25 5.12 0.13 3.44 1.01 -1.26 -4.41 120.40 124.18 2c1d s VAL 178 Ca 0.33 0.81 -0.30 0.00 0.00 0.00 0.00 61.98 62.82 2c1d s VAL 178 Cb 0.12 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 2c1d s VAL 178 CO -0.15 0.14 1.26 -0.75 0.00 0.00 0.00 175.10 175.60 2c1d s LYS 179 N 1.97 4.42 0.00 2.72 2.20 -1.26 -4.89 119.74 124.90 2c1d s LYS 179 Ca 0.20 1.91 0.00 0.00 -0.36 0.00 0.00 55.97 57.72 2c1d s LYS 179 Cb -0.15 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 2c1d s LYS 179 CO 0.09 -0.25 0.39 0.44 -0.36 0.00 0.00 175.35 175.66 2c1d n ILE 180 N 3.36 0.00 -3.59 5.43 -5.35 -1.26 -4.87 119.36 113.09 2c1d n ILE 180 Ca 0.08 -0.41 -0.17 0.00 -0.27 0.00 0.00 62.75 61.99 2c1d n ILE 180 Cb 0.44 1.17 0.01 0.00 -1.74 0.00 0.00 39.64 39.53 2c1d n ILE 180 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2c1d n ASP 181 N -0.04 2.00 0.00 7.28 3.85 -1.26 -3.39 116.55 124.99 2c1d n ASP 181 Ca 0.00 -2.22 0.00 0.00 -0.71 0.00 0.00 54.79 51.86 2c1d n ASP 181 Cb 0.04 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 39.72 2c1d n ASP 181 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2c1d n GLY 182 N 0.47 2.41 0.33 6.12 0.00 -1.26 -2.28 105.19 110.98 2c1d n GLY 182 Ca 0.02 -0.46 0.22 0.00 0.00 0.00 0.00 46.02 45.79 2c1d n GLY 182 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2c1d h PRO 183 N 0.00 0.00 0.00 1.61 0.11 -2.00 -1.15 132.00 130.56 2c1d h PRO 183 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2c1d h PRO 183 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2c1d h PRO 183 CO 0.00 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 177.76 2c1d h ALA 184 N 2.00 1.00 -0.49 -0.75 0.00 -1.75 -3.39 119.26 115.88 2c1d h ALA 184 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2c1d h ALA 184 Cb 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2c1d h ALA 184 CO 0.00 0.04 0.25 0.00 0.00 0.00 0.00 179.25 179.54 2c1d h ALA 185 N 1.97 0.64 -0.42 0.00 0.00 -1.22 -1.24 119.26 118.99 2c1d h ALA 185 Ca -0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 2c1d h ALA 185 Cb 0.58 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2c1d h ALA 185 CO 0.00 0.18 -0.27 -1.35 0.00 0.00 0.00 179.25 177.81 2c1d h PRO 186 N 0.66 0.89 -1.00 0.00 0.11 -1.79 -0.47 132.00 130.39 2c1d h PRO 186 Ca 0.17 -0.40 0.06 0.00 0.11 0.00 0.00 66.00 65.94 2c1d h PRO 186 Cb 0.08 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.11 2c1d h PRO 186 CO -0.02 1.05 0.65 1.88 -0.21 0.00 0.00 178.00 181.34 2c1d h TYR 187 N 0.76 1.20 -0.32 0.65 -1.99 -1.75 -0.88 116.97 114.64 2c1d h TYR 187 Ca 0.09 0.03 -0.17 0.00 2.00 0.00 0.00 58.73 60.69 2c1d h TYR 187 Cb 0.83 -0.40 -0.00 0.00 2.00 0.00 0.00 36.73 39.16 2c1d h TYR 187 CO 0.05 0.65 -0.45 2.35 -0.00 0.00 0.00 178.16 180.76 2c1d h TRP 188 N 1.20 1.06 -0.17 4.88 7.01 -0.81 -1.69 115.95 127.42 2c1d h TRP 188 Ca 0.42 -0.35 -0.07 0.00 2.11 0.00 0.00 58.89 61.00 2c1d h TRP 188 Cb 0.12 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 26.95 2c1d h TRP 188 CO -0.00 1.17 -0.20 0.93 -2.79 0.00 0.00 178.44 177.55 2c1d h GLU 189 N 0.65 0.30 -0.40 2.65 4.39 -0.87 0.14 114.58 121.44 2c1d h GLU 189 Ca 0.03 -0.09 -0.14 0.00 0.34 0.00 0.00 59.36 59.51 2c1d h GLU 189 Cb 1.05 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 2c1d h GLU 189 CO 0.10 0.49 -0.29 1.25 -1.16 0.00 0.00 179.01 179.41 2c1d h HIS 190 N 0.27 1.00 -0.34 4.33 2.76 -0.74 -2.01 115.15 120.42 2c1d h HIS 190 Ca 0.05 -0.26 -0.08 0.00 -2.20 0.00 0.00 60.37 57.88 2c1d h HIS 190 Cb 0.51 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 2c1d h HIS 190 CO 0.01 1.04 -0.09 0.78 -1.30 0.00 0.00 177.93 178.37 2c1d h GLY 191 N 0.90 0.72 0.71 5.26 0.00 -0.70 -2.93 103.07 107.03 2c1d h GLY 191 Ca 0.08 -0.60 0.05 0.00 0.00 0.00 0.00 47.33 46.87 2c1d h GLY 191 CO 0.07 