#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oz0 s GLN 5 N 0.00 4.50 0.27 2.89 -2.07 -1.26 -4.92 119.66 119.06 1oz0 s GLN 5 Ca 0.00 1.93 -0.21 0.00 -1.82 0.00 0.00 55.36 55.26 1oz0 s GLN 5 Cb 0.00 -3.20 -0.09 0.00 -1.09 0.00 0.00 33.01 28.63 1oz0 s GLN 5 CO 0.00 -0.05 0.79 -0.65 -1.32 0.00 0.00 175.29 174.06 1oz0 s GLN 6 N -0.71 4.30 0.63 9.60 -0.21 -1.26 -4.44 119.66 127.57 1oz0 s GLN 6 Ca 0.51 0.97 0.07 0.00 0.02 0.00 0.00 55.36 56.92 1oz0 s GLN 6 Cb -0.34 -2.78 0.11 0.00 1.00 0.00 0.00 33.01 31.00 1oz0 s GLN 6 CO 0.40 0.32 0.87 -0.51 -2.12 0.00 0.00 175.29 174.25 1oz0 s LEU 7 N -2.15 3.03 -0.32 2.90 1.43 0.20 -2.73 118.68 121.04 1oz0 s LEU 7 Ca 0.47 -0.75 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1oz0 s LEU 7 Cb -0.16 -1.64 0.16 0.00 0.03 0.00 0.00 46.19 44.58 1oz0 s LEU 7 CO 0.21 -1.56 0.41 0.00 0.23 0.00 0.00 176.35 175.64 1oz0 s ALA 8 N -2.84 -1.03 -0.01 4.21 0.00 -0.33 0.01 121.76 121.77 1oz0 s ALA 8 Ca 0.64 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 1oz0 s ALA 8 Cb -0.05 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 1oz0 s ALA 8 CO 0.41 -1.89 0.96 -1.17 0.00 0.00 0.00 175.76 174.07 1oz0 s LEU 9 N 2.19 4.36 0.02 0.00 2.96 0.54 -2.19 118.68 126.55 1oz0 s LEU 9 Ca 0.12 1.61 0.06 0.00 -0.22 0.00 0.00 54.13 55.70 1oz0 s LEU 9 Cb -0.13 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1oz0 s LEU 9 CO -0.22 -0.26 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.63 1oz0 s LEU 10 N 1.05 2.70 -0.30 -0.68 1.02 0.12 -1.02 118.68 121.57 1oz0 s LEU 10 Ca 0.50 -0.35 -0.09 0.00 0.02 0.00 0.00 54.13 54.21 1oz0 s LEU 10 Cb -0.21 -1.57 0.19 0.00 0.02 0.00 0.00 46.19 44.62 1oz0 s LEU 10 CO 0.27 0.27 1.00 -0.55 0.02 0.00 0.00 176.35 177.36 1oz0 s SER 11 N -1.32 -0.53 -0.04 2.29 0.15 0.26 -4.35 113.70 110.16 1oz0 s SER 11 Ca 0.15 0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.85 1oz0 s SER 11 Cb -0.11 1.28 0.01 0.00 -1.71 0.00 0.00 66.02 65.50 1oz0 s SER 11 CO 0.05 -0.09 -0.07 0.68 1.20 0.00 0.00 173.24 175.00 1oz0 s VAL 12 N 2.87 0.74 0.24 4.45 -7.23 -1.26 -3.27 120.40 116.94 1oz0 s VAL 12 Ca 0.25 -0.27 0.07 0.00 -1.81 0.00 0.00 61.98 60.23 1oz0 s VAL 12 Cb -0.02 -0.70 -0.05 0.00 0.56 0.00 0.00 36.38 36.17 1oz0 s VAL 12 CO -0.23 0.26 1.56 0.77 -0.31 0.00 0.00 175.10 177.15 1oz0 h SER 13 N 6.89 0.13 -4.09 4.85 4.64 -1.87 -3.36 113.55 120.74 1oz0 h SER 13 Ca -0.35 -0.08 -0.71 0.00 -0.47 0.00 0.00 61.79 60.18 1oz0 h SER 13 Cb 1.17 -0.04 -0.34 0.00 -0.31 0.00 0.00 62.40 62.88 1oz0 h SER 13 CO 0.48 0.74 -0.29 -0.70 -0.87 0.00 0.00 176.83 176.19 1oz0 s GLU 14 N -3.60 2.74 -0.77 4.77 2.56 -1.26 -5.00 118.70 118.14 1oz0 s GLU 14 Ca -0.02 -2.60 -0.27 0.00 0.00 0.00 0.00 54.97 52.08 1oz0 s GLU 14 Cb 0.12 -3.83 0.03 0.00 2.00 0.00 0.00 34.13 32.46 1oz0 s GLU 14 CO 0.78 -1.19 1.30 0.15 -0.56 0.00 0.00 175.26 175.74 1oz0 s LYS 15 N -0.16 3.22 -0.07 4.30 3.01 -1.26 -4.95 119.74 123.84 1oz0 s LYS 15 Ca 0.18 -0.31 -0.03 0.00 -1.01 0.00 0.00 55.97 54.80 1oz0 s LYS 15 Cb -0.18 -4.30 0.04 0.00 -1.01 0.00 0.00 37.83 32.38 1oz0 s LYS 15 CO -0.04 -2.16 0.14 0.00 0.51 0.00 0.00 175.35 173.79 1oz0 s ALA 16 N 5.71 -0.23 0.00 5.17 0.00 -1.26 -4.74 121.76 126.41 1oz0 s ALA 16 Ca 0.36 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1oz0 s ALA 16 Cb -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1oz0 s ALA 16 CO 0.13 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1oz0 n GLY 17 N 4.41 0.18 0.36 0.00 0.00 -1.26 -4.84 105.19 104.04 1oz0 n GLY 17 Ca -0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 1oz0 n GLY 17 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1oz0 h LEU 18 N 0.00 -0.77 -0.38 0.99 5.85 -1.93 -2.01 115.31 117.06 1oz0 h LEU 18 Ca 0.00 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1oz0 h LEU 18 Cb 0.51 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.65 1oz0 h LEU 18 CO 0.00 -0.53 -0.39 0.58 -0.34 0.00 0.00 178.44 177.76 1oz0 h VAL 19 N -0.96 0.16 -0.53 1.05 2.07 -1.92 1.15 116.25 117.27 1oz0 h VAL 19 Ca -0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.58 1oz0 h VAL 19 Cb 0.70 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1oz0 h VAL 19 CO 0.15 0.00 0.38 -0.08 0.02 0.00 0.00 177.57 178.04 1oz0 h GLU 20 N -0.32 0.01 0.07 1.57 4.57 -1.97 0.34 114.58 118.86 1oz0 h GLU 20 Ca 0.14 -0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.13 1oz0 h GLU 20 Cb 0.57 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1oz0 h GLU 20 CO -0.54 0.01 -0.96 0.35 -1.18 0.00 0.00 179.01 176.68 1oz0 h PHE 21 N 0.01 0.27 -0.64 0.92 3.57 0.31 -2.91 116.94 118.48 1oz0 h PHE 21 Ca 0.25 -0.20 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1oz0 h PHE 21 Cb 1.00 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1oz0 h PHE 21 CO -0.00 1.37 0.42 0.00 -2.23 0.00 0.00 178.31 177.88 1oz0 h ALA 22 N -0.10 1.84 0.13 2.41 0.00 0.19 -1.45 119.26 122.28 1oz0 h ALA 22 Ca -0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1oz0 h ALA 22 Cb 1.48 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1oz0 h ALA 22 CO 0.01 0.04 -0.06 -0.09 0.00 0.00 0.00 179.25 179.15 1oz0 h ARG 23 N 0.58 -0.17 -0.20 0.00 2.43 -0.43 -2.03 114.38 114.56 1oz0 h ARG 23 Ca 0.28 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.52 1oz0 h ARG 23 Cb 0.36 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1oz0 h ARG 23 CO -0.09 0.11 0.28 0.77 -1.51 0.00 0.00 179.97 179.54 1oz0 h SER 24 N -0.44 0.00 0.44 -3.80 0.02 -1.09 -0.82 113.55 107.86 1oz0 h SER 24 Ca -0.02 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.62 1oz0 h SER 24 Cb 0.35 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.90 1oz0 h SER 24 CO 0.03 0.00 -1.47 -0.07 -1.14 0.00 0.00 176.83 174.18 1oz0 h LEU 25 N 0.00 0.51 -0.11 5.07 3.38 -0.86 -3.19 115.31 120.10 1oz0 h LEU 25 Ca 0.10 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1oz0 h LEU 25 Cb 0.66 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1oz0 h LEU 25 CO -0.00 1.51 0.00 -3.20 0.09 0.00 0.00 178.44 176.84 1oz0 n ASN 26 N -3.53 0.12 0.11 -0.43 4.05 -0.35 -1.34 115.26 113.88 1oz0 n ASN 26 Ca -0.15 0.53 0.05 0.00 0.45 0.00 0.00 54.58 55.45 1oz0 n ASN 26 Cb 1.05 -0.55 0.01 0.00 1.23 0.00 0.00 39.78 41.52 1oz0 n ASN 26 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1oz0 h ALA 27 N 2.50 0.68 -0.39 5.20 0.00 -1.44 -3.18 119.26 122.62 1oz0 h ALA 27 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1oz0 h ALA 27 Cb 0.29 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1oz0 h ALA 27 CO 0.00 0.50 0.00 1.28 0.00 0.00 0.00 179.25 181.03 1oz0 n LEU 28 N -2.99 3.82 -0.77 0.00 4.77 -0.45 -4.88 117.00 116.50 1oz0 n LEU 28 Ca -0.02 -1.94 -0.10 0.00 -0.03 0.00 0.00 56.01 53.93 1oz0 n LEU 28 Cb 0.70 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1oz0 n LEU 28 CO 0.40 0.52 -0.10 0.61 -1.33 0.00 0.00 177.39 177.49 1oz0 n GLY 29 N 0.55 1.09 3.72 -0.72 0.00 -1.20 -4.98 105.19 103.65 1oz0 n GLY 29 Ca 0.18 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1oz0 n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oz0 s LEU 30 N -2.30 4.35 -0.29 0.99 1.43 -1.05 -4.73 118.68 117.08 1oz0 s LEU 30 Ca 0.00 1.27 -0.26 0.00 -1.03 0.00 0.00 54.13 54.12 1oz0 s LEU 30 Cb 0.00 -3.14 0.01 0.00 0.03 0.00 0.00 46.19 43.09 1oz0 s LEU 30 CO 0.00 -0.08 0.90 -0.83 0.23 0.00 0.00 176.35 176.57 1oz0 s GLY 31 N 0.57 1.67 0.32 -3.19 0.00 -1.10 -4.24 107.32 101.35 1oz0 s GLY 31 Ca 0.38 -0.22 -0.20 0.00 0.00 0.00 0.00 44.72 44.68 1oz0 s GLY 31 CO 0.20 1.95 0.83 0.48 0.00 0.00 0.00 173.10 176.56 1oz0 s LEU 32 N 3.17 4.17 -0.02 0.66 0.05 -1.26 -1.18 118.68 124.27 1oz0 s LEU 32 Ca 0.38 1.54 0.02 0.00 0.05 0.00 0.00 54.13 56.12 1oz0 s LEU 32 Cb -0.14 -4.04 0.00 0.00 -2.05 0.00 0.00 46.19 39.96 1oz0 s LEU 32 CO 0.12 -0.15 -0.08 -0.63 -0.55 0.00 0.00 176.35 175.07 1oz0 s ILE 33 N -1.82 0.67 -0.20 1.48 1.01 -0.93 -2.83 121.20 118.57 1oz0 s ILE 33 Ca 0.52 -0.32 -0.32 0.00 0.00 0.00 0.00 60.65 60.54 1oz0 s ILE 33 Cb -0.14 -0.59 0.15 0.00 0.01 0.00 0.00 42.46 41.89 1oz0 s ILE 33 CO 0.19 0.21 1.19 0.00 0.00 0.00 0.00 174.94 176.52 1oz0 s ALA 34 N 0.10 -2.04 0.27 9.38 0.00 -1.11 0.13 121.76 128.49 1oz0 s ALA 34 Ca -0.01 1.66 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1oz0 s ALA 34 Cb -0.07 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1oz0 s ALA 34 CO 0.00 -0.42 0.01 -1.13 0.00 0.00 0.00 175.76 174.22 1oz0 n SER 35 N 0.30 2.73 0.00 0.00 3.41 -1.26 -3.68 113.62 115.11 1oz0 n SER 35 Ca -0.03 -2.19 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 1oz0 n SER 35 Cb 0.58 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 1oz0 n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oz0 n GLY 36 N 1.73 0.21 0.00 5.00 0.00 -1.26 -0.50 105.19 110.37 1oz0 n GLY 36 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1oz0 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oz0 n GLY 37 N 0.00 -2.13 0.37 -0.02 0.00 -1.26 -0.20 105.19 101.96 1oz0 n GLY 37 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1oz0 n GLY 37 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1oz0 h THR 38 N 0.00 0.03 0.28 2.61 2.02 -1.82 0.27 112.91 116.30 1oz0 h THR 38 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1oz0 h THR 38 Cb 0.00 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1oz0 h THR 38 CO 0.00 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.75 1oz0 h ALA 39 N 1.48 -0.38 -0.37 6.16 0.00 0.17 -1.86 119.26 124.47 1oz0 h ALA 39 Ca 0.36 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1oz0 h ALA 39 Cb 0.62 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1oz0 h ALA 39 CO -0.96 -0.67 0.13 1.15 0.00 0.00 0.00 179.25 178.91 1oz0 h THR 40 N -0.47 0.90 0.00 0.00 2.02 0.57 0.71 112.91 116.65 1oz0 h THR 40 Ca -0.04 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1oz0 h THR 40 Cb 0.35 