#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wkh h ARG 10 N 0.00 0.00 0.00 -2.67 3.08 -1.99 -2.05 114.38 110.75 1wkh h ARG 10 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1wkh h ARG 10 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1wkh h ARG 10 CO 0.00 0.05 -0.85 0.00 -1.07 0.00 0.00 179.97 178.10 1wkh h ALA 11 N 1.95 0.58 -0.12 0.04 0.00 -2.05 -1.93 119.26 117.73 1wkh h ALA 11 Ca -0.00 -0.73 -0.19 0.00 0.00 0.00 0.00 54.91 53.99 1wkh h ALA 11 Cb 0.30 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1wkh h ALA 11 CO 0.01 0.96 -0.66 -0.07 0.00 0.00 0.00 179.25 179.49 1wkh h LEU 12 N 0.06 0.78 0.12 0.00 3.38 -1.81 -1.18 115.31 116.65 1wkh h LEU 12 Ca -0.03 -0.64 -0.01 0.00 0.09 0.00 0.00 57.88 57.29 1wkh h LEU 12 Cb 1.48 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1wkh h LEU 12 CO 0.12 1.30 -0.06 0.25 0.09 0.00 0.00 178.44 180.15 1wkh h LEU 13 N 0.32 -0.13 -1.66 1.67 5.85 -1.45 0.33 115.31 120.24 1wkh h LEU 13 Ca -0.05 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1wkh h LEU 13 Cb 1.30 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1wkh h LEU 13 CO 0.14 -0.07 -0.19 -0.33 -0.34 0.00 0.00 178.44 177.65 1wkh h GLU 14 N -0.18 0.00 -0.15 1.25 5.08 -1.38 -0.42 114.58 118.79 1wkh h GLU 14 Ca -0.02 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 1wkh h GLU 14 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1wkh h GLU 14 CO 0.03 0.19 -0.68 0.00 -1.00 0.00 0.00 179.01 177.54 1wkh h ALA 15 N 1.81 0.52 -0.32 3.43 0.00 -0.78 -1.22 119.26 122.71 1wkh h ALA 15 Ca -0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 1wkh h ALA 15 Cb 0.35 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1wkh h ALA 15 CO 0.02 0.71 -0.17 1.49 0.00 0.00 0.00 179.25 181.31 1wkh h GLU 16 N 0.43 0.68 -0.46 0.00 4.81 -0.15 -1.27 114.58 118.62 1wkh h GLU 16 Ca -0.02 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 1wkh h GLU 16 Cb 1.27 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 1wkh h GLU 16 CO 0.13 0.90 0.17 0.87 -0.73 0.00 0.00 179.01 180.35 1wkh h LYS 17 N 0.44 0.70 -0.07 1.92 1.79 -1.08 -2.48 116.57 117.80 1wkh h LYS 17 Ca 0.07 -0.13 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1wkh h LYS 17 Cb 0.71 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1wkh h LYS 17 CO 0.05 0.65 -0.07 1.15 -1.08 0.00 0.00 179.45 180.15 1wkh h THR 18 N 0.61 1.36 0.00 -0.16 2.02 -1.20 -3.31 112.91 112.22 1wkh h THR 18 Ca 0.15 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1wkh h THR 18 Cb 0.22 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1wkh h THR 18 CO -0.01 0.33 -0.07 0.18 0.37 0.00 0.00 175.52 176.32 1wkh n LEU 19 N -4.72 0.09 -4.76 2.58 4.77 -0.49 -4.88 117.00 109.60 1wkh n LEU 19 Ca -0.07 0.43 -0.34 0.00 -0.03 0.00 0.00 56.01 56.00 1wkh n LEU 19 Cb 0.30 -0.46 0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1wkh n LEU 19 CO 0.36 0.01 0.77 -0.62 -1.33 0.00 0.00 177.39 176.59 1wkh s ASP 20 N -3.03 5.06 0.55 -1.43 2.15 -0.93 -4.89 116.67 114.15 1wkh s ASP 20 Ca 0.13 2.14 0.23 0.00 0.43 0.00 0.00 52.55 55.49 1wkh s ASP 20 Cb 0.19 -2.57 1.52 0.00 -0.30 0.00 0.00 42.92 41.76 1wkh s ASP 20 CO 0.56 -1.67 2.16 0.77 -0.17 0.00 0.00 175.17 176.82 1wkh h SER 21 N 0.28 0.00 0.00 -0.34 4.64 -1.91 -3.46 113.55 112.76 1wkh h SER 21 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1wkh h SER 21 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1wkh h SER 21 CO 0.54 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 1wkh n GLY 22 N -1.46 0.27 0.17 -0.77 0.00 -1.26 -4.96 105.19 97.18 1wkh n GLY 22 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1wkh n GLY 22 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1wkh h VAL 23 N 0.00 0.00 -2.69 1.61 3.04 -2.01 -3.44 116.25 112.76 1wkh h VAL 23 Ca 0.00 -0.17 -0.57 0.00 -1.01 0.00 0.00 66.70 64.95 1wkh h VAL 23 Cb 0.00 0.86 -0.07 0.00 -2.01 0.00 0.00 31.29 30.07 1wkh h VAL 23 CO 0.00 0.00 -0.57 -0.31 -1.01 0.00 0.00 177.57 175.68 1wkh s TYR 24 N -3.48 3.12 -0.62 3.17 1.51 -1.26 -5.07 117.35 114.73 1wkh s TYR 24 Ca 0.01 -0.03 -0.17 0.00 -1.01 0.00 0.00 57.07 55.87 1wkh s TYR 24 Cb 0.08 -1.49 0.13 0.00 -0.11 0.00 0.00 41.96 40.57 1wkh s TYR 24 CO 0.34 0.52 0.64 1.21 -1.11 0.00 0.00 175.55 177.16 1wkh s ASN 25 N -3.13 6.29 -0.00 2.29 3.04 -1.26 -5.04 114.94 117.13 1wkh s ASN 25 Ca 0.31 -1.81 -0.26 0.00 0.04 0.00 0.00 52.86 51.14 1wkh s ASN 25 Cb -0.10 -2.25 -0.04 0.00 -1.54 0.00 0.00 41.25 37.32 1wkh s ASN 25 CO 0.23 -0.92 0.79 -0.54 -3.04 0.00 0.00 177.10 173.62 1wkh s LYS 26 N 1.82 4.49 0.51 0.43 1.02 -1.26 -5.05 119.74 121.71 1wkh s LYS 26 Ca 0.10 1.08 -0.17 0.00 0.02 0.00 0.00 55.97 56.99 1wkh s LYS 26 Cb -0.24 -3.42 -0.08 0.00 -0.52 0.00 0.00 37.83 33.58 1wkh s LYS 26 CO 0.02 0.13 1.00 -1.01 -0.92 0.00 0.00 175.35 174.56 1wkh s HIS 27 N 0.49 3.33 -1.36 3.18 3.76 -1.26 -4.96 115.29 118.47 1wkh s HIS 27 Ca 0.41 1.50 -0.16 0.00 -0.15 0.00 0.00 55.06 56.66 1wkh s HIS 27 Cb -0.20 -2.85 0.06 0.00 1.11 0.00 0.00 32.58 30.71 1wkh s HIS 27 CO 0.22 -0.48 1.91 -0.25 -0.85 0.00 0.00 174.74 175.30 1wkh n ASP 28 N -1.48 4.56 -3.61 1.40 8.00 -1.26 -4.83 116.55 119.33 1wkh n ASP 28 Ca 0.07 -2.90 -0.03 0.00 0.71 0.00 0.00 54.79 52.64 1wkh n ASP 28 Cb 0.54 -1.71 -0.02 0.00 -0.02 0.00 0.00 41.12 39.91 1wkh n ASP 28 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1wkh s LEU 29 N 3.34 -0.10 -0.21 0.64 2.34 -1.26 -5.15 118.68 118.28 1wkh s LEU 29 Ca 0.51 -0.01 -0.00 0.00 0.06 0.00 0.00 54.13 54.69 1wkh s LEU 29 Cb 0.08 1.30 0.05 0.00 -0.56 0.00 0.00 46.19 47.06 1wkh s LEU 29 CO 0.01 -0.18 -0.05 -0.22 -1.06 0.00 0.00 176.35 174.85 1wkh s LEU 30 N -2.19 2.09 -0.23 1.48 2.96 -1.26 -5.05 118.68 116.48 1wkh s LEU 30 Ca 0.10 -0.95 -0.21 0.00 -0.22 0.00 0.00 54.13 52.85 1wkh s LEU 30 Cb -0.01 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.62 1wkh s LEU 30 CO -0.04 -0.22 0.67 -0.63 -1.32 0.00 0.00 176.35 174.81 1wkh s ILE 31 N 1.52 4.96 -0.08 6.68 -1.09 -1.26 -0.08 121.20 131.85 1wkh s ILE 31 Ca -0.03 1.24 0.12 0.00 -2.23 0.00 0.00 60.65 59.75 1wkh s ILE 31 Cb -0.17 -3.98 -0.17 0.00 -1.58 0.00 0.00 42.46 36.56 1wkh s ILE 31 CO -0.07 0.03 0.13 1.33 -1.23 0.00 0.00 174.94 175.13 1wkh n VAL 32 N 5.05 0.53 -3.93 2.92 0.24 -0.38 -4.95 118.33 117.81 1wkh n VAL 32 Ca 0.00 -0.43 -0.09 0.00 -2.04 0.00 0.00 64.34 61.78 1wkh n VAL 32 Cb 0.49 -0.36 -0.07 0.00 -1.47 0.00 0.00 33.84 32.42 1wkh n VAL 32 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1wkh s ARG 33 N -2.51 0.97 -0.19 7.34 3.00 -1.24 -5.01 118.95 121.31 1wkh s ARG 33 Ca -0.06 -1.09 -0.18 0.00 0.00 0.00 0.00 55.73 54.41 1wkh s ARG 33 Cb 0.05 0.35 0.05 0.00 0.00 0.00 0.00 34.95 35.40 1wkh s ARG 33 CO 0.51 -0.33 0.51 0.20 0.00 0.00 0.00 175.30 176.19 1wkh s GLY 34 N -2.92 -0.38 -0.15 -3.53 0.00 -1.26 -1.46 107.32 97.62 1wkh s GLY 34 Ca 0.11 1.44 -0.04 0.00 0.00 0.00 0.00 44.72 46.22 1wkh s GLY 34 CO -0.06 1.24 0.26 1.62 0.00 0.00 0.00 173.10 176.17 1wkh s GLN 35 N 0.28 0.17 7.03 2.90 2.00 -0.19 -3.97 119.66 127.88 1wkh s GLN 35 Ca -0.00 0.65 0.00 0.00 -2.00 0.00 0.00 55.36 54.01 1wkh s GLN 35 Cb -0.04 -0.25 0.00 0.00 0.80 0.00 0.00 33.01 33.52 1wkh s GLN 35 CO 0.01 -0.37 0.00 0.41 -0.50 0.00 0.00 175.29 174.84 1wkh n GLY 36 N 5.35 2.00 1.43 2.59 0.00 0.10 -2.18 105.19 114.48 1wkh n GLY 36 Ca -0.06 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.66 1wkh n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkh n ALA 37 N 11.03 2.99 -2.55 4.61 0.00 -1.26 -1.22 120.51 134.10 1wkh n ALA 37 Ca 0.00 -1.38 -0.30 0.00 0.00 0.00 0.00 53.44 51.76 1wkh n ALA 37 Cb 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.32 1wkh n ALA 37 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wkh s ARG 38 N -1.76 2.13 0.06 0.00 1.81 -0.93 -0.48 118.95 119.79 1wkh s ARG 38 Ca 0.45 -1.00 -0.01 0.00 -1.72 0.00 0.00 55.73 53.45 1wkh s ARG 38 Cb 0.29 -2.29 -0.04 0.00 -0.45 0.00 0.00 34.95 32.46 1wkh s ARG 38 CO 0.23 0.52 -0.00 0.14 -0.68 0.00 0.00 175.30 175.50 1wkh s VAL 39 N -1.14 0.20 0.04 3.52 -7.23 -1.02 -1.02 120.40 113.74 1wkh s VAL 39 Ca 0.20 -1.79 0.05 0.00 -1.81 0.00 0.00 61.98 58.64 1wkh s VAL 39 Cb -0.11 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 1wkh s VAL 39 CO 0.11 -0.90 -0.16 0.26 -0.31 0.00 0.00 175.10 174.11 1wkh s TRP 40 N -3.94 1.37 0.57 2.82 0.51 -0.54 -0.63 118.94 119.10 1wkh s TRP 40 Ca 0.09 -0.36 0.02 0.00 -2.12 0.00 0.00 56.10 53.73 1wkh s TRP 40 Cb 0.08 -0.81 0.05 0.00 -0.81 0.00 0.00 33.47 31.98 1wkh s TRP 40 CO -0.08 0.05 0.79 0.16 -0.51 0.00 0.00 176.95 177.36 1wkh s ASP 41 N -1.19 5.15 0.03 2.95 1.47 -0.43 -1.24 116.67 123.40 1wkh s ASP 41 Ca 0.03 -0.17 0.02 0.00 1.18 0.00 0.00 52.55 53.61 1wkh s ASP 41 Cb -0.08 -0.63 0.11 0.00 -0.34 0.00 0.00 42.92 41.98 1wkh s ASP 41 CO 0.01 -1.23 1.07 0.00 0.68 0.00 0.00 175.17 175.70 1wkh n ALA 42 N -2.37 1.03 0.95 2.11 0.00 0.88 -1.34 120.51 121.77 1wkh n ALA 42 Ca 0.10 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.66 1wkh n ALA 42 Cb 0.60 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 19.01 1wkh n ALA 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wkh n GLU 43 N -1.56 1.33 0.00 0.00 1.02 -1.26 -4.97 120.64 115.20 1wkh n GLU 43 Ca 0.00 -1.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.14 1wkh n GLU 43 Cb 0.01 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1wkh n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wkh n GLY 44 N 1.37 0.44 3.74 0.62 0.00 -0.45 -5.07 105.19 105.84 1wkh n GLY 44 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1wkh n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wkh s ASN 45 N -2.36 6.78 -0.19 1.61 0.01 -1.26 -4.79 114.94 114.73 1wkh s ASN 45 Ca 0.00 2.51 -0.08 0.00 -0.71 0.00 0.00 52.86 54.58 1wkh s ASN 45 Cb 0.00 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 1wkh s ASN 45 CO 0.00 -0.63 0.07 -0.70 -1.51 0.00 0.00 177.10 174.34 1wkh s GLU 46 N 0.01 3.95 0.25 -0.60 2.12 -1.26 -1.31 118.70 121.85 1wkh s GLU 46 Ca 0.59 -0.35 0.10 0.00 0.36 0.00 0.00 54.97 55.68 1wkh s GLU 46 Cb -0.39 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 1wkh s GLU 46 CO 0.39 0.20 -0.12 0.71 -0.54 0.00 0.00 175.26 175.90 1wkh s TYR 47 N 0.57 2.50 -0.24 5.30 1.51 0.20 -4.90 117.35 122.28 1wkh s TYR 47 Ca 0.04 -0.27 -0.16 0.00 -1.01 0.00 0.00 57.07 55.66 1wkh s TYR 47 Cb -0.13 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 1wkh s TYR 47 CO 0.01 0.62 0.42 0.42 -1.11 0.00 0.00 175.55 175.91 1wkh s ILE 48 N -2.20 5.15 -0.51 2.71 1.01 -0.48 -2.44 121.20 124.45 1wkh s ILE 48 Ca 0.28 0.71 -0.17 0.00 0.00 0.00 0.00 60.65 61.48 1wkh s ILE 48 Cb -0.07 -3.75 0.09 0.00 0.01 0.00 0.00 42.46 38.75 1wkh s ILE 48 CO 0.16 0.17 0.50 -0.62 0.00 0.00 0.00 174.94 175.15 1wkh s ASP 49 N 1.40 6.18 -0.10 3.58 2.15 0.37 -1.27 116.67 128.98 1wkh s ASP 49 Ca 0.18 -1.40 0.17 0.00 0.43 0.00 0.00 52.55 51.93 1wkh s ASP 49 Cb -0.15 -2.22 0.62 0.00 -0.30 0.00 0.00 42.92 40.86 1wkh s ASP 49 CO 0.09 -0.80 1.53 0.00 -0.17 0.00 0.00 175.17 175.82 1wkh n VAL 51 N 0.78 1.31 -4.22 0.00 0.31 -1.21 0.29 118.33 115.60 1wkh n VAL 51 Ca 0.23 -0.40 -0.30 0.00 -0.01 0.00 0.00 64.34 63.86 1wkh n VAL 51 Cb 0.80 -1.63 -0.07 0.00 -0.91 0.00 0.00 33.84 32.02 1wkh n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wkh n GLY 52 N 1.83 -0.19 3.21 2.92 0.00 -1.26 -0.05 105.19 111.66 1wkh n GLY 52 Ca -0.45 0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 1wkh n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkh n GLY 53 N -2.42 -0.52 2.85 -0.02 0.00 -1.26 -0.77 105.19 103.05 1wkh n GLY 53 Ca -0.31 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1wkh n GLY 53 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wkh n TYR 54 N -4.56 -1.69 -1.04 1.61 4.01 0.93 -3.45 117.16 112.97 1wkh n TYR 54 Ca -0.07 0.71 -0.01 0.00 -0.16 0.00 0.00 57.90 58.36 1wkh n TYR 54 Cb 0.60 -4.29 -0.01 0.00 -0.31 0.00 0.00 39.34 35.33 1wkh n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wkh n GLY 55 N -1.12 0.51 0.13 2.72 0.00 -0.81 -4.94 105.19 101.68 1wkh n GLY 55 Ca -0.20 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 44.81 1wkh n GLY 55 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wkh h VAL 56 N 0.00 0.74 -0.27 1.61 2.07 -0.98 -3.28 116.25 116.15 1wkh h VAL 56 Ca -0.03 -2.46 -0.22 0.00 0.82 0.00 0.00 66.70 64.81 1wkh h VAL 56 Cb 0.11 2.54 -0.08 0.00 -1.52 0.00 0.00 31.29 32.34 1wkh h VAL 56 CO 0.04 0.82 -0.04 0.00 0.02 0.00 0.00 177.57 178.41 1wkh n ALA 57 N -2.88 5.66 -0.24 1.67 0.00 -0.68 -3.60 120.51 120.44 1wkh n ALA 57 Ca -0.27 -1.60 -0.00 0.00 0.00 0.00 0.00 53.44 51.57 1wkh n ALA 57 Cb 1.05 -1.85 0.22 0.00 0.00 0.00 0.00 19.45 18.88 1wkh n ALA 57 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1wkh h ASN 58 N 2.32 0.90 0.68 0.00 4.21 -1.87 -1.66 115.58 120.17 1wkh h ASN 58 Ca 0.20 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.67 1wkh h ASN 58 Cb 1.16 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 38.14 1wkh h ASN 58 CO 0.37 0.67 -0.00 0.18 -1.29 0.00 0.00 177.43 177.35 1wkh n LEU 59 N -4.41 0.01 0.00 1.61 4.77 -1.26 -1.45 117.00 116.27 1wkh n LEU 59 Ca 0.08 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1wkh n LEU 59 Cb 0.04 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1wkh n LEU 59 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1wkh n GLY 60 N 1.34 1.92 3.74 -0.72 0.00 -0.62 -4.63 105.19 106.21 1wkh n GLY 60 Ca 0.12 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1wkh