0.55 0.34 1.70 0.00 0.00 0.00 176.54 179.20 2c1d h LYS 192 N 0.45 0.62 -0.56 4.80 3.64 -0.64 -1.05 116.57 123.81 2c1d h LYS 192 Ca 0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2c1d h LYS 192 Cb 0.60 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 2c1d h LYS 192 CO 0.04 0.41 0.37 1.49 -2.27 0.00 0.00 179.45 179.48 2c1d h GLU 193 N 0.64 0.75 -0.50 1.90 4.81 -1.24 -1.45 114.58 119.48 2c1d h GLU 193 Ca 0.27 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 2c1d h GLU 193 Cb 0.15 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2c1d h GLU 193 CO -0.17 0.50 0.30 0.82 -0.73 0.00 0.00 179.01 179.73 2c1d h ILE 194 N 0.76 1.05 -0.57 2.32 2.04 -1.27 -2.14 117.51 119.70 2c1d h ILE 194 Ca 0.21 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2c1d h ILE 194 Cb -0.08 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 2c1d h ILE 194 CO -0.04 0.11 0.38 0.22 0.00 0.00 0.00 178.15 178.82 2c1d h TYR 195 N 0.60 0.43 -0.02 1.37 3.20 -0.12 -1.92 116.97 120.51 2c1d h TYR 195 Ca 0.20 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.08 2c1d h TYR 195 Cb 0.02 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.15 2c1d h TYR 195 CO -0.07 0.21 -0.15 0.66 -1.64 0.00 0.00 178.16 177.17 2c1d n TYR 196 N -4.47 0.00 -2.51 -3.82 4.02 -1.02 -2.37 117.16 107.00 2c1d n TYR 196 Ca 0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.56 2c1d n TYR 196 Cb 0.34 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.63 2c1d n TYR 196 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2c1d s THR 197 N -2.01 4.29 -0.64 -0.72 2.01 -0.72 -4.83 115.64 113.02 2c1d s THR 197 Ca 0.23 1.64 -0.20 0.00 0.31 0.00 0.00 61.69 63.67 2c1d s THR 197 Cb 0.18 -4.05 0.09 0.00 0.01 0.00 0.00 72.50 68.73 2c1d s THR 197 CO 0.36 0.12 0.82 -0.13 -0.69 0.00 0.00 174.62 175.11 2c1d s ARG 198 N 1.11 3.10 0.48 4.92 0.52 -1.26 -3.82 118.95 124.00 2c1d s ARG 198 Ca 0.57 -1.18 -0.04 0.00 -0.52 0.00 0.00 55.73 54.56 2c1d s ARG 198 Cb -0.27 -4.29 -0.03 0.00 0.52 0.00 0.00 34.95 30.89 2c1d s ARG 198 CO 0.28 -1.66 0.77 0.71 0.02 0.00 0.00 175.30 175.43 2c1d s TYR 199 N 3.17 3.48 0.15 -0.53 1.51 -0.78 -4.33 117.35 120.01 2c1d s TYR 199 Ca 0.17 0.68 0.00 0.00 -1.01 0.00 0.00 57.07 56.91 2c1d s TYR 199 Cb -0.20 -2.33 0.00 0.00 -0.11 0.00 0.00 41.96 39.32 2c1d s TYR 199 CO 0.07 -0.33 0.00 0.41 -1.11 0.00 0.00 175.55 174.59 2c1d n GLY 200 N -2.25 -1.72 0.27 0.71 0.00 -1.26 -1.70 105.19 99.24 2c1d n GLY 200 Ca 0.01 -1.38 0.14 0.00 0.00 0.00 0.00 46.02 44.78 2c1d n GLY 200 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2c1d h GLN 201 N -0.52 0.00 0.00 1.61 4.15 -0.81 -1.70 115.11 117.85 2c1d h GLN 201 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2c1d h GLN 201 Cb 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 2c1d h GLN 201 CO 0.01 0.10 0.00 -0.07 -1.93 0.00 0.00 178.83 176.93 2c1d h LEU 202 N 0.00 0.00 -2.58 -2.39 3.38 -1.40 -3.49 115.31 108.83 2c1d h LEU 202 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2c1d h LEU 202 Cb 0.29 0.00 0.18 0.00 0.09 0.00 0.00 40.66 41.22 2c1d h LEU 202 CO 0.01 0.00 -0.87 -0.62 0.09 0.00 0.00 178.44 177.06 2c1d n GLU 203 N -2.50 -2.06 -4.38 1.13 1.02 -0.64 -5.01 120.64 108.20 2c1d n GLU 203 Ca 0.05 0.80 -0.22 0.00 -0.02 0.00 0.00 57.16 57.77 2c1d n GLU 203 Cb 0.44 -5.54 -0.16 0.00 -0.02 0.00 0.00 31.44 26.16 2c1d n GLU 203 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2c1d s MET 204 N -4.65 1.19 0.26 3.49 -1.94 -0.78 -4.70 119.30 112.17 2c1d s MET 204 Ca 0.46 -0.26 0.06 0.00 -1.71 0.00 0.00 55.69 54.23 2c1d s MET 204 Cb -0.08 -1.06 -0.03 0.00 2.01 0.00 0.00 34.83 35.67 2c1d s MET 204 CO 0.76 0.00 0.34 -1.54 -0.01 0.00 0.00 175.02 174.57 2c1d s SER 205 N 0.66 6.04 0.24 3.03 1.04 -1.25 -1.87 113.70 121.59 2c1d s SER 205 Ca -0.11 -0.06 -0.06 