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1oz0 h THR 40 CO 0.06 0.05 -0.02 0.00 0.37 0.00 0.00 175.52 175.99 1oz0 h ALA 41 N 1.23 1.42 0.00 6.16 0.00 -0.47 0.36 119.26 127.96 1oz0 h ALA 41 Ca 0.17 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1oz0 h ALA 41 Cb 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1oz0 h ALA 41 CO -0.16 0.03 -0.90 -0.07 0.00 0.00 0.00 179.25 178.14 1oz0 h LEU 42 N 0.00 0.00 0.14 0.00 4.07 -0.18 -3.26 115.31 116.08 1oz0 h LEU 42 Ca -0.00 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.68 1oz0 h LEU 42 Cb 0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1oz0 h LEU 42 CO 0.00 0.46 -1.38 0.03 -1.08 0.00 0.00 178.44 176.48 1oz0 h ARG 43 N 0.00 0.29 0.00 1.13 3.08 1.00 -2.93 114.38 116.95 1oz0 h ARG 43 Ca -0.07 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.48 1oz0 h ARG 43 Cb 1.41 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.65 1oz0 h ARG 43 CO 0.05 1.24 0.06 -0.25 -1.07 0.00 0.00 179.97 180.00 1oz0 n ASP 44 N -3.89 0.43 -0.62 7.04 8.00 0.11 0.55 116.55 128.17 1oz0 n ASP 44 Ca -0.23 0.68 0.12 0.00 0.71 0.00 0.00 54.79 56.07 1oz0 n ASP 44 Cb 0.93 -0.71 0.14 0.00 -0.02 0.00 0.00 41.12 41.46 1oz0 n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1oz0 n ALA 45 N -1.69 3.02 -1.99 2.24 0.00 -1.20 -5.00 120.51 115.88 1oz0 n ALA 45 Ca -0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 53.44 52.79 1oz0 n ALA 45 Cb 0.09 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 18.67 1oz0 n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oz0 n GLY 46 N 1.36 0.39 3.02 0.00 0.00 0.19 -5.08 105.19 105.07 1oz0 n GLY 46 Ca 0.12 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1oz0 n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oz0 s LEU 47 N -3.47 2.22 -0.62 0.99 1.43 -1.11 -5.03 118.68 113.09 1oz0 s LEU 47 Ca 0.09 -0.48 -0.26 0.00 -1.03 0.00 0.00 54.13 52.44 1oz0 s LEU 47 Cb -0.01 -0.07 -0.03 0.00 0.03 0.00 0.00 46.19 46.12 1oz0 s LEU 47 CO 0.18 -0.21 1.90 -2.84 0.23 0.00 0.00 176.35 175.60 1oz0 s PRO 48 N -1.38 2.58 -0.27 1.29 0.02 -1.26 -4.57 135.00 131.41 1oz0 s PRO 48 Ca -0.11 0.62 -0.02 0.00 0.02 0.00 0.00 61.00 61.51 1oz0 s PRO 48 Cb -0.09 -4.43 0.03 0.00 0.02 0.00 0.00 34.50 30.03 1oz0 s PRO 48 CO -0.00 -2.80 -0.04 0.08 -0.33 0.00 0.00 177.00 173.91 1oz0 s VAL 49 N 9.35 2.96 -0.28 3.83 1.01 -1.26 -4.28 120.40 131.72 1oz0 s VAL 49 Ca 0.69 -1.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1oz0 s VAL 49 Cb -0.13 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1oz0 s VAL 49 CO 0.20 0.09 0.58 -0.13 0.00 0.00 0.00 175.10 175.84 1oz0 s ARG 50 N 1.31 3.99 0.92 2.72 0.52 -1.13 -4.94 118.95 122.35 1oz0 s ARG 50 Ca -0.02 0.33 -0.12 0.00 -0.52 0.00 0.00 55.73 55.41 1oz0 s ARG 50 Cb -0.18 -3.69 0.09 0.00 0.52 0.00 0.00 34.95 31.70 1oz0 s ARG 50 CO -0.03 -0.46 0.80 -3.47 0.02 0.00 0.00 175.30 172.16 1oz0 n ASP 51 N 5.70 -0.75 0.19 0.23 -0.08 -1.26 -2.77 116.55 117.82 1oz0 n ASP 51 Ca -0.02 0.39 -0.14 0.00 -1.51 0.00 0.00 54.79 53.51 1oz0 n ASP 51 Cb 0.49 -1.35 -0.08 0.00 2.34 0.00 0.00 41.12 42.52 1oz0 n ASP 51 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1oz0 h VAL 52 N -1.65 0.66 0.00 5.18 2.07 -1.94 -2.46 116.25 118.11 1oz0 h VAL 52 Ca -0.43 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1oz0 h VAL 52 Cb 1.28 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1oz0 h VAL 52 CO 0.38 0.07 0.00 -1.54 0.02 0.00 0.00 177.57 176.50 1oz0 n SER 53 N -5.21 0.00 -0.12 0.57 3.41 -1.26 0.18 113.62 111.19 1oz0 n SER 53 Ca -0.10 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.35 1oz0 n SER 53 Cb 0.25 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.08 1oz0 n SER 53 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1oz0 n ASP 54 N -0.66 1.61 0.13 4.04 -0.08 -0.93 -2.50 116.55 118.16 1oz0 n ASP 54 Ca 0.00 -0.11 -0.01 0.00 -1.51 0.00 0.00 54.79 53.17 1oz0 n ASP 54 Cb 0.00 -0.09 0.15 0.00 2.34 0.00 0.00 41.12 43.51 1oz0 n ASP 54 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1oz0 h LEU 55 N 0.00 0.00 0.00 -2.67 5.85 -0.26 -3.28 115.31 114.95 1oz0 h LEU 55 Ca -0.56 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 57.93 1oz0 h LEU 55 Cb 1.95 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.94 1oz0 h LEU 55 CO -0.06 0.62 -2.21 0.35 -0.34 0.00 0.00 178.44 176.80 1oz0 n THR 56 N -3.63 0.89 0.00 1.05 -2.24 -1.02 -4.92 114.28 104.42 1oz0 n THR 56 Ca -0.01 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1oz0 n THR 56 Cb 0.66 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1oz0 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oz0 n GLY 57 N 1.56 2.69 3.72 3.38 0.00 -1.04 -4.97 105.19 110.54 1oz0 n GLY 57 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1oz0 n GLY 57 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1oz0 s PHE 58 N -0.63 2.96 1.01 1.61 2.19 -1.26 -4.89 117.98 118.97 1oz0 s PHE 58 Ca 0.00 0.55 -0.17 0.00 0.33 0.00 