n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wkh s HIS 61 N -1.55 2.87 -0.68 1.61 3.76 -0.36 -2.33 115.29 118.61 1wkh s HIS 61 Ca 0.00 0.65 0.00 0.00 -0.15 0.00 0.00 55.06 55.56 1wkh s HIS 61 Cb 0.00 -4.05 0.00 0.00 1.11 0.00 0.00 32.58 29.64 1wkh s HIS 61 CO 0.00 -3.70 0.00 0.41 -0.85 0.00 0.00 174.74 170.60 1wkh n GLY 62 N 2.96 0.86 3.48 -2.22 0.00 -1.25 0.00 105.19 109.01 1wkh n GLY 62 Ca 0.11 -0.55 -0.59 0.00 0.00 0.00 0.00 46.02 44.99 1wkh n GLY 62 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wkh n ASN 63 N 0.50 1.43 -0.19 1.61 2.85 -0.98 -4.82 115.26 115.65 1wkh n ASN 63 Ca -0.06 0.80 -0.04 0.00 -0.11 0.00 0.00 54.58 55.17 1wkh n ASN 63 Cb 0.25 -1.02 0.03 0.00 1.24 0.00 0.00 39.78 40.28 1wkh n ASN 63 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1wkh h PRO 64 N 8.59 -0.11 -0.54 1.20 0.11 -1.92 -0.93 132.00 138.40 1wkh h PRO 64 Ca -0.27 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1wkh h PRO 64 Cb 1.37 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.48 1wkh h PRO 64 CO 1.03 -0.07 0.33 0.93 -0.21 0.00 0.00 178.00 180.01 1wkh h GLU 65 N -0.11 0.73 -0.23 1.05 3.07 -1.96 -0.65 114.58 116.48 1wkh h GLU 65 Ca 0.25 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 59.00 1wkh h GLU 65 Cb 0.51 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1wkh h GLU 65 CO -0.64 0.52 -0.05 0.28 -1.40 0.00 0.00 179.01 177.73 1wkh h VAL 66 N 0.73 1.28 -0.72 3.13 2.07 -1.78 -1.41 116.25 119.56 1wkh h VAL 66 Ca 0.20 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.74 1wkh h VAL 66 Cb -0.03 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1wkh h VAL 66 CO -0.04 0.32 0.43 0.58 0.02 0.00 0.00 177.57 178.88 1wkh h VAL 67 N 0.18 1.04 -0.17 2.57 2.07 -1.06 0.26 116.25 121.14 1wkh h VAL 67 Ca 0.06 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1wkh h VAL 67 Cb 0.50 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1wkh h VAL 67 CO 0.02 0.15 0.07 -0.08 0.02 0.00 0.00 177.57 177.75 1wkh h GLU 68 N 0.81 0.26 -0.55 1.57 4.57 -1.00 -0.85 114.58 119.39 1wkh h GLU 68 Ca 0.30 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1wkh h GLU 68 Cb 0.11 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1wkh h GLU 68 CO -0.15 0.33 0.35 0.00 -1.18 0.00 0.00 179.01 178.36 1wkh h ALA 69 N 0.92 1.58 -0.18 2.92 0.00 -0.74 -1.34 119.26 122.42 1wkh h ALA 69 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1wkh h ALA 69 Cb 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1wkh h ALA 69 CO -0.01 0.38 -0.10 0.28 0.00 0.00 0.00 179.25 179.80 1wkh h VAL 70 N 0.74 1.31 -0.27 0.00 2.07 -0.63 -2.07 116.25 117.41 1wkh h VAL 70 Ca 0.20 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1wkh h VAL 70 Cb -0.06 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1wkh h VAL 70 CO -0.04 0.35 0.17 0.11 0.02 0.00 0.00 177.57 178.18 1wkh h LYS 71 N 0.07 0.36 -0.45 1.57 1.57 -0.70 -0.73 116.57 118.25 1wkh h LYS 71 Ca 0.04 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1wkh h LYS 71 Cb 0.59 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1wkh h LYS 71 CO 0.03 0.26 0.03 0.00 -0.57 0.00 0.00 179.45 179.19 1wkh h ARG 72 N 0.35 0.78 -0.08 3.15 2.47 -1.29 -2.94 114.38 116.82 1wkh h ARG 72 Ca 0.10 -0.24 -0.12 0.00 -1.26 0.00 0.00 59.98 58.46 1wkh h ARG 72 Cb -0.02 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.21 1wkh h ARG 72 CO -0.02 0.83 -0.49 0.37 0.56 0.00 0.00 179.97 181.22 1wkh h GLN 73 N 0.64 0.22 -0.25 0.04 5.75 -1.31 -2.74 115.11 117.45 1wkh h GLN 73 Ca 0.13 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1wkh h GLN 73 Cb 0.46 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 1wkh h GLN 73 CO 0.02 0.66 0.11 0.00 -2.65 0.00 0.00 178.83 176.97 1wkh h ALA 74 N 1.32 1.73 0.00 3.38 0.00 -0.96 -0.55 119.26 124.17 1wkh h ALA 74 Ca 0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1wkh h ALA 74 Cb 0.93 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1wkh h ALA 74 CO 0.07 0.23 -0.69 0.93 0.00 0.00 0.00 179.25 179.79 1wkh h GLU 75 N 0.35 0.00 0.00 0.00 5.08 -1.33 -3.39 114.58 115.28 1wkh h GLU 75 Ca 0.09 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.28 1wkh h GLU 75 Cb 0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1wkh h GLU 75 CO -0.01 0.68 -0.98 1.15 -1.00 0.00 0.00 179.01 178.85 1wkh h THR 76 N 0.00 0.90 -1.35 1.13 2.02 -1.07 -3.50 112.91 111.04 1wkh h THR 76 Ca -0.01 -2.04 0.14 0.00 0.77 0.00 0.00 66.41 65.28 1wkh h THR 76 Cb 1.53 2.06 -0.29 0.00 -1.74 0.00 0.00 68.15 69.70 1wkh h THR 76 CO 0.09 0.31 0.56 -0.22 0.37 0.00 0.00 175.52 176.63 1wkh s LEU 77 N -7.97 -0.31 0.00 2.58 2.96 -0.29 -5.07 118.68 110.58 1wkh s LEU 77 Ca -0.25 0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 1wkh s LEU 77 Cb 0.04 1.49 0.00 0.00 0.50 0.00 0.00 46.19 48.22 1wkh s LEU 77 CO 0.55 -0.08 0.00 0.23 -1.32 0.00 0.00 176.35 175.72 1wkh n MET 78 N 3.03 1.99 -3.99 1.98 2.81 -1.26 -4.16 117.12 117.52 1wkh n MET 78 Ca -0.16 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.42 1wkh n MET 78 Cb 0.57 -0.85 -0.15 0.00 -0.71 0.00 0.00 33.22 32.08 1wkh n MET 78 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wkh s ALA 79 N -1.43 2.45 -0.21 3.04 0.00 -1.26 -4.30 121.76 120.05 1wkh s ALA 79 Ca 0.00 -1.93 -0.07 0.00 0.00 0.00 0.00 51.96 49.95 1wkh s ALA 79 Cb 0.00 -1.69 0.09 0.00 0.00 0.00 0.00 23.12 21.52 1wkh s ALA 79 CO 0.00 -1.41 0.44 1.41 0.00 0.00 0.00 175.76 176.20 1wkh s MET 80 N 1.15 0.35 0.88 0.00 1.75 -1.26 -5.05 119.30 117.11 1wkh s MET 80 Ca 0.01 1.06 -0.11 0.00 -1.25 0.00 0.00 55.69 55.39 1wkh s MET 80 Cb -0.19 0.36 0.12 0.00 2.84 0.00 0.00 34.83 37.96 1wkh s MET 80 CO -0.08 -0.24 1.09 -1.25 -0.65 0.00 0.00 175.02 173.89 1wkh s PRO 81 N 2.57 1.41 0.60 4.11 0.04 -1.26 -4.52 135.00 137.95 1wkh s PRO 81 Ca -0.03 0.81 0.34 0.00 0.04 0.00 0.00 61.00 62.16 1wkh s PRO 81 Cb -0.12 -1.83 1.91 0.00 0.04 0.00 0.00 34.50 34.50 1wkh s PRO 81 CO -0.13 -2.13 2.24 1.96 0.04 0.00 0.00 177.00 178.98 1wkh h GLN 82 N -1.47 0.00 0.00 4.56 1.08 -1.87 -1.09 115.11 116.33 1wkh h GLN 82 Ca -0.49 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1wkh h GLN 82 Cb 1.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 1wkh h GLN 82 CO 0.55 0.03 0.00 0.25 -0.95 0.00 0.00 178.83 178.71 1wkh n THR 83 N -3.53 0.19 -3.97 -0.54 -2.24 -1.26 -4.42 114.28 98.51 1wkh n THR 83 Ca -0.03 0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 1wkh n THR 83 Cb 0.12 -0.58 -0.15 0.00 -2.10 0.00 0.00 70.33 67.62 1wkh n THR 83 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wkh s LEU 84 N -3.13 4.41 0.33 3.22 1.43 -0.41 -5.10 118.68 119.43 1wkh s LEU 84 Ca 0.13 -2.49 -0.25 0.00 -1.03 0.00 0.00 54.13 50.49 1wkh s LEU 84 Cb 0.17 -1.58 -0.14 0.00 0.03 0.00 0.00 46.19 44.67 1wkh s LEU 84 CO 0.50 -0.32 0.71 -2.65 0.23 0.00 0.00 176.35 174.81 1wkh n PRO 85 N 3.81 0.73 -3.77 1.29 -0.02 -1.26 -4.60 135.00 131.18 1wkh n PRO 85 Ca 0.04 0.26 -0.13 0.00 -2.02 0.00 0.00 63.50 61.65 1wkh n PRO 85 Cb 0.38 -1.53 -0.14 0.00 -0.02 0.00 0.00 33.50 32.19 1wkh n PRO 85 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1wkh s THR 86 N -1.23 -0.04 0.28 3.45 -1.32 -1.26 -5.09 115.64 110.44 1wkh s THR 86 Ca 0.62 0.14 -0.04 0.00 -1.21 0.00 0.00 61.69 61.20 1wkh s THR 86 Cb -0.70 -0.19 0.39 0.00 -1.51 0.00 0.00 72.50 70.49 1wkh s THR 86 CO 0.58 0.06 1.58 1.55 -2.21 0.00 0.00 174.62 176.18 1wkh h PRO 87 N 6.93 0.02 0.00 7.08 0.13 -2.01 -0.50 132.00 143.65 1wkh h PRO 87 Ca -0.39 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1wkh h PRO 87 Cb 1.15 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1wkh h PRO 87 CO 0.44 0.02 -0.11 0.52 -0.23 0.00 0.00 178.00 178.64 1wkh h MET 88 N 0.02 0.00 0.08 0.86 2.86 -1.95 -1.35 114.93 115.45 1wkh h MET 88 Ca 0.51 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.15 1wkh h MET 88 Cb 0.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.61 1wkh h MET 88 CO -0.89 0.11 -0.04 -0.09 1.06 0.00 0.00 176.91 177.06 1wkh h ARG 89 N 0.00 -0.10 -0.95 1.72 2.43 -1.40 -0.44 114.38 115.64 1wkh h ARG 89 Ca -0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1wkh h ARG 89 Cb 0.26 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 1wkh h ARG 89 CO 0.01 0.35 0.63 0.78 -1.51 0.00 0.00 179.97 180.23 1wkh h GLY 90 N -0.59 1.34 1.25 2.80 0.00 -1.43 -0.58 103.07 105.86 1wkh h GLY 90 Ca -0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 1wkh h GLY 90 CO 0.02 0.49 0.18 -2.09 0.00 0.00 0.00 176.54 175.13 1wkh h GLU 91 N 1.29 0.94 -0.34 4.80 4.57 -1.18 -1.44 114.58 123.23 1wkh h GLU 91 Ca 0.35 -0.19 -0.13 0.00 -1.18 0.00 0.00 59.36 58.21 1wkh h GLU 91 Cb -0.14 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.30 1wkh h GLU 91 CO -0.08 0.82 -0.30 0.35 -1.18 0.00 0.00 179.01 178.62 1wkh h PHE 92 N 0.91 0.96 0.00 0.92 3.57 -0.44 -0.91 116.94 121.95 1wkh h PHE 92 Ca 0.20 -0.28 0.02 0.00 3.53 0.00 0.00 57.97 61.44 1wkh h PHE 92 Cb 0.28 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1wkh h PHE 92 CO 0.02 1.06 -0.12 1.88 -2.23 0.00 0.00 178.31 178.91 1wkh h TYR 93 N 0.58 -0.31 0.00 0.41 -1.99 -0.77 -0.52 116.97 114.37 1wkh h TYR 93 Ca 0.06 0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.72 1wkh h TYR 93 Cb 0.88 0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.74 1wkh h TYR 93 CO 0.07 -0.18 -0.37 0.07 -0.00 0.00 0.00 178.16 177.75 1wkh h ARG 94 N -0.21 0.00 -0.05 4.88 0.11 -1.27 -2.44 114.38 115.40 1wkh h ARG 94 Ca 0.04 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.87 1wkh h ARG 94 Cb 0.26 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.36 1wkh h ARG 94 CO -0.12 0.37 -0.95 1.15 0.10 0.00 0.00 179.97 180.52 1wkh h THR 95 N 0.00 1.28 -0.05 0.08 2.02 -0.87 -2.73 112.91 112.65 1wkh h THR 95 Ca -0.00 -2.16 -0.21 0.00 0.77 0.00 0.00 66.41 64.80 1wkh h THR 95 Cb 1.02 2.24 0.01 0.00 -1.74 0.00 0.00 68.15 69.69 1wkh h THR 95 CO 0.05 0.67 -0.80 0.25 0.37 0.00 0.00 175.52 176.06 1wkh h LEU 96 N 0.44 0.79 -1.02 2.58 5.85 -1.12 -3.22 115.31 119.61 1wkh h LEU 96 Ca -0.10 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 57.91 1wkh h LEU 96 Cb 1.59 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1wkh h LEU 96 CO 0.19 1.39 0.00 0.71 -0.34 0.00 0.00 178.44 180.38 1wkh h THR 97 N 0.27 0.00 0.00 1.05 1.35 -1.55 -2.95 112.91 111.09 1wkh h THR 97 Ca -0.09 -0.50 -0.04 0.00 -0.55 0.00 0.00 66.41 65.23 1wkh h THR 97 Cb 1.47 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 69.32 1wkh h THR 97 CO 0.16 0.00 -0.19 0.00 -0.25 0.00 0.00 175.52 175.24 1wkh h ALA 98 N 2.09 0.91 -0.58 6.62 0.00 -1.49 -3.04 119.26 123.78 1wkh h ALA 98 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wkh h ALA 98 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wkh h ALA 98 CO 0.00 0.24 0.00 0.44 0.00 0.00 0.00 179.25 179.93 1wkh n ILE 99 N -3.20 2.08 -4.36 0.00 -5.35 -1.11 -4.94 119.36 102.47 1wkh n ILE 99 Ca 0.02 -1.31 -0.20 0.00 -0.27 0.00 0.00 62.75 60.99 1wkh n ILE 99 Cb 0.54 0.01 -0.10 0.00 -1.74 0.00 0.00 39.64 38.34 1wkh n ILE 99 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1wkh s LEU 100 N -2.13 2.54 0.27 7.28 1.43 -1.15 -5.03 118.68 121.89 1wkh s LEU 100 Ca 0.50 -0.99 -0.30 0.00 -1.03 0.00 0.00 54.13 52.32 1wkh s LEU 100 Cb 0.34 -0.78 -0.13 0.00 0.03 0.00 0.00 46.19 45.65 1wkh s LEU 100 CO 0.21 -0.10 1.26 -2.65 0.23 0.00 0.00 176.35 175.29 1wkh n PRO 101 N -0.27 1.82 0.22 1.29 -0.02 -1.26 -4.80 135.00 131.98 1wkh n PRO 101 Ca -0.09 0.64 0.09 0.00 -2.02 0.00 0.00 63.50 62.13 1wkh n PRO 101 Cb 0.60 -2.20 0.49 0.00 -0.02 0.00 0.00 33.50 32.37 1wkh n PRO 101 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1wkh h PRO 102 N 3.13 0.00 -0.02 0.52 0.13 -1.96 -0.85 132.00 132.95 1wkh h PRO 102 Ca -0.44 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 1wkh h PRO 102 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1wkh h PRO 102 CO 0.68 0.00 -0.64 0.93 -0.23 0.00 0.00 178.00 178.74 1wkh h GLU 103 N 0.00 0.08 -4.94 0.86 3.07 -1.96 -3.35 114.58 108.34 1wkh h GLU 103 Ca 0.00 -0.06 -0.70 0.00 -0.50 0.00 0.00 59.36 58.10 1wkh h GLU 103 Cb 0.64 0.01 -0.18 0.00 -0.84 0.00 0.00 28.75 28.38 1wkh h GLU 103 CO 0.00 0.69 0.95 -0.51 -1.40 0.00 0.00 179.01 178.73 1wkh s LEU 104 N -7.67 5.08 -0.06 1.33 1.43 -0.32 -3.99 118.68 114.48 1wkh s LEU 104 Ca -0.02 -2.29 0.09 0.00 -1.03 0.00 0.00 54.13 50.88 1wkh s LEU 104 Cb 0.12 -2.40 0.13 0.00 0.03 0.00 0.00 46.19 44.08 1wkh s LEU 104 CO 0.78 -0.98 1.02 -0.46 0.23 0.00 0.00 176.35 176.94 1wkh n ASN 105 N 6.28 1.69 -3.95 2.29 0.23 -1.18 -4.77 115.26 115.84 1wkh n ASN 105 Ca 0.27 -2.41 -0.25 0.00 -0.53 0.00 0.00 54.58 51.66 1wkh n ASN 105 Cb 0.48 -0.23 -0.17 0.00 -2.08 0.00 0.00 39.78 37.78 1wkh n ASN 105 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1wkh s ARG 106 N -1.63 1.51 -0.08 -3.83 1.81 -0.94 -4.95 118.95 110.84 1wkh s ARG 106 Ca 0.15 -0.30 0.03 0.00 -1.72 0.00 0.00 55.73 53.89 1wkh s ARG 106 Cb 0.13 -1.42 -0.02 0.00 -0.45 0.00 0.00 34.95 33.19 1wkh s ARG 106 CO 0.01 -0.13 -0.16 0.08 -0.68 0.00 0.00 175.30 174.43 1wkh s VAL 107 N 1.20 2.88 -0.39 3.52 1.01 -1.26 -0.56 120.40 126.80 1wkh s VAL 107 Ca -0.05 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1wkh s VAL 107 Cb -0.14 -2.15 0.11 0.00 0.00 0.00 0.00 36.38 34.20 1wkh s VAL 107 CO -0.02 0.56 0.14 0.12 0.00 0.00 0.00 175.10 175.90 1wkh s PHE 108 N -0.21 2.99 0.37 5.22 5.36 -0.21 -4.99 117.98 126.52 1wkh s PHE 108 Ca -0.00 -2.74 -0.26 0.00 -0.96 0.00 0.00 56.93 52.97 1wkh s PHE 