#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ymy s TYR 2 N 0.00 -0.13 0.04 1.12 -0.85 -0.76 -4.15 117.35 112.61 1ymy s TYR 2 Ca 0.00 -0.29 0.04 0.00 -0.52 0.00 0.00 57.07 56.29 1ymy s TYR 2 Cb 0.00 0.70 -0.02 0.00 0.38 0.00 0.00 41.96 43.02 1ymy s TYR 2 CO 0.00 -1.10 -0.11 0.00 -1.52 0.00 0.00 175.55 172.82 1ymy s ALA 3 N -3.45 0.91 -0.21 9.51 0.00 -0.15 0.52 121.76 128.88 1ymy s ALA 3 Ca 0.12 -0.74 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 1ymy s ALA 3 Cb -0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 1ymy s ALA 3 CO 0.06 0.14 0.14 -0.51 0.00 0.00 0.00 175.76 175.58 1ymy s LEU 4 N -1.17 4.16 0.27 0.00 1.43 0.50 0.07 118.68 123.94 1ymy s LEU 4 Ca -0.02 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1ymy s LEU 4 Cb -0.08 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1ymy s LEU 4 CO 0.01 0.14 0.27 0.42 0.23 0.00 0.00 176.35 177.43 1ymy s THR 5 N 0.58 0.00 -0.68 5.49 -4.23 -0.36 -1.80 115.64 114.64 1ymy s THR 5 Ca 0.08 -1.87 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 1ymy s THR 5 Cb -0.12 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.20 1ymy s THR 5 CO 0.00 0.00 0.58 0.00 -0.54 0.00 0.00 174.62 174.67 1ymy n GLN 6 N -0.45 -2.19 0.00 3.99 6.02 -1.26 -0.68 117.38 122.82 1ymy n GLN 6 Ca 0.03 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 1ymy n GLN 6 Cb 0.64 -4.31 0.00 0.00 1.02 0.00 0.00 30.24 27.59 1ymy n GLN 6 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ymy n GLY 7 N -1.26 1.55 3.72 1.08 0.00 -1.26 -0.48 105.19 108.54 1ymy n GLY 7 Ca -0.08 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1ymy n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ymy s ARG 8 N -2.00 4.25 -0.15 1.61 0.52 -1.22 -4.85 118.95 117.12 1ymy s ARG 8 Ca 0.00 2.26 0.00 0.00 -0.52 0.00 0.00 55.73 57.48 1ymy s ARG 8 Cb 0.00 -3.18 -0.00 0.00 0.52 0.00 0.00 34.95 32.28 1ymy s ARG 8 CO 0.00 -0.54 -0.16 0.96 0.02 0.00 0.00 175.30 175.58 1ymy s ILE 9 N 1.07 2.67 -0.29 1.52 -4.36 -1.00 -0.23 121.20 120.58 1ymy s ILE 9 Ca 0.68 -0.77 -0.14 0.00 -0.26 0.00 0.00 60.65 60.16 1ymy s ILE 9 Cb -0.41 -2.12 -0.04 0.00 1.25 0.00 0.00 42.46 41.14 1ymy s ILE 9 CO 0.31 0.52 0.31 0.12 0.24 0.00 0.00 174.94 176.44 1ymy s PHE 10 N 0.72 3.23 -0.25 1.37 2.19 0.29 -1.23 117.98 124.31 1ymy s PHE 10 Ca -0.07 0.23 0.20 0.00 0.33 0.00 0.00 56.93 57.62 1ymy s PHE 10 Cb -0.16 -2.53 0.06 0.00 -1.31 0.00 0.00 43.02 39.09 1ymy s PHE 10 CO 0.01 -0.25 1.19 1.79 1.83 0.00 0.00 175.22 179.80 1ymy h THR 11 N 5.41 0.23 0.00 0.12 1.35 -1.72 -3.37 112.91 114.93 1ymy h THR 11 Ca -0.32 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 1ymy h THR 11 Cb 1.17 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1ymy h THR 11 CO 0.62 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 1ymy n GLY 12 N 1.21 1.70 0.00 5.82 0.00 -1.26 -1.39 105.19 111.27 1ymy n GLY 12 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ymy n GLY 12 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ymy n HIS 13 N 0.00 0.00 -3.85 1.61 8.25 -1.26 -4.89 115.22 115.08 1ymy n HIS 13 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1ymy n HIS 13 Cb 0.00 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 1ymy n HIS 13 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1ymy s GLU 14 N -2.02 1.94 -0.18 -0.41 1.03 -1.26 -5.13 118.70 112.67 1ymy s GLU 14 Ca -0.01 -1.15 -0.10 0.00 0.03 0.00 0.00 54.97 53.75 1ymy s GLU 14 Cb 0.00 0.61 -0.05 0.00 -0.80 0.00 0.00 34.13 33.90 1ymy s GLU 14 CO 0.02 -0.89 0.16 -0.06 -1.33 0.00 0.00 175.26 173.16 1ymy s PHE 15 N -3.38 3.46 0.00 4.83 0.40 -1.26 -2.22 117.98 119.80 1ymy s PHE 15 Ca 0.13 0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.88 1ymy s PHE 15 Cb -0.06 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.29 1ymy s PHE 15 CO 0.09 0.37 0.02 -0.51 0.70 0.00 0.00 175.22 175.89 1ymy s LEU 16 N 0.11 3.61 -0.08 -0.37 1.43 -0.37 -4.96 118.68 118.05 1ymy s LEU 16 Ca 0.11 0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.15 1ymy s LEU 16 Cb -0.12 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1ymy s LEU 16 CO 0.00 0.27 -0.15 0.47 0.23 0.00 0.00 176.35 177.17 1ymy n ASP 17 N 1.31 0.90 -2.46 2.29 8.00 -1.26 -2.37 116.55 122.95 1ymy n ASP 17 Ca -0.14 0.19 -0.35 0.00 0.71 0.00 0.00 54.79 55.20 1ymy n ASP 17 Cb 0.53 -0.62 0.07 0.00 -0.02 0.00 0.00 41.12 41.07 1ymy n ASP 17 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ymy n ASP 18 N -3.41 7.60 -3.15 -2.24 10.43 -1.26 -4.56 116.55 119.97 1ymy n ASP 18 Ca -0.06 -3.76 -0.09 0.00 2.57 0.00 0.00 54.79 53.44 1ymy n ASP 18 Cb 0.23 -1.01 0.01 0.00 1.84 0.00 0.00 41.12 42.19 1ymy n ASP 18 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 1ymy n HIS 19 N -0.74 -1.76 -3.76 1.24 8.25 -1.26 -1.14 115.22 116.05 1ymy n HIS 19 Ca 0.59 -0.90 -0.11 0.00 -0.26 0.00 0.00 57.72 57.04 1ymy n HIS 19 Cb 0.55 -0.20 -0.07 0.00 1.12 0.00 0.00 29.99 31.39 1ymy n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ymy s ALA 20 N -2.30 -0.65 -0.23 -1.41 0.00 0.21 -4.45 121.76 112.93 1ymy s ALA 20 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1ymy s ALA 20 Cb -0.01 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.47 1ymy s ALA 20 CO 0.11 -0.42 -0.11 0.08 0.00 0.00 0.00 175.76 175.42 1ymy s VAL 21 N -2.62 2.49 -0.22 0.00 1.01 -0.75 -1.49 120.40 118.83 1ymy s VAL 21 Ca -0.04 -1.14 -0.14 0.00 0.00 0.00 0.00 61.98 60.66 1ymy s VAL 21 Cb -0.01 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1ymy s VAL 21 CO -0.04 0.24 0.32 0.54 0.00 0.00 0.00 175.10 176.17 1ymy s VAL 22 N 1.26 5.25 -0.06 2.92 0.11 -0.43 -0.37 120.40 129.09 1ymy s VAL 22 Ca -0.01 0.53 -0.02 0.00 -2.93 0.00 0.00 61.98 59.56 1ymy s VAL 22 Cb -0.16 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.00 1ymy s VAL 22 CO -0.07 0.28 0.05 -0.63 -3.33 0.00 0.00 175.10 171.40 1ymy s ILE 23 N 1.25 4.65 -0.29 7.04 1.01 0.18 -0.71 121.20 134.33 1ymy s ILE 23 Ca 0.15 -0.23 -0.13 0.00 0.00 0.00 0.00 60.65 60.44 1ymy s ILE 23 Cb -0.14 -3.03 0.11 0.00 0.01 0.00 0.00 42.46 39.42 1ymy s ILE 23 CO 0.07 0.52 0.70 0.00 0.00 0.00 0.00 174.94 176.23 1ymy s ALA 24 N -1.01 -2.04 -1.29 9.38 0.00 -0.13 -1.84 121.76 124.83 1ymy s ALA 24 Ca 0.17 2.35 -0.04 0.00 0.00 0.00 0.00 51.96 54.44 1ymy s ALA 24 Cb -0.12 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1ymy s ALA 24 CO 0.06 -0.70 0.53 -0.25 0.00 0.00 0.00 175.76 175.40 1ymy n ASP 25 N 4.92 -5.38 0.00 0.00 10.43 -1.26 -2.02 116.55 123.24 1ymy n ASP 25 Ca -0.15 -0.25 0.00 0.00 2.57 0.00 0.00 54.79 56.96 1ymy n ASP 25 Cb 0.53 -4.21 0.00 0.00 1.84 0.00 0.00 41.12 39.28 1ymy n ASP 25 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ymy n GLY 26 N -1.41 1.85 3.76 0.44 0.00 -1.25 -4.99 105.19 103.57 1ymy n GLY 26 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1ymy n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ymy s LEU 27 N 0.00 3.23 -0.47 0.99 1.43 -0.85 -0.95 118.68 122.06 1ymy s LEU 27 Ca 0.00 -0.87 -0.20 0.00 -1.03 0.00 0.00 54.13 52.03 1ymy s LEU 27 Cb 0.00 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.58 1ymy s LEU 27 CO 0.00 -0.43 0.63 -0.63 0.23 0.00 0.00 176.35 176.15 1ymy s ILE 28 N -2.49 4.85 0.11 -0.59 1.01 -0.79 -0.95 121.20 122.35 1ymy s ILE 28 Ca 0.40 -0.17 -0.20 0.00 0.00 0.00 0.00 60.65 60.68 1ymy s ILE 28 Cb -0.00 -4.25 -0.08 0.00 0.01 0.00 0.00 42.46 38.14 1ymy s ILE 28 CO 0.23 -0.70 1.74 0.50 0.00 0.00 0.00 174.94 176.72 1ymy h LYS 29 N 8.94 0.25 -1.14 2.79 3.64 -1.20 -1.24 116.57 128.60 1ymy h LYS 29 Ca -0.26 -0.02 0.32 0.00 -1.27 0.00 0.00 60.65 59.42 1ymy h LYS 29 Cb 1.10 -0.05 -0.19 0.00 -0.41 0.00 0.00 32.23 32.67 1ymy h LYS 29 CO 0.92 0.20 0.94 -1.54 -2.27 0.00 0.00 179.45 177.71 1ymy s SER 30 N -5.41 -0.04 -0.30 4.20 1.04 -1.20 -4.54 113.70 107.45 1ymy s SER 30 Ca -0.13 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.33 1ymy s SER 30 Cb 0.08 0.04 0.08 0.00 0.10 0.00 0.00 66.02 66.32 1ymy s SER 30 CO 0.69 -0.07 -0.03 0.54 0.98 0.00 0.00 173.24 175.35 1ymy s VAL 31 N -2.13 2.20 0.36 5.02 0.11 -1.26 -1.31 120.40 123.39 1ymy s VAL 31 Ca 0.12 -1.96 0.03 0.00 -2.93 0.00 0.00 61.98 57.24 1ymy s VAL 31 Cb 0.00 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 32.35 1ymy s VAL 31 CO -0.03 -0.30 0.10 0.00 -3.33 0.00 0.00 175.10 171.54 1ymy s PRO 33 N -3.82 2.79 0.45 0.00 0.02 -1.26 0.67 135.00 133.85 1ymy s PRO 33 Ca 0.31 1.67 0.11 0.00 0.02 0.00 0.00 61.00 63.11 1ymy s PRO 33 Cb 0.05 -1.92 1.02 0.00 0.02 0.00 0.00 34.50 33.67 1ymy s PRO 33 CO 0.15 -1.31 2.07 -0.24 -0.33 0.00 0.00 177.00 177.34 1ymy h VAL 34 N 0.45 1.08 0.87 3.83 3.04 -1.35 -2.66 116.25 121.50 1ymy h VAL 34 Ca -0.49 -0.24 -0.04 0.00 -1.01 0.00 0.00 66.70 64.92 1ymy h VAL 34 Cb 1.28 0.86 0.01 0.00 -2.01 0.00 0.00 31.29 31.43 1ymy h VAL 34 CO 0.54 0.09 -0.45 0.00 -1.01 0.00 0.00 177.57 176.74 1ymy h ALA 35 N 1.83 -1.22 0.00 3.17 0.00 -1.90 -2.16 119.26 118.98 1ymy h ALA 35 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ymy h ALA 35 Cb 0.06 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ymy h ALA 35 CO -0.01 -1.19 0.07 0.39 0.00 0.00 0.00 179.25 178.51 1ymy n GLU 36 N -5.61 0.00 -2.00 0.00 1.02 -1.01 -4.67 120.64 108.37 1ymy n GLU 36 Ca -0.15 0.21 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 1ymy n GLU 36 Cb 0.48 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 1ymy n GLU 36 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ymy s LEU 37 N -2.30 4.36 0.84 -4.62 1.43 -0.81 -4.97 118.68 112.60 1ymy s LEU 37 Ca 0.00 2.43 -0.12 0.00 -1.03 0.00 0.00 54.13 55.42 1ymy s LEU 37 Cb 0.00 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.75 1ymy s LEU 37 CO 0.00 -0.82 1.17 -2.16 0.23 0.00 0.00 176.35 174.76 1ymy s PRO 38 N 2.16 1.50 0.36 1.29 0.04 -1.26 -4.91 135.00 134.18 1ymy s PRO 38 Ca 0.71 1.61 0.19 0.00 0.04 0.00 0.00 61.00 63.55 1ymy s PRO 38 Cb -0.39 -1.78 0.53 0.00 0.04 0.00 0.00 34.50 32.91 1ymy s PRO 38 CO 0.31 -2.29 1.66 -1.00 0.04 0.00 0.00 177.00 175.72 1ymy h PRO 39 N -1.26 0.00 -0.44 0.56 0.13 -1.94 -3.31 132.00 125.73 1ymy h PRO 39 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ymy h PRO 39 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ymy h PRO 39 CO 0.45 0.36 0.00 -0.85 -0.23 0.00 0.00 178.00 177.73 1ymy n GLU 40 N -3.37 1.00 -4.49 0.86 0.28 -1.26 -4.89 120.64 108.77 1ymy n GLU 40 Ca 0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.68 1ymy n GLU 40 Cb 0.56 -1.22 -0.10 0.00 1.43 0.00 0.00 31.44 32.11 1ymy n GLU 40 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1ymy s ILE 41 N -1.55 3.76 0.26 3.84 -5.25 -1.25 -5.09 121.20 115.92 1ymy s ILE 41 Ca 0.00 -0.62 -0.30 0.00 -0.99 0.00 0.00 60.65 58.74 1ymy s ILE 41 Cb 0.00 -2.60 -0.10 0.00 2.95 0.00 0.00 42.46 42.70 1ymy s ILE 41 CO 0.00 0.47 1.45 -0.70 -1.79 0.00 0.00 174.94 174.38 1ymy s GLU 42 N -1.19 4.25 -0.21 0.37 2.12 -1.26 -4.89 118.70 117.89 1ymy s GLU 42 Ca 0.16 2.33 -0.01 0.00 0.36 0.00 0.00 54.97 57.80 1ymy s GLU 42 Cb -0.11 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.19 1ymy s GLU 42 CO 0.05 -0.44 -0.11 -1.14 -0.54 0.00 0.00 175.26 173.09 1ymy s GLN 43 N -0.44 3.11 -0.24 4.30 0.74 -1.26 -0.98 119.66 124.89 1ymy s GLN 43 Ca 0.59 -0.78 -0.07 0.00 0.05 0.00 0.00 55.36 55.15 1ymy s GLN 43 Cb -0.42 -2.83 -0.03 0.00 1.10 0.00 0.00 33.01 