0.00 0.48 0.00 0.00 55.95 56.19 2c1d s SER 205 Cb -0.14 -1.63 0.45 0.00 0.10 0.00 0.00 66.02 64.80 2c1d s SER 205 CO 0.02 -0.13 1.66 0.00 0.98 0.00 0.00 173.24 175.77 2c1d h ALA 207 N 1.65 1.29 -0.78 0.00 0.00 -1.90 -0.67 119.26 118.86 2c1d h ALA 207 Ca 0.41 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.34 2c1d h ALA 207 Cb 0.72 -0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.15 2c1d h ALA 207 CO -0.58 0.54 0.30 -0.91 0.00 0.00 0.00 179.25 178.60 2c1d h ASN 208 N 0.94 0.26 0.00 0.00 2.35 -1.58 0.93 115.58 118.48 2c1d h ASN 208 Ca 0.23 0.12 -0.18 0.00 -0.55 0.00 0.00 56.30 55.92 2c1d h ASN 208 Cb 0.12 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 2c1d h ASN 208 CO -0.03 0.08 -1.02 0.00 -1.65 0.00 0.00 177.43 174.81 2c1d n HIS 210 N -4.47 0.47 -0.07 0.00 8.25 -0.28 -2.59 115.22 116.53 2c1d n HIS 210 Ca -0.27 0.14 -0.14 0.00 -0.26 0.00 0.00 57.72 57.18 2c1d n HIS 210 Cb 0.62 -0.60 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 2c1d n HIS 210 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2c1d n GLU 211 N -2.10 0.34 0.22 -0.41 2.13 -0.11 -4.14 120.64 116.57 2c1d n GLU 211 Ca 0.02 0.15 0.11 0.00 0.66 0.00 0.00 57.16 58.10 2c1d n GLU 211 Cb 0.45 -1.08 0.35 0.00 0.27 0.00 0.00 31.44 31.43 2c1d n GLU 211 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2c1d h ASP 212 N -0.60 0.00 0.00 4.31 3.32 -1.00 -3.34 116.42 119.11 2c1d h ASP 212 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2c1d h ASP 212 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2c1d h ASP 212 CO -0.18 0.14 -0.23 0.59 -1.72 0.00 0.00 179.24 177.84 2c1d n ASN 213 N -3.19 0.97 -4.72 6.45 3.02 -1.07 -5.02 115.26 111.70 2c1d n ASN 213 Ca 0.02 -2.25 -0.42 0.00 -0.03 0.00 0.00 54.58 51.90 2c1d n ASN 213 Cb 0.48 -0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 2c1d n ASN 213 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c1d n ALA 214 N -0.53 2.56 0.00 5.41 0.00 -1.14 -1.64 120.51 125.17 2c1d n ALA 214 Ca 0.05 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2c1d n ALA 214 Cb 0.62 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.58 2c1d n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c1d n GLY 215 N 3.38 1.51 3.91 0.00 0.00 0.57 -4.88 105.19 109.68 2c1d n GLY 215 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2c1d n GLY 215 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2c1d s ASN 216 N -1.97 6.13 -0.19 1.61 0.01 -0.65 0.75 114.94 120.62 2c1d s ASN 216 Ca 0.00 0.83 -0.18 0.00 -0.71 0.00 0.00 52.86 52.80 2c1d s ASN 216 Cb 0.00 -2.11 -0.03 0.00 0.41 0.00 0.00 41.25 39.52 2c1d s ASN 216 CO 0.00 -0.65 0.51 -0.04 -1.51 0.00 0.00 177.10 175.41 2c1d s MET 217 N -4.75 4.20 -0.38 -0.60 -1.94 -1.26 -0.99 119.30 113.58 2c1d s MET 217 Ca 0.48 0.40 -0.04 0.00 -1.71 0.00 0.00 55.69 54.82 2c1d s MET 217 Cb -0.10 -3.55 0.08 0.00 2.01 0.00 0.00 34.83 33.27 2c1d s MET 217 CO 0.44 -0.12 0.16 -1.50 -0.01 0.00 0.00 175.02 173.99 2c1d s ILE 218 N 1.55 3.48 0.00 2.53 2.07 -0.34 -4.97 121.20 125.52 2c1d s ILE 218 Ca 0.24 -1.67 0.00 0.00 -1.41 0.00 0.00 60.65 57.80 2c1d s ILE 218 Cb -0.15 -3.20 0.00 0.00 0.13 0.00 0.00 42.46 39.23 2c1d s ILE 218 CO 0.10 -0.47 0.00 -1.14 -1.91 0.00 0.00 174.94 171.51 2c1d n ARG 219 N 4.69 0.00 0.00 3.50 3.00 -1.26 -1.95 116.66 124.65 2c1d n ARG 219 Ca -0.07 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 57.92 2c1d n ARG 219 Cb 0.42 0.00 0.73 0.00 0.00 0.00 0.00 32.46 33.62 2c1d n ARG 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2c1d n ALA 220 N 9.12 2.59 -2.72 5.13 0.00 -1.26 -4.82 120.51 128.54 2c1d n ALA 220 Ca 0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 53.44 52.89 2c1d n ALA 220 Cb 0.00 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 17.94 2c1d n ALA 220 