108 Cb -0.13 -2.54 -0.09 0.00 -0.34 0.00 0.00 43.02 39.92 1wkh s PHE 108 CO 0.03 -0.86 1.19 -1.25 -1.46 0.00 0.00 175.22 172.87 1wkh s PRO 109 N 0.65 4.18 0.00 10.12 0.04 -1.26 -1.60 135.00 147.13 1wkh s PRO 109 Ca 0.13 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1wkh s PRO 109 Cb -0.21 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1wkh s PRO 109 CO -0.08 -0.23 0.00 1.33 0.04 0.00 0.00 177.00 178.06 1wkh n VAL 110 N 0.35 0.00 -0.29 -0.36 0.24 -0.00 -4.22 118.33 114.04 1wkh n VAL 110 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1wkh n VAL 110 Cb 0.45 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 1wkh n VAL 110 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1wkh n ASN 111 N 0.00 1.16 -3.54 -1.34 3.02 -1.26 -2.24 115.26 111.06 1wkh n ASN 111 Ca 0.00 -1.45 -0.04 0.00 -0.03 0.00 0.00 54.58 53.06 1wkh n ASN 111 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1wkh n ASN 111 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wkh s SER 112 N -0.45 -0.10 0.01 6.41 1.04 -1.26 -3.82 113.70 115.54 1wkh s SER 112 Ca 0.00 -0.59 -0.21 0.00 0.48 0.00 0.00 55.95 55.64 1wkh s SER 112 Cb 0.00 0.54 -0.18 0.00 0.10 0.00 0.00 66.02 66.48 1wkh s SER 112 CO 0.00 -1.04 1.21 1.23 0.98 0.00 0.00 173.24 175.63 1wkh h GLY 113 N 2.00 0.38 1.16 7.32 0.00 -1.87 -1.98 103.07 110.08 1wkh h GLY 113 Ca -0.26 -0.51 0.05 0.00 0.00 0.00 0.00 47.33 46.61 1wkh h GLY 113 CO 0.30 0.46 0.44 0.00 0.00 0.00 0.00 176.54 177.74 1wkh h THR 114 N -0.12 1.04 -0.05 4.70 1.03 -1.96 0.11 112.91 117.66 1wkh h THR 114 Ca -0.01 -0.25 -0.16 0.00 -0.01 0.00 0.00 66.41 65.98 1wkh h THR 114 Cb 0.93 0.26 -0.01 0.00 -1.07 0.00 0.00 68.15 68.25 1wkh h THR 114 CO 0.06 0.13 -0.68 -0.33 -0.01 0.00 0.00 175.52 174.69 1wkh h GLU 115 N 0.72 0.21 -0.39 0.00 5.08 -1.88 -0.09 114.58 118.23 1wkh h GLU 115 Ca 0.28 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1wkh h GLU 115 Cb 0.19 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1wkh h GLU 115 CO -0.08 0.81 0.12 0.00 -1.00 0.00 0.00 179.01 178.85 1wkh h ALA 116 N 1.15 0.51 -0.13 3.43 0.00 -0.12 -0.45 119.26 123.65 1wkh h ALA 116 Ca -0.02 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1wkh h ALA 116 Cb 1.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1wkh h ALA 116 CO 0.10 0.16 -0.53 -0.91 0.00 0.00 0.00 179.25 178.07 1wkh h ASN 117 N 0.48 0.40 -0.52 0.00 2.35 -0.78 -1.17 115.58 116.35 1wkh h ASN 117 Ca 0.13 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1wkh h ASN 117 Cb 0.27 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1wkh h ASN 117 CO -0.00 0.86 0.15 -0.33 -1.65 0.00 0.00 177.43 176.45 1wkh h GLU 118 N 0.28 0.87 -0.06 0.81 4.39 -0.78 0.24 114.58 120.33 1wkh h GLU 118 Ca 0.01 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1wkh h GLU 118 Cb 1.03 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1wkh h GLU 118 CO 0.09 0.78 -0.00 0.00 -1.16 0.00 0.00 179.01 178.72 1wkh h ALA 119 N 1.32 0.09 -0.39 3.43 0.00 -0.76 -2.15 119.26 120.80 1wkh h ALA 119 Ca 0.18 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1wkh h ALA 119 Cb 0.29 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1wkh h ALA 119 CO -0.00 -0.23 0.06 0.00 0.00 0.00 0.00 179.25 179.07 1wkh h ALA 120 N 0.72 0.40 -0.45 0.00 0.00 -0.71 0.25 119.26 119.47 1wkh h ALA 120 Ca 0.02 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1wkh h ALA 120 Cb 0.34 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1wkh h ALA 120 CO 0.00 -0.34 0.29 -0.07 0.00 0.00 0.00 179.25 179.13 1wkh h LEU 121 N 0.18 0.50 -0.24 0.00 3.38 -0.93 -0.54 115.31 117.65 1wkh h LEU 121 Ca 0.19 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1wkh h LEU 121 Cb 0.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1wkh h LEU 121 CO -0.26 0.36 0.01 0.11 0.09 0.00 0.00 178.44 178.75 1wkh h LYS 122 N 0.60 0.42 -0.30 1.13 1.57 -1.00 -1.98 116.57 117.01 1wkh h LYS 122 Ca 0.17 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1wkh h LYS 122 Cb -0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1wkh h LYS 122 CO -0.05 0.59 0.13 0.74 -0.57 0.00 0.00 179.45 180.28 1wkh h PHE 123 N 0.21 0.41 -0.09 -1.35 -1.00 -0.80 -1.83 116.94 112.48 1wkh h PHE 123 Ca 0.07 -0.01 -0.14 0.00 2.81 0.00 0.00 57.97 60.70 1wkh h PHE 123 Cb 0.39 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 1wkh h PHE 123 CO 0.03 0.32 -0.56 0.00 -1.61 0.00 0.00 178.31 176.50 1wkh h ALA 124 N 1.72 0.88 -0.00 2.45 0.00 -0.82 -2.17 119.26 121.32 1wkh h ALA 124 Ca 0.11 -0.51 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 1wkh h ALA 124 Cb 0.08 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1wkh h ALA 124 CO -0.01 0.70 -0.86 0.00 0.00 0.00 0.00 179.25 179.07 1wkh h ARG 125 N 0.21 0.59 -0.25 0.00 3.08 -0.80 -2.67 114.38 114.54 1wkh h ARG 125 Ca 0.00 -0.63 -0.08 0.00 0.07 0.00 0.00 59.98 59.34 1wkh h ARG 125 Cb 1.05 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1wkh h ARG 125 CO 0.09 1.24 -0.20 0.00 -1.07 0.00 0.00 179.97 180.03 1wkh h ALA 126 N 0.37 1.18 -0.06 0.04 0.00 -1.37 0.34 119.26 119.76 1wkh h ALA 126 Ca -0.11 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 1wkh h ALA 126 Cb 1.54 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.21 1wkh h ALA 126 CO 0.17 0.52 -0.48 1.25 0.00 0.00 0.00 179.25 180.71 1wkh h HIS 127 N 0.41 0.61 0.00 0.00 -0.00 -1.44 -3.35 115.15 111.38 1wkh h HIS 127 Ca 0.07 -0.29 -0.26 0.00 -0.00 0.00 0.00 60.37 59.90 1wkh h HIS 127 Cb 0.59 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.87 1wkh h HIS 127 CO 0.02 1.07 -1.54 1.79 -0.00 0.00 0.00 177.93 179.27 1wkh h THR 128 N -0.03 0.90 0.00 6.26 1.35 -1.50 -3.48 112.91 116.42 1wkh h THR 128 Ca -0.04 -2.66 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 1wkh h THR 128 Cb 1.15 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 1wkh h THR 128 CO 0.10 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 1wkh n GLY 129 N 1.49 0.51 3.97 5.82 0.00 0.12 -5.02 105.19 112.08 1wkh n GLY 129 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 1wkh n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wkh s ARG 130 N -0.02 2.70 -0.05 1.61 0.52 -1.24 -5.04 118.95 117.43 1wkh s ARG 130 Ca 0.00 -1.37 -0.01 0.00 -0.52 0.00 0.00 55.73 53.83 1wkh s ARG 130 Cb 0.00 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.82 1wkh s ARG 130 CO 0.00 -0.28 -0.05 1.63 0.02 0.00 0.00 175.30 176.62 1wkh n LYS 131 N -1.77 0.12 -1.66 3.54 4.76 -1.25 -4.58 118.16 117.33 1wkh n LYS 131 Ca 0.07 0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.13 1wkh n LYS 131 Cb 0.60 -0.98 0.01 0.00 -1.84 0.00 0.00 35.03 32.82 1wkh n LYS 131 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1wkh n LYS 132 N -2.83 1.67 -4.86 1.97 4.81 -1.18 -4.50 118.16 113.25 1wkh n LYS 132 Ca -0.09 0.59 -0.26 0.00 -0.87 0.00 0.00 58.31 57.68 1wkh n LYS 132 Cb 0.59 -2.20 -0.16 0.00 0.02 0.00 0.00 35.03 33.28 1wkh n LYS 132 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1wkh s PHE 133 N -1.21 1.70 -0.12 5.64 2.99 -0.63 0.03 117.98 126.40 1wkh s PHE 133 Ca 0.61 -0.44 0.01 0.00 0.00 0.00 0.00 56.93 57.11 1wkh s PHE 133 Cb -0.55 -1.13 -0.01 0.00 0.00 0.00 0.00 43.02 41.33 1wkh s PHE 133 CO 0.58 -0.13 -0.15 0.08 -0.00 0.00 0.00 175.22 175.60 1wkh s VAL 134 N -0.10 2.89 0.21 -0.44 1.01 -0.54 -0.66 120.40 122.77 1wkh s VAL 134 Ca -0.01 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 1wkh s VAL 134 Cb -0.10 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1wkh s VAL 134 CO 0.01 0.54 0.10 0.00 0.00 0.00 0.00 175.10 175.75 1wkh s ALA 135 N 0.25 1.32 0.07 5.51 0.00 0.42 -1.41 121.76 127.92 1wkh s ALA 135 Ca -0.10 -1.72 -0.05 0.00 0.00 0.00 0.00 51.96 50.09 1wkh s ALA 135 Cb -0.16 1.17 -0.05 0.00 0.00 0.00 0.00 23.12 24.08 1wkh s ALA 135 CO 0.06 -0.52 0.31 0.00 0.00 0.00 0.00 175.76 175.61 1wkh s ALA 136 N -3.99 3.84 0.34 0.00 0.00 -1.26 -0.92 121.76 119.77 1wkh s ALA 136 Ca 0.36 -0.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.44 1wkh s ALA 136 Cb 0.07 -2.07 -0.10 0.00 0.00 0.00 0.00 23.12 21.02 1wkh s ALA 136 CO 0.11 0.68 1.31 -1.64 0.00 0.00 0.00 175.76 176.21 1wkh s MET 137 N -2.22 4.33 -0.08 0.00 1.00 0.13 -1.99 119.30 120.48 1wkh s MET 137 Ca 0.34 2.22 0.00 0.00 0.00 0.00 0.00 55.69 58.25 1wkh s MET 137 Cb -0.13 -3.05 0.00 0.00 0.00 0.00 0.00 34.83 31.65 1wkh s MET 137 CO 0.21 -0.21 0.00 0.54 0.00 0.00 0.00 175.02 175.56 1wkh n ARG 138 N 0.75 -0.16 -3.41 2.03 1.74 -1.26 -4.32 116.66 112.03 1wkh n ARG 138 Ca 0.00 0.24 -0.34 0.00 -0.77 0.00 0.00 57.85 56.99 1wkh n ARG 138 Cb 0.42 -3.55 -0.06 0.00 -1.02 0.00 0.00 32.46 28.25 1wkh n ARG 138 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1wkh s GLY 139 N -2.38 2.37 -0.08 -0.13 0.00 -0.84 -3.45 107.32 102.81 1wkh s GLY 139 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 44.72 44.52 1wkh s GLY 139 CO 0.00 -0.01 -0.15 -0.12 0.00 0.00 0.00 173.10 172.82 1wkh s PHE 140 N -1.61 1.75 0.00 1.90 5.36 -1.26 -1.11 117.98 123.01 1wkh s PHE 140 Ca 0.41 -0.71 0.00 0.00 -0.96 0.00 0.00 56.93 55.67 1wkh s PHE 140 Cb -0.13 -1.25 0.00 0.00 -0.34 0.00 0.00 43.02 41.29 1wkh s PHE 140 CO 0.20 -0.35 0.00 0.43 -1.46 0.00 0.00 175.22 174.04 1wkh n SER 141 N 3.89 0.36 0.00 6.13 7.64 -1.26 -4.99 113.62 125.38 1wkh n SER 141 Ca -0.21 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1wkh n SER 141 Cb 0.52 0.77 0.00 0.00 -1.01 0.00 0.00 64.21 64.49 1wkh n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wkh n GLY 142 N 0.88 3.15 0.00 0.23 0.00 -1.26 -4.11 105.19 104.08 1wkh n GLY 142 Ca 0.00 -1.49 0.09 0.00 0.00 0.00 0.00 46.02 44.62 1wkh n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wkh n ARG 143 N -1.70 0.90 -2.14 1.61 5.12 -1.26 -3.04 116.66 116.15 1wkh n ARG 143 Ca 0.00 -0.07 -0.39 0.00 -1.93 0.00 0.00 57.85 55.46 1wkh n ARG 143 Cb 0.00 -1.38 -0.01 0.00 -1.16 0.00 0.00 32.46 29.91 1wkh n ARG 143 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1wkh s THR 144 N -2.92 2.80 0.45 0.55 -4.23 -1.26 -4.58 115.64 106.45 1wkh s THR 144 Ca 0.01 0.71 0.31 0.00 -1.18 0.00 0.00 61.69 61.54 1wkh s THR 144 Cb 0.13 -3.42 0.50 0.00 1.34 0.00 0.00 72.50 71.05 1wkh s THR 144 CO 0.74 0.10 1.63 0.24 -0.54 0.00 0.00 174.62 176.79 1wkh h MET 145 N 2.74 0.09 0.02 3.99 0.00 -1.97 0.23 114.93 120.02 1wkh h MET 145 Ca -0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 59.70 59.20 1wkh h MET 145 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 31.60 32.82 1wkh h MET 145 CO 0.63 0.06 -0.01 0.78 0.00 0.00 0.00 176.91 178.37 1wkh h GLY 146 N 0.09 -0.02 2.00 8.32 0.00 -1.96 -2.60 103.07 108.89 1wkh h GLY 146 Ca 0.81 0.01 -0.08 0.00 0.00 0.00 0.00 47.33 48.07 1wkh h GLY 146 CO -0.38 -0.01 -0.39 1.76 0.00 0.00 0.00 176.54 177.52 1wkh h SER 147 N -0.42 0.00 0.51 0.19 0.02 -1.21 -2.81 113.55 109.82 1wkh h SER 147 Ca -0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1wkh h SER 147 Cb 0.41 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1wkh h SER 147 CO 0.00 0.39 -0.52 0.25 -1.14 0.00 0.00 176.83 175.82 1wkh h LEU 148 N 0.00 0.01 -2.07 5.07 5.85 -0.57 -2.78 115.31 120.82 1wkh h LEU 148 Ca -0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1wkh h LEU 148 Cb 0.84 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1wkh h LEU 148 CO 0.05 0.52 -0.05 0.28 -0.34 0.00 0.00 178.44 178.90 1wkh h SER 149 N 0.01 0.00 -0.41 1.25 0.02 -1.19 -1.23 113.55 112.00 1wkh h SER 149 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wkh h SER 149 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1wkh h SER 149 CO 0.07 0.05 0.00 1.33 -1.14 0.00 0.00 176.83 177.14 1wkh n VAL 150 N -4.17 0.82 -3.43 2.27 0.24 -1.10 -4.87 118.33 108.09 1wkh n VAL 150 Ca -0.03 -0.91 -0.38 0.00 -2.04 0.00 0.00 64.34 60.98 1wkh n VAL 150 Cb 0.14 0.65 -0.08 0.00 -1.47 0.00 0.00 33.84 33.07 1wkh n VAL 150 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1wkh s THR 151 N -1.06 5.22 0.02 3.34 2.01 -0.47 -4.68 115.64 120.03 1wkh s THR 151 Ca 0.30 0.60 -0.17 0.00 0.31 0.00 0.00 61.69 62.73 1wkh s THR 151 Cb 0.16 -3.69 -0.09 0.00 0.01 0.00 0.00 72.50 68.89 1wkh s THR 151 CO 0.22 0.25 1.14 -0.25 -0.69 0.00 0.00 174.62 175.29 1wkh h TRP 152 N 7.52 -0.57 0.00 4.92 2.91 -1.37 -3.46 115.95 125.91 1wkh h TRP 152 Ca -0.36 -0.01 -0.18 0.00 1.13 0.00 0.00 58.89 59.47 1wkh h TRP 152 Cb 1.16 0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.97 1wkh h TRP 152 CO 0.69 -0.36 0.65 -1.91 -1.03 0.00 0.00 178.44 176.48 1wkh n GLU 153 N -3.82 0.00 -0.25 2.65 4.07 -1.26 -4.75 120.64 117.28 1wkh n GLU 153 Ca -0.08 0.00 0.22 0.00 -0.06 0.00 0.00 57.16 57.25 1wkh n GLU 153 Cb 0.24 -0.54 0.56 0.00 -0.06 0.00 0.00 31.44 31.65 1wkh n GLU 153 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1wkh h PRO 154 N 4.36 0.30 -0.69 5.31 0.13 -2.00 -1.18 132.00 138.23 1wkh h PRO 154 Ca -0.02 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.15 1wkh h PRO 154 Cb 0.47 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 31.49 1wkh h PRO 154 CO 0.51 0.20 0.40 -0.22 -0.23 0.00 0.00 178.00 178.66 1wkh h LYS 155 N 0.30 0.73 0.00 0.86 3.64 -1.99 0.57 116.57 120.68 1wkh h LYS 155 Ca 0.49 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.79 1wkh h LYS 155 Cb 1.39 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1wkh h LYS 155 CO -0.16 0.48 -0.16 1.88 -2.27 0.00 0.00 179.45 179.22 1wkh h TYR 156 N 0.75 0.00 0.00 1.91 0.99 -1.57 -3.37 116.97 115.69 1wkh h TYR 156 Ca 0.30 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 