30.82 1ymy s GLN 43 CO 0.44 -0.25 0.06 1.03 -0.55 0.00 0.00 175.29 176.02 1ymy s ARG 44 N 1.37 3.66 0.25 1.67 0.52 0.11 -4.96 118.95 121.57 1ymy s ARG 44 Ca 0.04 -0.48 -0.30 0.00 -0.52 0.00 0.00 55.73 54.48 1ymy s ARG 44 Cb -0.14 -3.28 -0.09 0.00 0.52 0.00 0.00 34.95 31.95 1ymy s ARG 44 CO -0.07 -0.14 0.96 0.45 0.02 0.00 0.00 175.30 176.52 1ymy s SER 45 N 1.47 7.57 0.12 0.23 0.15 -1.26 -1.22 113.70 120.76 1ymy s SER 45 Ca 0.06 1.99 0.22 0.00 0.70 0.00 0.00 55.95 58.92 1ymy s SER 45 Cb -0.15 -2.61 -0.10 0.00 -1.71 0.00 0.00 66.02 61.45 1ymy s SER 45 CO 0.03 0.10 0.87 0.18 1.20 0.00 0.00 173.24 175.61 1ymy n LEU 46 N 1.37 0.56 -2.71 3.45 4.77 0.15 -4.89 117.00 119.70 1ymy n LEU 46 Ca -0.02 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 55.99 1ymy n LEU 46 Cb 0.47 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1ymy n LEU 46 CO 0.50 -0.11 0.17 0.59 -1.33 0.00 0.00 177.39 177.21 1ymy n ASN 47 N -2.48 -4.95 0.00 -1.43 4.13 -1.07 -2.91 115.26 106.55 1ymy n ASN 47 Ca -0.01 -0.39 0.00 0.00 1.68 0.00 0.00 54.58 55.86 1ymy n ASN 47 Cb 0.55 -3.74 0.00 0.00 -1.54 0.00 0.00 39.78 35.05 1ymy n ASN 47 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ymy n GLY 48 N -1.55 2.79 3.73 7.41 0.00 0.37 -5.01 105.19 112.93 1ymy n GLY 48 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1ymy n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ymy s ALA 49 N -2.04 2.40 0.18 4.61 0.00 -1.15 -4.15 121.76 121.61 1ymy s ALA 49 Ca 0.00 1.19 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 1ymy s ALA 49 Cb 0.00 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 1ymy s ALA 49 CO 0.00 -1.54 1.06 0.42 0.00 0.00 0.00 175.76 175.70 1ymy s ILE 50 N -1.43 4.00 -0.14 0.00 1.09 0.93 -3.38 121.20 122.27 1ymy s ILE 50 Ca 0.82 1.75 0.00 0.00 -1.10 0.00 0.00 60.65 62.12 1ymy s ILE 50 Cb -0.37 -4.12 -0.01 0.00 -1.06 0.00 0.00 42.46 36.91 1ymy s ILE 50 CO 0.39 0.31 -0.14 -0.22 -0.10 0.00 0.00 174.94 175.18 1ymy s LEU 51 N -0.44 2.62 0.18 2.97 1.98 0.68 -0.98 118.68 125.69 1ymy s LEU 51 Ca 0.48 -0.38 -0.08 0.00 -2.89 0.00 0.00 54.13 51.25 1ymy s LEU 51 Cb -0.28 -1.59 -0.01 0.00 0.66 0.00 0.00 46.19 44.97 1ymy s LEU 51 CO 0.34 0.14 0.29 -0.94 -1.89 0.00 0.00 176.35 174.28 1ymy s SER 52 N 0.51 0.05 0.65 3.68 1.04 0.34 0.11 113.70 120.08 1ymy s SER 52 Ca -0.09 -0.98 -0.17 0.00 0.48 0.00 0.00 55.95 55.19 1ymy s SER 52 Cb -0.16 0.45 -0.00 0.00 0.10 0.00 0.00 66.02 66.41 1ymy s SER 52 CO 0.04 -0.92 1.23 -2.16 0.98 0.00 0.00 173.24 172.41 1ymy s PRO 53 N -4.01 2.59 0.64 4.02 0.04 -1.26 -0.22 135.00 136.80 1ymy s PRO 53 Ca 0.22 1.86 -0.18 0.00 0.04 0.00 0.00 61.00 62.94 1ymy s PRO 53 Cb 0.03 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 1ymy s PRO 53 CO 0.04 -1.52 1.06 0.41 0.04 0.00 0.00 177.00 177.03 1ymy n GLY 54 N 0.55 -0.08 3.78 0.56 0.00 0.03 -4.41 105.19 105.62 1ymy n GLY 54 Ca 0.14 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1ymy n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ymy s PHE 55 N -1.53 3.16 -0.35 1.61 0.08 -0.78 -4.71 117.98 115.45 1ymy s PHE 55 Ca 0.78 1.61 -0.03 0.00 0.12 0.00 0.00 56.93 59.41 1ymy s PHE 55 Cb -0.39 -3.18 0.07 0.00 -0.57 0.00 0.00 43.02 38.95 1ymy s PHE 55 CO 0.45 -0.84 0.09 0.42 -0.10 0.00 0.00 175.22 175.24 1ymy s ILE 56 N -1.66 3.22 -0.53 0.64 1.01 0.09 -1.87 121.20 122.11 1ymy s ILE 56 Ca 0.60 -1.59 -0.19 0.00 0.00 0.00 0.00 60.65 59.46 1ymy s ILE 56 Cb -0.23 -2.98 0.07 0.00 0.01 0.00 0.00 42.46 39.33 1ymy s ILE 56 CO 0.28 -0.34 0.64 -0.62 0.00 0.00 0.00 174.94 174.91 1ymy s ASP 57 N 1.48 6.21 -0.06 3.58 3.68 -0.00 -4.79 116.67 126.77 1ymy s ASP 57 Ca 0.00 -1.07 0.07 0.00 2.13 0.00 0.00 52.55 53.69 1ymy s ASP 57 Cb -0.21 -2.29 0.31 0.00 -1.45 0.00 0.00 42.92 39.29 1ymy s ASP 57 CO -0.02 -0.95 1.11 1.33 0.13 0.00 0.00 175.17 176.77 1ymy n VAL 58 N 5.59 0.85 -3.27 1.11 0.24 -1.26 -1.78 118.33 119.80 1ymy n VAL 58 Ca -0.07 -0.51 -0.10 0.00 -2.04 0.00 0.00 64.34 61.61 1ymy n VAL 58 Cb 0.44 -0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.61 1ymy n VAL 58 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1ymy s GLN 59 N -1.67 0.75 -0.08 7.34 2.00 -1.26 -4.77 119.66 121.96 1ymy s GLN 59 Ca 0.22 -0.74 -0.01 0.00 -2.00 0.00 0.00 55.36 52.82 1ymy s GLN 59 Cb 0.15 -0.43 0.03 0.00 0.80 0.00 0.00 33.01 33.56 1ymy s GLN 59 CO 0.10 -1.22 -0.01 -1.17 -0.50 0.00 0.00 175.29 172.49 1ymy s LEU 60 N 1.45 0.68 -0.02 3.68 2.96 -1.21 -3.85 118.68 122.37 1ymy s LEU 60 Ca 0.18 -0.13 0.10 0.00 -0.22 0.00 0.00 54.13 54.07 1ymy s LEU 60 Cb -0.10 -0.50 -0.23 0.00 0.50 0.00 0.00 46.19 45.87 1ymy s LEU 60 CO -0.05 -0.19 0.77 0.78 -1.32 0.00 0.00 176.35 176.34 1ymy h ASN 61 N 8.31 0.03 0.00 3.68 2.35 -1.21 -1.74 115.58 127.00 1ymy h ASN 61 Ca -0.21 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1ymy h ASN 61 Cb 1.13 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1ymy h ASN 61 CO 0.28 1.05 0.00 0.61 -1.65 0.00 0.00 177.43 177.72 1ymy n GLY 62 N 1.54 1.49 3.53 2.83 0.00 -0.77 -2.83 105.19 110.98 1ymy n GLY 62 Ca -0.14 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 1ymy n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ymy n GLY 64 N -0.34 -0.39 2.42 0.00 0.00 -1.25 -3.08 105.19 102.54 1ymy n GLY 64 Ca -0.11 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1ymy n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ymy n GLY 65 N -1.55 0.65 3.15 -0.02 0.00 -1.20 -4.99 105.19 101.23 1ymy n GLY 65 Ca -0.12 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 1ymy n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ymy s VAL 66 N -2.77 0.10 0.08 1.61 -7.23 -1.18 -5.01 120.40 106.01 1ymy s VAL 66 Ca 0.00 -0.83 0.04 0.00 -1.81 0.00 0.00 61.98 59.38 1ymy s VAL 66 Cb 0.00 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.19 1ymy s VAL 66 CO 0.00 -0.46 -0.12 -1.10 -0.31 0.00 0.00 175.10 173.12 1ymy s GLN 67 N -2.07 0.81 -0.43 4.82 -0.21 -1.26 -1.79 119.66 119.54 1ymy s GLN 67 Ca -0.09 -1.04 -0.19 0.00 0.02 0.00 0.00 55.36 54.06 1ymy s GLN 67 Cb -0.04 -0.64 0.02 0.00 1.00 0.00 0.00 33.01 33.35 1ymy s GLN 67 CO -0.01 0.12 0.54 0.12 -2.12 0.00 0.00 175.29 173.93 1ymy s PHE 68 N -1.87 3.12 0.00 0.91 5.36 -1.13 -4.75 117.98 119.62 1ymy s PHE 68 Ca 0.01 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 1ymy s PHE 68 Cb -0.06 -3.11 0.00 0.00 -0.34 0.00 0.00 43.02 39.51 1ymy s PHE 68 CO 0.01 -0.77 0.00 0.00 -1.46 0.00 0.00 175.22 173.00 1ymy n ALA 74 N 5.91 0.00 -1.97 11.12 0.00 -1.26 -4.88 120.51 129.43 1ymy n ALA 74 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 1ymy n ALA 74 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 1ymy n ALA 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ymy s VAL 75 N 0.00 3.44 0.27 0.00 0.11 -1.26 -4.44 120.40 118.52 1ymy s VAL 75 Ca 0.00 -0.74 0.03 0.00 -2.93 0.00 0.00 61.98 58.34 1ymy s VAL 75 Cb 0.00 -4.45 -0.04 0.00 -1.53 0.00 0.00 36.38 30.36 1ymy s VAL 75 CO 0.00 -0.79 0.20 -0.94 -3.33 0.00 0.00 175.10 170.24 1ymy s SER 76 N 6.93 1.01 0.36 3.54 1.04 -1.26 -4.83 113.70 120.49 1ymy s SER 76 Ca 0.71 -1.58 0.19 0.00 0.48 0.00 0.00 55.95 55.75 1ymy s SER 76 Cb -0.02 0.46 0.47 0.00 0.10 0.00 0.00 66.02 67.04 1ymy s SER 76 CO 0.14 -0.95 1.63 -0.37 0.98 0.00 0.00 173.24 174.67 1ymy h VAL 77 N 2.35 0.72 -0.53 5.02 -1.51 -1.86 -3.00 116.25 117.44 1ymy h VAL 77 Ca -0.31 -1.67 -0.11 0.00 -1.23 0.00 0.00 66.70 63.38 1ymy h VAL 77 Cb 1.24 2.10 -0.02 0.00 -2.13 0.00 0.00 31.29 32.48 1ymy h VAL 77 CO 0.45 0.36 -0.10 -0.08 -1.23 0.00 0.00 177.57 176.97 1ymy h GLU 78 N 0.00 0.98 -0.40 5.19 4.81 -1.97 0.17 114.58 123.36 1ymy h GLU 78 Ca -0.00 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 1ymy h GLU 78 Cb 1.07 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1ymy h GLU 78 CO 0.05 1.03 0.21 1.15 -0.73 0.00 0.00 179.01 180.71 1ymy h THR 79 N 0.88 1.16 -0.95 0.32 2.02 -1.76 -0.00 112.91 114.58 1ymy h THR 79 Ca 0.14 -0.43 0.06 0.00 0.77 0.00 0.00 66.41 66.95 1ymy h THR 79 Cb 0.65 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.71 1ymy h THR 79 CO 0.05 0.17 0.62 -0.07 0.37 0.00 0.00 175.52 176.65 1ymy h LEU 80 N 0.51 0.97 0.00 2.58 4.07 -1.31 -0.22 115.31 121.92 1ymy h LEU 80 Ca 0.14 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.08 1ymy h LEU 80 Cb 0.08 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.62 1ymy h LEU 80 CO -0.02 0.62 -0.28 1.05 -1.08 0.00 0.00 178.44 178.73 1ymy h GLU 81 N 1.10 0.00 -0.09 1.13 4.11 -0.47 -2.64 114.58 117.73 1ymy h GLU 81 Ca 0.41 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.68 1ymy h GLU 81 Cb 0.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.44 1ymy h GLU 81 CO -0.16 0.12 -0.58 0.82 0.07 0.00 0.00 179.01 179.28 1ymy h ILE 82 N 0.00 1.36 -0.78 -1.06 2.04 -0.22 -2.54 117.51 116.30 1ymy h ILE 82 Ca -0.01 -1.91 0.02 0.00 1.00 0.00 0.00 64.86 63.96 1ymy h ILE 82 Cb 1.11 2.24 -0.04 0.00 -0.74 0.00 0.00 36.82 39.39 1ymy h ILE 82 CO 0.02 0.58 0.51 0.24 0.00 0.00 0.00 178.15 179.49 1ymy h MET 83 N 0.15 0.99 0.14 2.37 2.86 -1.11 -1.71 114.93 118.62 1ymy h MET 83 Ca -0.05 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1ymy h MET 83 Cb 1.24 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 1ymy h MET 83 CO 0.12 0.66 -0.14 0.37 1.06 0.00 0.00 176.91 178.98 1ymy h GLN 84 N 1.02 -0.30 -0.74 1.72 5.75 -1.44 -0.17 115.11 120.96 1ymy h GLN 84 Ca 0.30 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.87 1ymy h GLN 84 Cb -0.07 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.50 1ymy h GLN 84 CO -0.08 -0.20 0.49 0.87 -2.65 0.00 0.00 178.83 177.26 1ymy h LYS 85 N -0.31 0.78 0.17 1.69 1.57 -1.19 -2.19 116.57 117.09 1ymy h LYS 85 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1ymy h LYS 85 Cb 0.29 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1ymy h LYS 85 CO -0.04 0.52 -0.08 0.00 -0.57 0.00 0.00 179.45 179.28 1ymy h ALA 86 N 1.59 -0.23 -0.86 3.86 0.00 -0.87 -3.12 119.26 119.64 1ymy h ALA 86 Ca 0.31 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.23 1ymy h ALA 86 Cb 0.21 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1ymy h ALA 86 CO -0.10 -0.45 0.57 -0.91 0.00 0.00 0.00 179.25 178.35 1ymy h ASN 87 N -0.57 0.43 -0.62 0.00 2.35 -0.65 -1.64 115.58 114.86 1ymy h ASN 87 Ca -0.02 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1ymy h ASN 87 Cb 0.43 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1ymy h ASN 87 CO 0.04 0.19 0.27 -0.33 -1.65 0.00 0.00 177.43 175.95 1ymy h GLU 88 N 0.44 0.95 0.00 0.81 5.08 -1.22 -0.89 114.58 119.75 1ymy h GLU 88 Ca 0.44 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1ymy h GLU 88 Cb 1.02 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1ymy h GLU 88 CO -0.16 0.77 0.00 1.63 -1.00 0.00 0.00 179.01 180.24 1ymy n LYS 89 N -4.31 0.00 -0.77 2.33 5.02 -0.62 -1.63 118.16 118.17 1ymy n LYS 89 Ca 0.06 0.46 0.06 0.00 -2.02 0.00 0.00 58.31 56.86 1ymy n LYS 89 Cb 0.16 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.80 1ymy n LYS 89 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ymy n SER 90 N -1.50 1.46 0.00 4.39 3.41 -0.80 -4.86 113.62 115.73 1ymy n SER 90 Ca 0.01 -3.09 0.00 0.00 -0.26 0.00 0.00 58.87 55.52 1ymy n SER 90 Cb 0.03 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1ymy n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ymy