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2c1d s ASP 221 N -2.49 6.43 -0.46 0.00 1.01 -0.82 -5.05 116.67 115.28 2c1d s ASP 221 Ca 0.31 0.50 -0.26 0.00 0.71 0.00 0.00 52.55 53.81 2c1d s ASP 221 Cb 0.20 -2.16 0.03 0.00 1.01 0.00 0.00 42.92 42.00 2c1d s ASP 221 CO 0.46 0.15 0.94 -2.28 0.21 0.00 0.00 175.17 174.65 2c1d s HIS 222 N 0.22 2.92 0.09 4.23 5.65 -1.26 -1.20 115.29 125.94 2c1d s HIS 222 Ca 0.16 0.41 -0.31 0.00 0.25 0.00 0.00 55.06 55.57 2c1d s HIS 222 Cb -0.13 -3.99 -0.08 0.00 -1.18 0.00 0.00 32.58 27.20 2c1d s HIS 222 CO 0.04 -1.11 1.49 -0.51 -0.65 0.00 0.00 174.74 174.00 2c1d s LEU 223 N 3.79 4.36 0.00 8.88 1.43 -0.16 -4.92 118.68 132.06 2c1d s LEU 223 Ca 0.38 2.38 0.01 0.00 -1.03 0.00 0.00 54.13 55.87 2c1d s LEU 223 Cb -0.10 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.57 2c1d s LEU 223 CO 0.26 -0.75 0.20 -1.54 0.23 0.00 0.00 176.35 174.75 2c1d n SER 224 N 4.59 0.41 -0.08 2.29 3.41 -1.26 -0.32 113.62 122.66 2c1d n SER 224 Ca 0.13 -1.31 0.09 0.00 -0.26 0.00 0.00 58.87 57.52 2c1d n SER 224 Cb 0.41 -0.12 0.52 0.00 -0.26 0.00 0.00 64.21 64.77 2c1d n SER 224 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c1d n GLN 225 N -1.34 1.11 -3.41 4.33 6.02 -1.26 -4.46 117.38 118.38 2c1d n GLN 225 Ca 0.04 -0.16 -0.19 0.00 -0.01 0.00 0.00 57.00 56.68 2c1d n GLN 225 Cb 0.14 -1.31 0.08 0.00 1.02 0.00 0.00 30.24 30.17 2c1d n GLN 225 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2c1d n GLY 226 N 0.84 -0.36 3.87 1.08 0.00 -1.26 -4.80 105.19 104.56 2c1d n GLY 226 Ca 0.14 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 2c1d n GLY 226 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c1d s GLN 227 N -5.72 3.75 -0.04 1.61 -1.52 -1.26 -5.01 119.66 111.47 2c1d s GLN 227 Ca 0.27 0.58 0.08 0.00 -1.95 0.00 0.00 55.36 54.33 2c1d s GLN 227 Cb -0.12 -2.28 0.17 0.00 -0.22 0.00 0.00 33.01 30.56 2c1d s GLN 227 CO 0.67 -0.20 1.12 0.44 -0.25 0.00 0.00 175.29 177.07 2c1d n ILE 228 N -1.74 1.29 0.28 1.08 -5.35 -1.26 -4.68 119.36 108.98 2c1d n ILE 228 Ca 0.04 -1.33 0.17 0.00 -0.27 0.00 0.00 62.75 61.36 2c1d n ILE 228 Cb 0.54 0.29 0.85 0.00 -1.74 0.00 0.00 39.64 39.58 2c1d n ILE 228 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2c1d h ASN 229 N 0.60 0.00 -0.07 7.28 7.08 -1.90 -2.60 115.58 125.97 2c1d h ASN 229 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2c1d h ASN 229 Cb 0.73 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.97 2c1d h ASN 229 CO 0.02 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.98 2c1d n GLY 230 N -0.83 0.57 3.88 9.14 0.00 -1.26 -1.83 105.19 114.85 2c1d n GLY 230 Ca -0.01 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 2c1d n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2c1d s PHE 231 N -1.93 3.45 0.71 1.61 0.40 -0.98 -1.94 117.98 119.30 2c1d s PHE 231 Ca 0.34 0.92 -0.15 0.00 -0.60 0.00 0.00 56.93 57.44 2c1d s PHE 231 Cb 0.20 -2.33 0.03 0.00 0.51 0.00 0.00 43.02 41.43 2c1d s PHE 231 CO 0.31 0.05 1.16 -2.14 0.70 0.00 0.00 175.22 175.30 2c1d s PRO 232 N -3.53 2.38 -0.04 0.24 0.02 -1.25 -4.77 135.00 128.04 2c1d s PRO 232 Ca 0.49 1.58 0.03 0.00 0.02 0.00 0.00 61.00 63.12 2c1d s PRO 232 Cb -0.11 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.54 2c1d s PRO 232 CO 0.28 -1.61 -0.13 0.99 -0.33 0.00 0.00 177.00 176.20 2c1d s THR 233 N -2.18 1.08 -0.29 0.99 2.01 -0.75 -2.62 115.64 113.89 2c1d s THR 233 Ca 0.71 -0.51 -0.20 0.00 0.31 0.00 0.00 61.69 62.00 2c1d s THR 233 Cb -0.25 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 2c1d s THR 233 CO 0.44 0.33 0.60 -0.47 -0.69 0.00 0.00 174.62 174.83 2c1d s TYR 234 N 0.23 3.23 -0.26 4.92 6.14 -0.25 0.00 117.35 131.37 2c1d s TYR 234 Ca -0.05 0.60 -0.16 0.00 0.64 0.00 0.00 57.07 58.10 2c1d s TYR 234 Cb -0.11 -2.91 -0.04 0.00 0.42 0.00 0.00 41.96 39.33 2c1d s TYR 234 CO 0.02 -0.42 0.40 1.03 0.64 0.00 0.00 175.55 177.22 2c1d s ARG 235 N 2.51 4.06 0.41 4.97 0.52 -0.56 -1.46 118.95 129.40 2c1d s ARG 235 Ca 0.24 0.12 0.09 0.00 -0.52 0.00 0.00 55.73 55.65 2c1d s ARG 235 Cb -0.15 -3.63 0.89 0.00 0.52 0.00 0.00 34.95 32.58 2c1d s ARG 235 CO 0.11 -0.24 2.02 -0.07 0.02 0.00 0.00 175.30 177.14 2c1d h LEU 236 N 8.45 0.47 -1.06 2.53 3.38 -1.21 -0.72 115.31 127.15 2c1d h LEU 236 Ca -0.32 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 2c1d h LEU 236 Cb 1.