60.60 1wkh h TYR 156 Cb 0.14 0.00 -0.07 0.00 1.00 0.00 0.00 36.73 37.80 1wkh h TYR 156 CO -0.06 0.16 -2.51 2.89 -0.00 0.00 0.00 178.16 178.64 1wkh n ARG 157 N -3.24 0.62 -0.30 4.88 1.85 -1.00 -4.69 116.66 114.78 1wkh n ARG 157 Ca 0.01 0.21 0.00 0.00 -1.00 0.00 0.00 57.85 57.08 1wkh n ARG 157 Cb 0.46 -1.51 0.07 0.00 -1.05 0.00 0.00 32.46 30.43 1wkh n ARG 157 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1wkh h GLU 158 N -0.55 -0.04 -0.26 2.89 5.08 -1.05 -1.05 114.58 119.61 1wkh h GLU 158 Ca -0.65 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 57.79 1wkh h GLU 158 Cb 1.74 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.99 1wkh h GLU 158 CO -0.27 -0.02 0.23 -1.35 -1.00 0.00 0.00 179.01 176.59 1wkh h PRO 159 N -0.04 0.00 -0.43 2.33 0.11 -1.82 -2.96 132.00 129.19 1wkh h PRO 159 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1wkh h PRO 159 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1wkh h PRO 159 CO -0.86 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.12 1wkh n PHE 160 N -4.07 0.90 -1.71 0.65 3.72 -0.40 -5.01 117.46 111.54 1wkh n PHE 160 Ca 0.03 -0.63 -0.33 0.00 -0.05 0.00 0.00 57.45 56.47 1wkh n PHE 160 Cb 0.38 -0.16 0.05 0.00 -0.94 0.00 0.00 39.48 38.81 1wkh n PHE 160 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1wkh s LEU 161 N -1.72 3.38 0.30 4.37 1.43 -1.12 -4.34 118.68 120.98 1wkh s LEU 161 Ca 0.37 2.06 -0.21 0.00 -1.03 0.00 0.00 54.13 55.33 1wkh s LEU 161 Cb 0.24 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.81 1wkh s LEU 161 CO 0.17 -1.74 0.83 -2.16 0.23 0.00 0.00 176.35 173.68 1wkh s PRO 162 N -4.05 4.30 0.00 1.29 0.04 -1.26 -5.12 135.00 130.20 1wkh s PRO 162 Ca 0.68 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1wkh s PRO 162 Cb -0.22 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1wkh s PRO 162 CO 0.42 0.25 0.00 1.28 0.04 0.00 0.00 177.00 178.99 1wkh n LEU 163 N 0.26 0.00 -4.72 -3.56 4.77 -1.26 -5.06 117.00 107.43 1wkh n LEU 163 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 1wkh n LEU 163 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1wkh n LEU 163 CO 0.42 -0.12 1.01 -0.69 -1.33 0.00 0.00 177.39 176.68 1wkh s VAL 164 N 1.29 3.46 0.24 4.08 1.01 -1.26 -5.03 120.40 124.19 1wkh s VAL 164 Ca 0.00 1.06 0.11 0.00 0.00 0.00 0.00 61.98 63.15 1wkh s VAL 164 Cb 0.00 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1wkh s VAL 164 CO 0.00 0.09 -0.20 -1.61 0.00 0.00 0.00 175.10 173.38 1wkh s GLU 165 N 0.97 1.57 -0.01 2.72 2.02 -1.26 -4.50 118.70 120.21 1wkh s GLU 165 Ca 0.62 -1.66 -0.02 0.00 0.02 0.00 0.00 54.97 53.93 1wkh s GLU 165 Cb -0.35 -1.67 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 1wkh s GLU 165 CO 0.31 0.32 0.16 -1.25 0.02 0.00 0.00 175.26 174.82 1wkh s PRO 166 N -3.28 3.37 -0.01 0.39 0.04 -1.26 -4.84 135.00 129.40 1wkh s PRO 166 Ca 0.26 -0.36 0.04 0.00 0.04 0.00 0.00 61.00 60.98 1wkh s PRO 166 Cb -0.05 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.43 1wkh s PRO 166 CO 0.12 0.67 -0.13 0.08 0.04 0.00 0.00 177.00 177.78 1wkh s VAL 167 N -1.31 1.06 -0.05 -0.36 1.01 -1.26 -1.60 120.40 117.89 1wkh s VAL 167 Ca 0.27 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1wkh s VAL 167 Cb -0.13 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1wkh s VAL 167 CO 0.18 0.28 -0.14 -0.70 0.00 0.00 0.00 175.10 174.73 1wkh s GLU 168 N -0.36 1.62 -0.05 2.72 2.12 0.17 -4.96 118.70 119.96 1wkh s GLU 168 Ca 0.05 -0.47 -0.01 0.00 0.36 0.00 0.00 54.97 54.89 1wkh s GLU 168 Cb -0.05 -1.38 -0.04 0.00 0.26 0.00 0.00 34.13 32.92 1wkh s GLU 168 CO -0.00 0.12 0.05 -0.06 -0.54 0.00 0.00 175.26 174.83 1wkh s PHE 169 N 0.35 3.25 0.08 5.30 0.40 -1.25 -0.44 117.98 125.66 1wkh s PHE 169 Ca -0.09 0.22 0.04 0.00 -0.60 0.00 0.00 56.93 56.51 1wkh s PHE 169 Cb -0.13 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 1wkh s PHE 169 CO 0.03 0.53 -0.12 0.96 0.70 0.00 0.00 175.22 177.32 1wkh s ILE 170 N -1.04 0.97 0.44 0.64 -4.36 -0.09 -4.88 121.20 112.88 1wkh s ILE 170 Ca 0.18 -1.38 -0.25 0.00 -0.26 0.00 0.00 60.65 58.94 1wkh s ILE 170 Cb -0.12 -1.09 -0.09 0.00 1.25 0.00 0.00 42.46 42.42 1wkh s ILE 170 CO 0.08 -0.36 1.30 -2.65 0.24 0.00 0.00 174.94 173.55 1wkh n PRO 171 N 1.08 1.95 -2.19 0.37 -0.02 -1.26 -0.70 135.00 134.22 1wkh n PRO 171 Ca -0.20 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 1wkh n PRO 171 Cb 0.55 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1wkh n PRO 171 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1wkh s TYR 172 N -1.21 3.17 0.00 6.00 5.04 -1.26 -2.47 117.35 126.62 1wkh s TYR 172 Ca 0.62 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 56.69 1wkh s TYR 172 Cb -0.48 -3.60 0.00 0.00 0.35 0.00 0.00 41.96 38.23 1wkh s TYR 172 CO 0.57 -1.64 0.00 0.09 -1.34 0.00 0.00 175.55 173.23 1wkh n ASN 173 N 1.15 -3.74 -4.43 4.32 3.02 -1.26 -4.96 115.26 109.36 1wkh n ASN 173 Ca 0.01 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.12 1wkh n ASN 173 Cb 0.42 -1.81 -0.03 0.00 -0.61 0.00 0.00 39.78 37.75 1wkh n ASN 173 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wkh s ASP 174 N -2.08 6.38 0.13 6.41 -1.08 -1.03 -4.81 116.67 120.59 1wkh s ASP 174 Ca 0.00 -1.58 -0.23 0.00 -0.52 0.00 0.00 52.55 50.23 1wkh s ASP 174 Cb 0.00 -2.38 -0.03 0.00 -1.46 0.00 0.00 42.92 39.05 1wkh s ASP 174 CO 0.00 -1.19 1.67 0.58 0.52 0.00 0.00 175.17 176.75 1wkh h VAL 175 N 5.86 0.60 -0.79 1.11 2.07 -1.93 -2.30 116.25 120.86 1wkh h VAL 175 Ca -0.09 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1wkh h VAL 175 Cb 1.05 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1wkh h VAL 175 CO 1.12 0.00 0.33 -0.33 0.02 0.00 0.00 177.57 178.71 1wkh h GLU 176 N -0.20 1.16 -0.45 1.57 4.39 -1.99 -1.42 114.58 117.64 1wkh h GLU 176 Ca 0.09 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1wkh h GLU 176 Cb 0.33 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1wkh h GLU 176 CO -0.23 0.93 0.30 0.00 -1.16 0.00 0.00 179.01 178.85 1wkh h ALA 177 N 1.22 0.57 -0.83 3.43 0.00 -1.89 -0.98 119.26 120.78 1wkh h ALA 177 Ca 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1wkh h ALA 177 Cb 0.18 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1wkh h ALA 177 CO -0.03 0.02 0.40 1.25 0.00 0.00 0.00 179.25 180.90 1wkh h LEU 178 N 0.61 1.09 -0.70 0.00 5.85 -1.14 -0.92 115.31 120.09 1wkh h LEU 178 Ca 0.16 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1wkh h LEU 178 Cb -0.07 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.65 1wkh h LEU 178 CO -0.04 0.92 0.26 0.11 -0.34 0.00 0.00 178.44 179.35 1wkh h LYS 179 N 1.18 1.07 -0.22 1.25 6.56 -0.76 -2.09 116.57 123.56 1wkh h LYS 179 Ca 0.29 -0.21 -0.21 0.00 -1.06 0.00 0.00 60.65 59.46 1wkh h LYS 179 Cb 0.12 -0.17 0.01 0.00 -0.57 0.00 0.00 32.23 31.62 1wkh h LYS 179 CO -0.04 0.90 -0.68 0.00 -2.06 0.00 0.00 179.45 177.58 1wkh h ARG 180 N 1.01 0.83 -0.32 3.15 3.08 -0.92 -3.31 114.38 117.91 1wkh h ARG 180 Ca 0.23 -0.61 -0.09 0.00 0.07 0.00 0.00 59.98 59.58 1wkh h ARG 180 Cb 0.25 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1wkh h ARG 180 CO -0.01 1.23 -0.19 0.00 -1.07 0.00 0.00 179.97 179.93 1wkh h ALA 181 N 0.62 1.08 -2.06 0.04 0.00 -1.03 -3.42 119.26 114.49 1wkh h ALA 181 Ca -0.02 -0.32 -0.59 0.00 0.00 0.00 0.00 54.91 53.97 1wkh h ALA 181 Cb 1.30 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1wkh h ALA 181 CO 0.14 0.56 0.63 0.08 0.00 0.00 0.00 179.25 180.67 1wkh s VAL 182 N -4.63 4.61 0.05 0.00 1.01 -0.80 -4.97 120.40 115.67 1wkh s VAL 182 Ca -0.08 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1wkh s VAL 182 Cb 0.14 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 1wkh s VAL 182 CO 0.80 -0.45 0.01 -0.90 0.00 0.00 0.00 175.10 174.56 1wkh n ASP 183 N 6.66 1.48 0.00 3.32 3.85 -1.26 -4.96 116.55 125.64 1wkh n ASP 183 Ca 0.08 -1.26 0.06 0.00 -0.71 0.00 0.00 54.79 52.96 1wkh n ASP 183 Cb 0.48 0.09 0.30 0.00 -1.35 0.00 0.00 41.12 40.63 1wkh n ASP 183 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1wkh n GLU 184 N -0.13 0.04 -0.20 0.11 -0.58 -1.26 -2.23 120.64 116.39 1wkh n GLU 184 Ca -0.01 0.25 0.08 0.00 -0.42 0.00 0.00 57.16 57.06 1wkh n GLU 184 Cb 0.07 -1.50 0.19 0.00 -0.57 0.00 0.00 31.44 29.63 1wkh n GLU 184 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1wkh n GLU 185 N -1.46 2.42 -3.00 3.49 -0.58 -1.26 -4.95 120.64 115.31 1wkh n GLU 185 Ca 0.04 -2.11 -0.42 0.00 -0.42 0.00 0.00 57.16 54.25 1wkh n GLU 185 Cb 0.15 -1.38 -0.05 0.00 -0.57 0.00 0.00 31.44 29.58 1wkh n GLU 185 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1wkh s THR 186 N -1.10 4.85 0.20 2.62 2.01 -0.95 -3.09 115.64 120.18 1wkh s THR 186 Ca 0.31 1.15 -0.04 0.00 0.31 0.00 0.00 61.69 63.41 1wkh s THR 186 Cb 0.17 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1wkh s THR 186 CO 0.23 -0.17 1.56 0.00 -0.69 0.00 0.00 174.62 175.55 1wkh h ALA 187 N 8.06 0.77 -1.51 7.40 0.00 -0.66 -3.38 119.26 129.94 1wkh h ALA 187 Ca -0.25 -0.44 0.27 0.00 0.00 0.00 0.00 54.91 54.49 1wkh h ALA 187 Cb 1.10 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.61 1wkh h ALA 187 CO 0.85 0.65 0.80 0.00 0.00 0.00 0.00 179.25 181.56 1wkh s ALA 188 N -4.32 -2.11 -0.11 0.00 0.00 -1.21 -2.08 121.76 111.94 1wkh s ALA 188 Ca -0.09 1.27 0.02 0.00 0.00 0.00 0.00 51.96 53.16 1wkh s ALA 188 Cb 0.12 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 1wkh s ALA 188 CO 0.84 -0.75 -0.19 0.08 0.00 0.00 0.00 175.76 175.74 1wkh s VAL 189 N -2.46 2.55 -0.16 0.00 1.01 0.72 -1.47 120.40 120.59 1wkh s VAL 189 Ca 0.11 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1wkh s VAL 189 Cb 0.01 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1wkh s VAL 189 CO -0.04 0.54 -0.20 -0.51 0.00 0.00 0.00 175.10 174.89 1wkh s ILE 190 N 0.34 2.11 0.03 2.22 2.07 -0.50 0.44 121.20 127.90 1wkh s ILE 190 Ca -0.15 -0.94 -0.01 0.00 -1.41 0.00 0.00 60.65 58.14 1wkh s ILE 190 Cb -0.17 -1.87 -0.02 0.00 0.13 0.00 0.00 42.46 40.53 1wkh s ILE 190 CO 0.07 0.54 -0.02 -0.76 -1.91 0.00 0.00 174.94 172.86 1wkh s LEU 191 N 1.09 2.26 -0.15 8.50 1.43 -0.51 -4.17 118.68 127.13 1wkh s LEU 191 Ca -0.00 -0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 52.36 1wkh s LEU 191 Cb -0.14 0.15 -0.05 0.00 0.03 0.00 0.00 46.19 46.19 1wkh s LEU 191 CO -0.08 -0.38 0.28 -1.61 0.23 0.00 0.00 176.35 174.79 1wkh s GLU 192 N -2.05 4.19 0.50 1.70 2.02 -1.26 -0.76 118.70 123.03 1wkh s GLU 192 Ca -0.10 0.08 0.17 0.00 0.02 0.00 0.00 54.97 55.13 1wkh s GLU 192 Cb -0.06 -3.40 1.23 0.00 0.10 0.00 0.00 34.13 32.01 1wkh s GLU 192 CO -0.03 0.30 2.10 -1.35 0.02 0.00 0.00 175.26 176.29 1wkh h PRO 193 N 6.47 0.09 -3.10 0.39 0.11 -1.96 -3.37 132.00 130.63 1wkh h PRO 193 Ca -0.42 -0.01 -0.40 0.00 0.11 0.00 0.00 66.00 65.28 1wkh h PRO 193 Cb 1.17 -0.02 -0.39 0.00 0.11 0.00 0.00 31.00 31.87 1wkh h PRO 193 CO 0.74 0.06 -0.72 0.08 -0.21 0.00 0.00 178.00 177.94 1wkh s VAL 194 N -5.13 -0.13 0.11 3.15 1.01 -1.26 -1.20 120.40 116.94 1wkh s VAL 194 Ca -0.06 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.72 1wkh s VAL 194 Cb 0.18 -0.40 -0.09 0.00 0.00 0.00 0.00 36.38 36.07 1wkh s VAL 194 CO 0.70 -0.07 1.63 -1.10 0.00 0.00 0.00 175.10 176.26 1wkh s GLN 195 N 2.18 4.20 0.00 2.72 -0.21 -0.64 -4.82 119.66 123.10 1wkh s GLN 195 Ca 0.04 2.36 0.00 0.00 0.02 0.00 0.00 55.36 57.77 1wkh s GLN 195 Cb -0.14 -3.44 0.00 0.00 1.00 0.00 0.00 33.01 30.42 1wkh s GLN 195 CO -0.07 -0.70 0.00 0.41 -2.12 0.00 0.00 175.29 172.82 1wkh n GLY 196 N 3.93 0.89 0.35 3.09 0.00 -1.26 -0.88 105.19 111.30 1wkh n GLY 196 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 1wkh n GLY 196 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wkh h GLU 197 N 0.00 0.62 0.00 1.61 4.39 -1.91 -0.40 114.58 118.89 1wkh h GLU 197 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1wkh h GLU 197 Cb 0.00 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1wkh h GLU 197 CO 0.00 0.41 0.05 0.41 -1.16 0.00 0.00 179.01 178.72 1wkh n GLY 198 N -1.47 -0.36 0.00 -3.84 0.00 -1.22 -3.47 105.19 94.83 1wkh n GLY 198 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1wkh n GLY 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkh n GLY 199 N -1.34 1.86 3.29 -0.02 0.00 -0.23 -4.79 105.19 103.96 1wkh n GLY 199 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1wkh n GLY 199 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wkh n VAL 200 N -0.36 -8.20 -4.04 1.61 0.31 -0.06 -4.84 118.33 102.75 1wkh n VAL 200 Ca 0.00 -0.34 -0.32 0.00 -0.01 0.00 0.00 64.34 63.67 1wkh n VAL 200 Cb 0.00 -5.78 -0.15 0.00 -0.91 0.00 0.00 33.84 27.00 1wkh n VAL 200 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1wkh s ARG 201 N -3.81 2.00 0.38 5.55 0.52 -0.72 -4.48 118.95 118.39 1wkh s ARG 201 Ca 0.08 -1.52 -0.27 0.00 -0.52 0.00 0.00 55.73 53.49 1wkh s ARG 201 Cb -0.02 -3.01 -0.10 0.00 0.52 0.00 0.00 34.95 32.34 1wkh s ARG 201 CO 0.79 -0.70 1.34 -2.14 0.02 0.00 0.00 175.30 174.61 1wkh s PRO 202 N 1.04 4.11 0.50 3.54 0.02 -1.26 -1.62 135.00 141.34 1wkh s PRO 202 Ca -0.02 2.26 -0.19 0.00 0.02 0.00 0.00 61.00 63.06 1wkh s PRO 202 Cb -0.20 -2.90 -0.08 0.00 0.02 0.00 0.00 34.50 31.35 1wkh s PRO 202 CO -0.06 -0.41 1.02 0.00 -0.33 0.00 0.00 177.00 177.23 1wkh s ALA 203 N -1.19 2.89 0.28 -1.55 0.00 -0.34 -4.94 121.76 116.90 1wkh s ALA 203 Ca 0.54 0.50 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 1wkh s ALA 203 Cb -0.40 -3.22 -0.08 0.00 0.00 0.00 0.00 23.12 19.42 1wkh s ALA 203 CO 0.53 -0.33 0.63 0.95 0.00 0.00 0.00 175.76 177.54 1wkh s THR 204 N -2.15 4.84 