n GLY 91 N -0.62 1.82 3.56 5.00 0.00 -0.65 -3.53 105.19 110.77 1ymy n GLY 91 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1ymy n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ymy n THR 93 N 6.13 0.04 -3.94 0.00 -2.24 -0.78 -2.77 114.28 110.72 1ymy n THR 93 Ca 0.04 -0.23 -0.10 0.00 -2.27 0.00 0.00 64.05 61.49 1ymy n THR 93 Cb 0.48 0.47 -0.12 0.00 -2.10 0.00 0.00 70.33 69.06 1ymy n THR 93 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1ymy s ASN 94 N -3.73 0.14 0.35 3.42 -0.87 -1.03 -4.51 114.94 108.71 1ymy s ASN 94 Ca 0.02 -0.31 -0.16 0.00 -1.57 0.00 0.00 52.86 50.84 1ymy s ASN 94 Cb 0.15 0.08 0.04 0.00 -0.02 0.00 0.00 41.25 41.50 1ymy s ASN 94 CO 0.87 -0.21 0.74 -0.72 -2.57 0.00 0.00 177.10 175.20 1ymy s TYR 95 N -0.98 0.11 -0.23 2.20 1.13 -1.21 -0.82 117.35 117.55 1ymy s TYR 95 Ca -0.11 -0.68 0.01 0.00 -1.41 0.00 0.00 57.07 54.88 1ymy s TYR 95 Cb -0.07 0.71 0.06 0.00 -1.10 0.00 0.00 41.96 41.57 1ymy s TYR 95 CO -0.00 -1.43 -0.05 -0.51 -2.51 0.00 0.00 175.55 171.05 1ymy s LEU 96 N -3.04 2.51 0.22 -3.49 1.02 -0.73 -1.22 118.68 113.95 1ymy s LEU 96 Ca 0.16 -1.15 -0.30 0.00 0.02 0.00 0.00 54.13 52.85 1ymy s LEU 96 Cb -0.05 -1.16 -0.09 0.00 0.02 0.00 0.00 46.19 44.91 1ymy s LEU 96 CO 0.11 -0.24 1.35 -2.16 0.02 0.00 0.00 176.35 175.43 1ymy s PRO 97 N 1.41 4.35 -0.12 1.29 0.04 -1.23 -3.35 135.00 137.39 1ymy s PRO 97 Ca -0.06 2.14 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 1ymy s PRO 97 Cb -0.19 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 1ymy s PRO 97 CO -0.06 -0.30 0.26 0.99 0.04 0.00 0.00 177.00 177.92 1ymy s THR 98 N -0.00 5.31 -0.31 1.26 2.01 -0.66 -1.31 115.64 121.95 1ymy s THR 98 Ca 0.57 0.48 0.03 0.00 0.31 0.00 0.00 61.69 63.08 1ymy s THR 98 Cb -0.38 -3.57 0.09 0.00 0.01 0.00 0.00 72.50 68.64 1ymy s THR 98 CO 0.41 0.49 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.61 1ymy s LEU 99 N -0.25 4.07 -0.32 4.42 0.20 -0.13 -4.59 118.68 122.08 1ymy s LEU 99 Ca 0.17 -1.83 -0.19 0.00 0.69 0.00 0.00 54.13 52.96 1ymy s LEU 99 Cb -0.13 -1.53 -0.01 0.00 -0.43 0.00 0.00 46.19 44.09 1ymy s LEU 99 CO 0.05 -0.32 0.59 -0.63 -0.29 0.00 0.00 176.35 175.76 1ymy s ILE 100 N 1.04 4.96 -0.29 6.68 -1.09 -1.26 -2.10 121.20 129.13 1ymy s ILE 100 Ca 0.04 0.70 -0.38 0.00 -2.23 0.00 0.00 60.65 58.77 1ymy s ILE 100 Cb -0.19 -3.98 0.16 0.00 -1.58 0.00 0.00 42.46 36.87 1ymy s ILE 100 CO -0.08 -0.16 1.39 0.28 -1.23 0.00 0.00 174.94 175.14 1ymy s THR 101 N 2.54 0.00 0.00 2.92 -1.32 -1.16 -5.00 115.64 113.62 1ymy s THR 101 Ca 0.23 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.71 1ymy s THR 101 Cb -0.15 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 1ymy s THR 101 CO 0.12 0.00 0.33 0.35 -2.21 0.00 0.00 174.62 173.22 1ymy n THR 102 N 0.02 0.00 -2.15 5.08 -2.24 -1.26 -4.17 114.28 109.56 1ymy n THR 102 Ca 0.05 -0.42 -0.39 0.00 -2.27 0.00 0.00 64.05 61.02 1ymy n THR 102 Cb 0.56 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.89 1ymy n THR 102 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ymy s SER 103 N -0.18 5.47 0.59 3.42 0.01 -1.26 -4.81 113.70 116.94 1ymy s SER 103 Ca 0.00 0.18 0.29 0.00 1.31 0.00 0.00 55.95 57.73 1ymy s SER 103 Cb 0.00 -2.54 1.41 0.00 0.21 0.00 0.00 66.02 65.11 1ymy s SER 103 CO 0.00 -2.25 1.82 0.44 0.41 0.00 0.00 173.24 173.65 1ymy h ASP 104 N 13.88 0.00 -0.11 2.44 3.32 -2.00 0.34 116.42 134.29 1ymy h ASP 104 Ca -0.26 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.69 1ymy h ASP 104 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1ymy h ASP 104 CO 1.23 0.00 -0.28 -0.33 -1.72 0.00 0.00 179.24 178.13 1ymy h GLU 105 N 0.00 0.39 -0.36 3.56 3.07 -2.00 -2.72 114.58 116.52 1ymy h GLU 105 Ca 0.26 -0.27 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 1ymy h GLU 105 Cb 1.43 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.36 1ymy h GLU 105 CO -0.00 0.88 0.02 1.25 -1.40 0.00 0.00 179.01 179.76 1ymy h LEU 106 N -0.04 0.51 -0.23 1.33 6.46 -0.77 -2.38 115.31 120.20 1ymy h LEU 106 Ca -0.00 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1ymy h LEU 106 Cb 0.89 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 1ymy h LEU 106 CO 0.06 0.57 0.10 0.24 -0.62 0.00 0.00 178.44 178.79 1ymy h MET 107 N 0.53 0.33 -0.62 1.25 2.86 -1.24 0.43 114.93 118.46 1ymy h MET 107 Ca 0.12 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1ymy h MET 107 Cb 0.31 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 1ymy h MET 107 CO 0.01 0.36 0.39 0.87 1.06 0.00 0.00 176.91 179.60 1ymy h LYS 108 N 0.22 0.74 -0.65 1.72 1.57 -1.13 0.20 116.57 119.24 1ymy h LYS 108 Ca 0.08 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1ymy h LYS 108 Cb 0.15 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1ymy h LYS 108 CO -0.01 0.49 0.22 0.37 -0.57 0.00 0.00 179.45 179.95 1ymy h GLN 109 N 0.76 1.00 0.60 3.15 4.15 -1.28 0.52 115.11 124.02 1ymy h GLN 109 Ca 0.25 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 1ymy h GLN 109 Cb 0.01 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.55 1ymy h GLN 109 CO -0.10 0.86 -0.35 0.78 -1.93 0.00 0.00 178.83 178.10 1ymy h GLY 110 N 0.94 -0.95 0.29 2.39 0.00 0.04 0.50 103.07 106.27 1ymy h GLY 110 Ca 0.21 0.38 0.13 0.00 0.00 0.00 0.00 47.33 48.06 1ymy h GLY 110 CO -0.01 -0.34 0.40 -2.08 0.00 0.00 0.00 176.54 174.51 1ymy h VAL 111 N -0.89 0.76 -0.02 4.60 2.07 -0.48 0.96 116.25 123.24 1ymy h VAL 111 Ca -0.08 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1ymy h VAL 111 Cb 0.71 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1ymy h VAL 111 CO 0.09 0.11 0.00 -0.09 0.02 0.00 0.00 177.57 177.71 1ymy h ARG 112 N 0.61 0.04 -0.33 1.57 2.43 -0.50 -2.37 114.38 115.82 1ymy h ARG 112 Ca 0.43 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.61 1ymy h ARG 112 Cb 0.56 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1ymy h ARG 112 CO -0.34 0.29 0.15 0.28 -1.51 0.00 0.00 179.97 178.84 1ymy h VAL 113 N -0.21 0.96 -0.65 0.20 2.07 0.96 -1.79 116.25 117.79 1ymy h VAL 113 Ca 0.01 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1ymy h VAL 113 Cb 0.27 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1ymy h VAL 113 CO 0.00 0.06 0.37 -0.03 0.02 0.00 0.00 177.57 177.98 1ymy h MET 114 N 0.31 0.67 -0.71 1.57 1.85 -0.85 -0.31 114.93 117.47 1ymy h MET 114 Ca 0.14 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.22 1ymy h MET 114 Cb 0.07 -0.15 -0.04 0.00 0.43 0.00 0.00 31.60 31.91 1ymy h MET 114 CO -0.11 0.44 0.45 -0.09 -0.40 0.00 0.00 176.91 177.20 1ymy h ARG 115 N 0.69 0.86 -0.71 0.39 2.43 -0.98 0.19 114.38 117.24 1ymy h ARG 115 Ca 0.29 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 1ymy h ARG 115 Cb 0.15 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1ymy h ARG 115 CO -0.17 0.57 0.20 0.93 -1.51 0.00 0.00 179.97 179.99 1ymy h GLU 116 N 0.89 1.12 -0.26 0.20 4.39 -0.49 -2.94 114.58 117.49 1ymy h GLU 116 Ca 0.28 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1ymy h GLU 116 Cb -0.01 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1ymy h GLU 116 CO -0.10 0.98 -0.05 -0.92 -1.16 0.00 0.00 179.01 177.76 1ymy h TYR 117 N 1.06 0.56 -0.69 4.33 5.03 -0.47 -2.99 116.97 123.80 1ymy h TYR 117 Ca 0.23 -0.11 0.15 0.00 2.58 0.00 0.00 58.73 61.57 1ymy h TYR 117 Cb 0.34 -0.14 -0.04 0.00 1.55 0.00 0.00 36.73 38.44 1ymy h TYR 117 CO 0.03 0.69 0.47 -0.07 -1.32 0.00 0.00 178.16 177.96 1ymy h LEU 118 N 0.26 0.30 -0.30 2.82 4.07 -0.52 0.35 115.31 122.28 1ymy h LEU 118 Ca 0.07 0.02 -0.20 0.00 0.08 0.00 0.00 57.88 57.84 1ymy h LEU 118 Cb 0.50 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1ymy h LEU 118 CO 0.02 0.16 -0.78 0.00 -1.08 0.00 0.00 178.44 176.77 1ymy h ALA 119 N 1.67 0.48 0.21 1.53 0.00 -1.39 -3.33 119.26 118.42 1ymy h ALA 119 Ca 0.34 -0.62 -0.28 0.00 0.00 0.00 0.00 54.91 54.35 1ymy h ALA 119 Cb 0.86 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.64 1ymy h ALA 119 CO -0.09 0.74 -1.24 0.87 0.00 0.00 0.00 179.25 179.53 1ymy h LYS 120 N 0.35 0.44 -3.31 0.00 1.57 -0.99 -3.43 116.57 111.20 1ymy h LYS 120 Ca -0.04 -0.75 -0.63 0.00 -1.87 0.00 0.00 60.65 57.35 1ymy h LYS 120 Cb 1.37 0.28 -0.41 0.00 0.08 0.00 0.00 32.23 33.56 1ymy h LYS 120 CO 0.14 1.36 -0.65 -1.01 -0.57 0.00 0.00 179.45 178.72 1ymy s HIS 121 N -2.53 2.96 0.49 -1.35 3.76 0.11 -5.11 115.29 113.61 1ymy s HIS 121 Ca -0.11 -3.04 -0.21 0.00 -0.15 0.00 0.00 55.06 51.55 1ymy s HIS 121 Cb 0.03 -2.65 -0.07 0.00 1.11 0.00 0.00 32.58 31.00 1ymy s HIS 121 CO 0.90 -0.75 1.12 -1.25 -0.85 0.00 0.00 174.74 173.91 1ymy s PRO 122 N -0.18 3.64 -1.37 8.40 0.04 -1.26 -4.07 135.00 140.20 1ymy s PRO 122 Ca 0.17 1.63 -0.03 0.00 0.04 0.00 0.00 61.00 62.81 1ymy s PRO 122 Cb -0.26 -2.21 0.02 0.00 0.04 0.00 0.00 34.50 32.09 1ymy s PRO 122 CO -0.00 -0.62 0.70 0.09 0.04 0.00 0.00 177.00 177.21 1ymy n ASN 123 N -0.84 -1.69 0.00 6.66 3.02 -1.26 -4.92 115.26 116.23 1ymy n ASN 123 Ca 0.09 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1ymy n ASN 123 Cb 0.50 -3.83 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 1ymy n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ymy n GLN 124 N -4.37 0.00 -1.94 3.52 6.02 -1.26 -4.84 117.38 114.52 1ymy n GLN 124 Ca -0.24 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.33 1ymy n GLN 124 Cb 0.65 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.88 1ymy n GLN 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ymy s ALA 125 N -2.00 3.24 0.15 -1.58 0.00 -1.26 -3.29 121.76 117.02 1ymy s ALA 125 Ca 0.00 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.67 1ymy s ALA 125 Cb 0.00 -3.89 -0.06 0.00 0.00 0.00 0.00 23.12 19.17 1ymy s ALA 125 CO 0.00 -2.01 1.34 -0.07 0.00 0.00 0.00 175.76 175.02 1ymy h LEU 126 N 12.05 0.29 0.00 0.00 3.38 -1.55 -3.47 115.31 126.01 1ymy h LEU 126 Ca -0.38 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1ymy h LEU 126 Cb 1.18 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1ymy h LEU 126 CO 0.98 1.07 0.00 0.61 0.09 0.00 0.00 178.44 181.19 1ymy n GLY 127 N 0.99 -0.35 3.82 0.83 0.00 -1.26 -4.91 105.19 104.31 1ymy n GLY 127 Ca -0.04 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 1ymy n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ymy s LEU 128 N 0.00 3.91 -0.30 0.99 1.43 0.13 -3.54 118.68 121.31 1ymy s LEU 128 Ca 0.00 1.67 0.02 0.00 -1.03 0.00 0.00 54.13 54.79 1ymy s LEU 128 Cb 0.00 -4.53 0.09 0.00 0.03 0.00 0.00 46.19 41.78 1ymy s LEU 128 CO 0.00 -0.38 0.03 -2.28 0.23 0.00 0.00 176.35 173.95 1ymy s HIS 129 N -2.22 2.73 -0.31 0.29 5.65 -0.42 -0.70 115.29 120.31 1ymy s HIS 129 Ca 0.62 -2.24 -0.21 0.00 0.25 0.00 0.00 55.06 53.47 1ymy s HIS 129 Cb -0.09 -2.15 -0.00 0.00 -1.18 0.00 0.00 32.58 29.16 1ymy s HIS 129 CO 0.15 -0.88 0.69 -0.51 -0.65 0.00 0.00 174.74 173.54 1ymy s LEU 130 N 1.27 4.13 -0.18 8.88 1.43 0.25 -0.96 118.68 133.51 1ymy s LEU 130 Ca 0.05 0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 53.60 1ymy s LEU 130 Cb -0.18 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 1ymy s LEU 130 CO -0.13 -0.54 -0.02 -0.70 0.23 0.00 0.00 176.35 175.19 1ymy s GLU 131 N 2.75 3.66 0.00 1.70 2.12 -0.89 -0.54 118.70 127.50 1ymy s GLU 131 Ca 0.28 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1ymy s GLU 131 Cb -0.15 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.25 1ymy s GLU 131 CO 0.12 