0.00 56.93 57.65 1oz0 s PHE 58 Cb 0.00 -4.02 0.26 0.00 -1.31 0.00 0.00 43.02 37.95 1oz0 s PHE 58 CO 0.00 -3.75 0.63 -0.35 1.83 0.00 0.00 175.22 173.58 1oz0 n PRO 59 N 3.68 -3.80 -3.39 10.12 -0.04 -1.26 -4.57 135.00 135.74 1oz0 n PRO 59 Ca 0.14 -1.06 -0.38 0.00 -0.04 0.00 0.00 63.50 62.16 1oz0 n PRO 59 Cb 0.37 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 1oz0 n PRO 59 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1oz0 s GLU 60 N -4.51 4.08 -0.04 0.54 2.56 -1.26 -4.93 118.70 115.14 1oz0 s GLU 60 Ca 0.47 0.54 0.03 0.00 0.00 0.00 0.00 54.97 56.01 1oz0 s GLU 60 Cb -0.08 -3.26 0.00 0.00 2.00 0.00 0.00 34.13 32.80 1oz0 s GLU 60 CO 0.39 0.60 -0.11 -1.64 -0.56 0.00 0.00 175.26 173.94 1oz0 s MET 61 N -0.86 1.24 -1.35 4.30 -1.94 -1.26 -4.83 119.30 114.60 1oz0 s MET 61 Ca 0.26 -0.38 -0.07 0.00 -1.71 0.00 0.00 55.69 53.79 1oz0 s MET 61 Cb -0.18 -1.11 0.00 0.00 2.01 0.00 0.00 34.83 35.56 1oz0 s MET 61 CO 0.15 0.13 0.47 1.28 -0.01 0.00 0.00 175.02 177.04 1oz0 n LEU 62 N 3.35 -2.07 0.00 -0.03 4.77 -1.26 -0.43 117.00 121.33 1oz0 n LEU 62 Ca -0.19 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 1oz0 n LEU 62 Cb 0.53 -2.15 0.00 0.00 -2.33 0.00 0.00 43.42 39.48 1oz0 n LEU 62 CO 0.25 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1oz0 n GLY 63 N -1.99 1.47 0.00 -0.72 0.00 -1.26 -3.53 105.19 99.16 1oz0 n GLY 63 Ca -0.25 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1oz0 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oz0 n GLY 64 N 0.00 0.54 0.26 -0.02 0.00 0.43 -5.03 105.19 101.37 1oz0 n GLY 64 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1oz0 n GLY 64 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1oz0 h ARG 65 N 0.00 0.00 -0.08 1.61 3.08 -1.59 -2.92 114.38 114.49 1oz0 h ARG 65 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1oz0 h ARG 65 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1oz0 h ARG 65 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 179.97 180.23 1oz0 n VAL 66 N -2.98 1.68 -0.18 2.04 0.24 -1.26 -4.74 118.33 113.13 1oz0 n VAL 66 Ca 0.01 -1.79 -0.01 0.00 -2.04 0.00 0.00 64.34 60.51 1oz0 n VAL 66 Cb 0.28 -0.01 0.09 0.00 -1.47 0.00 0.00 33.84 32.73 1oz0 n VAL 66 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1oz0 h LYS 67 N 0.50 0.18 0.00 7.34 1.57 -1.85 -2.50 116.57 121.81 1oz0 h LYS 67 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1oz0 h LYS 67 Cb 0.94 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1oz0 h LYS 67 CO 0.04 0.12 -0.75 0.25 -0.57 0.00 0.00 179.45 178.54 1oz0 n THR 68 N -5.18 0.19 -1.61 -0.16 -2.24 -1.26 -4.56 114.28 99.46 1oz0 n THR 68 Ca 0.07 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 1oz0 n THR 68 Cb 0.30 0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.64 1oz0 n THR 68 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1oz0 n LEU 69 N -1.89 7.45 -3.83 3.22 4.77 -0.94 -4.52 117.00 121.27 1oz0 n LEU 69 Ca 0.03 -4.21 -0.12 0.00 -0.03 0.00 0.00 56.01 51.68 1oz0 n LEU 69 Cb 0.41 -1.63 -0.11 0.00 -2.33 0.00 0.00 43.42 39.76 1oz0 n LEU 69 CO 0.38 1.41 -0.13 -2.28 -1.33 0.00 0.00 177.39 175.43 1oz0 s HIS 70 N 2.86 -0.11 0.27 -1.77 2.46 -1.26 -5.02 115.29 112.72 1oz0 s HIS 70 Ca 0.54 0.23 -0.02 0.00 0.47 0.00 0.00 55.06 56.28 1oz0 s HIS 70 Cb 0.15 0.03 0.58 0.00 -0.13 0.00 0.00 32.58 33.21 1oz0 s HIS 70 CO -0.08 -0.22 1.63 -1.35 -2.47 0.00 0.00 174.74 172.26 1oz0 h PRO 71 N 4.94 0.14 -0.70 2.88 0.11 -1.97 -0.71 132.00 136.70 1oz0 h PRO 71 Ca -0.28 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.96 1oz0 h PRO 71 Cb 1.19 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.17 1oz0 h PRO 71 CO 0.39 0.09 0.19 0.00 -0.21 0.00 0.00 178.00 178.46 1oz0 h ALA 72 N 1.77 0.89 0.31 -0.75 0.00 -1.94 1.80 119.26 121.34 1oz0 h ALA 72 Ca 0.49 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.53 1oz0 h ALA 72 Cb 0.93 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1oz0 h ALA 72 CO -0.69 -0.30 -0.15 0.28 0.00 0.00 0.00 179.25 178.40 1oz0 h VAL 73 N 0.31 0.00 -0.24 0.00 2.07 -1.41 -2.46 116.25 114.52 1oz0 h VAL 73 Ca 0.38 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.71 1oz0 h VAL 73 Cb 0.61 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1oz0 h VAL 73 CO -0.45 0.00 -0.20 0.45 0.02 0.00 0.00 177.57 177.40 1oz0 h HIS 74 N -0.53 0.48 -0.15 1.57 3.86 -1.24 0.99 115.15 120.11 1oz0 h HIS 74 Ca -0.04 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 1oz0 h HIS 74 Cb 0.32 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1oz0 h HIS 74 CO 0.10 0.61 0.07 0.00 0.86 0.00 0.00 177.93 179.57 1oz0 h ALA 75 N 1.40 0.20 -0.23 2.45 0.00 0.26 0.42 119.26 123.76 1oz0 h ALA 75 Ca 0.07 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1oz0 h ALA 75 Cb 0.57 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1oz0 h ALA 75 CO 0.04 -0.24 -0.09 0.78 0.00 0.00 0.00 179.25 179.74 1oz0 h GLY 76 N 0.11 0.11 0.73 0.00 0.00 -0.92 0.22 