0.24 0.00 -4.23 -1.26 -4.97 115.64 108.11 1wkh s THR 204 Ca 0.65 0.63 -0.05 0.00 -1.18 0.00 0.00 61.69 61.74 1wkh s THR 204 Cb -0.15 -3.63 0.21 0.00 1.34 0.00 0.00 72.50 70.28 1wkh s THR 204 CO 0.23 -0.16 1.83 -0.65 -0.54 0.00 0.00 174.62 175.33 1wkh h PRO 205 N 2.31 0.84 -0.68 3.99 0.11 -1.97 -1.73 132.00 134.87 1wkh h PRO 205 Ca -0.47 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.61 1wkh h PRO 205 Cb 1.17 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 1wkh h PRO 205 CO 0.67 0.55 0.43 0.93 -0.21 0.00 0.00 178.00 180.38 1wkh h GLU 206 N 0.86 0.84 -0.05 1.05 3.07 -1.98 0.03 114.58 118.41 1wkh h GLU 206 Ca 0.39 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1wkh h GLU 206 Cb 0.29 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1wkh h GLU 206 CO -0.22 0.56 0.02 0.35 -1.40 0.00 0.00 179.01 178.32 1wkh h PHE 207 N 0.87 0.08 -0.06 4.33 3.57 -1.65 -0.79 116.94 123.29 1wkh h PHE 207 Ca 0.26 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.65 1wkh h PHE 207 Cb -0.04 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1wkh h PHE 207 CO -0.04 0.19 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.71 1wkh h LEU 208 N -0.06 0.14 -0.63 0.59 3.38 -1.28 -1.21 115.31 116.23 1wkh h LEU 208 Ca 0.02 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1wkh h LEU 208 Cb 0.15 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1wkh h LEU 208 CO -0.00 0.59 0.08 0.03 0.09 0.00 0.00 178.44 179.23 1wkh h ARG 209 N 0.11 1.06 -0.51 1.13 2.47 -0.85 -1.26 114.38 116.53 1wkh h ARG 209 Ca 0.01 -0.30 -0.08 0.00 -1.26 0.00 0.00 59.98 58.35 1wkh h ARG 209 Cb 0.86 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.05 1wkh h ARG 209 CO 0.07 0.99 0.01 0.00 0.56 0.00 0.00 179.97 181.60 1wkh h ALA 210 N 1.02 0.68 -0.36 0.04 0.00 -0.80 -1.33 119.26 118.51 1wkh h ALA 210 Ca 0.19 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wkh h ALA 210 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1wkh h ALA 210 CO 0.02 0.48 0.24 0.00 0.00 0.00 0.00 179.25 179.98 1wkh h ALA 211 N 0.94 0.46 0.15 0.00 0.00 -0.92 -0.11 119.26 119.78 1wkh h ALA 211 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1wkh h ALA 211 Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1wkh h ALA 211 CO 0.02 -0.09 -0.07 -0.09 0.00 0.00 0.00 179.25 179.02 1wkh h ARG 212 N 0.48 -0.19 0.32 0.00 9.65 -1.13 -2.24 114.38 121.27 1wkh h ARG 212 Ca 0.14 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1wkh h ARG 212 Cb -0.05 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1wkh h ARG 212 CO -0.04 0.04 -0.22 0.93 2.80 0.00 0.00 179.97 183.49 1wkh h GLU 213 N -0.41 -0.51 -0.28 0.20 4.39 -1.13 -2.73 114.58 114.11 1wkh h GLU 213 Ca -0.02 0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 1wkh h GLU 213 Cb 0.32 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1wkh h GLU 213 CO 0.03 -0.34 -0.17 0.82 -1.16 0.00 0.00 179.01 178.19 1wkh h ILE 214 N -0.53 1.24 -0.49 3.13 2.04 -1.10 -1.33 117.51 120.47 1wkh h ILE 214 Ca -0.03 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.66 1wkh h ILE 214 Cb 0.45 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1wkh h ILE 214 CO 0.02 0.36 0.07 0.71 0.00 0.00 0.00 178.15 179.30 1wkh h THR 215 N 0.45 1.23 -0.21 -0.27 1.35 -1.35 -1.61 112.91 112.50 1wkh h THR 215 Ca 0.08 -0.87 -0.11 0.00 -0.55 0.00 0.00 66.41 64.96 1wkh h THR 215 Cb 0.56 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1wkh h THR 215 CO 0.04 0.31 -0.29 1.56 -0.25 0.00 0.00 175.52 176.89 1wkh h GLN 216 N 0.73 0.57 0.00 4.72 4.20 -1.16 0.17 115.11 124.34 1wkh h GLN 216 Ca 0.15 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1wkh h GLN 216 Cb 0.35 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1wkh h GLN 216 CO 0.01 0.93 -0.03 1.49 -0.67 0.00 0.00 178.83 180.57 1wkh h GLU 217 N 0.25 0.00 -0.02 1.46 4.81 -0.95 -2.76 114.58 117.37 1wkh h GLU 217 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1wkh h GLU 217 Cb 0.87 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1wkh h GLU 217 CO 0.07 0.03 -0.03 1.63 -0.73 0.00 0.00 179.01 179.97 1wkh n LYS 218 N -4.40 1.71 -1.05 1.92 4.76 -0.63 -4.97 118.16 115.50 1wkh n LYS 218 Ca -0.03 -1.60 -0.02 0.00 -2.87 0.00 0.00 58.31 53.79 1wkh n LYS 218 Cb 0.11 -1.37 -0.01 0.00 -1.84 0.00 0.00 35.03 31.92 1wkh n LYS 218 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wkh n GLY 219 N 1.12 0.53 3.94 0.72 0.00 -0.73 -4.48 105.19 106.28 1wkh n GLY 219 Ca 0.11 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 1wkh n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkh s ALA 220 N -2.01 3.80 0.29 4.61 0.00 0.53 -4.94 121.76 124.03 1wkh s ALA 220 Ca 0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 1wkh s ALA 220 Cb 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 1wkh s ALA 220 CO 0.00 0.19 0.51 -0.51 0.00 0.00 0.00 175.76 175.95 1wkh s LEU 221 N -3.91 4.08 -0.27 0.00 1.43 -0.88 -4.20 118.68 114.94 1wkh s LEU 221 Ca 0.38 0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 53.98 1wkh s LEU 221 Cb -0.10 -3.36 0.02 0.00 0.03 0.00 0.00 46.19 42.79 1wkh s LEU 221 CO 0.32 -0.19 -0.01 -0.22 0.23 0.00 0.00 176.35 176.48 1wkh s LEU 222 N -3.78 3.46 -0.31 1.79 2.96 -1.26 -0.20 118.68 121.35 1wkh s LEU 222 Ca 0.41 -0.84 -0.09 0.00 -0.22 0.00 0.00 54.13 53.39 1wkh s LEU 222 Cb -0.10 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 44.84 1wkh s LEU 222 CO 0.32 -0.16 0.13 -0.63 -1.32 0.00 0.00 176.35 174.69 1wkh s ILE 223 N 1.38 4.41 -0.30 6.68 1.01 0.17 -0.93 121.20 133.62 1wkh s ILE 223 Ca 0.01 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 1wkh s ILE 223 Cb -0.17 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1wkh s ILE 223 CO -0.02 0.06 0.20 -0.76 0.00 0.00 0.00 174.94 174.43 1wkh s LEU 224 N 1.58 4.17 -0.63 2.97 1.43 -0.49 -1.43 118.68 126.28 1wkh s LEU 224 Ca 0.04 -0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 52.77 1wkh s LEU 224 Cb -0.17 -2.12 0.08 0.00 0.03 0.00 0.00 46.19 44.00 1wkh s LEU 224 CO 0.05 -0.11 0.88 -0.62 0.23 0.00 0.00 176.35 176.78 1wkh s ASP 225 N 1.74 6.19 -0.33 2.29 -1.08 0.06 -2.11 116.67 123.43 1wkh s ASP 225 Ca 0.07 -1.04 0.07 0.00 -0.52 0.00 0.00 52.55 51.13 1wkh s ASP 225 Cb -0.16 -2.39 0.51 0.00 -1.46 0.00 0.00 42.92 39.42 1wkh s ASP 225 CO 0.11 -1.32 1.50 -0.62 0.52 0.00 0.00 175.17 175.36 1wkh n GLU 226 N 7.29 2.12 -0.18 4.34 1.02 -0.44 -4.12 120.64 130.67 1wkh n GLU 226 Ca -0.05 -3.32 0.01 0.00 -0.02 0.00 0.00 57.16 53.78 1wkh n GLU 226 Cb 0.45 -1.93 0.26 0.00 -0.02 0.00 0.00 31.44 30.20 1wkh n GLU 226 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1wkh h ILE 227 N 1.14 1.19 0.00 -3.67 2.04 -1.85 0.11 117.51 116.46 1wkh h ILE 227 Ca 0.29 -0.38 -0.38 0.00 1.00 0.00 0.00 64.86 65.40 1wkh h ILE 227 Cb 1.65 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 1wkh h ILE 227 CO 0.57 0.19 -2.40 1.67 0.00 0.00 0.00 178.15 178.17 1wkh n GLN 228 N -4.41 0.67 0.20 2.37 7.27 -1.26 -4.14 117.38 118.07 1wkh n GLN 228 Ca 0.07 0.07 0.09 0.00 0.07 0.00 0.00 57.00 57.30 1wkh n GLN 228 Cb 0.06 -1.53 0.17 0.00 2.41 0.00 0.00 30.24 31.35 1wkh n GLN 228 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1wkh h THR 229 N 0.00 0.33 -3.41 1.69 1.35 -1.83 -3.45 112.91 107.59 1wkh h THR 229 Ca -0.55 -1.39 -0.42 0.00 -0.55 0.00 0.00 66.41 63.49 1wkh h THR 229 Cb 2.09 2.10 0.19 0.00 -1.73 0.00 0.00 68.15 70.80 1wkh h THR 229 CO -0.02 0.18 0.05 -0.83 -0.25 0.00 0.00 175.52 174.66 1wkh s GLY 230 N -4.30 1.53 -1.20 5.82 0.00 0.37 -3.49 107.32 106.05 1wkh s GLY 230 Ca 0.05 -0.53 -0.04 0.00 0.00 0.00 0.00 44.72 44.20 1wkh s GLY 230 CO 0.69 0.27 0.84 1.03 0.00 0.00 0.00 173.10 175.92 1wkh n MET 231 N -4.86 -4.35 0.00 2.90 2.81 -1.09 -3.21 117.12 109.32 1wkh n MET 231 Ca 0.07 0.72 0.00 0.00 -1.81 0.00 0.00 57.70 56.68 1wkh n MET 231 Cb 0.57 -5.38 0.00 0.00 -0.71 0.00 0.00 33.22 27.71 1wkh n MET 231 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wkh n GLY 232 N -1.39 2.64 0.32 3.03 0.00 -0.50 -4.91 105.19 104.37 1wkh n GLY 232 Ca -0.22 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.89 1wkh n GLY 232 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wkh h ARG 233 N 1.50 0.05 -0.44 1.61 9.65 -1.58 -2.05 114.38 123.11 1wkh h ARG 233 Ca 0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1wkh h ARG 233 Cb 0.00 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 1wkh h ARG 233 CO 0.00 0.03 0.00 0.25 2.80 0.00 0.00 179.97 183.05 1wkh n THR 234 N -5.45 0.63 -0.00 0.20 -2.24 -1.23 -1.31 114.28 104.88 1wkh n THR 234 Ca 0.18 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1wkh n THR 234 Cb 0.60 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1wkh n THR 234 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wkh n GLY 235 N 1.05 0.15 3.20 3.38 0.00 -0.77 -3.27 105.19 108.92 1wkh n GLY 235 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 1wkh n GLY 235 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wkh s LYS 236 N -0.99 0.91 0.21 1.61 -0.14 -1.26 -4.47 119.74 115.61 1wkh s LYS 236 Ca 0.00 -1.36 -0.18 0.00 -1.36 0.00 0.00 55.97 53.07 1wkh s LYS 236 Cb 0.00 -0.37 0.19 0.00 -1.68 0.00 0.00 37.83 35.97 1wkh s LYS 236 CO 0.00 0.02 1.58 -0.09 -0.76 0.00 0.00 175.35 176.10 1wkh h ARG 237 N 2.95 -0.10 -3.81 1.68 2.43 -1.94 -3.23 114.38 112.36 1wkh h ARG 237 Ca -0.36 0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 58.53 1wkh h ARG 237 Cb 1.18 0.02 -0.30 0.00 -0.42 0.00 0.00 29.97 30.44 1wkh h ARG 237 CO 0.63 -0.06 -0.73 -0.06 -1.51 0.00 0.00 179.97 178.24 1wkh s PHE 238 N -6.04 0.17 0.34 2.20 0.40 -1.26 -1.41 117.98 112.38 1wkh s PHE 238 Ca -0.14 0.00 0.13 0.00 -0.60 0.00 0.00 56.93 56.32 1wkh s PHE 238 Cb 0.18 -0.19 1.07 0.00 0.51 0.00 0.00 43.02 44.58 1wkh s PHE 238 CO 0.71 -0.05 1.62 0.00 0.70 0.00 0.00 175.22 178.20 1wkh h ALA 239 N 6.57 1.79 -0.22 5.36 0.00 -1.78 0.16 119.26 131.14 1wkh h ALA 239 Ca -0.33 0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1wkh h ALA 239 Cb 1.17 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1wkh h ALA 239 CO 0.50 -0.69 0.25 0.27 0.00 0.00 0.00 179.25 179.57 1wkh h PHE 240 N 0.14 0.00 0.00 0.00 -5.15 -1.97 0.28 116.94 110.24 1wkh h PHE 240 Ca 0.72 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.49 1wkh h PHE 240 Cb 1.72 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.89 1wkh h PHE 240 CO -0.13 0.00 0.00 0.39 -2.00 0.00 0.00 178.31 176.57 1wkh n GLU 241 N -3.76 0.21 0.02 6.09 1.02 0.56 -1.75 120.64 123.03 1wkh n GLU 241 Ca 0.02 0.15 -0.18 0.00 -0.02 0.00 0.00 57.16 57.14 1wkh n GLU 241 Cb 0.38 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.15 1wkh n GLU 241 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wkh h HIS 242 N 0.00 0.41 0.00 -0.32 3.86 -0.59 -3.39 115.15 115.11 1wkh h HIS 242 Ca 0.00 -0.30 -0.04 0.00 -1.16 0.00 0.00 60.37 58.87 1wkh h HIS 242 Cb 0.13 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1wkh h HIS 242 CO 0.00 1.51 -1.46 1.19 0.86 0.00 0.00 177.93 180.03 1wkh n PHE 243 N -3.40 0.60 -1.13 2.45 3.01 -0.85 -5.01 117.46 113.13 1wkh n PHE 243 Ca -0.24 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.40 1wkh n PHE 243 Cb 1.05 -0.82 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 1wkh n PHE 243 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wkh n GLY 244 N 1.26 0.70 3.43 1.37 0.00 -0.72 -4.99 105.19 106.25 1wkh n GLY 244 Ca -0.04 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 1wkh n GLY 244 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wkh s ILE 245 N -2.00 2.47 -0.22 -0.61 -4.36 -1.24 -5.10 121.20 110.14 1wkh s ILE 245 Ca 0.00 -1.76 0.01 0.00 -0.26 0.00 0.00 60.65 58.64 1wkh s ILE 245 Cb 0.00 -2.14 0.05 0.00 1.25 0.00 0.00 42.46 41.63 1wkh s ILE 245 CO 0.00 0.03 -0.08 -0.69 0.24 0.00 0.00 174.94 174.44 1wkh s VAL 246 N -1.26 1.65 1.12 8.37 1.01 -1.26 -4.76 120.40 125.26 1wkh s VAL 246 Ca 0.17 -1.17 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 1wkh s VAL 246 Cb -0.10 -1.81 0.25 0.00 0.00 0.00 0.00 36.38 34.72 1wkh s VAL 246 CO 0.08 0.03 1.08 -2.16 0.00 0.00 0.00 175.10 174.14 1wkh s PRO 247 N 1.36 -0.52 -0.02 2.72 0.04 -1.26 -4.98 135.00 132.35 1wkh s PRO 247 Ca -0.04 0.31 0.04 0.00 0.04 0.00 0.00 61.00 61.35 1wkh s PRO 247 Cb -0.18 -1.64 -0.25 0.00 0.04 0.00 0.00 34.50 32.47 1wkh s PRO 247 CO -0.07 -3.32 0.77 -0.44 0.04 0.00 0.00 177.00 173.98 1wkh h ASP 248 N -2.31 0.18 -3.46 6.66 3.45 -1.41 -3.46 116.42 116.06 1wkh h ASP 248 Ca -0.52 -0.30 -0.36 0.00 0.43 0.00 0.00 57.03 56.28 1wkh h ASP 248 Cb 1.32 -0.06 -0.34 0.00 -0.56 0.00 0.00 39.33 39.69 1wkh h ASP 248 CO 0.48 1.26 -0.75 -0.63 -1.57 0.00 0.00 179.24 178.02 1wkh s ILE 249 N -2.61 0.25 -0.13 0.35 1.01 -0.95 -1.81 121.20 117.30 1wkh s ILE 249 Ca -0.08 0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.63 1wkh s ILE 249 Cb 0.08 -0.34 -0.02 0.00 0.01 0.00 0.00 42.46 42.19 1wkh s ILE 249 CO 0.83 0.17 -0.12 -0.22 0.00 0.00 0.00 174.94 175.59 1wkh s LEU 250 N 1.11 2.77 -0.07 2.97 2.96 0.21 -1.39 118.68 127.24 1wkh s LEU 250 Ca -0.08 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1wkh s LEU 250 Cb -0.14 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1wkh s LEU 250 CO -0.02 0.17 -0.10 0.42 -1.32 0.00 0.00 176.35 175.50 1wkh s THR 251 N 0.35 3.44 0.15 3.68 -4.23 -0.90 -0.07 115.64 118.06 1wkh s THR 251 Ca -0.10 -0.