0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.40 1ymy n GLY 132 N 3.83 0.49 0.14 -1.50 0.00 -1.18 -2.99 105.19 103.96 1ymy n GLY 132 Ca -0.17 -1.85 -0.22 0.00 0.00 0.00 0.00 46.02 43.78 1ymy n GLY 132 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ymy h PRO 133 N 0.00 0.44 -3.52 1.61 0.13 -1.86 -3.45 132.00 125.36 1ymy h PRO 133 Ca 0.00 -0.69 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1ymy h PRO 133 Cb 0.00 0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1ymy h PRO 133 CO 0.00 1.32 0.47 0.91 -0.23 0.00 0.00 178.00 180.47 1ymy n TRP 134 N -3.95 0.00 -3.15 1.56 8.01 -1.26 -4.77 117.44 113.87 1ymy n TRP 134 Ca -0.14 -0.16 0.00 0.00 -1.31 0.00 0.00 57.50 55.88 1ymy n TRP 134 Cb 0.92 -0.39 0.00 0.00 -2.01 0.00 0.00 31.31 29.84 1ymy n TRP 134 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 1ymy n LEU 135 N 3.27 0.00 -3.01 -0.99 4.77 -1.26 -0.02 117.00 119.75 1ymy n LEU 135 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1ymy n LEU 135 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1ymy n LEU 135 CO 0.24 -0.32 -0.09 -3.20 -1.33 0.00 0.00 177.39 172.68 1ymy n ASN 136 N -2.17 -1.17 0.00 -1.43 4.05 -1.10 -4.80 115.26 108.63 1ymy n ASN 136 Ca 0.00 -2.92 0.00 0.00 0.45 0.00 0.00 54.58 52.11 1ymy n ASN 136 Cb 0.00 0.40 0.00 0.00 1.23 0.00 0.00 39.78 41.41 1ymy n ASN 136 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1ymy n LEU 137 N 1.61 0.00 -0.04 1.20 7.99 -1.26 -4.75 117.00 121.76 1ymy n LEU 137 Ca 0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 56.13 1ymy n LEU 137 Cb 0.57 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.82 1ymy n LEU 137 CO 0.12 0.00 -0.75 0.00 -1.51 0.00 0.00 177.39 175.24 1ymy n ALA 153 N -1.33 1.82 -0.04 -1.18 0.00 -1.26 -5.25 120.51 113.27 1ymy n ALA 153 Ca 0.00 -0.52 -0.16 0.00 0.00 0.00 0.00 53.44 52.76 1ymy n ALA 153 Cb 0.17 0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 1ymy n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ymy h ALA 154 N 0.40 0.27 0.71 0.00 0.00 -2.05 -3.06 119.26 115.53 1ymy h ALA 154 Ca -0.21 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 1ymy h ALA 154 Cb 1.46 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1ymy h ALA 154 CO 0.01 0.48 -0.47 1.25 0.00 0.00 0.00 179.25 180.52 1ymy h LEU 155 N 0.30 -1.22 -0.48 0.00 7.12 -2.04 -1.04 115.31 117.96 1ymy h LEU 155 Ca -0.03 0.07 0.09 0.00 0.13 0.00 0.00 57.88 58.15 1ymy h LEU 155 Cb 1.17 0.37 -0.10 0.00 -0.53 0.00 0.00 40.66 41.57 1ymy h LEU 155 CO 0.11 -0.71 -0.36 0.58 -0.13 0.00 0.00 178.44 177.93 1ymy h VAL 156 N -1.12 0.17 -0.83 1.05 2.07 -1.99 0.19 116.25 115.78 1ymy h VAL 156 Ca -0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1ymy h VAL 156 Cb 0.91 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1ymy h VAL 156 CO 0.07 0.00 0.51 0.44 0.02 0.00 0.00 177.57 178.60 1ymy h ASP 157 N -0.24 0.79 -0.05 0.57 5.19 -1.47 -0.55 116.42 120.66 1ymy h ASP 157 Ca 0.18 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1ymy h ASP 157 Cb 0.56 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1ymy h ASP 157 CO -0.61 0.50 0.02 0.15 -3.12 0.00 0.00 179.24 176.18 1ymy h PHE 158 N 0.92 0.03 -0.73 4.55 3.57 0.53 -0.84 116.94 124.96 1ymy h PHE 158 Ca 0.37 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.93 1ymy h PHE 158 Cb 0.19 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.87 1ymy h PHE 158 CO -0.04 0.02 0.43 -0.07 -2.23 0.00 0.00 178.31 176.42 1ymy h LEU 159 N 0.04 0.65 -0.82 0.59 3.38 -0.05 -1.99 115.31 117.12 1ymy h LEU 159 Ca 0.02 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1ymy h LEU 159 Cb 0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ymy h LEU 159 CO -0.03 0.42 -0.30 0.00 0.09 0.00 0.00 178.44 178.62 1ymy h GLU 161 N 0.46 0.85 -0.86 0.00 5.08 -0.42 -2.57 114.58 117.13 1ymy h GLU 161 Ca 0.06 -0.05 -0.51 0.00 -1.00 0.00 0.00 59.36 57.86 1ymy h GLU 161 Cb 0.76 -0.19 -0.27 0.00 0.50 0.00 0.00 28.75 29.54 1ymy h GLU 161 CO 0.06 0.56 0.48 0.09 -1.00 0.00 0.00 179.01 179.20 1ymy n ASN 162 N -4.69 4.74 0.32 1.42 3.02 -0.99 -4.59 115.26 114.49 1ymy n ASN 162 Ca 0.14 -3.71 0.21 0.00 -0.03 0.00 0.00 54.58 51.19 1ymy n ASN 162 Cb 0.26 -0.81 1.10 0.00 -0.61 0.00 0.00 39.78 39.72 1ymy n ASN 162 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ymy h ALA 163 N 1.37 1.09 0.00 5.41 0.00 -1.16 -1.90 119.26 124.08 1ymy h ALA 163 Ca 0.53 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 1ymy h ALA 163 Cb 1.96 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 1ymy h ALA 163 CO 1.09 0.01 -0.13 0.38 0.00 0.00 0.00 179.25 180.61 1ymy h ASP 164 N 0.00 0.00 -0.00 0.00 2.03 -1.85 -3.13 116.42 113.47 1ymy h ASP 164 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ymy h ASP 164 Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 1ymy h ASP 164 CO 0.00 0.13 -0.02 1.33 -1.03 0.00 0.00 179.24 179.65 1ymy n VAL 165 N -3.66 0.00 -3.40 4.15 0.24 -0.76 -4.90 118.33 110.00 1ymy n VAL 165 Ca -0.02 -0.49 -0.44 0.00 -2.04 0.00 0.00 64.34 61.35 1ymy n VAL 165 Cb 0.25 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.56 1ymy n VAL 165 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ymy s ILE 166 N -0.46 4.87 0.03 1.34 1.01 -0.93 -0.70 121.20 126.37 1ymy s ILE 166 Ca 0.01 -1.53 -0.19 0.00 0.00 0.00 0.00 60.65 58.94 1ymy s ILE 166 Cb 0.01 -4.12 -0.18 0.00 0.01 0.00 0.00 42.46 38.18 1ymy s ILE 166 CO 0.02 -0.79 1.22 0.74 0.00 0.00 0.00 174.94 176.13 1ymy h THR 167 N 5.96 1.39 -2.59 2.92 2.02 -1.17 -3.44 112.91 118.00 1ymy h THR 167 Ca -0.27 -1.73 -0.08 0.00 0.77 0.00 0.00 66.41 65.10 1ymy h THR 167 Cb 1.09 2.21 -0.19 0.00 -1.74 0.00 0.00 68.15 69.53 1ymy h THR 167 CO 0.96 0.51 -0.03 -1.59 0.37 0.00 0.00 175.52 175.74 1ymy s LYS 168 N -3.73 0.90 -0.01 6.66 -2.85 -0.72 -1.29 119.74 118.69 1ymy s LYS 168 Ca -0.13 -0.04 0.05 0.00 -1.00 0.00 0.00 55.97 54.84 1ymy s LYS 168 Cb 0.05 0.41 -0.01 0.00 -2.06 0.00 0.00 37.83 36.22 1ymy s LYS 168 CO 0.80 -0.28 -0.16 0.14 0.10 0.00 0.00 175.35 175.94 1ymy s VAL 169 N -1.56 1.27 -0.20 1.79 -7.23 -0.64 -0.58 120.40 113.26 1ymy s VAL 169 Ca -0.10 -0.68 -0.08 0.00 -1.81 0.00 0.00 61.98 59.30 1ymy s VAL 169 Cb -0.02 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 1ymy s VAL 169 CO 0.05 0.36 0.09 -0.89 -0.31 0.00 0.00 175.10 174.40 1ymy s THR 170 N -0.34 4.94 0.10 5.32 2.01 0.29 -0.34 115.64 127.63 1ymy s THR 170 Ca 0.05 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.02 1ymy s THR 170 Cb -0.07 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 1ymy s THR 170 CO -0.00 0.43 0.14 -1.48 -0.69 0.00 0.00 174.62 173.01 1ymy s LEU 171 N 0.56 1.65 -0.32 4.42 0.05 -0.22 -3.13 118.68 121.68 1ymy s LEU 171 Ca 0.05 -0.84 -0.18 0.00 0.05 0.00 0.00 54.13 53.21 1ymy s LEU 171 Cb -0.12 0.77 -0.01 0.00 -2.05 0.00 0.00 46.19 44.77 1ymy s LEU 171 CO 0.01 -0.73 0.49 0.00 -0.55 0.00 0.00 176.35 175.57 1ymy s ALA 172 N -3.92 3.51 0.62 1.48 0.00 0.97 -2.08 121.76 122.35 1ymy s ALA 172 Ca 0.10 -0.93 0.28 0.00 0.00 0.00 0.00 51.96 51.41 1ymy s ALA 172 Cb 0.06 -2.95 1.45 0.00 0.00 0.00 0.00 23.12 21.67 1ymy s ALA 172 CO -0.07 -1.07 1.84 -1.00 0.00 0.00 0.00 175.76 175.46 1ymy h PRO 173 N 8.35 0.00 0.00 0.00 0.13 -1.88 -0.46 132.00 138.14 1ymy h PRO 173 Ca -0.29 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.58 1ymy h PRO 173 Cb 1.13 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.28 1ymy h PRO 173 CO 0.74 0.00 -1.03 0.93 -0.23 0.00 0.00 178.00 178.41 1ymy h GLU 174 N 0.00 0.65 0.00 0.86 3.07 -1.93 -3.27 114.58 113.97 1ymy h GLU 174 Ca 0.13 -0.71 0.00 0.00 -0.50 0.00 0.00 59.36 58.28 1ymy h GLU 174 Cb 1.07 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1ymy h GLU 174 CO -0.00 1.29 0.00 -1.33 -1.40 0.00 0.00 179.01 177.57 1ymy n MET 175 N -3.83 0.93 -3.93 2.33 2.81 -0.19 -4.86 117.12 110.39 1ymy n MET 175 Ca -0.10 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.65 1ymy n MET 175 Cb 0.88 -1.05 -0.14 0.00 -0.71 0.00 0.00 33.22 32.20 1ymy n MET 175 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ymy s VAL 176 N -2.00 0.09 0.65 2.03 1.01 -1.21 -4.95 120.40 116.02 1ymy s VAL 176 Ca 0.04 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.83 1ymy s VAL 176 Cb 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 36.38 36.30 1ymy s VAL 176 CO 0.03 0.04 1.19 -2.84 0.00 0.00 0.00 175.10 173.51 1ymy s PRO 177 N 0.09 2.66 0.30 2.72 0.02 -1.26 -4.90 135.00 134.63 1ymy s PRO 177 Ca -0.01 1.71 0.04 0.00 0.02 0.00 0.00 61.00 62.76 1ymy s PRO 177 Cb -0.02 -1.90 0.48 0.00 0.02 0.00 0.00 34.50 33.08 1ymy s PRO 177 CO -0.00 -1.42 1.77 0.00 -0.33 0.00 0.00 177.00 177.01 1ymy h ALA 178 N 0.32 1.19 -0.65 -1.55 0.00 -1.97 -2.68 119.26 113.92 1ymy h ALA 178 Ca -0.49 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.15 1ymy h ALA 178 Cb 1.29 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1ymy h ALA 178 CO 0.53 0.52 0.43 0.93 0.00 0.00 0.00 179.25 181.66 1ymy h GLU 179 N 0.41 0.74 -0.58 0.00 4.39 -1.93 -0.54 114.58 117.07 1ymy h GLU 179 Ca 0.07 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 1ymy h GLU 179 Cb 0.59 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1ymy h GLU 179 CO 0.04 0.49 0.07 0.28 -1.16 0.00 0.00 179.01 178.73 1ymy h VAL 180 N 0.76 1.26 -0.60 3.13 2.07 -1.85 -1.66 116.25 119.37 1ymy h VAL 180 Ca 0.26 -1.02 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 1ymy h VAL 180 Cb 0.09 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1ymy h VAL 180 CO -0.07 0.37 -0.03 0.40 0.02 0.00 0.00 177.57 178.26 1ymy h ILE 181 N 0.86 1.27 0.04 4.57 2.04 -1.18 -2.56 117.51 122.56 1ymy h ILE 181 Ca 0.17 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 1ymy h ILE 181 Cb 0.45 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1ymy h ILE 181 CO 0.02 0.43 -0.02 0.28 0.00 0.00 0.00 178.15 178.86 1ymy h SER 182 N 0.97 -0.05 -0.51 1.72 0.02 -0.95 -1.73 113.55 113.02 1ymy h SER 182 Ca 0.17 -0.16 0.10 0.00 -0.84 0.00 0.00 61.79 61.06 1ymy h SER 182 Cb 0.60 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.07 1ymy h SER 182 CO 0.04 0.13 0.01 0.11 -1.14 0.00 0.00 176.83 175.98 1ymy h LYS 183 N -0.23 0.13 -0.20 3.45 1.57 -1.23 0.20 116.57 120.26 1ymy h LYS 183 Ca -0.01 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1ymy h LYS 183 Cb 0.20 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1ymy h LYS 183 CO 0.01 0.08 0.09 -0.07 -0.57 0.00 0.00 179.45 179.00 1ymy h LEU 184 N 0.13 0.14 -1.27 2.94 4.07 -1.37 -1.28 115.31 118.67 1ymy h LEU 184 Ca 0.26 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 58.19 1ymy h LEU 184 Cb 0.39 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 1ymy h LEU 184 CO -0.42 0.11 0.05 0.00 -1.08 0.00 0.00 178.44 177.10 1ymy h ALA 185 N 1.11 1.41 0.00 1.53 0.00 -0.35 -2.11 119.26 120.86 1ymy h ALA 185 Ca 0.08 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1ymy h ALA 185 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1ymy h ALA 185 CO -0.06 0.42 -0.60 -0.91 0.00 0.00 0.00 179.25 178.10 1ymy h ASN 186 N 0.53 0.00 0.08 0.00 2.35 -0.31 -2.44 115.58 115.78 1ymy h ASN 186 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1ymy h ASN 186 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1ymy h ASN 186 CO 0.00 0.60 0.00 0.00 -1.65 0.00 0.00 177.43 176.38 1ymy n ALA 187 N -2.34 2.24 -0.56 -0.83 0.00 -0.51 -4.83 120.51 113.68 1ymy n ALA 187 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1ymy n ALA 187 Cb 0.66 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1ymy n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ymy n GLY 188 N 0.35 0.74 3.80 0.00 0.00 -0.92 -4.83 105.19 104.34 1ymy n GLY 188 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1ymy n GLY 188 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ymy s ILE 189 N -2.37 4.44 -0.36 -0.61 1.01 -0.84 -5.02 121.20 117.46 1ymy s ILE 189 Ca 0.00 1.49 -0.26 0.00 0.00 0.00 0.00 60.65 61.88 1ymy s ILE 189 Cb 0.00 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.55 1ymy s ILE 189 CO 0.00 0.23 0.94 -0.69 0.00 0.00 0.00 174.94 175.42 1ymy s VAL 190 N -1.50 4.57 -0.21 2.92 1.01 -0.41 -4.10 120.40 122.68 1ymy s VAL 190 Ca 0.44 1.25 -0.17 0.00 0.00 0.00 0.00 61.98 63.50 1ymy s VAL 190 Cb -0.18 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 1ymy s VAL 190 CO 0.22 -0.54 0.45 -0.69 0.00 0.00 0.00 175.10 174.55 1ymy s VAL 191 N 3.51 5.15 -0.01 2.92 1.01 -1.26 -1.62 120.40 130.10 1ymy s VAL 191 Ca 0.39 0.81 0.05 0.00 0.00 0.00 0.00 61.98 63.23 1ymy s VAL 191 Cb -0.12 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1ymy s VAL 191 CO 0.19 0.21 -0.15 -0.55 0.00 0.00 0.00 175.10 174.79 1ymy s SER 192 N 1.15 4.02 -0.02 3.32 0.15 0.54 -2.22 113.70 120.63 1ymy s SER 192 Ca 0.21 -0.28 -0.19 0.00 0.70 0.00 0.00 55.95 56.40 1ymy s SER 192 Cb -0.15 -0.79 -0.05 0.00 -1.71 0.00 0.00 66.02 63.32 1ymy s SER 192 CO 0.09 0.30 0.52 0.00 1.20 0.00 0.00 173.24 175.35 1ymy s ALA 193 N -0.84 3.54 -0.24 5.45 0.00 0.89 -1.06 121.76 129.50 1ymy s ALA 193 Ca 0.13 -0.08 -0.37 0.00 0.00 0.00 0.00 51.96 51.65 1ymy s ALA 193 Cb -0.11 -2.63 0.16 0.00 0.00 0.00 0.00 23.12 20.54 1ymy s ALA 193 CO 0.03 0.21 1.40 0.20 0.00 0.00 0.00 175.76 177.61 1ymy s GLY 194 N -0.27 -0.29 -1.37 0.00 0.00 -0.88 -0.53 107.32 103.99 1ymy s GLY 194 Ca 0.28 1.65 -0.01 0.00 0.00 0.00 0.00 44.72 46.63 1ymy s GLY 194 CO 0.15 0.51 0.49 1.42 0.00 0.00 0.00 173.10 175.66 1ymy n HIS 195 N -0.15 -1.71 -4.39 1.90 -0.00 -1.13 -3.71 115.22 106.03 1ymy n HIS 195 Ca 0.01 0.74 -0.20 0.00 -0.00 0.00 0.00 57.72 58.28 1ymy n HIS 195 Cb 0.58 -3.84 -0.10 0.00 -0.00 0.00 0.00 29.99 26.63 1ymy n HIS 195 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ymy s SER 196 N -4.32 2.35 -0.11 0.41 0.15 -0.93 -2.72 113.70 108.53 1ymy s SER 196 Ca 0.03 -1.21 0.16 0.00 0.70 0.00 0.00 55.95 55.63 1ymy s SER 196 Cb -0.01 -0.09 0.38 0.00 -1.71 0.00 0.00 66.02 64.59 1ymy s SER 196 CO 0.87 -0.43 1.18 -3.20 1.20 0.00 0.00 173.24 172.86 1ymy n ASN 197 N -0.52 1.37 -4.75 5.45 2.85 -1.26 -4.09 115.26 114.31 1ymy n ASN 197 Ca -0.05 -2.97 -0.38 0.00 -0.11 0.00 0.00 54.58 51.07 1ymy n ASN 197 Cb 0.64 -0.41 0.04 0.00 1.24 0.00 0.00 39.78 41.29 1ymy n ASN 197 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ymy s ALA 198 N -1.75 2.80 0.70 5.20 0.00 -1.26 -4.90 121.76 122.54 1ymy s ALA 198 Ca 0.33 1.27 -0.06 0.00 0.00 0.00 0.00 51.96 53.50 1ymy s ALA 198 Cb 0.34 -3.54 0.07 0.00 0.00 0.00 0.00 23.12 19.98 1ymy s ALA 198 CO -0.09 -1.30 1.00 0.95 0.00 0.00 0.00 175.76 176.31 1ymy s THR 199 N -1.35 2.30 0.15 0.00 -4.23 -1.26 -2.77 115.64 108.48 1ymy s THR 199 Ca 0.72 -0.32 -0.17 0.00 -1.18 0.00 0.00 61.69 60.74 1ymy s THR 199 Cb -0.39 -2.98 -0.00 0.00 1.34 0.00 0.00 72.50 70.47 1ymy s THR 199 CO 0.45 0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.57 1ymy h LEU 200 N -0.55 0.34 -0.15 4.79 5.85 -1.92 0.22 115.31 123.88 1ymy h LEU 200 Ca -0.44 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.30 1ymy h LEU 200 Cb 1.31 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1ymy h LEU 200 CO 0.58 0.25 0.05 0.11 -0.34 0.00 0.00 178.44 179.09 1ymy h LYS 201 N 0.42 0.12 -0.47 1.25 6.56 -1.94 0.37 116.57 122.89 1ymy h LYS 201 Ca 0.14 -0.01 0.06 0.00 -1.06 0.00 0.00 60.65 59.78 1ymy h LYS 201 Cb -0.00 -0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 31.58 1ymy h LYS 201 CO -0.06 0.08 0.18 0.93 -2.06 0.00 0.00 179.45 178.52 1ymy h GLU 202 N 0.13 0.36 -0.11 3.15 5.08 -1.85 -1.19 114.58 120.14 1ymy h GLU 202 Ca 0.07 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1ymy h GLU 202 Cb 0.04 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1ymy h GLU 202 CO -0.07 0.24 0.01 0.00 -1.00 0.00 0.00 179.01 178.19 1ymy h ALA 203 N 1.30 0.10 -0.57 3.43 0.00 0.27 -2.44 119.26 121.36 1ymy h ALA 203 Ca 0.22 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1ymy h ALA 203 Cb 0.21 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1ymy h ALA 203 CO -0.21 -0.45 0.38 0.87 0.00 0.00 0.00 179.25 179.83 1ymy h LYS 204 N 0.05 0.68 -0.73 0.00 1.57 0.17 -1.90 116.57 116.41 1ymy h LYS 204 Ca 0.05 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1ymy h LYS 204 Cb 0.05 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1ymy h LYS 204 CO -0.07 0.45 0.30 0.00 -0.57 0.00 0.00 179.45 179.56 1ymy h ALA 205 N 1.66 0.95 0.00 3.86 0.00 -0.77 -1.77 119.26 123.19 1ymy h ALA 205 Ca 0.22 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1ymy h ALA 205 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ymy h ALA 205 CO -0.05 0.57 -0.24 0.78 0.00 0.00 0.00 179.25 180.30 1ymy h GLY 206 N 1.05 0.00 0.99 0.00 0.00 -0.99 -0.93 103.07 103.18 1ymy h GLY 206 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.39 1ymy h GLY 206 CO -0.02 0.00 -0.67 0.74 0.00 0.00 0.00 176.54 176.59 1ymy h PHE 207 N 0.00 0.84 -0.14 5.60 0.04 -0.97 -1.63 116.94 120.68 1ymy h PHE 207 Ca -0.00 -0.39 -0.04 0.00 2.80 0.00 0.00 57.97 60.33 1ymy h PHE 207 Cb 0.50 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 1ymy h PHE 207 CO 0.00 1.20 -0.11 0.00 -0.60 0.00 0.00 178.31 178.81 1ymy h ARG 208 N 0.23 0.21 0.00 1.51 3.08 -1.02 -1.56 114.38 116.83 1ymy h ARG 208 Ca -0.06 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1ymy h ARG 208 Cb 1.32 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1ymy h ARG 208 CO 0.14 0.33 0.00 0.00 -1.07 0.00 0.00 179.97 179.36 1ymy n ALA 209 N -2.49 1.88 0.00 0.04 0.00 -0.38 -4.87 120.51 114.68 1ymy n ALA 209 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ymy n ALA 209 Cb 0.24 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1ymy n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ymy n GLY 210 N 0.46 1.44 3.72 0.00 0.00 -0.59 -2.93 105.19 107.29 1ymy n GLY 210 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1ymy n GLY 210 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ymy n ILE 211 N 0.00 1.55 -1.50 -0.61 5.41 -0.63 -4.75 119.36 118.84 1ymy n ILE 211 Ca 0.00 -0.39 0.01 0.00 1.00 0.00 0.00 62.75 63.37 1ymy n ILE 211 Cb 0.00 -1.71 0.01 0.00 -0.71 0.00 0.00 39.64 37.23 1ymy n ILE 211 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1ymy n THR 212 N 1.10 0.15 -3.63 1.39 -2.24 -0.94 -4.61 114.28 105.50 1ymy n THR 212 Ca 0.06 -0.17 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 1ymy n THR 212 Cb 0.36 0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 69.16 1ymy n THR 212 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1ymy s PHE 213 N -0.20 -0.54 -0.07 4.78 2.19 -1.19 -1.98 117.98 120.97 1ymy s PHE 213 Ca 0.02 1.06 0.04 0.00 0.33 0.00 0.00 56.93 58.38 1ymy s PHE 213 Cb 0.02 0.27 0.00 0.00 -1.31 0.00 0.00 43.02 42.00 1ymy s PHE 213 CO 0.00 -0.46 -0.19 0.00 1.83 0.00 0.00 175.22 176.40 1ymy s ALA 214 N -0.74 1.72 0.09 11.12 0.00 -0.75 -0.08 121.76 133.12 1ymy s ALA 214 Ca -0.08 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 1ymy s ALA 214 Cb -0.03 -0.64 -0.06 0.00 0.00 0.00 0.00 23.12 22.40 1ymy s ALA 214 CO 0.06 0.25 1.14 0.99 0.00 0.00 0.00 175.76 178.20 1ymy s THR 215 N 0.28 4.08 -0.00 0.00 2.01 0.31 -2.34 115.64 119.98 1ymy s THR 215 Ca -0.11 1.58 -0.00 0.00 0.31 0.00 0.00 61.69 63.46 1ymy s THR 215 Cb -0.15 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.35 1ymy s THR 215 CO 0.05 0.17 0.01 0.00 -0.69 0.00 0.00 174.62 174.16 1ymy n HIS 216 N 3.43 -0.03 -1.59 4.92 1.44 -1.23 -4.75 115.22 117.42 1ymy n HIS 216 Ca 0.07 0.01 -0.46 0.00 -2.01 0.00 0.00 57.72 55.33 1ymy n HIS 216 Cb 0.47 -0.06 -0.02 0.00 0.12 0.00 0.00 29.99 30.50 1ymy n HIS 216 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1ymy n LEU 217 N 0.43 1.75 0.00 2.39 7.94 0.29 -1.96 117.00 127.84 1ymy n LEU 217 Ca -0.00 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.06 1ymy n LEU 217 Cb 0.03 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 42.71 1ymy n LEU 217 CO 0.01 -1.34 0.00 -1.22 -1.11 0.00 0.00 177.39 173.73 1ymy n TYR 218 N 0.70 0.00 -4.35 1.96 0.53 -1.26 -4.76 117.16 109.98 1ymy n TYR 218 Ca 0.11 0.00 -0.35 0.00 -1.02 0.00 0.00 57.90 56.65 1ymy n TYR 218 Cb 0.30 0.00 -0.10 0.00 -1.03 0.00 0.00 39.34 38.51 1ymy n TYR 218 CO 0.00 0.00 0.00 -0.80 -1.02 0.00 0.00 176.86 175.04 1ymy s ASN 219 N -3.24 5.21 -1.62 7.72 0.02 -0.83 -4.38 114.94 117.81 1ymy s ASN 219 Ca 0.00 0.10 -0.04 0.00 -1.02 0.00 0.00 52.86 51.91 1ymy s ASN 219 Cb 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 41.25 39.72 1ymy s ASN 219 CO 0.00 0.34 0.46 0.00 0.02 0.00 0.00 177.10 177.92 1ymy n ALA 220 N 2.43 -0.89 -2.23 0.60 0.00 -1.26 -4.60 120.51 114.56 1ymy n ALA 220 Ca -0.18 0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 1ymy n ALA 220 Cb 0.53 -3.49 -0.10 0.00 0.00 0.00 0.00 19.45 16.39 1ymy n ALA 220 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1ymy s MET 221 N -5.55 1.03 0.81 0.00 -1.94 -1.26 -2.19 119.30 110.20 1ymy s MET 221 Ca 0.23 -1.46 -0.11 0.00 -1.71 0.00 0.00 55.69 52.63 1ymy s MET 221 Cb -0.10 -0.38 0.08 0.00 2.01 0.00 0.00 34.83 36.44 1ymy s MET 221 CO 0.29 -0.04 1.10 -1.25 -0.01 0.00 0.00 175.02 175.10 1ymy s PRO 222 N -3.84 1.99 0.69 2.03 0.04 -1.26 -5.01 135.00 129.64 1ymy s PRO 222 Ca 0.19 0.68 -0.14 0.00 0.04 0.00 0.00 61.00 61.76 1ymy s PRO 222 Cb 0.05 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.70 1ymy s PRO 222 CO 0.01 -1.70 1.12 0.71 0.04 0.00 0.00 177.00 177.18 1ymy s TYR 223 N -3.12 2.52 -0.22 0.56 4.12 -1.26 -4.71 117.35 115.24 1ymy s TYR 223 Ca 0.61 1.56 -0.16 0.00 0.02 0.00 0.00 57.07 59.10 1ymy s TYR 223 Cb -0.15 -3.19 -0.04 0.00 -1.52 0.00 0.00 41.96 37.07 1ymy s TYR 223 CO 0.55 -1.84 0.42 0.42 0.02 0.00 0.00 175.55 175.12 1ymy s ILE 224 N -2.39 5.17 0.46 2.71 1.01 -1.26 -4.62 121.20 122.28 1ymy s ILE 224 Ca 0.67 0.74 0.04 0.00 0.00 0.00 0.00 60.65 62.10 1ymy s ILE 224 Cb -0.21 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1ymy s ILE 224 CO 0.44 0.21 0.01 0.42 0.00 0.00 0.00 174.94 176.03 1ymy s THR 225 N 1.57 1.56 0.17 2.92 -4.23 -0.75 -4.99 115.64 111.90 1ymy s THR 225 Ca 0.19 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.64 1ymy s THR 225 Cb -0.15 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 1ymy s THR 225 CO 0.09 0.00 1.51 1.23 -0.54 0.00 0.00 174.62 176.90 1ymy h GLY 226 N 1.53 0.83 1.48 3.99 0.00 -1.98 -3.25 103.07 105.67 1ymy h GLY 226 Ca -0.44 -0.87 -0.30 0.00 0.00 0.00 0.00 47.33 45.72 1ymy h GLY 226 CO 0.77 0.79 -1.35 3.21 0.00 0.00 0.00 176.54 179.96 1ymy h ARG 227 N 0.61 0.34 -3.86 4.80 2.47 -2.02 -3.42 114.38 113.30 1ymy h ARG 227 Ca 0.04 -0.59 -0.60 0.00 -1.26 0.00 0.00 59.98 57.58 1ymy h ARG 227 Cb 1.00 0.22 -0.40 0.00 -1.65 0.00 0.00 29.97 29.14 1ymy h ARG 227 CO 0.09 1.27 -0.75 -1.83 0.56 0.00 0.00 179.97 179.31 1ymy s GLU 228 N -2.64 0.95 0.53 0.04 1.03 -1.23 -4.98 118.70 112.42 1ymy s GLU 228 Ca -0.06 -1.19 0.20 0.00 0.03 0.00 0.00 54.97 53.95 1ymy s GLU 228 Cb 0.06 -2.30 1.39 0.00 -0.80 0.00 0.00 34.13 32.49 1ymy s GLU 228 CO 0.90 -0.92 2.16 -1.35 -1.33 0.00 0.00 175.26 174.72 1ymy h PRO 229 N 7.99 0.00 0.00 -4.83 0.11 -1.83 -1.98 132.00 131.46 1ymy h PRO 229 Ca -0.12 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.00 1ymy h PRO 229 Cb 1.