103.07 103.33 1oz0 h GLY 76 Ca 0.05 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 1oz0 h GLY 76 CO -0.01 -0.12 -0.18 -2.22 0.00 0.00 0.00 176.54 174.02 1oz0 h ILE 77 N -0.06 0.60 0.00 2.60 2.04 -0.57 -3.08 117.51 119.05 1oz0 h ILE 77 Ca 0.12 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1oz0 h ILE 77 Cb 0.24 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1oz0 h ILE 77 CO -0.27 0.08 0.00 0.18 0.00 0.00 0.00 178.15 178.14 1oz0 n LEU 78 N -5.20 0.00 -4.72 1.44 4.77 0.15 -4.85 117.00 108.59 1oz0 n LEU 78 Ca -0.10 0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 1oz0 n LEU 78 Cb 0.27 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1oz0 n LEU 78 CO 0.31 -0.09 1.08 0.00 -1.33 0.00 0.00 177.39 177.36 1oz0 s ALA 79 N -2.46 3.61 0.42 -1.18 0.00 0.77 -4.99 121.76 117.93 1oz0 s ALA 79 Ca 0.20 1.17 0.05 0.00 0.00 0.00 0.00 51.96 53.39 1oz0 s ALA 79 Cb 0.13 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1oz0 s ALA 79 CO 0.28 -0.63 0.59 1.03 0.00 0.00 0.00 175.76 177.03 1oz0 s ARG 80 N 0.74 2.90 -0.50 0.00 0.52 -1.26 -4.99 118.95 116.36 1oz0 s ARG 80 Ca 0.63 -0.98 -0.04 0.00 -0.52 0.00 0.00 55.73 54.83 1oz0 s ARG 80 Cb -0.38 -2.70 0.07 0.00 0.52 0.00 0.00 34.95 32.45 1oz0 s ARG 80 CO 0.33 -0.25 2.75 0.09 0.02 0.00 0.00 175.30 178.24 1oz0 n ASN 81 N -1.91 6.55 -4.13 0.23 5.03 -1.26 -4.48 115.26 115.29 1oz0 n ASN 81 Ca 0.05 -3.21 -0.21 0.00 0.87 0.00 0.00 54.58 52.08 1oz0 n ASN 81 Cb 0.59 -1.24 -0.14 0.00 -1.02 0.00 0.00 39.78 37.97 1oz0 n ASN 81 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1oz0 s ILE 82 N -2.24 1.10 0.07 2.41 -0.00 -1.26 -5.03 121.20 116.25 1oz0 s ILE 82 Ca 0.59 -0.84 -0.14 0.00 -0.00 0.00 0.00 60.65 60.25 1oz0 s ILE 82 Cb 0.38 -0.97 -0.03 0.00 -0.00 0.00 0.00 42.46 41.84 1oz0 s ILE 82 CO -0.22 0.12 1.08 -0.81 -0.00 0.00 0.00 174.94 175.10 1oz0 n PRO 83 N 2.22 -0.21 -0.33 0.37 -0.04 -1.26 -0.99 135.00 134.76 1oz0 n PRO 83 Ca -0.17 1.06 0.24 0.00 -0.04 0.00 0.00 63.50 64.60 1oz0 n PRO 83 Cb 0.55 -1.57 0.46 0.00 -0.04 0.00 0.00 33.50 32.90 1oz0 n PRO 83 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1oz0 h GLU 84 N 0.00 0.06 -0.00 0.54 3.07 -1.98 0.39 114.58 116.66 1oz0 h GLU 84 Ca 0.07 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1oz0 h GLU 84 Cb 0.19 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1oz0 h GLU 84 CO -0.44 0.04 -0.04 -0.44 -1.40 0.00 0.00 179.01 176.73 1oz0 h ASP 85 N 0.07 0.04 -0.87 1.42 5.19 -1.46 -3.23 116.42 117.57 1oz0 h ASP 85 Ca 0.73 -0.76 0.21 0.00 -0.62 0.00 0.00 57.03 56.59 1oz0 h ASP 85 Cb 1.77 -0.01 -0.12 0.00 0.18 0.00 0.00 39.33 41.14 1oz0 h ASP 85 CO -0.78 0.80 0.36 0.78 -3.12 0.00 0.00 179.24 177.27 1oz0 h ASN 86 N -0.71 0.29 0.59 6.45 -0.26 0.14 -1.09 115.58 120.98 1oz0 h ASN 86 Ca -0.00 0.15 -0.02 0.00 -0.56 0.00 0.00 56.30 55.86 1oz0 h ASN 86 Cb 0.80 0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 38.18 1oz0 h ASN 86 CO 0.01 0.01 -0.48 0.00 -1.06 0.00 0.00 177.43 175.90 1oz0 h ALA 87 N 1.69 -1.19 -0.68 -0.83 0.00 -0.73 -2.77 119.26 114.75 1oz0 h ALA 87 Ca 0.53 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.34 1oz0 h ALA 87 Cb 0.98 0.67 -0.12 0.00 0.00 0.00 0.00 17.79 19.32 1oz0 h ALA 87 CO -0.52 -1.19 -0.41 -0.44 0.00 0.00 0.00 179.25 176.70 1oz0 h ASP 88 N -1.05 -1.42 0.30 0.00 5.19 -1.24 0.31 116.42 118.51 1oz0 h ASP 88 Ca -0.08 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1oz0 h ASP 88 Cb 0.88 0.68 -0.03 0.00 0.18 0.00 0.00 39.33 41.03 1oz0 h ASP 88 CO -0.00 -0.31 -0.42 0.24 -3.12 0.00 0.00 179.24 175.63 1oz0 h MET 89 N -0.16 -0.74 -0.32 3.56 2.86 -1.29 0.23 114.93 119.07 1oz0 h MET 89 Ca 0.22 0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.87 1oz0 h MET 89 Cb 0.56 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1oz0 h MET 89 CO -0.75 -0.49 0.02 -0.97 1.06 0.00 0.00 176.91 175.77 1oz0 h ASN 90 N -0.77 0.45 0.53 1.22 -1.24 -1.33 1.04 115.58 115.48 1oz0 h ASN 90 Ca -0.02 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 56.91 1oz0 h ASN 90 Cb 0.72 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.64 1oz0 h ASN 90 CO -0.13 0.50 -0.46 0.50 -1.29 0.00 0.00 177.43 176.55 1oz0 h LYS 91 N 0.47 -0.94 0.00 6.67 3.64 -0.33 0.25 116.57 126.32 1oz0 h LYS 91 Ca 0.10 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1oz0 h LYS 91 Cb 0.28 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1oz0 h LYS 91 CO 0.01 -0.63 0.00 1.04 -2.27 0.00 0.00 179.45 177.60 1oz0 n GLN 92 N -5.55 0.76 -3.66 1.90 1.13 0.74 -4.88 117.38 107.81 1oz0 n GLN 92 Ca -0.12 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.71 1oz0 n GLN 92 Cb 0.45 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.36 1oz0 n GLN 92 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1oz0 n ASP 93 N -1.02 -4.24 -4.83 1.08 2.03 0.31 -4.99 116.55 104.89 1oz0 n ASP 93 Ca 0.18 -0.66 -0.37 0.00 0.52 0.00 0.00 54.79 54.46 1oz0 n ASP 93 Cb 