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.84 1wkh s THR 251 Cb -0.16 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1wkh s THR 251 CO 0.05 0.59 0.00 -0.76 -0.54 0.00 0.00 174.62 173.96 1wkh s LEU 252 N -0.64 2.10 0.00 4.79 1.43 -0.29 -1.33 118.68 124.73 1wkh s LEU 252 Ca 0.10 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1wkh s LEU 252 Cb -0.11 0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.13 1wkh s LEU 252 CO 0.01 -0.59 0.00 0.00 0.23 0.00 0.00 176.35 176.00 1wkh n ALA 253 N -0.18 0.00 -0.33 4.21 0.00 -1.26 -1.97 120.51 120.98 1wkh n ALA 253 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1wkh n ALA 253 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1wkh n ALA 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wkh n LYS 254 N 0.00 0.00 0.05 0.00 4.76 -1.26 -0.62 118.16 121.10 1wkh n LYS 254 Ca 0.00 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.54 1wkh n LYS 254 Cb 0.00 0.00 0.41 0.00 -1.84 0.00 0.00 35.03 33.60 1wkh n LYS 254 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wkh n ALA 255 N 7.95 1.77 -0.31 7.82 0.00 -1.24 -3.76 120.51 132.75 1wkh n ALA 255 Ca 0.00 -0.01 0.22 0.00 0.00 0.00 0.00 53.44 53.65 1wkh n ALA 255 Cb 0.00 -1.33 0.51 0.00 0.00 0.00 0.00 19.45 18.63 1wkh n ALA 255 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wkh h LEU 256 N 0.00 0.44 -2.85 0.00 5.85 -1.16 -0.18 115.31 117.40 1wkh h LEU 256 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1wkh h LEU 256 Cb 0.35 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1wkh h LEU 256 CO 0.00 0.11 0.00 0.61 -0.34 0.00 0.00 178.44 178.82 1wkh n GLY 257 N -1.49 2.60 2.74 3.75 0.00 -1.25 -4.41 105.19 107.14 1wkh n GLY 257 Ca 0.24 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1wkh n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkh n GLY 258 N 1.41 1.24 0.00 -0.02 0.00 -0.08 -2.20 105.19 105.54 1wkh n GLY 258 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1wkh n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkh n GLY 259 N 0.08 1.70 3.72 -0.02 0.00 -1.26 -4.94 105.19 104.46 1wkh n GLY 259 Ca -0.13 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1wkh n GLY 259 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wkh s VAL 260 N -0.33 4.11 -0.21 1.61 1.01 -0.93 -4.92 120.40 120.73 1wkh s VAL 260 Ca 0.00 1.60 -0.36 0.00 0.00 0.00 0.00 61.98 63.21 1wkh s VAL 260 Cb 0.00 -4.02 -0.13 0.00 0.00 0.00 0.00 36.38 32.23 1wkh s VAL 260 CO 0.00 0.17 1.90 -2.65 0.00 0.00 0.00 175.10 174.52 1wkh n PRO 261 N 3.45 1.60 -3.64 2.72 -0.02 -1.26 -4.29 135.00 133.56 1wkh n PRO 261 Ca 0.07 0.56 -0.13 0.00 -2.02 0.00 0.00 63.50 61.97 1wkh n PRO 261 Cb 0.47 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 1wkh n PRO 261 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1wkh s LEU 262 N 4.64 -0.61 0.23 2.45 2.96 -1.25 -4.82 118.68 122.28 1wkh s LEU 262 Ca 0.98 1.37 -0.08 0.00 -0.22 0.00 0.00 54.13 56.18 1wkh s LEU 262 Cb -0.85 2.32 -0.02 0.00 0.50 0.00 0.00 46.19 48.14 1wkh s LEU 262 CO 0.56 -0.24 0.34 -0.83 -1.32 0.00 0.00 176.35 174.86 1wkh s GLY 263 N 0.44 0.89 -0.20 7.98 0.00 -0.95 -3.98 107.32 111.50 1wkh s GLY 263 Ca -0.01 -1.20 -0.27 0.00 0.00 0.00 0.00 44.72 43.24 1wkh s GLY 263 CO -0.00 -0.93 0.79 -1.34 0.00 0.00 0.00 173.10 171.61 1wkh s VAL 264 N -4.07 0.00 -0.30 1.40 -7.23 -0.83 -0.82 120.40 108.55 1wkh s VAL 264 Ca 0.29 0.00 -0.00 0.00 -1.81 0.00 0.00 61.98 60.45 1wkh s VAL 264 Cb 0.02 -1.00 0.06 0.00 0.56 0.00 0.00 36.38 36.02 1wkh s VAL 264 CO 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 175.10 174.87 1wkh s ALA 265 N -0.27 2.77 -0.17 1.32 0.00 -0.63 -1.14 121.76 123.64 1wkh s ALA 265 Ca -0.03 -1.83 -0.08 0.00 0.00 0.00 0.00 51.96 50.02 1wkh s ALA 265 Cb -0.03 -1.87 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 1wkh s ALA 265 CO 0.02 -1.29 0.12 0.08 0.00 0.00 0.00 175.76 174.70 1wkh s VAL 266 N 1.19 5.35 0.14 0.00 1.01 0.89 -1.05 120.40 127.95 1wkh s VAL 266 Ca -0.05 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1wkh s VAL 266 Cb -0.20 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1wkh s VAL 266 CO -0.03 0.51 0.08 0.00 0.00 0.00 0.00 175.10 175.67 1wkh s MET 267 N -0.15 0.99 0.81 2.72 0.23 0.28 0.67 119.30 124.84 1wkh s MET 267 Ca 0.10 -1.46 -0.11 0.00 -1.03 0.00 0.00 55.69 53.20 1wkh s MET 267 Cb -0.11 0.25 0.08 0.00 -1.53 0.00 0.00 34.83 33.52 1wkh s MET 267 CO 0.00 -0.29 1.12 1.03 -2.03 0.00 0.00 175.02 174.85 1wkh s ARG 268 N -4.06 1.89 0.24 3.16 0.52 -0.75 -2.22 118.95 117.72 1wkh s ARG 268 Ca 0.26 1.34 -0.01 0.00 -0.52 0.00 0.00 55.73 56.80 1wkh s ARG 268 Cb 0.07 -1.84 0.26 0.00 0.52 0.00 0.00 34.95 33.96 1wkh s ARG 268 CO 0.03 -1.95 1.64 1.05 0.02 0.00 0.00 175.30 176.10 1wkh h GLU 269 N -1.24 0.61 0.00 3.54 4.11 -1.93 -2.69 114.58 116.98 1wkh h GLU 269 Ca -0.44 -0.27 -0.03 0.00 0.07 0.00 0.00 59.36 58.69 1wkh h GLU 269 Cb 1.25 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1wkh h GLU 269 CO 0.48 0.84 -0.15 1.05 0.07 0.00 0.00 179.01 181.30 1wkh h GLU 270 N 0.52 0.00 0.06 1.06 9.09 -1.94 -1.10 114.58 122.27 1wkh h GLU 270 Ca 0.06 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.47 1wkh h GLU 270 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.88 1wkh h GLU 270 CO 0.06 0.15 -0.03 0.28 0.05 0.00 0.00 179.01 179.53 1wkh h VAL 271 N 0.00 1.27 -1.00 -1.06 2.07 -1.88 -3.11 116.25 112.55 1wkh h VAL 271 Ca -0.00 -1.41 0.02 0.00 0.82 0.00 0.00 66.70 66.14 1wkh h VAL 271 Cb 0.58 2.16 -0.05 0.00 -1.52 0.00 0.00 31.29 32.46 1wkh h VAL 271 CO 0.02 0.34 0.66 0.00 0.02 0.00 0.00 177.57 178.61 1wkh h ALA 272 N 0.09 1.32 0.00 1.67 0.00 -1.34 -2.53 119.26 118.48 1wkh h ALA 272 Ca -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1wkh h ALA 272 Cb 0.61 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wkh h ALA 272 CO 0.01 0.61 -0.10 -0.09 0.00 0.00 0.00 179.25 179.68 1wkh h ARG 273 N 1.31 0.00 0.00 0.00 2.43 -1.26 -2.33 114.38 114.53 1wkh h ARG 273 Ca 0.38 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1wkh h ARG 273 Cb -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1wkh h ARG 273 CO -0.10 0.10 0.00 0.77 -1.51 0.00 0.00 179.97 179.23 1wkh h SER 274 N 0.00 0.00 -2.87 -3.80 0.02 -1.38 -3.43 113.55 102.09 1wkh h SER 274 Ca -0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 1wkh h SER 274 Cb 0.20 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1wkh h SER 274 CO 0.01 0.00 0.92 -0.32 -1.14 0.00 0.00 176.83 176.30 1wkh s MET 275 N -3.51 4.23 0.74 3.45 -2.45 -0.88 -4.69 119.30 116.20 1wkh s MET 275 Ca 0.03 1.77 -0.14 0.00 -1.25 0.00 0.00 55.69 56.09 1wkh s MET 275 Cb 0.09 -3.78 0.04 0.00 1.25 0.00 0.00 34.83 32.43 1wkh s MET 275 CO 0.51 -0.71 1.18 -2.14 1.05 0.00 0.00 175.02 174.91 1wkh s PRO 276 N 3.45 2.15 0.19 4.11 0.02 -1.26 -4.87 135.00 138.78 1wkh s PRO 276 Ca 0.58 1.64 -0.33 0.00 0.02 0.00 0.00 61.00 62.92 1wkh s PRO 276 Cb -0.24 -1.85 -0.13 0.00 0.02 0.00 0.00 34.50 32.30 1wkh s PRO 276 CO 0.18 -1.80 1.64 1.63 -0.33 0.00 0.00 177.00 178.32 1wkh n LYS 277 N -2.86 2.45 -1.18 5.54 4.76 -1.26 -0.52 118.16 125.09 1wkh n LYS 277 Ca 0.12 0.88 -0.06 0.00 -2.87 0.00 0.00 58.31 56.39 1wkh n LYS 277 Cb 0.51 -2.69 -0.03 0.00 -1.84 0.00 0.00 35.03 30.99 1wkh n LYS 277 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wkh n GLY 278 N 3.61 0.81 0.27 0.72 0.00 -1.26 -4.86 105.19 104.47 1wkh n GLY 278 Ca 0.16 -0.34 0.17 0.00 0.00 0.00 0.00 46.02 46.01 1wkh n GLY 278 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wkh h GLY 279 N 0.00 0.00 -2.84 -0.02 0.00 -1.14 -3.45 103.07 95.62 1wkh h GLY 279 Ca -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1wkh h GLY 279 CO 0.19 0.00 0.05 -1.58 0.00 0.00 0.00 176.54 175.20 1wkh s HIS 280 N -3.60 -0.26 -0.04 5.60 5.65 -1.26 -5.00 115.29 116.38 1wkh s HIS 280 Ca 0.02 -0.05 -0.30 0.00 0.25 0.00 0.00 55.06 54.99 1wkh s HIS 280 Cb 0.08 0.40 0.11 0.00 -1.18 0.00 0.00 32.58 31.99 1wkh s HIS 280 CO 0.56 -0.84 1.32 0.20 -0.65 0.00 0.00 174.74 175.33 1wkh s GLY 281 N -2.82 -0.23 -0.29 1.59 0.00 -1.26 -5.10 107.32 99.21 1wkh s GLY 281 Ca 0.05 0.26 -0.19 0.00 0.00 0.00 0.00 44.72 44.84 1wkh s GLY 281 CO -0.08 4.43 0.96 -1.08 0.00 0.00 0.00 173.10 177.33 1wkh s THR 282 N -2.08 0.00 0.05 0.90 -1.32 -1.26 -5.05 115.64 106.88 1wkh s THR 282 Ca 0.26 0.00 -0.34 0.00 -1.21 0.00 0.00 61.69 60.40 1wkh s THR 282 Cb 0.01 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.81 1wkh s THR 282 CO -0.02 0.00 1.47 0.74 -2.21 0.00 0.00 174.62 174.60 1wkh h THR 283 N 4.46 0.10 0.00 5.08 2.02 -2.02 -3.26 112.91 119.29 1wkh h THR 283 Ca -0.28 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 66.73 1wkh h THR 283 Cb 1.19 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1wkh h THR 283 CO 0.16 0.00 -0.38 -0.26 0.37 0.00 0.00 175.52 175.41 1wkh h PHE 284 N -1.22 0.00 -2.22 3.16 0.05 -1.98 -3.45 116.94 111.28 1wkh h PHE 284 Ca -0.12 0.00 -0.56 0.00 3.82 0.00 0.00 57.97 61.12 1wkh h PHE 284 Cb 0.88 0.00 0.02 0.00 2.00 0.00 0.00 35.95 38.85 1wkh h PHE 284 CO -0.00 0.38 1.26 0.41 -0.18 0.00 0.00 178.31 180.18 1wkh n GLY 285 N 0.66 1.64 0.49 -1.45 0.00 -1.23 -1.36 105.19 103.94 1wkh n GLY 285 Ca 0.01 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.85 1wkh n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkh n GLY 286 N 4.78 0.66 3.77 -0.02 0.00 -1.26 -4.65 105.19 108.46 1wkh n GLY 286 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1wkh n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wkh s ASN 287 N -2.79 6.32 0.38 1.61 2.20 -0.46 -4.78 114.94 117.42 1wkh s ASN 287 Ca 0.00 3.04 0.17 0.00 -0.94 0.00 0.00 52.86 55.13 1wkh s ASN 287 Cb 0.00 -2.66 1.07 0.00 -2.00 0.00 0.00 41.25 37.66 1wkh s ASN 287 CO 0.00 -0.91 1.76 1.55 -2.94 0.00 0.00 177.10 176.56 1wkh h PRO 288 N 3.68 0.41 0.48 3.55 0.13 -1.81 -1.62 132.00 136.81 1wkh h PRO 288 Ca -0.50 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1wkh h PRO 288 Cb 1.23 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1wkh h PRO 288 CO 0.70 0.27 -0.23 1.25 -0.23 0.00 0.00 178.00 179.76 1wkh h LEU 289 N 0.42 -0.54 -0.72 1.56 5.85 -1.76 0.13 115.31 120.24 1wkh h LEU 289 Ca 0.61 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.31 1wkh h LEU 289 Cb 1.48 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.62 1wkh h LEU 289 CO -0.33 -0.34 0.44 0.00 -0.34 0.00 0.00 178.44 177.87 1wkh h ALA 290 N -0.21 0.92 -0.78 1.25 0.00 -1.79 -1.84 119.26 116.82 1wkh h ALA 290 Ca -0.07 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1wkh h ALA 290 Cb 0.52 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1wkh h ALA 290 CO 0.11 0.39 0.47 0.52 0.00 0.00 0.00 179.25 180.74 1wkh h MET 291 N 0.99 0.85 -0.42 0.00 2.86 -1.14 0.84 114.93 118.91 1wkh h MET 291 Ca 0.26 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.79 1wkh h MET 291 Cb -0.04 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.41 1wkh h MET 291 CO -0.05 0.56 0.01 0.00 1.06 0.00 0.00 176.91 178.49 1wkh h ALA 292 N 1.37 0.56 -0.70 6.32 0.00 -0.54 -1.78 119.26 124.50 1wkh h ALA 292 Ca 0.34 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1wkh h ALA 292 Cb 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1wkh h ALA 292 CO -0.17 0.33 0.34 0.00 0.00 0.00 0.00 179.25 179.76 1wkh h ALA 293 N 0.90 1.29 -0.19 0.00 0.00 -0.71 -1.96 119.26 118.59 1wkh h ALA 293 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1wkh h ALA 293 Cb 0.46 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wkh h ALA 293 CO 0.02 0.56 0.09 0.78 0.00 0.00 0.00 179.25 180.69 1wkh h GLY 294 N 1.05 0.30 0.74 0.00 0.00 -0.54 0.19 103.07 104.81 1wkh h GLY 294 Ca 0.24 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1wkh h GLY 294 CO -0.03 0.15 0.13 -2.08 0.00 0.00 0.00 176.54 174.70 1wkh h VAL 295 N 0.17 0.92 -0.25 4.60 2.07 -1.05 -0.21 116.25 122.49 1wkh h VAL 295 Ca 0.07 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1wkh h VAL 295 Cb 0.15 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1wkh h VAL 295 CO -0.01 0.05 0.14 0.00 0.02 0.00 0.00 177.57 177.78 1wkh h ALA 296 N 1.21 0.32 0.06 1.67 0.00 -1.16 0.45 119.26 121.81 1wkh h ALA 296 Ca 0.15 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1wkh h ALA 296 Cb 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1wkh h ALA 296 CO -0.15 -0.16 -0.13 0.00 0.00 0.00 0.00 179.25 178.81 1wkh h ALA 297 N 1.04 -0.20 -0.57 0.00 0.00 -0.18 -0.99 119.26 118.35 1wkh h ALA 297 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1wkh h ALA 297 Cb 0.04 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1wkh h ALA 297 CO -0.02 -0.64 0.30 0.82 0.00 0.00 0.00 179.25 179.72 1wkh h ILE 298 N -0.25 1.19 -0.40 0.00 2.04 -0.95 -1.37 117.51 117.76 1wkh h ILE 298 Ca 0.03 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1wkh h ILE 298 Cb 0.28 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1wkh h ILE 298 CO -0.08 0.21 0.22 0.03 0.00 0.00 0.00 178.15 178.53 1wkh h ARG 299 N 0.78 0.55 -0.11 2.37 3.08 -0.62 -0.44 114.38 119.98 1wkh h ARG 299 Ca 0.20 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.10 1wkh h ARG 299 Cb 0.07 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1wkh h ARG 299 CO -0.03 0.40 -0.32 -0.92 -1.07 0.00 0.00 179.97 178.03 1wkh h TYR 300 N 0.56 0.54 -0.36 3.04 3.20 -0.86 -2.08 116.97 121.01 1wkh h TYR 300 Ca 0.15 -0.22 0.07 0.00 3.14 0.00 0.00 58.73 61.87 1wkh h TYR 300 Cb 0.01 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 1wkh h TYR 300 CO 0.00 0.94 -0.04 1.25 -1.64 0.00 0.00 178.16 178.67 1wkh h LEU 301 N -0.01 -0.22 -0.46 2.82 5.85 -0.56 -1.49 115.31 121.25 1wkh h LEU 301 Ca -0.01 0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.66 1wkh h LEU 301 Cb 0.94 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1wkh h LEU 301 CO 0.07 -0.07 -0.33 -0.33 -0.34 0.00 0.00 178.44 177.43 1wkh h GLU 302 N 0.06 0.92 -0.36 1.25 4.39 -1.14 0.12 114.58 119.82 1wkh h GLU 302 Ca 0.17 -0.45 -0.12 0.00 0.34 0.00 0.00 59.36 59.30 1wkh h GLU 302 Cb 0.