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2c1d h LEU 236 CO 0.67 0.32 -0.30 0.07 0.09 0.00 0.00 178.44 179.29 2c1d h LYS 237 N 0.55 0.30 0.00 1.13 2.10 -1.83 -3.15 116.57 115.67 2c1d h LYS 237 Ca 0.21 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 2c1d h LYS 237 Cb 0.16 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 2c1d h LYS 237 CO -0.06 0.58 -1.29 -0.25 -2.00 0.00 0.00 179.45 176.43 2c1d n ASP 238 N -4.11 0.59 -3.34 7.07 8.00 -0.76 -4.98 116.55 119.01 2c1d n ASP 238 Ca -0.01 -0.46 -0.24 0.00 0.71 0.00 0.00 54.79 54.79 2c1d n ASP 238 Cb 0.41 1.22 0.05 0.00 -0.02 0.00 0.00 41.12 42.77 2c1d n ASP 238 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2c1d n SER 239 N -1.86 -5.94 -3.41 -2.24 7.64 -0.35 -4.97 113.62 102.48 2c1d n SER 239 Ca 0.01 -0.44 -0.06 0.00 1.01 0.00 0.00 58.87 59.39 2c1d n SER 239 Cb 0.43 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 58.89 2c1d n SER 239 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2c1d s GLY 240 N -2.99 0.09 0.45 0.23 0.00 -1.22 -5.01 107.32 98.88 2c1d s GLY 240 Ca 0.45 -0.41 -0.20 0.00 0.00 0.00 0.00 44.72 44.56 2c1d s GLY 240 CO 0.56 0.24 0.97 1.06 0.00 0.00 0.00 173.10 175.93 2c1d s MET 241 N -2.92 4.12 0.01 2.90 -1.94 -1.26 -1.50 119.30 118.71 2c1d s MET 241 Ca 0.15 1.13 0.02 0.00 -1.71 0.00 0.00 55.69 55.28 2c1d s MET 241 Cb -0.04 -2.16 -0.01 0.00 2.01 0.00 0.00 34.83 34.63 2c1d s MET 241 CO 0.08 -0.13 -0.06 0.08 -0.01 0.00 0.00 175.02 174.98 2c1d s VAL 242 N -2.22 0.43 0.34 -6.03 1.01 0.10 -4.91 120.40 109.12 2c1d s VAL 242 Ca 0.62 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.18 2c1d s VAL 242 Cb -0.10 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 2c1d s VAL 242 CO 0.17 -0.03 0.51 0.42 0.00 0.00 0.00 175.10 176.16 2c1d s THR 243 N -0.48 4.54 0.23 3.92 -4.23 -1.26 -1.80 115.64 116.56 2c1d s THR 243 Ca -0.02 -0.78 -0.08 0.00 -1.18 0.00 0.00 61.69 59.64 2c1d s THR 243 Cb -0.04 -3.62 0.21 0.00 1.34 0.00 0.00 72.50 70.39 2c1d s THR 243 CO -0.00 -0.32 1.89 0.00 -0.54 0.00 0.00 174.62 175.65 2c1d h ALA 244 N 0.82 1.14 -0.37 3.99 0.00 -1.96 -1.31 119.26 121.57 2c1d h ALA 244 Ca -0.48 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.37 2c1d h ALA 244 Cb 1.24 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2c1d h ALA 244 CO 0.57 0.59 0.17 1.96 0.00 0.00 0.00 179.25 182.54 2c1d h GLN 245 N 1.23 0.34 -0.60 0.00 1.08 -1.95 -1.15 115.11 114.05 2c1d h GLN 245 Ca 0.32 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.44 2c1d h GLN 245 Cb -0.08 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 2c1d h GLN 245 CO -0.06 0.22 0.14 1.25 -0.95 0.00 0.00 178.83 179.43 2c1d h HIS 246 N 0.35 0.99 -0.26 2.96 2.76 -1.87 -1.44 115.15 118.63 2c1d h HIS 246 Ca 0.16 -0.11 0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2c1d h HIS 246 Cb 0.09 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.75 2c1d h HIS 246 CO -0.11 0.82 0.14 -0.09 -1.30 0.00 0.00 177.93 177.39 2c1d h ARG 247 N 0.91 0.28 -0.38 5.26 9.65 -0.81 -2.84 114.38 126.45 2c1d h ARG 247 Ca 0.19 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.07 2c1d h ARG 247 Cb 0.34 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 2c1d h ARG 247 CO 0.00 0.19 0.23 0.74 2.80 0.00 0.00 179.97 183.93 2c1d h PHE 248 N 0.29 