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1ymy h PRO 229 CO 0.47 0.02 -0.02 0.41 -0.21 0.00 0.00 178.00 178.66 1ymy n GLY 230 N -1.43 -1.74 0.10 -0.55 0.00 -1.26 -2.09 105.19 98.21 1ymy n GLY 230 Ca -0.03 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 1ymy n GLY 230 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ymy h LEU 231 N 0.00 0.20 -0.73 0.99 5.85 -1.73 -1.16 115.31 118.73 1ymy h LEU 231 Ca 0.00 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.73 1ymy h LEU 231 Cb 0.05 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 1ymy h LEU 231 CO 0.00 0.21 0.39 0.00 -0.34 0.00 0.00 178.44 178.70 1ymy h ALA 232 N 1.00 1.00 -0.51 1.25 0.00 -1.85 0.74 119.26 120.89 1ymy h ALA 232 Ca 0.06 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1ymy h ALA 232 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ymy h ALA 232 CO -0.01 0.02 0.11 0.78 0.00 0.00 0.00 179.25 180.15 1ymy h GLY 233 N 0.68 0.85 0.73 0.00 0.00 -1.16 -0.19 103.07 103.98 1ymy h GLY 233 Ca 0.35 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 1ymy h GLY 233 CO -0.24 0.46 -0.20 0.00 0.00 0.00 0.00 176.54 176.57 1ymy h ALA 234 N 1.36 0.19 -0.48 3.60 0.00 0.46 -1.56 119.26 122.83 1ymy h ALA 234 Ca 0.17 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1ymy h ALA 234 Cb 0.30 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1ymy h ALA 234 CO 0.00 0.13 0.20 0.82 0.00 0.00 0.00 179.25 180.40 1ymy h ILE 235 N -0.05 0.89 -0.47 0.00 2.04 0.62 0.21 117.51 120.76 1ymy h ILE 235 Ca 0.01 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1ymy h ILE 235 Cb 0.76 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1ymy h ILE 235 CO 0.04 0.07 0.22 -0.07 0.00 0.00 0.00 178.15 178.41 1ymy h LEU 236 N 0.40 0.58 0.00 1.44 3.38 -0.99 -2.83 115.31 117.30 1ymy h LEU 236 Ca 0.22 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ymy h LEU 236 Cb 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ymy h LEU 236 CO -0.20 0.51 -0.06 -0.78 0.09 0.00 0.00 178.44 178.00 1ymy h ASP 237 N 0.65 0.00 -3.44 -0.43 3.58 -0.21 -3.44 116.42 113.14 1ymy h ASP 237 Ca 0.16 -0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.93 1ymy h ASP 237 Cb 0.08 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 40.96 1ymy h ASP 237 CO -0.02 0.00 -0.01 -0.70 -2.88 0.00 0.00 179.24 175.63 1ymy s GLU 238 N -3.21 3.16 0.43 0.28 2.56 -0.04 -4.95 118.70 116.92 1ymy s GLU 238 Ca 0.07 -0.70 0.10 0.00 0.00 0.00 0.00 54.97 54.44 1ymy s GLU 238 Cb 0.06 -4.01 0.92 0.00 2.00 0.00 0.00 34.13 33.10 1ymy s GLU 238 CO 0.67 -1.04 2.03 0.00 -0.56 0.00 0.00 175.26 176.36 1ymy h ALA 239 N 8.88 1.71 -0.33 6.30 0.00 -1.84 -3.03 119.26 130.95 1ymy h ALA 239 Ca -0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ymy h ALA 239 Cb 1.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ymy h ALA 239 CO 0.89 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.98 1ymy n ASP 240 N -4.43 3.42 -4.32 0.00 5.75 -1.26 -4.85 116.55 110.86 1ymy n ASP 240 Ca 0.01 -2.44 -0.35 0.00 -0.01 0.00 0.00 54.79 51.99 1ymy n ASP 240 Cb 0.13 -0.56 -0.14 0.00 -1.03 0.00 0.00 41.12 39.52 1ymy n ASP 240 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1ymy s ILE 241 N -1.90 3.43 0.68 2.12 -1.09 -1.15 -4.93 121.20 118.36 1ymy s ILE 241 Ca 0.30 -0.48 -0.11 0.00 -2.23 0.00 0.00 60.65 58.12 1ymy s ILE 241 Cb 0.22 -2.57 -0.00 0.00 -1.58 0.00 0.00 42.46 38.53 1ymy s ILE 241 CO 0.10 0.41 1.06 -0.31 -1.23 0.00 0.00 174.94 174.98 1ymy s TYR 242 N 1.49 3.35 -0.15 3.97 2.02 -0.83 -4.91 117.35 122.28 1ymy s TYR 242 Ca 0.06 1.22 -0.30 0.00 -0.37 0.00 0.00 57.07 57.68 1ymy s TYR 242 Cb -0.14 -2.91 0.12 0.00 -0.40 0.00 0.00 41.96 38.63 1ymy s TYR 242 CO -0.03 -1.07 0.96 0.00 -1.57 0.00 0.00 175.55 173.84 1ymy s GLY 244 N -1.06 1.38 -0.12 0.00 0.00 -0.99 -0.88 107.32 105.65 1ymy s GLY 244 Ca -0.03 -1.07 -0.11 0.00 0.00 0.00 0.00 44.72 43.51 1ymy s GLY 244 CO 0.02 -1.01 0.33 -1.50 0.00 0.00 0.00 173.10 170.94 1ymy s ILE 245 N -2.27 -0.00 -0.52 0.90 2.07 0.07 -0.54 121.20 120.91 1ymy s ILE 245 Ca 0.41 0.01 -0.21 0.00 -1.41 0.00 0.00 60.65 59.45 1ymy s ILE 245 Cb -0.10 -0.46 0.05 0.00 0.13 0.00 0.00 42.46 42.08 1ymy s ILE 245 CO 0.34 0.00 0.74 -0.63 -1.91 0.00 0.00 174.94 173.49 1ymy s ILE 246 N 0.28 4.70 -1.34 2.00 1.01 -1.26 -1.85 121.20 124.74 1ymy s ILE 246 Ca -0.01 -0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 1ymy s ILE 246 Cb -0.03 -4.38 0.10 0.00 0.01 0.00 0.00 42.46 38.15 1ymy s ILE 246 CO -0.01 -0.91 2.45 0.00 0.00 0.00 0.00 174.94 176.47 1ymy n ALA 247 N 6.65 6.88 0.08 9.38 0.00 -1.25 -4.37 120.51 137.88 1ymy n ALA 247 Ca -0.03 -4.01 0.05 0.00 0.00 0.00 0.00 53.44 49.44 1ymy n ALA 247 Cb 0.46 -2.82 0.10 0.00 0.00 0.00 0.00 19.45 17.19 1ymy n ALA 247 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ymy n ASP 248 N 1.88 2.40 -0.29 0.00 3.85 -1.26 -4.56 116.55 118.57 1ymy n ASP 248 Ca 0.64 -1.75 -0.04 0.00 -0.71 0.00 0.00 54.79 52.93 1ymy n ASP 248 Cb 0.25 -0.12 -0.02 0.00 -1.35 0.00 0.00 41.12 39.88 1ymy n ASP 248 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ymy n GLY 249 N 0.47 0.49 0.79 6.12 0.00 -1.26 -4.78 105.19 107.02 1ymy n GLY 249 Ca 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 1ymy n GLY 249 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ymy n LEU 250 N -0.43 0.60 0.12 0.99 4.32 -1.26 -4.80 117.00 116.53 1ymy n LEU 250 Ca -0.04 0.02 -0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1ymy n LEU 250 Cb 0.40 -0.07 -0.02 0.00 -1.62 0.00 0.00 43.42 42.11 1ymy n LEU 250 CO 0.06 0.12 0.38 0.45 -1.22 0.00 0.00 177.39 177.18 1ymy h HIS 251 N -0.07 0.00 -3.27 -1.77 3.86 -1.86 -3.44 115.15 108.59 1ymy h HIS 251 Ca -0.06 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.87 1ymy h HIS 251 Cb 1.06 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 29.19 1ymy h HIS 251 CO -0.01 0.65 -0.64 0.08 0.86 0.00 0.00 177.93 178.87 1ymy s VAL 252 N -2.89 -0.10 0.35 2.45 1.01 -1.26 -4.86 120.40 115.10 1ymy s VAL 252 Ca 0.03 0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.97 1ymy s VAL 252 Cb 0.08 -0.22 -0.11 0.00 0.00 0.00 0.00 36.38 36.14 1ymy s VAL 252 CO 0.77 0.10 1.43 -0.62 0.00 0.00 0.00 175.10 176.78 1ymy s ASP 253 N 1.48 6.49 0.55 3.32 2.15 -1.26 -4.24 116.67 125.17 1ymy s ASP 253 Ca -0.05 2.92 0.26 0.00 0.43 0.00 0.00 52.55 56.11 1ymy s ASP 253 Cb -0.12 -2.66 1.47 0.00 -0.30 0.00 0.00 42.92 41.31 1ymy s ASP 253 CO -0.05 -0.76 2.00 1.88 -0.17 0.00 0.00 175.17 178.07 1ymy h TYR 254 N 3.31 0.00 -0.70 -5.34 0.05 -1.93 -0.77 116.97 111.59 1ymy h TYR 254 Ca -0.50 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.22 1ymy h TYR 254 Cb 1.23 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.94 1ymy h TYR 254 CO 0.55 0.00 0.19 0.00 -1.05 0.00 0.00 178.16 177.84 1ymy h ALA 255 N 1.70 0.92 -0.09 3.88 0.00 -1.91 -1.40 119.26 122.35 1ymy h ALA 255 Ca 0.20 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1ymy h ALA 255 Cb 0.91 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1ymy h ALA 255 CO -0.00 0.62 -0.30 -0.91 0.00 0.00 0.00 179.25 178.66 1ymy h ASN 256 N 1.04 0.16 -0.12 0.00 2.35 -1.51 -1.03 115.58 116.47 1ymy h ASN 256 Ca 0.22 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1ymy h ASN 256 Cb 0.35 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 1ymy h ASN 256 CO -0.00 0.46 -0.01 0.40 -1.65 0.00 0.00 177.43 176.63 1ymy h ILE 257 N 0.14 1.27 -0.45 2.81 2.04 -1.22 -0.53 117.51 121.57 1ymy h ILE 257 Ca 0.02 -0.88 0.02 0.00 1.00 0.00 0.00 64.86 65.03 1ymy h ILE 257 Cb 0.61 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1ymy h ILE 257 CO 0.04 0.25 0.26 0.03 0.00 0.00 0.00 178.15 178.73 1ymy h ARG 258 N -0.07 0.50 -0.64 2.37 3.08 -0.90 0.24 114.38 118.96 1ymy h ARG 258 Ca 0.03 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1ymy h ARG 258 Cb 0.40 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1ymy h ARG 258 CO 0.01 0.33 0.33 -0.91 -1.07 0.00 0.00 179.97 178.66 1ymy h ASN 259 N 0.51 0.80 -0.12 7.04 2.35 -1.10 -2.20 115.58 122.86 1ymy h ASN 259 Ca 0.18 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 1ymy h ASN 259 Cb 0.04 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 1ymy h ASN 259 CO -0.10 0.66 -0.11 0.00 -1.65 0.00 0.00 177.43 176.23 1ymy h ALA 260 N 1.47 0.18 -0.57 -0.83 0.00 -0.15 -2.41 119.26 116.94 1ymy h ALA 260 Ca 0.23 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.94 1ymy h ALA 260 Cb 0.06 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 1ymy h ALA 260 CO -0.03 0.03 0.08 -0.22 0.00 0.00 0.00 179.25 179.11 1ymy h LYS 261 N -0.09 0.20 -0.45 0.00 1.63 -0.24 0.48 116.57 118.10 1ymy h LYS 261 Ca 0.02 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.75 1ymy h LYS 261 Cb 0.63 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 1ymy h LYS 261 CO 0.03 0.13 0.03 0.00 -3.45 0.00 0.00 179.45 176.19 1ymy h ARG 262 N 0.20 0.71 0.05 1.90 3.08 -1.38 0.42 114.38 119.36 1ymy h ARG 262 Ca 0.29 -0.16 -0.24 0.00 0.07 0.00 0.00 59.98 59.94 1ymy h ARG 262 Cb 0.44 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1ymy h ARG 262 CO -0.41 0.70 -1.18 -0.07 -1.07 0.00 0.00 179.97 177.93 1ymy h LEU 263 N 0.67 0.15 -0.23 3.04 3.38 -0.67 -3.34 115.31 118.32 1ymy h LEU 263 Ca 0.14 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ymy h LEU 263 Cb 0.37 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ymy h LEU 263 CO 0.01 1.14 -0.71 0.29 0.09 0.00 0.00 178.44 179.26 1ymy n LYS 264 N -3.38 0.30 0.00 1.13 4.76 0.16 -4.95 118.16 116.18 1ymy n LYS 264 Ca -0.05 -0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 1ymy n LYS 264 Cb 0.98 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.68 1ymy n LYS 264 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ymy n GLY 265 N 1.47 2.94 0.05 0.72 0.00 0.13 -0.42 105.19 110.08 1ymy n GLY 265 Ca 0.06 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1ymy n GLY 265 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ymy n ASP 266 N 3.95 0.10 -1.15 1.61 5.75 -1.26 -3.61 116.55 121.95 1ymy n ASP 266 Ca 0.00 -1.98 0.10 0.00 -0.01 0.00 0.00 54.79 52.90 1ymy n ASP 266 Cb 0.00 -0.05 0.27 0.00 -1.03 0.00 0.00 41.12 40.31 1ymy n ASP 266 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ymy n LYS 267 N -0.45 2.82 -3.80 0.11 4.76 0.44 -4.85 118.16 117.20 1ymy n LYS 267 Ca 0.00 -2.49 -0.36 0.00 -2.87 0.00 0.00 58.31 52.58 1ymy n LYS 267 Cb 0.03 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.61 1ymy n LYS 267 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1ymy s LEU 268 N -1.05 3.74 -0.04 -0.35 2.96 -1.24 -1.60 118.68 121.10 1ymy s LEU 268 Ca 0.41 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 1ymy s LEU 268 Cb 0.22 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1ymy s LEU 268 CO 0.27 