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1wkh h GLU 302 CO -0.32 1.11 -0.26 -0.09 -1.16 0.00 0.00 179.01 178.29 1wkh h ARG 303 N 0.77 0.81 -0.00 2.33 2.43 -1.19 -3.16 114.38 116.36 1wkh h ARG 303 Ca 0.07 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1wkh h ARG 303 Cb 0.92 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1wkh h ARG 303 CO 0.08 1.02 -0.37 0.25 -1.51 0.00 0.00 179.97 179.44 1wkh n THR 304 N -4.22 0.00 -4.14 0.20 -2.24 -0.58 -4.94 114.28 98.37 1wkh n THR 304 Ca -0.02 -0.04 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 1wkh n THR 304 Cb 0.46 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.90 1wkh n THR 304 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wkh n ARG 305 N -1.21 -3.48 -0.38 -0.78 3.00 0.40 -4.78 116.66 109.43 1wkh n ARG 305 Ca 0.08 0.40 0.37 0.00 -0.01 0.00 0.00 57.85 58.70 1wkh n ARG 305 Cb 0.34 -5.04 0.74 0.00 0.00 0.00 0.00 32.46 28.50 1wkh n ARG 305 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1wkh h LEU 306 N -1.64 0.04 -2.49 0.55 5.85 -1.77 0.03 115.31 115.88 1wkh h LEU 306 Ca -0.60 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.15 1wkh h LEU 306 Cb 1.38 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 1wkh h LEU 306 CO 0.74 -0.00 0.12 4.11 -0.34 0.00 0.00 178.44 183.07 1wkh h TRP 307 N 0.03 0.00 -0.23 1.25 0.09 -1.84 -2.09 115.95 113.16 1wkh h TRP 307 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.61 1wkh h TRP 307 Cb 2.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 31.67 1wkh h TRP 307 CO -0.00 0.00 0.14 0.93 0.09 0.00 0.00 178.44 179.60 1wkh h GLU 308 N 0.00 0.29 -0.97 0.12 4.39 -1.20 -0.07 114.58 117.13 1wkh h GLU 308 Ca 0.03 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.82 1wkh h GLU 308 Cb 0.27 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 28.78 1wkh h GLU 308 CO -0.00 0.19 0.61 0.00 -1.16 0.00 0.00 179.01 178.65 1wkh h ARG 309 N 0.29 0.97 -0.15 2.33 3.08 -1.58 0.49 114.38 119.81 1wkh h ARG 309 Ca 0.08 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 1wkh h ARG 309 Cb -0.02 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1wkh h ARG 309 CO -0.03 0.64 -0.51 0.00 -1.07 0.00 0.00 179.97 179.00 1wkh h ALA 310 N 1.51 0.84 -0.12 0.04 0.00 -1.50 0.49 119.26 120.51 1wkh h ALA 310 Ca 0.47 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1wkh h ALA 310 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wkh h ALA 310 CO -0.25 0.67 -0.41 0.00 0.00 0.00 0.00 179.25 179.27 1wkh h ALA 311 N 1.12 1.09 0.06 0.00 0.00 0.13 0.79 119.26 122.45 1wkh h ALA 311 Ca 0.01 -0.41 -0.29 0.00 0.00 0.00 0.00 54.91 54.22 1wkh h ALA 311 Cb 1.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1wkh h ALA 311 CO 0.09 0.59 -1.59 1.05 0.00 0.00 0.00 179.25 179.40 1wkh h GLU 312 N 0.23 0.13 -0.00 0.00 4.11 -0.03 -3.40 114.58 115.62 1wkh h GLU 312 Ca 0.02 -0.22 -0.15 0.00 0.07 0.00 0.00 59.36 59.08 1wkh h GLU 312 Cb 0.82 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1wkh h GLU 312 CO 0.06 1.11 -0.70 -0.07 0.07 0.00 0.00 179.01 179.48 1wkh h LEU 313 N -0.50 0.02 0.55 3.06 3.38 -0.09 -3.26 115.31 118.46 1wkh h LEU 313 Ca -0.38 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 1wkh h LEU 313 Cb 1.65 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.37 1wkh h LEU 313 CO -0.07 0.71 -0.50 1.23 0.09 0.00 0.00 178.44 179.91 1wkh h GLY 314 N 2.06 -1.25 0.88 0.83 0.00 -0.97 0.10 103.07 104.72 1wkh h GLY 314 Ca -0.01 0.57 0.03 0.00 0.00 0.00 0.00 47.33 47.93 1wkh h GLY 314 CO 0.09 -0.38 0.58 -2.55 0.00 0.00 0.00 176.54 174.27 1wkh h PRO 315 N -1.03 1.09 -0.47 4.80 0.11 -1.78 -0.96 132.00 133.75 1wkh h PRO 315 Ca -0.07 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 66.01 1wkh h PRO 315 Cb 0.88 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.71 1wkh h PRO 315 CO -0.03 0.72 0.26 2.35 -0.21 0.00 0.00 178.00 181.09 1wkh h TRP 316 N 1.12 0.49 0.03 0.65 7.01 -1.55 0.99 115.95 124.70 1wkh h TRP 316 Ca 0.35 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.37 1wkh h TRP 316 Cb -0.00 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 26.91 1wkh h TRP 316 CO -0.02 0.27 -0.02 0.35 -2.79 0.00 0.00 178.44 176.23 1wkh h PHE 317 N 0.52 -0.04 -0.68 2.65 3.57 -0.27 -2.81 116.94 119.88 1wkh h PHE 317 Ca 0.20 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1wkh h PHE 317 Cb 0.06 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 1wkh h PHE 317 CO -0.08 0.22 0.43 0.52 -2.23 0.00 0.00 178.31 177.17 1wkh h MET 318 N -0.30 0.90 0.14 1.11 2.86 -1.02 -1.26 114.93 117.36 1wkh h MET 318 Ca -0.00 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1wkh h MET 318 Cb 0.28 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1wkh h MET 318 CO 0.01 0.61 -0.07 1.49 1.06 0.00 0.00 176.91 180.01 1wkh h GLU 319 N 0.93 -0.18 -0.95 1.72 4.81 -0.71 -0.87 114.58 119.32 1wkh h GLU 319 Ca 0.25 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1wkh h GLU 319 Cb -0.08 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1wkh h GLU 319 CO -0.05 -0.09 0.62 0.87 -0.73 0.00 0.00 179.01 179.64 1wkh h LYS 320 N -0.22 1.17 -0.56 1.92 1.79 -1.22 -1.46 116.57 117.98 1wkh h LYS 320 Ca -0.02 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1wkh h LYS 320 Cb 0.18 -0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 1wkh h LYS 320 CO 0.03 0.77 0.32 -0.07 -1.08 0.00 0.00 179.45 179.43 1wkh h LEU 321 N 1.21 0.69 -0.68 2.94 3.38 -0.89 -2.68 115.31 119.28 1wkh h LEU 321 Ca 0.38 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1wkh h LEU 321 Cb -0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1wkh h LEU 321 CO -0.11 0.57 0.34 -0.09 0.09 0.00 0.00 178.44 179.23 1wkh h ARG 322 N 0.76 0.97 0.00 1.13 2.43 -0.56 -2.31 114.38 116.79 1wkh h ARG 322 Ca 0.20 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1wkh h ARG 322 Cb 0.02 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1wkh h ARG 322 CO -0.03 0.76 0.00 0.00 -1.51 0.00 0.00 179.97 179.18 1wkh h ALA 323 N 1.16 1.00 -2.13 2.80 0.00 -0.94 -3.42 119.26 117.73 1wkh h ALA 323 Ca 0.23 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.58 1wkh h ALA 323 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1wkh h ALA 323 CO -0.03 0.00 1.34 0.42 0.00 0.00 0.00 179.25 180.98 1wkh s ILE 324 N -3.80 3.12 -1.34 0.00 1.01 -0.87 -4.89 121.20 114.42 1wkh s ILE 324 Ca -0.03 0.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.58 1wkh s ILE 324 Cb 0.09 -3.12 0.04 0.00 0.01 0.00 0.00 42.46 39.49 1wkh s ILE 324 CO 0.30 -0.05 1.94 -0.81 0.00 0.00 0.00 174.94 176.31 1wkh n PRO 325 N 8.14 2.94 -4.04 2.79 -0.04 -1.26 -4.91 135.00 138.62 1wkh n PRO 325 Ca 0.24 -2.95 -0.22 0.00 -0.04 0.00 0.00 63.50 60.54 1wkh n PRO 325 Cb 0.44 -3.41 -0.17 0.00 -0.04 0.00 0.00 33.50 30.31 1wkh n PRO 325 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wkh s SER 326 N 3.97 1.37 0.00 3.54 0.15 -1.26 -5.01 113.70 116.46 1wkh s SER 326 Ca 0.52 -0.15 0.12 0.00 0.70 0.00 0.00 55.95 57.14 1wkh s SER 326 Cb 0.08 -0.53 0.73 0.00 -1.71 0.00 0.00 66.02 64.58 1wkh s SER 326 CO 0.02 -0.10 1.19 -0.81 1.20 0.00 0.00 173.24 174.74 1wkh n PRO 327 N 4.48 0.36 0.09 5.44 -0.04 -1.26 -2.26 135.00 141.81 1wkh n PRO 327 Ca -0.18 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.43 1wkh n PRO 327 Cb 0.51 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.70 1wkh n PRO 327 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1wkh h LYS 328 N 0.00 0.00 -5.80 0.54 1.57 -1.95 -3.45 116.57 107.48 1wkh h LYS 328 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1wkh h LYS 328 Cb 0.02 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.24 1wkh h LYS 328 CO 0.00 0.00 0.25 0.42 -0.57 0.00 0.00 179.45 179.55 1wkh s ILE 329 N -3.17 4.95 -0.23 1.86 1.01 -0.96 0.16 121.20 124.83 1wkh s ILE 329 Ca 0.07 1.40 -0.13 0.00 0.00 0.00 0.00 60.65 61.99 1wkh s ILE 329 Cb 0.12 -4.04 -0.17 0.00 0.01 0.00 0.00 42.46 38.38 1wkh s ILE 329 CO 0.68 0.07 -0.06 -2.11 0.00 0.00 0.00 174.94 173.52 1wkh n ARG 330 N 5.15 0.61 -3.63 2.79 -4.01 0.83 -4.90 116.66 113.50 1wkh n ARG 330 Ca 0.01 0.35 -0.16 0.00 -1.04 0.00 0.00 57.85 57.02 1wkh n ARG 330 Cb 0.49 -1.61 -0.07 0.00 -3.04 0.00 0.00 32.46 28.23 1wkh n ARG 330 CO 0.00 0.00 0.00 -2.00 -3.04 0.00 0.00 177.63 172.59 1wkh s GLU 331 N -2.47 0.86 -0.18 2.89 2.12 -0.93 -5.00 118.70 115.99 1wkh s GLU 331 Ca -0.33 0.15 -0.01 0.00 0.36 0.00 0.00 54.97 55.14 1wkh s GLU 331 Cb 0.10 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.89 1wkh s GLU 331 CO 0.58 -0.24 -0.14 0.08 -0.54 0.00 0.00 175.26 175.00 1wkh s VAL 332 N -1.07 2.70 0.22 3.70 1.01 -1.26 0.30 120.40 126.00 1wkh s VAL 332 Ca -0.11 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 1wkh s VAL 332 Cb -0.02 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1wkh s VAL 332 CO 0.07 0.50 0.26 0.00 0.00 0.00 0.00 175.10 175.92 1wkh s ARG 333 N 1.09 1.34 0.00 2.72 1.70 -0.14 -5.01 118.95 120.65 1wkh s ARG 333 Ca 0.00 -1.51 0.00 0.00 -0.47 0.00 0.00 55.73 53.75 1wkh s ARG 333 Cb -0.14 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.58 1wkh s ARG 333 CO -0.04 -0.49 0.00 0.41 -1.08 0.00 0.00 175.30 174.10 1wkh n GLY 334 N -0.32 0.51 2.81 3.88 0.00 -1.26 -0.30 105.19 110.51 1wkh n GLY 334 Ca 0.01 -1.84 -0.16 0.00 0.00 0.00 0.00 46.02 44.03 1wkh n GLY 334 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wkh s MET 335 N -1.46 0.01 6.82 1.61 1.75 -0.88 -4.98 119.30 122.17 1wkh s MET 335 Ca 0.00 0.43 0.00 0.00 -1.25 0.00 0.00 55.69 54.87 1wkh s MET 335 Cb 0.00 -0.30 0.00 0.00 2.84 0.00 0.00 34.83 37.37 1wkh s MET 335 CO 0.00 -0.26 0.00 0.41 -0.65 0.00 0.00 175.02 174.52 1wkh n GLY 336 N 4.92 2.84 2.16 2.11 0.00 -1.20 -2.21 105.19 113.80 1wkh n GLY 336 Ca -0.12 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 1wkh n GLY 336 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wkh n LEU 337 N 0.00 6.62 -4.12 0.99 4.77 -0.43 -4.21 117.00 120.63 1wkh n LEU 337 Ca 0.00 -3.55 -0.37 0.00 -0.03 0.00 0.00 56.01 52.06 1wkh n LEU 337 Cb 0.00 -0.84 -0.09 0.00 -2.33 0.00 0.00 43.42 40.16 1wkh n LEU 337 CO 0.00 1.07 0.03 -0.32 -1.33 0.00 0.00 177.39 176.84 1wkh s MET 338 N -3.13 2.55 0.02 3.23 1.75 -0.94 -4.36 119.30 118.43 1wkh s MET 338 Ca 0.54 -2.38 0.07 0.00 -1.25 0.00 0.00 55.69 52.67 1wkh s MET 338 Cb 0.45 -3.77 -0.03 0.00 2.84 0.00 0.00 34.83 34.32 1wkh s MET 338 CO 0.09 -1.17 -0.20 0.08 -0.65 0.00 0.00 175.02 173.17 1wkh s VAL 339 N 0.20 2.59 -0.02 10.11 1.01 -1.01 -2.08 120.40 131.21 1wkh s VAL 339 Ca 0.15 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 61.00 1wkh s VAL 339 Cb -0.20 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1wkh s VAL 339 CO -0.04 0.41 -0.13 -0.83 0.00 0.00 0.00 175.10 174.51 1wkh s GLY 340 N -1.20 0.64 -0.31 4.51 0.00 0.59 -0.35 107.32 111.20 1wkh s GLY 340 Ca 0.13 -0.53 0.02 0.00 0.00 0.00 0.00 44.72 44.34 1wkh s GLY 340 CO 0.03 -0.38 -0.00 -2.27 0.00 0.00 0.00 173.10 170.48 1wkh s LEU 341 N -0.17 4.16 -0.19 0.66 2.96 -0.22 -0.97 118.68 124.93 1wkh s LEU 341 Ca 0.02 -1.71 -0.23 0.00 -0.22 0.00 0.00 54.13 52.00 1wkh s LEU 341 Cb -0.06 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1wkh s LEU 341 CO -0.00 -0.30 0.71 -0.70 -1.32 0.00 0.00 176.35 174.73 1wkh s GLU 342 N 1.06 4.24 0.39 1.98 2.12 0.15 -1.79 118.70 126.85 1wkh s GLU 342 Ca 0.00 0.77 0.06 0.00 0.36 0.00 0.00 54.97 56.16 1wkh s GLU 342 Cb -0.20 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.61 1wkh s GLU 342 CO -0.05 -0.28 0.55 -0.51 -0.54 0.00 0.00 175.26 174.43 1wkh s LEU 343 N 2.02 3.78 -0.25 2.70 1.43 0.41 -0.12 118.68 128.65 1wkh s LEU 343 Ca 0.32 -0.18 0.09 0.00 -1.03 0.00 0.00 54.13 53.33 1wkh s LEU 343 Cb -0.16 -2.79 0.64 0.00 0.03 0.00 0.00 46.19 43.91 1wkh s LEU 343 CO 0.11 -0.62 1.61 0.29 0.23 0.00 0.00 176.35 177.97 1wkh n LYS 344 N -1.81 3.49 -3.85 1.70 5.02 0.12 -4.70 118.16 118.14 1wkh n LYS 344 Ca 0.03 -2.56 -0.05 0.00 -2.02 0.00 0.00 58.31 53.71 1wkh n LYS 344 Cb 0.58 -2.08 0.02 0.00 -0.02 0.00 0.00 35.03 33.53 1wkh n LYS 344 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1wkh s GLU 345 N -2.54 1.65 0.14 1.97 -1.05 -1.26 -5.09 118.70 112.52 1wkh s GLU 345 Ca 0.46 -1.05 -0.33 0.00 -0.15 0.00 0.00 54.97 53.90 1wkh s GLU 345 Cb 0.36 0.47 -0.12 0.00 -0.44 0.00 0.00 34.13 34.40 1wkh s GLU 345 CO 0.12 -0.77 1.73 1.63 0.95 0.00 0.00 175.26 178.92 1wkh n LYS 346 N -0.62 2.53 0.04 -4.83 5.02 -1.26 -4.43 118.16 114.60 1wkh n LYS 346 Ca -0.05 0.92 -0.09 0.00 -2.02 0.00 0.00 58.31 57.06 1wkh n LYS 346 Cb 0.60 -2.75 -0.13 0.00 -0.02 0.00 0.00 35.03 32.72 1wkh n LYS 346 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wkh h ALA 347 N 7.31 0.46 -0.82 7.82 0.00 -1.10 -3.39 119.26 129.54 1wkh h ALA 347 Ca -0.45 -1.10 0.16 0.00 0.00 0.00 0.00 54.91 53.52 1wkh h ALA 347 Cb 1.23 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.97 1wkh h ALA 347 CO 0.93 1.33 -0.21 0.00 0.00 0.00 0.00 179.25 181.29 1wkh h ALA 348 N 0.91 0.51 -0.86 0.00 0.00 -1.92 0.18 119.26 118.09 1wkh h ALA 348 Ca -0.13 0.31 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1wkh h ALA 348 Cb 1.88 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 20.25 1wkh h ALA 348 CO 0.12 -0.42 0.56 -1.35 0.00 0.00 0.00 179.25 178.16 1wkh h PRO 349 N -0.01 0.82 0.00 0.00 0.11 -1.97 -1.87 132.00 129.10 1wkh h PRO 349 Ca 0.39 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.37 1wkh h PRO 349 Cb 0.60 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1wkh h PRO 349 CO -0.84 0.54 -0.37 1.88 -0.21 0.00 0.00 178.00 179.00 1wkh h TYR 350 N 0.85 0.00 -0.09 0.65 -1.99 -1.23 -2.94 116.97 112.22 1wkh h TYR 350 Ca 0.39 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.92 1wkh h TYR 350 Cb 0.39 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.13 1wkh h TYR 350 CO -0.00 0.37 -0.79 0.82 -0.00 0.00 0.00 178.16 178.55 1wkh h ILE 351 N 0.00 1.35 -0.49 -2.88 2.04 -0.71 -2.06 117.51 114.76 1wkh h ILE 351 Ca -0.00 -2.14 -0.11 0.00 1.00 0.00 0.00 64.86 63.61 1wkh h ILE 351 Cb 1.06 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 1wkh h ILE 351 CO 0.05 0.65 -0.13 0.00 0.00 0.00 0.00 178.15 178.72 1wkh h ALA 352 N 0.76 0.85 0.00 1.87 0.00 -1.43 -3.01 119.26 118.30 1wkh h ALA 352 Ca -0.05 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1wkh h ALA 352 Cb 1.