0.09 -4.61 -0.06 0.00 -0.72 0.00 0.00 41.12 35.83 1oz0 n ASP 93 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1oz0 s PHE 94 N -3.38 3.65 0.33 -0.67 0.08 0.17 -4.96 117.98 113.20 1oz0 s PHE 94 Ca 0.39 0.79 -0.20 0.00 0.12 0.00 0.00 56.93 58.03 1oz0 s PHE 94 Cb -0.18 -2.19 -0.10 0.00 -0.57 0.00 0.00 43.02 39.99 1oz0 s PHE 94 CO 0.77 0.61 0.83 -1.12 -0.10 0.00 0.00 175.22 176.21 1oz0 s SER 95 N -0.82 6.98 -0.02 1.36 0.01 -1.26 -4.54 113.70 115.41 1oz0 s SER 95 Ca 0.20 1.52 -0.21 0.00 1.31 0.00 0.00 55.95 58.77 1oz0 s SER 95 Cb -0.15 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 1oz0 s SER 95 CO 0.09 -0.17 0.60 -0.76 0.41 0.00 0.00 173.24 173.41 1oz0 s LEU 96 N -2.64 4.39 -0.10 2.44 1.43 -1.26 -4.51 118.68 118.43 1oz0 s LEU 96 Ca 0.53 1.13 -0.17 0.00 -1.03 0.00 0.00 54.13 54.59 1oz0 s LEU 96 Cb -0.13 -2.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.12 1oz0 s LEU 96 CO 0.18 0.06 0.45 -0.69 0.23 0.00 0.00 176.35 176.59 1oz0 s VAL 97 N 0.04 5.16 -0.21 -1.59 1.01 -1.16 0.62 120.40 124.26 1oz0 s VAL 97 Ca 0.32 0.91 -0.01 0.00 0.00 0.00 0.00 61.98 63.19 1oz0 s VAL 97 Cb -0.18 -3.79 -0.13 0.00 0.00 0.00 0.00 36.38 32.28 1oz0 s VAL 97 CO 0.17 0.38 -0.21 -1.14 0.00 0.00 0.00 175.10 174.29 1oz0 n ARG 98 N 3.33 0.51 -4.75 2.72 0.63 0.10 -4.67 116.66 114.53 1oz0 n ARG 98 Ca -0.09 0.14 -0.33 0.00 -0.92 0.00 0.00 57.85 56.66 1oz0 n ARG 98 Cb 0.52 -1.39 -0.14 0.00 0.45 0.00 0.00 32.46 31.90 1oz0 n ARG 98 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1oz0 s VAL 99 N -2.42 3.18 -0.24 5.15 1.01 -1.16 -0.78 120.40 125.13 1oz0 s VAL 99 Ca -0.29 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1oz0 s VAL 99 Cb 0.08 -2.32 0.06 0.00 0.00 0.00 0.00 36.38 34.20 1oz0 s VAL 99 CO 0.46 0.54 -0.06 -0.69 0.00 0.00 0.00 175.10 175.35 1oz0 s VAL 100 N 0.06 1.68 -0.40 2.92 1.01 -0.64 -0.34 120.40 124.69 1oz0 s VAL 100 Ca -0.04 -1.35 -0.06 0.00 0.00 0.00 0.00 61.98 60.53 1oz0 s VAL 100 Cb -0.14 -1.92 0.09 0.00 0.00 0.00 0.00 36.38 34.40 1oz0 s VAL 100 CO 0.04 -0.11 0.21 -0.69 0.00 0.00 0.00 175.10 174.55 1oz0 s VAL 101 N 1.32 3.79 -0.12 2.92 1.01 -0.19 -2.10 120.40 127.03 1oz0 s VAL 101 Ca -0.06 -1.60 -0.06 0.00 0.00 0.00 0.00 61.98 60.27 1oz0 s VAL 101 Cb -0.19 -3.38 0.05 0.00 0.00 0.00 0.00 36.38 32.86 1oz0 s VAL 101 CO -0.06 -0.51 0.28 0.00 0.00 0.00 0.00 175.10 174.80 1oz0 s ASN 103 N 1.58 2.61 0.33 0.00 2.20 -1.20 -3.95 114.94 116.50 1oz0 s ASN 103 Ca -0.07 -0.79 0.08 0.00 -0.94 0.00 0.00 52.86 51.13 1oz0 s ASN 103 Cb -0.11 -0.15 -0.03 0.00 -2.00 0.00 0.00 41.25 38.97 1oz0 s ASN 103 CO -0.09 -0.00 0.24 -0.76 -2.94 0.00 0.00 177.10 173.55 1oz0 s LEU 104 N -2.38 3.52 -0.13 3.54 1.43 -1.26 -3.25 118.68 120.16 1oz0 s LEU 104 Ca 0.12 -0.55 -0.21 0.00 -1.03 0.00 0.00 54.13 52.46 1oz0 s LEU 104 Cb -0.07 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 1oz0 s LEU 104 CO 0.06 -0.31 0.61 -0.47 0.23 0.00 0.00 176.35 176.46 1oz0 s TYR 105 N -2.32 3.49 -0.58 0.29 5.04 -1.26 -4.80 117.35 117.21 1oz0 s TYR 105 Ca 0.39 1.03 -0.33 0.00 -2.44 0.00 0.00 57.07 55.72 1oz0 s TYR 105 Cb -0.05 -2.72 -0.14 0.00 0.35 0.00 0.00 41.96 39.39 1oz0 s TYR 105 CO 0.25 0.03 2.37 -2.30 -1.34 0.00 0.00 175.55 174.56 1oz0 n PRO 106 N 4.17 0.63 0.07 4.97 -0.02 -1.26 -4.69 135.00 138.88 1oz0 n PRO 106 Ca -0.03 0.11 0.04 0.00 -2.02 0.00 0.00 63.50 61.60 1oz0 n PRO 106 Cb 0.51 -2.27 0.22 0.00 -0.02 0.00 0.00 33.50 31.94 1oz0 n PRO 106 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1oz0 n PHE 107 N 10.94 0.28 0.17 6.00 7.35 -1.26 -0.02 117.46 140.92 1oz0 n PHE 107 Ca 0.49 0.14 -0.13 0.00 -0.76 0.00 0.00 57.45 57.19 1oz0 n PHE 107 Cb 0.20 -0.65 -0.08 0.00 0.35 0.00 0.00 39.48 39.30 1oz0 n PHE 107 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1oz0 h VAL 108 N 0.00 0.61 -0.82 -2.13 2.07 -1.95 -3.16 116.25 110.87 1oz0 h VAL 108 Ca 0.00 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 66.93 1oz0 h VAL 108 Cb 0.19 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1oz0 h VAL 108 CO 0.00 0.10 0.54 0.11 0.02 0.00 0.00 177.57 178.34 1oz0 h LYS 109 N -0.83 1.08 -0.34 1.57 1.57 -0.80 -2.71 116.57 116.11 1oz0 h LYS 109 Ca -0.05 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1oz0 h LYS 109 Cb 0.53 -0.24 -0.08 0.00 0.08 0.00 0.00 32.23 32.51 1oz0 h LYS 109 CO 0.08 0.72 -0.49 1.15 -0.57 0.00 0.00 179.45 180.34 1oz0 h THR 110 N 1.11 0.06 0.00 -0.16 2.02 -1.51 0.54 112.91 114.97 1oz0 h THR 110 Ca 0.30 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.44 1oz0 h THR 110 Cb -0.12 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.35 1oz0 h THR 110 CO -0.06 0.00 -0.21 -0.37 0.37 0.00 0.00 175.52 175.25 1oz0 h VAL 111 N -0.41 0.43 0.00 3.16 -1.51 -1.54 -3.20 116.25 113.18 1oz0 h VAL 111 Ca 0.10 -1.