0.04 -0.07 0.00 -1.32 0.00 0.00 176.35 175.28 1ymy s LEU 270 N -1.02 4.37 0.07 0.00 0.20 0.06 -0.75 118.68 121.61 1ymy s LEU 270 Ca 0.14 1.51 0.01 0.00 0.69 0.00 0.00 54.13 56.48 1ymy s LEU 270 Cb -0.11 -3.40 -0.04 0.00 -0.43 0.00 0.00 46.19 42.21 1ymy s LEU 270 CO 0.04 -0.18 -0.05 0.68 -0.29 0.00 0.00 176.35 176.54 1ymy s VAL 271 N 0.79 0.45 -0.29 1.68 -7.23 -0.77 -4.69 120.40 110.33 1ymy s VAL 271 Ca 0.46 -1.77 0.01 0.00 -1.81 0.00 0.00 61.98 58.87 1ymy s VAL 271 Cb -0.20 -1.47 0.09 0.00 0.56 0.00 0.00 36.38 35.35 1ymy s VAL 271 CO 0.25 -0.88 0.03 0.42 -0.31 0.00 0.00 175.10 174.61 1ymy s THR 272 N -3.49 1.59 0.00 5.32 -4.23 -1.26 -3.95 115.64 109.62 1ymy s THR 272 Ca 0.07 -1.66 -0.01 0.00 -1.18 0.00 0.00 61.69 58.91 1ymy s THR 272 Cb 0.05 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 1ymy s THR 272 CO -0.06 -0.44 1.04 -0.67 -0.54 0.00 0.00 174.62 173.95 1ymy n ASP 273 N 4.58 1.86 -4.62 3.99 4.64 -1.25 -4.38 116.55 121.37 1ymy n ASP 273 Ca -0.04 -1.63 -0.40 0.00 -1.38 0.00 0.00 54.79 51.35 1ymy n ASP 273 Cb 0.43 -0.43 0.03 0.00 -1.04 0.00 0.00 41.12 40.10 1ymy n ASP 273 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ymy n ALA 274 N 2.21 0.31 -3.01 -1.67 0.00 -1.26 -3.46 120.51 113.63 1ymy n ALA 274 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1ymy n ALA 274 Cb 0.23 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1ymy n ALA 274 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ymy n THR 275 N -0.93 0.00 -0.44 0.00 -2.24 -0.75 -0.74 114.28 109.18 1ymy n THR 275 Ca 0.10 0.00 0.38 0.00 -2.27 0.00 0.00 64.05 62.26 1ymy n THR 275 Cb 0.42 0.00 0.58 0.00 -2.10 0.00 0.00 70.33 69.24 1ymy n THR 275 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ymy n ALA 276 N -3.00 1.35 -2.80 6.98 0.00 -1.25 -3.63 120.51 118.16 1ymy n ALA 276 Ca 0.00 0.46 -0.42 0.00 0.00 0.00 0.00 53.44 53.48 1ymy n ALA 276 Cb 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 19.45 18.65 1ymy n ALA 276 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ymy n GLY 308 N -1.75 5.51 3.85 0.00 0.00 -1.26 -3.25 105.19 108.30 1ymy n GLY 308 Ca 0.32 -2.59 -0.21 0.00 0.00 0.00 0.00 46.02 43.54 1ymy n GLY 308 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ymy s SER 309 N -1.43 5.07 -0.12 1.61 1.04 -1.23 -5.03 113.70 113.62 1ymy s SER 309 Ca 0.35 -0.68 0.14 0.00 0.48 0.00 0.00 55.95 56.24 1ymy s SER 309 Cb 0.11 -0.71 0.29 0.00 0.10 0.00 0.00 66.02 65.81 1ymy s SER 309 CO 0.01 -0.53 1.14 -1.54 0.98 0.00 0.00 173.24 173.31 1ymy n SER 310 N -1.45 1.64 -4.72 7.02 3.41 -1.26 -2.58 113.62 115.67 1ymy n SER 310 Ca 0.01 -3.01 -0.42 0.00 -0.26 0.00 0.00 58.87 55.20 1ymy n SER 310 Cb 0.61 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1ymy n SER 310 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ymy s LEU 311 N -2.18 4.42 0.31 1.04 0.20 -1.26 -5.02 118.68 116.18 1ymy s LEU 311 Ca 0.28 2.06 0.07 0.00 0.69 0.00 0.00 54.13 57.24 1ymy s LEU 311 Cb 0.27 -3.59 -0.03 0.00 -0.43 0.00 0.00 46.19 42.41 1ymy s LEU 311 CO -0.02 -0.37 0.32 0.42 -0.29 0.00 0.00 176.35 176.40 1ymy s THR 312 N 0.48 4.00 0.20 3.68 -4.23 -1.26 -4.61 115.64 113.90 1ymy s THR 312 Ca 0.55 -1.26 -0.10 0.00 -1.18 0.00 0.00 61.69 59.69 1ymy s THR 312 Cb -0.30 -3.34 0.13 0.00 1.34 0.00 0.00 72.50 70.33 1ymy s THR 312 CO 0.32 -0.22 1.79 0.24 -0.54 0.00 0.00 174.62 176.21 1ymy h MET 313 N 1.22 1.02 -0.44 3.99 0.00 -1.95 -0.69 114.93 118.07 1ymy h MET 313 Ca -0.46 -0.15 -0.07 0.00 0.00 0.00 0.00 59.70 59.02 1ymy h MET 313 Cb 1.25 -0.19 -0.02 0.00 0.00 0.00 0.00 31.60 32.64 1ymy h MET 313 CO 0.58 0.80 -0.03 -0.84 0.00 0.00 0.00 176.91 177.42 1ymy h ILE 314 N 0.99 1.24 -0.61 -1.22 -0.00 -1.95 0.32 117.51 116.28 1ymy h ILE 314 Ca 0.25 -1.01 -0.03 0.00 -0.00 0.00 0.00 64.86 64.07 1ymy h ILE 314 Cb 0.11 0.93 -0.03 0.00 -0.00 0.00 0.00 36.82 37.83 1ymy h ILE 314 CO -0.03 0.35 0.27 -0.33 -0.00 0.00 0.00 178.15 178.41 1ymy h GLU 315 N 0.69 0.88 -0.39 0.16 5.08 -1.82 0.25 114.58 119.43 1ymy h GLU 315 Ca 0.13 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1ymy h GLU 315 Cb 0.47 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1ymy h GLU 315 CO 0.02 0.70 -0.19 0.78 -1.00 0.00 0.00 179.01 179.32 1ymy h GLY 316 N 0.97 0.88 0.95 -3.84 0.00 0.02 -1.01 103.07 101.03 1ymy h GLY 316 Ca 0.21 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1ymy h GLY 316 CO -0.02 0.72 0.17 -2.08 0.00 0.00 0.00 176.54 175.32 1ymy h VAL 317 N 0.61 1.20 -0.11 4.60 2.07 0.36 -1.68 116.25 123.31 1ymy h VAL 317 Ca 0.09 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.01 1ymy h VAL 317 Cb 0.74 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1ymy h VAL 317 CO 0.06 0.22 0.04 -0.09 0.02 0.00 0.00 177.57 177.82 1ymy h ARG 318 N 0.53 0.10 -0.66 1.57 2.43 -0.43 -1.71 114.38 116.20 1ymy h ARG 318 Ca 0.14 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1ymy h ARG 318 Cb 0.19 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1ymy h ARG 318 CO -0.01 0.06 0.41 -0.91 -1.51 0.00 0.00 179.97 178.02 1ymy h ASN 319 N 0.10 0.77 0.32 -3.80 2.35 -1.03 0.16 115.58 114.45 1ymy h ASN 319 Ca 0.04 -0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.62 1ymy h ASN 319 Cb 0.02 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1ymy h ASN 319 CO -0.04 0.58 -0.58 -0.07 -1.65 0.00 0.00 177.43 175.67 1ymy h LEU 320 N 0.90 0.29 0.16 1.61 3.38 -0.96 -1.39 115.31 119.30 1ymy h LEU 320 Ca 0.24 -0.16 -0.30 0.00 0.09 0.00 0.00 57.88 57.75 1ymy h LEU 320 Cb -0.07 -0.08 0.03 0.00 0.09 0.00 0.00 40.66 40.63 1ymy h LEU 320 CO -0.05 0.81 -1.26 0.58 0.09 0.00 0.00 178.44 178.61 1ymy h VAL 321 N 0.20 1.30 -0.23 1.22 2.07 -0.74 -2.86 116.25 117.21 1ymy h VAL 321 Ca -0.00 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.00 1ymy h VAL 321 Cb 1.07 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 1ymy h VAL 321 CO 0.09 0.76 0.00 -1.84 0.02 0.00 0.00 177.57 176.60 1ymy n GLU 322 N -3.82 2.31 0.00 1.57 0.28 -0.01 -3.98 120.64 116.99 1ymy n GLU 322 Ca -0.15 -1.95 0.00 0.00 -0.16 0.00 0.00 57.16 54.91 1ymy n GLU 322 Cb 1.00 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 32.38 1ymy n GLU 322 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1ymy n HIS 323 N 1.22 0.00 0.19 -1.84 8.25 -0.53 -4.81 115.22 117.71 1ymy n HIS 323 Ca 0.17 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.66 1ymy n HIS 323 Cb 0.56 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.68 1ymy n HIS 323 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ymy n GLY 325 N 0.27 -0.52 3.67 0.00 0.00 -1.23 -4.87 105.19 102.51 1ymy n GLY 325 Ca 0.03 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1ymy n GLY 325 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ymy s ILE 326 N -3.19 4.80 0.44 -0.61 1.01 -1.21 -5.06 121.20 117.38 1ymy s ILE 326 Ca 0.44 -0.04 -0.24 0.00 0.00 0.00 0.00 60.65 60.81 1ymy s ILE 326 Cb -0.21 -3.13 -0.09 0.00 0.01 0.00 0.00 42.46 39.04 1ymy s ILE 326 CO 0.54 0.50 1.17 0.00 0.00 0.00 0.00 174.94 177.15 1ymy n ALA 327 N 3.16 0.85 -0.16 9.38 0.00 -1.26 -4.38 120.51 128.10 1ymy n ALA 327 Ca -0.17 0.23 0.14 0.00 0.00 0.00 0.00 53.44 53.63 1ymy n ALA 327 Cb 0.53 -2.20 0.49 0.00 0.00 0.00 0.00 19.45 18.26 1ymy n ALA 327 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ymy h LEU 328 N 1.74 0.42 -0.00 0.00 5.85 -1.96 -1.12 115.31 120.24 1ymy h LEU 328 Ca -0.47 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.28 1ymy h LEU 328 Cb 1.31 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1ymy h LEU 328 CO 0.58 0.23 -0.04 0.44 -0.34 0.00 0.00 178.44 179.31 1ymy h ASP 329 N 0.45 -0.11 -0.44 1.25 3.45 -2.00 -1.32 116.42 117.70 1ymy h ASP 329 Ca 0.35 0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.72 1ymy h ASP 329 Cb 0.75 0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.55 1ymy h ASP 329 CO -0.12 -0.06 -0.16 -0.33 -1.57 0.00 0.00 179.24 177.01 1ymy h GLU 330 N -0.07 0.89 -0.17 3.56 4.39 -1.65 -2.89 114.58 118.63 1ymy h GLU 330 Ca 0.02 -0.36 0.04 0.00 0.34 0.00 0.00 59.36 59.39 1ymy h GLU 330 Cb 0.09 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1ymy h GLU 330 CO -0.04 1.01 -0.08 0.28 -1.16 0.00 0.00 179.01 179.02 1ymy h VAL 331 N 0.72 0.74 -0.78 3.13 2.07 -1.11 -0.37 116.25 120.65 1ymy h VAL 331 Ca 0.11 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.73 1ymy h VAL 331 Cb 0.71 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1ymy h VAL 331 CO 0.05 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 178.08 1ymy h LEU 332 N -0.06 0.59 -0.93 2.57 4.07 -1.19 0.17 115.31 120.54 1ymy h LEU 332 Ca 0.10 0.02 -0.10 0.00 0.08 0.00 0.00 57.88 57.98 1ymy h LEU 332 Cb 0.20 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1ymy h LEU 332 CO -0.21 0.34 -0.26 0.03 -1.08 0.00 0.00 178.44 177.25 1ymy h ARG 333 N 0.65 0.48 0.00 1.13 3.08 -1.00 -1.80 114.38 116.91 1ymy h ARG 333 Ca 0.37 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1ymy h ARG 333 Cb 0.54 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1ymy h ARG 333 CO -0.14 0.70 0.00 0.52 -1.07 0.00 0.00 179.97 179.98 1ymy h MET 334 N 0.42 0.00 -0.06 0.04 2.86 0.90 0.23 114.93 119.32 1ymy h MET 334 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1ymy h MET 334 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1ymy h MET 334 CO 0.05 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.02 1ymy n ALA 335 N -1.99 2.45 -1.00 6.32 0.00 -0.72 -0.76 120.51 124.82 1ymy n ALA 335 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1ymy n ALA 335 Cb 0.26 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1ymy n ALA 335 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ymy n THR 336 N 0.83 0.00 -0.13 0.00 -2.24 -0.74 -0.73 114.28 111.28 1ymy n THR 336 Ca 0.09 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.83 1ymy n THR 336 Cb 0.38 -0.01 0.04 0.00 -2.10 0.00 0.00 70.33 68.65 1ymy n THR 336 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1ymy h LEU 337 N 0.00 -0.03 -0.01 3.22 5.85 -1.50 -1.28 115.31 121.56 1ymy h LEU 337 Ca 0.00 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1ymy h LEU 337 Cb 0.00 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1ymy h LEU 337 CO 0.00 0.02 0.00 1.88 -0.34 0.00 0.00 178.44 180.00 1ymy h TYR 338 N 0.19 0.02 -0.35 1.25 0.05 -1.27 0.75 116.97 117.62 1ymy h TYR 338 Ca 0.21 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.00 1ymy h TYR 338 Cb 0.27 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 1ymy h TYR 338 CO -0.22 0.25 0.19 -1.35 -1.05 0.00 0.00 178.16 175.98 1ymy h PRO 339 N -0.21 0.38 -0.27 4.88 0.11 -1.73 0.17 132.00 135.33 1ymy h PRO 339 Ca 0.00 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.16 1ymy h PRO 339 Cb 0.24 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 31.19 1ymy h PRO 339 CO 0.00 0.25 -0.20 0.00 -0.21 0.00 0.00 178.00 177.84 1ymy h ALA 340 N 1.16 -0.02 -0.91 -0.75 0.00 -1.12 -0.10 119.26 117.52 1ymy h ALA 340 Ca 0.14 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1ymy h ALA 340 Cb 0.02 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1ymy h ALA 340 CO -0.08 -0.61 0.59 -0.09 0.00 0.00 0.00 179.25 179.07 1ymy h ARG 341 N -0.18 0.99 -0.39 0.00 9.65 -0.19 -2.27 114.38 121.99 1ymy h ARG 341 Ca 0.15 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.91 