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1wkh h ALA 352 CO 0.15 0.65 -0.36 0.00 0.00 0.00 0.00 179.25 179.68 1wkh h ARG 353 N 0.82 0.00 -0.39 0.00 3.08 -1.48 -2.47 114.38 113.94 1wkh h ARG 353 Ca 0.13 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.04 1wkh h ARG 353 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1wkh h ARG 353 CO 0.05 0.36 -0.32 -0.07 -1.07 0.00 0.00 179.97 178.93 1wkh h LEU 354 N 0.00 0.91 0.27 3.04 3.38 -1.25 0.32 115.31 121.98 1wkh h LEU 354 Ca -0.00 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1wkh h LEU 354 Cb 1.08 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1wkh h LEU 354 CO 0.05 1.14 -0.13 -0.08 0.09 0.00 0.00 178.44 179.51 1wkh h GLU 355 N 0.73 -0.35 0.13 1.13 4.81 -1.32 0.13 114.58 119.83 1wkh h GLU 355 Ca 0.08 0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 59.06 1wkh h GLU 355 Cb 0.88 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1wkh h GLU 355 CO 0.08 -0.00 -1.24 0.87 -0.73 0.00 0.00 179.01 177.98 1wkh h LYS 356 N -0.81 0.27 0.00 1.92 1.57 -1.52 -0.99 116.57 117.01 1wkh h LYS 356 Ca -0.04 -0.47 -0.22 0.00 -1.87 0.00 0.00 60.65 58.06 1wkh h LYS 356 Cb 0.51 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 1wkh h LYS 356 CO 0.06 1.22 -1.48 0.93 -0.57 0.00 0.00 179.45 179.62 1wkh h GLU 357 N 0.07 0.00 0.00 3.15 5.08 -1.09 -3.41 114.58 118.39 1wkh h GLU 357 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1wkh h GLU 357 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.22 1wkh h GLU 357 CO 0.20 0.42 0.00 0.72 -1.00 0.00 0.00 179.01 179.36 1wkh n HIS 358 N -3.00 0.00 -3.70 4.33 8.25 -0.66 -5.02 115.22 115.42 1wkh n HIS 358 Ca -0.12 -0.12 -0.28 0.00 -0.26 0.00 0.00 57.72 56.95 1wkh n HIS 358 Cb 0.93 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 32.06 1wkh n HIS 358 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1wkh n ARG 359 N -0.12 -5.75 -4.63 -0.41 0.00 0.07 -4.89 116.66 100.93 1wkh n ARG 359 Ca 0.00 0.67 -0.33 0.00 -0.00 0.00 0.00 57.85 58.19 1wkh n ARG 359 Cb 0.24 -5.57 -0.16 0.00 -0.00 0.00 0.00 32.46 26.97 1wkh n ARG 359 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1wkh s VAL 360 N -3.25 2.12 -0.26 8.89 1.01 0.21 -1.38 120.40 127.73 1wkh s VAL 360 Ca 0.59 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1wkh s VAL 360 Cb -0.29 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1wkh s VAL 360 CO 0.73 0.55 0.18 -0.76 0.00 0.00 0.00 175.10 175.79 1wkh s LEU 361 N 0.84 4.05 0.27 3.92 1.43 -0.39 -2.21 118.68 126.57 1wkh s LEU 361 Ca -0.06 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1wkh s LEU 361 Cb -0.15 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 1wkh s LEU 361 CO -0.02 -0.01 0.06 0.00 0.23 0.00 0.00 176.35 176.61 1wkh s ALA 362 N 1.50 1.90 0.54 4.21 0.00 -1.26 -1.23 121.76 127.42 1wkh s ALA 362 Ca 0.07 -1.89 0.03 0.00 0.00 0.00 0.00 51.96 50.17 1wkh s ALA 362 Cb -0.15 0.82 0.02 0.00 0.00 0.00 0.00 23.12 23.81 1wkh s ALA 362 CO 0.09 -0.37 0.22 -0.51 0.00 0.00 0.00 175.76 175.19 1wkh s LEU 363 N -3.35 2.47 0.45 0.00 1.43 -0.63 -4.90 118.68 114.15 1wkh s LEU 363 Ca 0.35 -1.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.04 1wkh s LEU 363 Cb 0.08 -0.95 -0.05 0.00 0.03 0.00 0.00 46.19 45.29 1wkh s LEU 363 CO 0.13 -1.02 0.03 0.00 0.23 0.00 0.00 176.35 175.72 1wkh s GLN 364 N -4.11 2.07 -0.45 1.70 1.03 -1.26 -0.28 119.66 118.36 1wkh s GLN 364 Ca 0.20 -2.19 0.05 0.00 0.04 0.00 0.00 55.36 53.45 1wkh s GLN 364 Cb -0.01 -1.64 0.28 0.00 0.03 0.00 0.00 33.01 31.67 1wkh s GLN 364 CO 0.12 -0.18 1.05 0.00 -2.54 0.00 0.00 175.29 173.73 1wkh n ALA 365 N -1.12 -1.51 0.00 2.60 0.00 -0.83 -4.47 120.51 115.19 1wkh n ALA 365 Ca -0.10 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1wkh n ALA 365 Cb 0.67 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1wkh n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wkh n GLY 366 N 1.07 2.45 0.23 0.00 0.00 -1.23 -3.34 105.19 104.38 1wkh n GLY 366 Ca 0.06 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.41 1wkh n GLY 366 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wkh h PRO 367 N 0.00 0.00 -0.10 1.61 0.13 -1.97 -2.79 132.00 128.87 1wkh h PRO 367 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wkh h PRO 367 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wkh h PRO 367 CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 1wkh n THR 368 N -2.49 0.75 -5.02 1.56 -2.24 -1.26 -0.59 114.28 104.99 1wkh n THR 368 Ca -0.02 -0.88 -0.32 0.00 -2.27 0.00 0.00 64.05 60.56 1wkh n THR 368 Cb 0.17 0.65 -0.16 0.00 -2.10 0.00 0.00 70.33 68.89 1wkh n THR 368 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1wkh s VAL 369 N -0.84 2.38 -0.23 2.28 1.01 -1.05 -0.44 120.40 123.50 1wkh s VAL 369 Ca 0.08 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.01 1wkh s VAL 369 Cb 0.04 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1wkh s VAL 369 CO 0.06 0.55 0.35 -0.63 0.00 0.00 0.00 175.10 175.43 1wkh s ILE 370 N 0.40 5.22 -0.09 2.22 1.01 -0.74 -1.96 121.20 127.26 1wkh s ILE 370 Ca -0.15 0.57 -0.03 0.00 0.00 0.00 0.00 60.65 61.04 1wkh s ILE 370 Cb -0.17 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1wkh s ILE 370 CO 0.07 0.23 0.01 -0.60 0.00 0.00 0.00 174.94 174.65 1wkh s ARG 371 N 1.56 3.09 -0.21 2.79 3.52 0.62 -1.05 118.95 129.26 1wkh s ARG 371 Ca 0.16 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.37 1wkh s ARG 371 Cb -0.15 -2.84 0.03 0.00 -1.56 0.00 0.00 34.95 30.42 1wkh s ARG 371 CO 0.08 0.67 -0.15 -0.06 -0.81 0.00 0.00 175.30 175.03 1wkh s PHE 372 N -0.79 2.92 -0.44 5.12 0.08 0.52 -1.60 117.98 123.79 1wkh s PHE 372 Ca 0.12 -1.69 0.10 0.00 0.12 0.00 0.00 56.93 55.58 1wkh s PHE 372 Cb -0.12 -1.96 0.38 0.00 -0.57 0.00 0.00 43.02 40.76 1wkh s PHE 372 CO 0.02 -0.79 0.91 1.28 -0.10 0.00 0.00 175.22 176.55 1wkh n LEU 373 N 4.61 2.81 -4.79 -0.37 4.77 0.15 -2.41 117.00 121.78 1wkh n LEU 373 Ca -0.19 -5.02 -0.32 0.00 -0.03 0.00 0.00 56.01 50.45 1wkh n LEU 373 Cb 0.48 0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.67 1wkh n LEU 373 CO 0.26 2.17 0.72 -2.16 -1.33 0.00 0.00 177.39 177.04 1wkh s PRO 374 N -3.09 2.80 0.40 3.23 0.04 -1.20 -4.04 135.00 133.13 1wkh s PRO 374 Ca 0.42 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 62.41 1wkh s PRO 374 Cb 0.36 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.83 1wkh s PRO 374 CO -0.10 -1.23 1.33 -2.30 0.04 0.00 0.00 177.00 174.75 1wkh n PRO 375 N -2.75 2.14 0.00 0.56 -0.02 -1.26 -4.83 135.00 128.85 1wkh n PRO 375 Ca 0.09 0.76 0.04 0.00 -2.02 0.00 0.00 63.50 62.37 1wkh n PRO 375 Cb 0.53 -2.45 0.18 0.00 -0.02 0.00 0.00 33.50 31.74 1wkh n PRO 375 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1wkh n LEU 376 N 0.33 0.00 -0.10 2.45 4.77 -0.53 -1.57 117.00 122.34 1wkh n LEU 376 Ca 0.05 0.48 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 1wkh n LEU 376 Cb 0.39 -0.48 0.41 0.00 -2.33 0.00 0.00 43.42 41.40 1wkh n LEU 376 CO 0.61 -0.34 0.66 1.33 -1.33 0.00 0.00 177.39 178.31 1wkh n VAL 377 N -1.48 0.00 -1.65 4.08 0.24 -1.25 -4.66 118.33 113.60 1wkh n VAL 377 Ca 0.02 -0.05 -0.44 0.00 -2.04 0.00 0.00 64.34 61.82 1wkh n VAL 377 Cb 0.10 0.15 -0.02 0.00 -1.47 0.00 0.00 33.84 32.59 1wkh n VAL 377 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wkh n ILE 378 N -1.11 1.52 -2.72 1.34 3.06 -0.61 -4.89 119.36 115.95 1wkh n ILE 378 Ca 0.10 -0.38 -0.23 0.00 -2.50 0.00 0.00 62.75 59.74 1wkh n ILE 378 Cb 0.33 -1.31 0.03 0.00 0.54 0.00 0.00 39.64 39.23 1wkh n ILE 378 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1wkh s GLU 379 N -1.13 2.74 0.31 9.51 2.02 -1.26 -4.98 118.70 125.91 1wkh s GLU 379 Ca 0.63 -0.57 0.03 0.00 0.02 0.00 0.00 54.97 55.07 1wkh s GLU 379 Cb -0.66 -2.48 0.50 0.00 0.10 0.00 0.00 34.13 31.59 1wkh s GLU 379 CO 0.56 -0.58 1.79 0.87 0.02 0.00 0.00 175.26 177.92 1wkh h LYS 380 N 0.13 0.50 -0.90 1.61 1.57 -1.99 -2.31 116.57 115.18 1wkh h LYS 380 Ca -0.44 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.23 1wkh h LYS 380 Cb 1.28 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.48 1wkh h LYS 380 CO 0.55 0.63 0.58 0.93 -0.57 0.00 0.00 179.45 181.58 1wkh h GLU 381 N 0.46 1.08 -0.38 3.15 5.08 -1.99 0.63 114.58 122.61 1wkh h GLU 381 Ca 0.08 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1wkh h GLU 381 Cb 0.51 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1wkh h GLU 381 CO 0.03 0.72 -0.22 -0.44 -1.00 0.00 0.00 179.01 178.10 1wkh h ASP 382 N 1.11 0.85 -0.73 1.42 5.19 -1.88 -2.61 116.42 119.78 1wkh h ASP 382 Ca 0.37 -0.42 -0.06 0.00 -0.62 0.00 0.00 57.03 56.31 1wkh h ASP 382 Cb 0.04 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.28 1wkh h ASP 382 CO -0.13 1.08 0.24 -0.07 -3.12 0.00 0.00 179.24 177.25 1wkh h LEU 383 N 0.62 1.06 -0.89 1.55 3.38 -0.86 -2.16 115.31 118.01 1wkh h LEU 383 Ca 0.08 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1wkh h LEU 383 Cb 0.78 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1wkh h LEU 383 CO 0.06 0.97 0.38 -0.33 0.09 0.00 0.00 178.44 179.62 1wkh h GLU 384 N 1.09 1.18 -0.24 1.13 5.08 -0.82 -1.77 114.58 120.23 1wkh h GLU 384 Ca 0.24 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1wkh h GLU 384 Cb 0.28 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1wkh h GLU 384 CO -0.01 0.92 -0.24 0.00 -1.00 0.00 0.00 179.01 178.68 1wkh h ARG 385 N 1.17 0.46 -0.49 2.33 3.08 -1.11 -1.15 114.38 118.67 1wkh h ARG 385 Ca 0.28 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1wkh h ARG 385 Cb 0.13 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1wkh h ARG 385 CO -0.03 0.67 0.22 0.28 -1.07 0.00 0.00 179.97 180.03 1wkh h VAL 386 N 0.41 1.20 0.43 2.04 2.07 -0.81 0.22 116.25 121.81 1wkh h VAL 386 Ca 0.06 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1wkh h VAL 386 Cb 0.64 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1wkh h VAL 386 CO 0.05 0.22 -0.33 0.58 0.02 0.00 0.00 177.57 178.11 1wkh h VAL 387 N 0.64 0.31 -0.85 2.57 2.07 -0.92 0.72 116.25 120.79 1wkh h VAL 387 Ca 0.16 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.80 1wkh h VAL 387 Cb 0.15 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.15 1wkh h VAL 387 CO -0.02 0.00 0.48 -0.08 0.02 0.00 0.00 177.57 177.97 1wkh h GLU 388 N -0.76 0.72 -0.27 1.57 4.57 -0.97 0.64 114.58 120.08 1wkh h GLU 388 Ca -0.04 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1wkh h GLU 388 Cb 0.65 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1wkh h GLU 388 CO -0.00 0.48 0.17 0.00 -1.18 0.00 0.00 179.01 178.47 1wkh h ALA 389 N 1.51 0.34 -0.58 2.92 0.00 0.03 0.81 119.26 124.29 1wkh h ALA 389 Ca 0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1wkh h ALA 389 Cb 0.50 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1wkh h ALA 389 CO -0.30 -0.17 0.36 0.28 0.00 0.00 0.00 179.25 179.43 1wkh h VAL 390 N 0.34 1.17 -0.42 0.00 2.07 0.26 -0.98 116.25 118.69 1wkh h VAL 390 Ca 0.10 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1wkh h VAL 390 Cb -0.00 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1wkh h VAL 390 CO -0.02 0.17 0.27 -0.09 0.02 0.00 0.00 177.57 177.92 1wkh h ARG 391 N 0.79 0.54 -0.55 1.57 2.43 -0.55 -1.92 114.38 116.69 1wkh h ARG 391 Ca 0.21 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1wkh h ARG 391 Cb -0.04 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1wkh h ARG 391 CO -0.04 0.36 0.26 0.00 -1.51 0.00 0.00 179.97 179.03 1wkh h ALA 392 N 1.15 0.71 -0.11 2.80 0.00 -0.41 -2.46 119.26 120.94 1wkh h ALA 392 Ca 0.15 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1wkh h ALA 392 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1wkh h ALA 392 CO -0.04 0.28 -0.47 -0.39 0.00 0.00 0.00 179.25 178.63 1wkh h VAL 393 N 0.74 1.33 0.00 0.00 -1.51 -1.03 -3.17 116.25 112.60 1wkh h VAL 393 Ca 0.19 -1.66 -0.12 0.00 -1.23 0.00 0.00 66.70 63.88 1wkh h VAL 393 Cb 0.13 1.76 -0.02 0.00 -2.13 0.00 0.00 31.29 31.03 1wkh h VAL 393 CO -0.02 0.50 -0.57 -0.07 -1.23 0.00 0.00 177.57 176.17 1wkh h LEU 394 N 0.23 0.00 0.00 4.19 3.38 -1.23 -3.49 115.31 118.39 1wkh h LEU 394 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wkh h LEU 394 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1wkh h LEU 394 CO 0.07 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.18