0.43 -0.71 2.20 0.05 -0.90 -2.19 116.94 116.12 2c1d h PHE 248 Ca 0.10 0.01 0.16 0.00 3.82 0.00 0.00 57.97 62.06 2c1d h PHE 248 Cb 0.01 -0.14 -0.12 0.00 2.00 0.00 0.00 35.95 37.70 2c1d h PHE 248 CO -0.08 0.25 0.05 0.28 -0.18 0.00 0.00 178.31 178.63 2c1d h VAL 249 N 0.46 0.43 0.00 -0.55 2.07 -1.04 -2.48 116.25 115.15 2c1d h VAL 249 Ca 0.15 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2c1d h VAL 249 Cb -0.00 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2c1d h VAL 249 CO -0.06 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.16 2c1d n GLY 250 N -1.38 1.04 0.00 2.17 0.00 -0.82 -2.10 105.19 104.09 2c1d n GLY 250 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2c1d n GLY 250 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2c1d n VAL 252 N 0.58 0.00 -0.29 1.61 0.31 -0.93 -1.57 118.33 118.03 2c1d n VAL 252 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 2c1d n VAL 252 Cb 0.24 0.00 0.23 0.00 -0.91 0.00 0.00 33.84 33.39 2c1d n VAL 252 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2c1d h ARG 253 N 0.00 0.59 0.00 5.55 2.43 -1.65 -1.78 114.38 119.51 2c1d h ARG 253 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2c1d h ARG 253 Cb 0.00 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 2c1d h ARG 253 CO 0.00 0.39 0.00 -0.25 -1.51 0.00 0.00 179.97 178.60 2c1d n ASP 254 N -4.88 0.00 -0.40 -3.80 8.00 -0.61 -1.45 116.55 113.40 2c1d n ASP 254 Ca 0.17 -0.85 0.02 0.00 0.71 0.00 0.00 54.79 54.85 2c1d n ASP 254 Cb 0.44 -0.02 0.07 0.00 -0.02 0.00 0.00 41.12 41.59 2c1d n ASP 254 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2c1d n THR 255 N -1.02 0.29 -3.52 -3.53 -2.24 -0.67 -4.89 114.28 98.70 2c1d n THR 255 Ca 0.21 -0.22 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 2c1d n THR 255 Cb 0.11 -0.05 0.06 0.00 -2.10 0.00 0.00 70.33 68.35 2c1d n THR 255 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2c1d n ARG 256 N -0.02 -3.63 -4.41 -0.78 1.74 -0.53 -1.38 116.66 107.64 2c1d n ARG 256 Ca 0.05 0.70 -0.22 0.00 -0.77 0.00 0.00 57.85 57.61 2c1d n ARG 256 Cb 0.21 -5.27 -0.10 0.00 -1.02 0.00 0.00 32.46 26.28 2c1d n ARG 256 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c1d s ALA 257 N -3.50 2.42 -0.07 7.54 0.00 -1.11 -1.31 121.76 125.75 2c1d s ALA 257 Ca 0.24 -1.77 -0.30 0.00 0.00 0.00 0.00 51.96 50.13 2c1d s ALA 257 Cb -0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 2c1d s ALA 257 CO 0.79 0.20 1.66 -2.00 0.00 0.00 0.00 175.76 176.41 2c1d s GLU 258 N -3.51 4.13 0.76 0.00 2.12 -1.26 -4.49 118.70 116.44 2c1d s GLU 258 Ca 0.26 2.14 -0.03 0.00 0.36 0.00 0.00 54.97 57.71 2c1d s GLU 258 Cb -0.03 -4.00 0.15 0.00 0.26 0.00 0.00 34.13 30.51 2c1d s GLU 258 CO 0.11 -0.91 1.04 -2.37 -0.54 0.00 0.00 175.26 172.59 2c1d n THR 259 N 5.60 0.00 -4.03 -1.70 5.66 -1.26 -4.86 114.28 113.69 2c1d n THR 259 Ca 0.18 -1.46 -0.22 0.00 -3.05 0.00 0.00 64.05 59.50 2c1d n THR 259 Cb 0.43 -0.99 -0.04 0.00 -1.55 0.00 0.00 70.33 68.18 2c1d n THR 259 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 2c1d s PHE 260 N -3.17 3.18 0.30 1.09 0.40 -1.26 -5.06 117.98 113.46 2c1d s PHE 260 Ca 0.67 -0.11 -0.28 0.00 -0.60 0.00 0.00 56.93 56.61 2c1d s PHE 260 Cb -0.03 -1.49 -0.09 0.00 0.51 0.00 0.00 43.02 41.91 2c1d s PHE 260 CO 0.45 0.46 1.07 0.15 0.70 0.00 0.00 175.22 178.04 2c1d s LYS 261 N -3.90 4.57 0.23 0.44 -0.14 -1.26 -4.76 119.74 114.92 2c1d s LYS 261 Ca 0.34 1.70 -0.31 0.00 -1.36 0.00 0.00 55.97 56.34 2c1d s LYS 261 Cb -0.08 -3.06 -0.11 0.00 -1.68 0.00 0.00 37.83 32.90 2c1d s LYS 261 CO 0.26 0.18 1.58 0.00 -0.76 0.00 0.00 175.35 176.61 2c1d s ALA 262 N -1.27 3.77 0.00 5.17 0.00 -1.26 -1.65 121.76 126.52 2c1d s ALA 262 Ca 0.47 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.90 2c1d s ALA 262 Cb -0.29 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.20 