1ymy h ARG 341 Cb 0.41 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1ymy h ARG 341 CO -0.38 0.65 -0.01 0.00 2.80 0.00 0.00 179.97 183.03 1ymy h ALA 342 N 1.51 1.26 -0.50 2.80 0.00 0.12 -3.07 119.26 121.39 1ymy h ALA 342 Ca 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ymy h ALA 342 Cb 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ymy h ALA 342 CO -0.15 0.50 0.00 0.44 0.00 0.00 0.00 179.25 180.03 1ymy n ILE 343 N -4.25 1.78 -2.29 0.00 -5.35 -0.74 -4.98 119.36 103.54 1ymy n ILE 343 Ca 0.02 -1.31 -0.14 0.00 -0.27 0.00 0.00 62.75 61.04 1ymy n ILE 343 Cb 0.27 0.11 -0.00 0.00 -1.74 0.00 0.00 39.64 38.28 1ymy n ILE 343 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ymy n GLY 344 N 0.62 -0.20 0.30 3.28 0.00 -0.90 -4.91 105.19 103.38 1ymy n GLY 344 Ca 0.22 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.98 1ymy n GLY 344 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ymy n VAL 345 N -4.02 1.30 -0.22 1.61 0.24 -0.96 -4.76 118.33 111.53 1ymy n VAL 345 Ca -0.16 -1.32 0.13 0.00 -2.04 0.00 0.00 64.34 60.95 1ymy n VAL 345 Cb 0.62 0.29 0.43 0.00 -1.47 0.00 0.00 33.84 33.70 1ymy n VAL 345 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1ymy h GLU 346 N 0.78 0.57 -1.31 7.34 9.09 -1.88 -0.88 114.58 128.29 1ymy h GLU 346 Ca 0.00 -0.03 -0.05 0.00 0.05 0.00 0.00 59.36 59.32 1ymy h GLU 346 Cb 0.76 -0.13 -0.03 0.00 -1.65 0.00 0.00 28.75 27.70 1ymy h GLU 346 CO 0.03 0.38 0.07 0.36 0.05 0.00 0.00 179.01 179.89 1ymy n LYS 347 N -4.52 1.13 0.00 1.06 2.85 -1.26 -3.21 118.16 114.21 1ymy n LYS 347 Ca 0.15 -0.29 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 1ymy n LYS 347 Cb 0.47 -1.11 0.00 0.00 -0.65 0.00 0.00 35.03 33.73 1ymy n LYS 347 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1ymy n ARG 348 N 0.66 0.01 0.00 -1.58 0.63 -0.65 -4.90 116.66 110.84 1ymy n ARG 348 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1ymy n ARG 348 Cb 0.58 -0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.48 1ymy n ARG 348 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1ymy n LEU 349 N -0.29 0.00 0.25 6.15 4.77 -0.43 -0.98 117.00 126.48 1ymy n LEU 349 Ca 0.00 -0.03 0.09 0.00 -0.03 0.00 0.00 56.01 56.05 1ymy n LEU 349 Cb 0.00 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 41.75 1ymy n LEU 349 CO 0.00 0.00 0.99 1.23 -1.33 0.00 0.00 177.39 178.28 1ymy h GLY 350 N 0.00 0.00 -1.48 -0.72 0.00 -1.71 -3.46 103.07 95.70 1ymy h GLY 350 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 1ymy h GLY 350 CO 0.00 0.00 -0.38 -1.30 0.00 0.00 0.00 176.54 174.86 1ymy n THR 351 N -4.12 0.00 -3.41 4.70 -2.24 -1.26 -3.51 114.28 104.43 1ymy n THR 351 Ca -0.03 -1.99 -0.45 0.00 -2.27 0.00 0.00 64.05 59.32 1ymy n THR 351 Cb 0.18 0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 69.35 1ymy n THR 351 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ymy s LEU 352 N 0.00 6.46 0.06 3.22 1.02 -0.49 -4.85 118.68 124.11 1ymy s LEU 352 Ca 0.31 -2.72 -0.14 0.00 0.02 0.00 0.00 54.13 51.60 1ymy s LEU 352 Cb 0.02 -2.14 0.02 0.00 0.02 0.00 0.00 46.19 44.11 1ymy s LEU 352 CO 0.22 -0.53 0.32 0.00 0.02 0.00 0.00 176.35 176.38 1ymy s ALA 353 N 0.12 -0.71 -0.01 4.21 0.00 -1.26 -4.85 121.76 119.26 1ymy s ALA 353 Ca 0.18 -0.04 -0.38 0.00 0.00 0.00 0.00 51.96 51.72 1ymy s ALA 353 Cb -0.12 0.40 -0.16 0.00 0.00 0.00 0.00 23.12 23.23 1ymy s ALA 353 CO -0.08 -0.46 1.45 0.00 0.00 0.00 0.00 175.76 176.67 1ymy n ALA 354 N 0.38 -0.77 0.00 0.00 0.00 -1.25 -1.21 120.51 117.67 1ymy n ALA 354 Ca -0.18 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1ymy n ALA 354 Cb 0.60 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1ymy n ALA 354 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ymy n GLY 355 N 2.98 2.82 3.75 0.00 0.00 -0.47 -5.00 105.19 109.28 1ymy n GLY 355 Ca 0.21 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1ymy n GLY 355 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ymy s LYS 356 N 0.00 2.91 0.41 1.61 -0.14 -0.35 -4.68 119.74 119.51 1ymy s LYS 356 Ca 0.00 2.00 -0.26 0.00 -1.36 0.00 0.00 55.97 56.35 1ymy s LYS 356 Cb 0.00 -2.00 -0.10 0.00 -1.68 0.00 0.00 37.83 34.05 1ymy s LYS 356 CO 0.00 -1.30 1.39 0.28 -0.76 0.00 0.00 175.35 174.96 1ymy n VAL 357 N -1.51 2.46 -2.50 3.17 0.31 -0.15 -1.88 118.33 118.23 1ymy n VAL 357 Ca 0.13 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.53 1ymy n VAL 357 Cb 0.48 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1ymy n VAL 357 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ymy n ALA 358 N 0.00 4.46 -3.58 3.52 0.00 -0.12 -4.69 120.51 120.10 1ymy n ALA 358 Ca 0.04 -4.11 -0.35 0.00 0.00 0.00 0.00 53.44 49.02 1ymy n ALA 358 Cb 0.40 -3.25 -0.14 0.00 0.00 0.00 0.00 19.45 16.46 1ymy n ALA 358 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ymy s ASN 359 N 2.71 4.67 0.16 0.00 -0.87 -1.26 -0.80 114.94 119.55 1ymy s ASN 359 Ca 0.45 -0.96 0.01 0.00 -1.57 0.00 0.00 52.86 50.79 1ymy s ASN 359 Cb 0.05 -1.73 -0.04 0.00 -0.02 0.00 0.00 41.25 39.51 1ymy s ASN 359 CO 0.01 -0.18 0.02 -0.76 -2.57 0.00 0.00 177.10 173.61 1ymy s LEU 360 N 1.34 2.03 -0.04 0.60 1.02 0.16 -0.79 118.68 122.99 1ymy s LEU 360 Ca -0.01 -1.18 -0.09 0.00 0.02 0.00 0.00 54.13 52.87 1ymy s LEU 360 Cb -0.18 0.06 0.01 0.00 0.02 0.00 0.00 46.19 46.11 1ymy s LEU 360 CO -0.02 -0.62 0.20 0.28 0.02 0.00 0.00 176.35 176.22 1ymy s THR 361 N -3.78 0.04 -0.02 5.49 -1.32 0.70 0.78 115.64 117.53 1ymy s THR 361 Ca 0.23 -0.35 0.02 0.00 -1.21 0.00 0.00 61.69 60.39 1ymy s THR 361 Cb 0.07 -0.41 0.00 0.00 -1.51 0.00 0.00 72.50 70.65 1ymy s THR 361 CO 0.03 -0.19 -0.07 0.00 -2.21 0.00 0.00 174.62 172.17 1ymy s ALA 362 N -0.71 0.71 0.05 11.08 0.00 0.12 -0.50 121.76 132.51 1ymy s ALA 362 Ca -0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 1ymy s ALA 362 Cb -0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1ymy s ALA 362 CO 0.01 0.12 0.03 -0.59 0.00 0.00 0.00 175.76 175.34 1ymy s PHE 363 N 0.13 0.38 0.65 0.00 -0.12 -0.16 -0.23 117.98 118.63 1ymy s PHE 363 Ca -0.02 -0.84 -0.11 0.00 -0.05 0.00 0.00 56.93 55.92 1ymy s PHE 363 Cb -0.07 -0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.03 1ymy s PHE 363 CO 0.00 -0.39 1.05 0.95 -0.05 0.00 0.00 175.22 176.78 1ymy s THR 364 N -3.44 4.25 0.59 -4.49 -4.23 0.06 -0.05 115.64 108.32 1ymy s THR 364 Ca 0.02 0.70 0.29 0.00 -1.18 0.00 0.00 61.69 61.52 1ymy s THR 364 Cb 0.04 -3.72 0.37 0.00 1.34 0.00 0.00 72.50 70.53 1ymy s THR 364 CO -0.08 -0.94 2.03 -0.65 -0.54 0.00 0.00 174.62 174.44 1ymy h PRO 365 N -0.42 0.00 -0.45 3.99 0.11 -1.90 0.41 132.00 133.73 1ymy h PRO 365 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1ymy h PRO 365 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ymy h PRO 365 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 1ymy n ASP 366 N -3.74 1.93 -2.45 -2.05 5.75 -1.26 -4.92 116.55 109.81 1ymy n ASP 366 Ca 0.03 -2.10 -0.14 0.00 -0.01 0.00 0.00 54.79 52.57 1ymy n ASP 366 Cb 0.43 -0.30 0.05 0.00 -1.03 0.00 0.00 41.12 40.27 1ymy n ASP 366 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1ymy n PHE 367 N 0.32 -1.74 -4.65 2.11 3.72 0.14 -5.05 117.46 112.32 1ymy n PHE 367 Ca 0.10 0.63 -0.33 0.00 -0.05 0.00 0.00 57.45 57.80 1ymy n PHE 367 Cb 0.35 -3.60 -0.14 0.00 -0.94 0.00 0.00 39.48 35.16 1ymy n PHE 367 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1ymy s LYS 368 N -5.67 3.45 -0.04 -1.08 1.02 -1.24 -4.87 119.74 111.32 1ymy s LYS 368 Ca 0.31 -0.64 -0.30 0.00 0.02 0.00 0.00 55.97 55.36 1ymy s LYS 368 Cb -0.14 -2.71 -0.06 0.00 -0.52 0.00 0.00 37.83 34.40 1ymy s LYS 368 CO 0.46 0.20 1.67 0.42 -0.92 0.00 0.00 175.35 177.17 1ymy s ILE 369 N 0.41 3.53 -0.13 2.17 -1.09 -1.26 -0.76 121.20 124.06 1ymy s ILE 369 Ca -0.09 0.66 0.18 0.00 -2.23 0.00 0.00 60.65 59.18 1ymy s ILE 369 Cb -0.15 -3.43 -0.24 0.00 -1.58 0.00 0.00 42.46 37.06 1ymy s ILE 369 CO 0.05 -0.05 0.38 0.35 -1.23 0.00 0.00 174.94 174.43 1ymy n THR 370 N 5.42 1.12 -3.57 2.92 -2.24 0.68 -4.63 114.28 113.99 1ymy n THR 370 Ca 0.17 -0.75 -0.11 0.00 -2.27 0.00 0.00 64.05 61.09 1ymy n THR 370 Cb 0.43 -0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 68.10 1ymy n THR 370 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1ymy s LYS 371 N -2.78 0.65 -0.03 -0.78 -2.85 -0.97 -0.17 119.74 112.81 1ymy s LYS 371 Ca -0.07 0.20 0.03 0.00 -1.00 0.00 0.00 55.97 55.12 1ymy s LYS 371 Cb 0.08 0.31 -0.00 0.00 -2.06 0.00 0.00 37.83 36.16 1ymy s LYS 371 CO 0.84 -0.20 -0.12 0.99 0.10 0.00 0.00 175.35 176.96 1ymy s THR 372 N -1.02 1.01 -0.12 3.79 2.01 -1.02 0.15 115.64 120.44 1ymy s THR 372 Ca -0.03 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1ymy s THR 372 Cb -0.01 -0.87 0.02 0.00 0.01 0.00 0.00 72.50 71.65 1ymy s THR 372 CO 0.02 0.30 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.50 1ymy s ILE 373 N 0.06 1.39 -0.20 1.82 1.01 0.23 -1.04 121.20 124.48 1ymy s ILE 373 Ca -0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 1ymy s ILE 373 Cb -0.09 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1ymy s ILE 373 CO 0.01 0.43 -0.13 -0.69 0.00 0.00 0.00 174.94 174.55 1ymy s VAL 374 N 1.36 2.65 -1.42 2.92 1.01 -0.58 0.36 120.40 126.71 1ymy s VAL 374 Ca 0.01 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 1ymy s VAL 374 Cb -0.13 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.10 1ymy s VAL 374 CO -0.07 0.49 1.05 0.59 0.00 0.00 0.00 175.10 177.16 1ymy n ASN 375 N 4.68 -6.12 0.00 3.32 3.02 -0.45 -1.69 115.26 118.03 1ymy n ASN 375 Ca -0.20 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 1ymy n ASN 375 Cb 0.50 -4.85 0.00 0.00 -0.61 0.00 0.00 39.78 34.83 1ymy n ASN 375 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ymy n GLY 376 N -1.87 1.48 3.52 7.41 0.00 0.02 -3.89 105.19 111.85 1ymy n GLY 376 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1ymy n GLY 376 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ymy s ASN 377 N -3.21 5.29 0.20 1.61 0.02 -0.68 -4.91 114.94 113.25 1ymy s ASN 377 Ca 0.00 -0.09 -0.32 0.00 -1.02 0.00 0.00 52.86 51.43 1ymy s ASN 377 Cb 0.00 -1.93 -0.11 0.00 0.02 0.00 0.00 41.25 39.23 1ymy s ASN 377 CO 0.00 0.06 1.68 -0.70 0.02 0.00 0.00 177.10 178.17 1ymy s GLU 378 N 1.03 4.15 0.00 -0.60 2.56 -1.26 -1.52 118.70 123.05 1ymy s GLU 378 Ca 0.04 2.55 0.00 0.00 0.00 0.00 0.00 54.97 57.55 1ymy s GLU 378 Cb -0.14 -3.09 0.00 0.00 2.00 0.00 0.00 34.13 32.89 1ymy s GLU 378 CO 0.03 -0.72 0.00 1.55 -0.56 0.00 0.00 175.26 175.56 1ymy n VAL 379 N 3.98 0.00 -3.73 3.70 3.14 -0.20 -4.92 118.33 120.30 1ymy n VAL 379 Ca 0.15 -0.30 -0.15 0.00 -2.96 0.00 0.00 64.34 61.08 1ymy n VAL 379 Cb 0.36 0.95 -0.15 0.00 -1.06 0.00 0.00 33.84 33.93 1ymy n VAL 379 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1ymy s VAL 380 N -0.71 -0.11 -0.11 1.55 1.01 -1.14 -4.95 120.40 115.95 1ymy s VAL 380 Ca 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1ymy s VAL 380 Cb 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 36.38 36.20 1ymy s VAL 380 CO 0.00 0.11 -0.04 -0.89 0.00 0.00 0.00 175.10 174.28 1ymy s THR 381 N 1.50 0.79 0.00 3.92 2.01 -1.26 -2.43 115.64 120.17 1ymy s THR 381 Ca -0.05 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.74 1ymy s THR 381 Cb -0.12 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1ymy s THR 381 CO -0.05 0.26 0.13 0.00 -0.69 0.00 0.00 174.62 174.28