2c1d s ALA 262 CO 0.37 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2c1d n GLY 263 N 3.00 0.83 3.75 0.00 0.00 -1.26 -4.96 105.19 106.55 2c1d n GLY 263 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2c1d n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c1d s SER 264 N -2.77 4.58 0.24 1.61 1.04 -0.66 -4.75 113.70 112.99 2c1d s SER 264 Ca 0.00 2.02 -0.06 0.00 0.48 0.00 0.00 55.95 58.39 2c1d s SER 264 Cb 0.00 -2.55 0.32 0.00 0.10 0.00 0.00 66.02 63.89 2c1d s SER 264 CO 0.00 -1.99 1.85 0.44 0.98 0.00 0.00 173.24 174.52 2c1d h ASP 265 N -0.54 0.82 -0.64 7.02 3.45 -1.96 0.13 116.42 124.69 2c1d h ASP 265 Ca -0.46 0.02 -0.06 0.00 0.43 0.00 0.00 57.03 56.96 2c1d h ASP 265 Cb 1.25 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.84 2c1d h ASP 265 CO 0.51 0.53 0.16 0.44 -1.57 0.00 0.00 179.24 179.31 2c1d h ASP 266 N 0.95 0.98 1.37 6.45 5.19 -1.94 -1.24 116.42 128.18 2c1d h ASP 266 Ca 0.36 -0.20 -0.08 0.00 -0.62 0.00 0.00 57.03 56.50 2c1d h ASP 266 Cb 0.15 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 2c1d h ASP 266 CO -0.17 0.95 -0.37 -0.26 -3.12 0.00 0.00 179.24 176.27 2c1d h PHE 267 N 0.99 0.00 -0.38 4.55 0.05 -1.65 -0.15 116.94 120.36 2c1d h PHE 267 Ca 0.21 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.96 2c1d h PHE 267 Cb 0.35 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.28 2c1d h PHE 267 CO 0.03 0.37 0.08 0.87 -0.18 0.00 0.00 178.31 179.48 2c1d h LYS 268 N 0.00 0.61 -0.85 1.51 1.57 -0.43 -0.55 116.57 118.43 2c1d h LYS 268 Ca -0.00 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2c1d h LYS 268 Cb 1.16 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 2c1d h LYS 268 CO 0.05 0.65 0.44 0.00 -0.57 0.00 0.00 179.45 180.02 2c1d h ALA 269 N 0.93 1.09 -0.59 3.86 0.00 -0.99 -1.82 119.26 121.74 2c1d h ALA 269 Ca 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2c1d h ALA 269 Cb 0.32 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2c1d h ALA 269 CO 0.00 0.62 0.29 1.25 0.00 0.00 0.00 179.25 181.42 2c1d h LEU 270 N 1.19 0.75 -0.90 0.00 5.85 -0.84 -1.24 115.31 120.13 2c1d h LEU 270 Ca 0.30 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 2c1d h LEU 270 Cb 0.07 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2c1d h LEU 270 CO -0.04 0.66 0.24 -0.08 -0.34 0.00 0.00 178.44 178.88 2c1d h GLU 271 N 0.79 1.05 -0.17 1.25 4.81 -0.88 0.13 114.58 121.55 2c1d h GLU 271 Ca 0.20 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2c1d h GLU 271 Cb 0.09 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2c1d h GLU 271 CO -0.03 0.88 0.11 1.25 -0.73 0.00 0.00 179.01 180.49 2c1d h LEU 272 N 1.02 0.21 -0.09 1.64 5.85 -0.89 -0.14 115.31 122.91 2c1d h LEU 272 Ca 0.23 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2c1d h LEU 272 Cb 0.25 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 2c1d h LEU 272 CO -0.01 0.18 0.01 0.22 -0.34 0.00 0.00 178.44 178.50 2c1d h TYR 273 N 0.21 0.15 -0.47 1.25 3.20 -0.79 -2.64 116.97 117.89 2c1d h TYR 273 Ca 0.06 -0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.78 2c1d h TYR 273 Cb 0.01 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2c1d h TYR 273 CO -0.06 0.36 -0.21 0.28 -1.64 0.00 0.00 178.16 176.90 2c1d h VAL 274 N -0.10 1.27 -0.68 1.81 2.07 -0.72 -2.27 116.25 117.63 2c1d h VAL 274 Ca 0.03 -1.37 0.12 0.00 0.82 0.00 0.00 66.70 66.30 2c1d h VAL 274 Cb 0.29 1.13 -0.09 0.00 -1.52 0.00 0.00 31.29 31.10 2c1d h VAL 274 CO 0.00 0.47 0.25 0.00 0.02 0.00 0.00 177.57 178.31 2c1d h ALA 275 N 0.92 0.91 0.00 1.67 0.00 -1.00 -2.21 119.26 119.56 2c1d h ALA 275 Ca 0.11 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2c1d h ALA 275 Cb 0.78 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2c1d h ALA 275 CO 0.06 -0.22 -0.28 0.66 0.00 0.00 0.00 179.25 179.48 2c1d h SER 276 N 0.40 0.00 0.11 0.00 4.64 -1.03 -1.01 113.55 116.65 2c1d h SER 276 Ca 0.36 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2c1d h SER 276 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2c1d h SER 276 CO -0.38 0.28 -0.01 0.03 -0.87 0.00 0.00 176.83 175.88 2c1d h ARG 277 N 0.00 0.00 -0.71 4.77 3.08 -1.11 -1.97 114.38 118.44 2c1d h ARG 277 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2c1d h ARG 277 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2c1d h ARG 277 CO 0.04 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 2c1d n GLY 278 N -1.01 2.61 3.71 0.04 0.00 -0.39 -4.78 105.19 105.39 2c1d n GLY 278 Ca -0.03 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 2c1d n GLY 278 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2c1d n ASN 279 N 1.44 3.90 0.00 1.61 3.02 -0.74 -1.25 115.26 123.25 2c1d n ASN 279 Ca 0.25 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.87 2c1d n ASN 279 Cb 0.75 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 2c1d n ASN 279 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c1d n GLY 280 N 3.85 2.97 3.72 7.41 0.00 -0.57 -4.28 105.19 118.30 2c1d n GLY 280 Ca 0.16 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2c1d n GLY 280 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c1d s LEU 281 N 0.00 3.15 0.37 0.99 1.43 -0.38 -4.65 118.68 119.60 2c1d s LEU 281 Ca 0.00 2.18 -0.23 0.00 -1.03 0.00 0.00 54.13 55.04 2c1d s LEU 281 Cb 0.00 -4.57 -0.10 0.00 0.03 0.00 0.00 46.19 41.55 2c1d s LEU 281 CO 0.00 -2.37 0.94 -0.44 0.23 0.00 0.00 176.35 174.71 2c1d s SER 282 N -2.50 7.12 -0.05 2.29 0.01 -0.55 -0.44 113.70 119.58 2c1d s SER 282 Ca 0.69 1.74 -0.30 0.00 1.31 0.00 0.00 55.95 59.40 2c1d s SER 282 Cb -0.24 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.36 2c1d s SER 282 CO 0.50 -0.21 2.06 0.52 0.41 0.00 0.00 173.24 176.51 2c1d n VAL 283 N -0.06 0.63 0.25 3.43 0.31 0.10 -4.70 118.33 118.29 2c1d n VAL 283 Ca 0.04 -0.24 0.14 0.00 -0.01 0.00 0.00 64.34 64.27 2c1d n VAL 283 Cb 0.52 -2.39 0.45 0.00 -0.91 0.00 0.00 33.84 31.51 2c1d n VAL 283 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2c1d h GLU 284 N 12.02 0.00 0.00 5.55 5.08 -1.68 -0.56 114.58 134.99 2c1d h GLU 284 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2c1d h GLU 284 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2c1d h GLU 284 CO 0.95 0.04 0.00 0.41 -1.00 0.00 0.00 179.01 179.41 2c1d n GLY 285 N 0.49 0.84 2.80 -3.84 0.00 -1.26 -4.72 105.19 99.50 2c1d n GLY 285 Ca 0.02 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 2c1d n GLY 285 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c1d s VAL 286 N 0.00 0.58 0.50 1.61 -7.23 -1.26 -3.97 120.40 110.63 2c1d s VAL 286 Ca 0.00 -0.09 0.03 0.00 -1.81 0.00 0.00 61.98 60.11 2c1d s VAL 286 Cb 0.00 -0.75 0.02 0.00 0.56 0.00 0.00 36.38 36.22 2c1d s VAL 286 CO 0.00 0.23 0.70 -0.94 -0.31 0.00 0.00 175.10 174.78 2c1d s SER 287 N 1.88 5.47 -0.08 4.85 1.04 -0.82 -4.93 113.70 121.11 2c1d s SER 287 Ca 0.04 -0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.45 2c1d s SER 287 Cb -0.13 -0.95 0.00 0.00 0.10 0.00 0.00 66.02 65.04 2c1d s SER 287 CO -0.06 -0.96 -0.20 -0.69 0.98 0.00 0.00 173.24 172.30 2c1d s VAL 288 N -2.62 1.76 0.30 5.02 1.01 -1.26 -1.09 120.40 123.52 2c1d s VAL 288 Ca 0.55 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2c1d s VAL 288 Cb -0.10 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 2c1d s VAL 288 CO 0.37 0.49 0.30 -0.13 0.00 0.00 0.00 175.10 176.14 2c1d s ARG 289 N 0.39 1.67 0.00 2.72 1.81 -0.53 -4.89 118.95 120.12 2c1d s ARG 289 Ca -0.16 -1.85 0.30 0.00 -1.72 0.00 0.00 55.73 52.31 2c1d s ARG 289 Cb -0.17 0.35 1.81 0.00 -0.45 0.00 0.00 34.95 36.49 2c1d s ARG 289 CO 0.07 -0.63 2.14 0.72 -0.68 0.00 0.00 175.30 176.91