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.31 1oz0 h VAL 111 Cb 0.61 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 1oz0 h VAL 111 CO -0.54 0.20 -0.55 0.77 -1.23 0.00 0.00 177.57 176.22 1oz0 h SER 112 N 0.00 0.00 -4.10 4.19 4.64 -1.06 -3.46 113.55 113.76 1oz0 h SER 112 Ca -0.00 -0.14 -0.51 0.00 -0.47 0.00 0.00 61.79 60.67 1oz0 h SER 112 Cb 0.91 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.09 1oz0 h SER 112 CO 0.03 0.07 0.44 -0.55 -0.87 0.00 0.00 176.83 175.95 1oz0 s SER 113 N -4.58 5.46 0.17 4.97 0.15 0.12 -4.93 113.70 115.06 1oz0 s SER 113 Ca 0.06 2.25 -0.32 0.00 0.70 0.00 0.00 55.95 58.64 1oz0 s SER 113 Cb 0.12 -2.59 -0.16 0.00 -1.71 0.00 0.00 66.02 61.69 1oz0 s SER 113 CO 0.71 -1.40 1.08 -2.65 1.20 0.00 0.00 173.24 172.18 1oz0 n PRO 114 N -1.50 1.00 -1.08 5.44 -0.02 -1.26 -2.79 135.00 134.78 1oz0 n PRO 114 Ca 0.12 0.35 -0.03 0.00 -2.02 0.00 0.00 63.50 61.93 1oz0 n PRO 114 Cb 0.50 -1.79 -0.01 0.00 -0.02 0.00 0.00 33.50 32.18 1oz0 n PRO 114 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oz0 n GLY 115 N 1.90 0.30 3.75 -1.23 0.00 -1.26 -4.96 105.19 103.68 1oz0 n GLY 115 Ca 0.15 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1oz0 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oz0 s VAL 116 N -1.33 2.94 0.09 1.61 0.11 -1.12 -5.03 120.40 117.67 1oz0 s VAL 116 Ca 0.00 0.85 0.05 0.00 -2.93 0.00 0.00 61.98 59.95 1oz0 s VAL 116 Cb 0.00 -3.54 -0.04 0.00 -1.53 0.00 0.00 36.38 31.27 1oz0 s VAL 116 CO 0.00 0.16 -0.00 0.42 -3.33 0.00 0.00 175.10 172.35 1oz0 s THR 117 N -0.46 4.01 0.15 5.04 -4.23 -1.26 -5.03 115.64 113.87 1oz0 s THR 117 Ca 0.53 -0.98 -0.27 0.00 -1.18 0.00 0.00 61.69 59.79 1oz0 s THR 117 Cb -0.38 -2.91 -0.01 0.00 1.34 0.00 0.00 72.50 70.54 1oz0 s THR 117 CO 0.45 0.13 1.57 0.58 -0.54 0.00 0.00 174.62 176.80 1oz0 h VAL 118 N 2.90 0.10 -0.74 2.29 2.07 -1.99 0.16 116.25 121.04 1oz0 h VAL 118 Ca -0.48 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.26 1oz0 h VAL 118 Cb 1.16 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1oz0 h VAL 118 CO 0.60 0.00 0.68 -0.65 0.02 0.00 0.00 177.57 178.22 1oz0 h PRO 119 N -0.33 0.00 -0.16 1.57 0.11 -2.01 0.54 132.00 131.71 1oz0 h PRO 119 Ca 0.13 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.04 1oz0 h PRO 119 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1oz0 h PRO 119 CO -0.57 0.00 -0.71 0.93 -0.21 0.00 0.00 178.00 177.44 1oz0 h GLU 120 N 0.00 0.70 -0.30 1.05 5.08 -1.10 -3.27 114.58 116.73 1oz0 h GLU 120 Ca 0.35 -0.53 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1oz0 h GLU 120 Cb 1.71 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 1oz0 h GLU 120 CO -0.00 1.15 0.01 0.00 -1.00 0.00 0.00 179.01 179.17 1oz0 h ALA 121 N 0.70 0.41 -0.51 3.43 0.00 0.54 -3.10 119.26 120.74 1oz0 h ALA 121 Ca -0.03 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.75 1oz0 h ALA 121 Cb 1.32 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1oz0 h ALA 121 CO 0.14 0.15 -0.25 0.28 0.00 0.00 0.00 179.25 179.57 1oz0 h VAL 122 N 0.33 0.29 0.00 0.00 2.07 -1.46 -1.02 116.25 116.46 1oz0 h VAL 122 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1oz0 h VAL 122 Cb 0.42 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1oz0 h VAL 122 CO 0.01 0.00 -0.05 -0.33 0.02 0.00 0.00 177.57 177.23 1oz0 h GLU 123 N -0.13 0.00 -0.07 1.57 4.39 -1.60 -2.27 114.58 116.46 1oz0 h GLU 123 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1oz0 h GLU 123 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1oz0 h GLU 123 CO -0.59 0.05 0.00 1.17 -1.16 0.00 0.00 179.01 178.47 1oz0 n LYS 124 N -3.29 1.40 -2.33 2.33 3.00 -0.39 -4.82 118.16 114.05 1oz0 n LYS 124 Ca -0.01 -0.59 -0.43 0.00 -0.00 0.00 0.00 58.31 57.27 1oz0 n LYS 124 Cb 0.22 -1.38 -0.02 0.00 0.00 0.00 0.00 35.03 33.85 1oz0 n LYS 124 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1oz0 s ILE 125 N -1.91 3.99 0.24 3.15 1.01 -0.86 -4.97 121.20 121.84 1oz0 s ILE 125 Ca 0.33 1.09 -0.31 0.00 0.00 0.00 0.00 60.65 61.76 1oz0 s ILE 125 Cb 0.17 -4.05 -0.11 0.00 0.01 0.00 0.00 42.46 38.48 1oz0 s ILE 125 CO 0.26 -0.48 1.56 -0.62 0.00 0.00 0.00 174.94 175.66 1oz0 s ASP 126 N 3.38 6.51 -0.04 3.58 -1.08 -1.26 -4.91 116.67 122.85 1oz0 s ASP 126 Ca 0.61 2.77 0.02 0.00 -0.52 0.00 0.00 52.55 55.44 1oz0 s ASP 126 Cb -0.18 -2.62 -0.04 0.00 -1.46 0.00 0.00 42.92 38.63 1oz0 s ASP 126 CO 0.26 -0.84 -0.00 -0.38 0.52 0.00 0.00 175.17 174.73 1oz0 n ILE 127 N 2.93 0.24 -0.01 4.11 2.08 -1.26 -4.64 119.36 122.80 1oz0 n ILE 127 Ca 0.10 -0.13 -0.15 0.00 0.56 0.00 0.00 62.75 63.13 1oz0 n ILE 127 Cb 0.38 -0.83 -0.14 0.00 -0.75 0.00 0.00 39.64 38.30 1oz0 n ILE 127 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1oz0 n GLY 128 N 2.94 -0.75 0.50 7.39 0.00 -1.26 -3.51 105.19 110.50 1oz0 n GLY 128 Ca -0.06 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 1oz0 n GLY 128 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1oz0 h GLY 129 N 2.25 -1.28 -0.57 -0.02 0.00 -1.97 0.28 103.07 101.77 1oz0 h GLY 129 Ca -0.37 0.56 0.12 0.00 0.00 0.00 0.00 47.33 47.64 1oz0 h GLY 129 CO 0.08 -0.41 -0.33 -2.08 0.00 0.00 0.00 176.54 173.80 1oz0 h VAL 130 N -1.10 0.14 -0.05 4.60 2.07 -1.83 0.63 116.25 120.72 1oz0 h VAL 130 Ca -0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1oz0 h VAL 130 Cb 0.91 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1oz0 h VAL 130 CO 0.02 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.54 1oz0 h ALA 131 N 1.17 -0.04 0.12 1.67 0.00 -1.45 0.14 119.26 120.87 1oz0 h ALA 131 Ca 0.27 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1oz0 h ALA 131 Cb 0.56 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1oz0 h ALA 131 CO -0.76 -0.55 -0.33 -0.07 0.00 0.00 0.00 179.25 177.54 1oz0 h LEU 132 N -0.11 -0.94 -0.28 0.00 3.38 0.56 0.19 115.31 118.11 1oz0 h LEU 132 Ca 0.05 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1oz0 h LEU 132 Cb 0.17 0.36 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1oz0 h LEU 132 CO -0.11 -0.41 -0.12 -0.07 0.09 0.00 0.00 178.44 177.81 1oz0 h LEU 133 N -0.55 -0.42 -0.68 1.67 3.38 -0.65 0.42 115.31 118.48 1oz0 h LEU 133 Ca 0.03 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1oz0 h LEU 133 Cb 0.58 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1oz0 h LEU 133 CO -0.19 -0.16 0.38 0.03 0.09 0.00 0.00 178.44 178.60 1oz0 h ARG 134 N -0.08 0.94 0.14 1.13 3.08 -0.39 0.83 114.38 120.03 1oz0 h ARG 134 Ca 0.14 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1oz0 h ARG 134 Cb 0.30 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1oz0 h ARG 134 CO -0.33 0.70 -0.10 0.00 -1.07 0.00 0.00 179.97 179.17 1oz0 h ALA 135 N 1.19 -0.23 -0.60 0.04 0.00 0.17 0.82 119.26 120.66 1oz0 h ALA 135 Ca 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1oz0 h ALA 135 Cb 0.02 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1oz0 h ALA 135 CO -0.04 -0.64 0.31 0.00 0.00 0.00 0.00 179.25 178.88 1oz0 h ALA 136 N 0.61 0.77 -0.34 0.00 0.00 0.17 -2.77 119.26 117.71 1oz0 h ALA 136 Ca -0.01 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1oz0 h ALA 136 Cb 0.22 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1oz0 h ALA 136 CO -0.01 0.31 0.05 0.00 0.00 0.00 0.00 179.25 179.60 1oz0 h ALA 137 N 1.13 0.34 -0.16 0.00 0.00 0.11 -2.82 119.26 117.86 1oz0 h ALA 137 Ca 0.21 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1oz0 h ALA 137 Cb 0.09 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1oz0 h ALA 137 CO -0.03 -0.36 -0.01 -0.22 0.00 0.00 0.00 179.25 178.63 1oz0 h LYS 138 N 0.15 0.04 -1.44 0.00 3.64 -0.63 -2.56 116.57 115.76 1oz0 h LYS 138 Ca 0.16 -0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.30 1oz0 h LYS 138 Cb 0.19 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 31.89 1oz0 h LYS 138 CO -0.23 0.02 0.31 -1.71 -2.27 0.00 0.00 179.45 175.57 1oz0 n ASN 139 N -5.14 5.40 0.29 4.20 5.15 -1.06 -4.40 115.26 119.70 1oz0 n ASN 139 Ca -0.03 -2.84 0.16 0.00 -0.60 0.00 0.00 54.58 51.26 1oz0 n ASN 139 Cb 0.10 -0.95 0.87 0.00 -0.53 0.00 0.00 39.78 39.27 1oz0 n ASN 139 CO 0.00 0.00 0.00 1.12 1.40 0.00 0.00 177.26 179.78 1oz0 h HIS 140 N 1.09 0.00 0.00 1.20 2.07 -1.23 0.60 115.15 118.88 1oz0 h HIS 140 Ca 0.24 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.76 1oz0 h HIS 140 Cb 1.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.13 1oz0 h HIS 140 CO 0.67 0.06 0.19 0.00 -3.07 0.00 0.00 177.93 175.77 1oz0 n ALA 141 N -2.22 0.75 0.00 6.11 0.00 -1.26 -3.69 120.51 120.19 1oz0 n ALA 141 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1oz0 n ALA 141 Cb 0.18 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1oz0 n ALA 141 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1oz0 n ARG 142 N -1.93 0.00 -2.62 0.00 0.63 -0.28 -5.03 116.66 107.43 1oz0 n ARG 142 Ca -0.01 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.52 1oz0 n ARG 142 Cb 0.20 -0.04 -0.05 0.00 0.45 0.00 0.00 32.46 33.02 1oz0 n ARG 142 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1oz0 s VAL 143 N -1.92 3.80 -0.36 5.15 1.01 0.19 -4.99 120.40 123.28 1oz0 s VAL 143 Ca 0.00 1.78 -0.13 0.00 0.00 0.00 0.00 61.98 63.63 1oz0 s VAL 143 Cb 0.00 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 1oz0 s VAL 143 CO 0.00 0.39 0.25 -0.89 0.00 0.00 0.00 175.10 174.85 1oz0 s THR 144 N -1.22 5.14 -0.11 3.92 2.01 0.04 -4.23 115.64 121.18 1oz0 s THR 144 Ca 0.44 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 1oz0 s THR 144 Cb -0.28 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 1oz0 s THR 144 CO 0.35 -0.11 -0.08 0.54 -0.69 0.00 0.00 174.62 174.63 1oz0 s VAL 145 N 1.68 3.56 -0.16 3.82 0.11 -1.26 -1.62 120.40 126.53 1oz0 s VAL 145 Ca 0.05 -0.50 -0.04 0.00 -2.93 0.00 0.00 61.98 58.56 1oz0 s VAL 145 Cb -0.18 -2.49 0.05 0.00 -1.53 0.00 0.00 36.38 32.23 1oz0 s VAL 145 CO 0.10 0.55 0.06 0.54 -3.33 0.00 0.00 175.10 173.01 1oz0 s VAL 146 N -0.15 0.19 -0.63 2.04 0.11 -0.89 -4.57 120.40 116.49 1oz0 s VAL 146 Ca 0.01 -0.25 0.20 0.00 -2.93 0.00 0.00 61.98 59.01 1oz0 s VAL 146 Cb -0.13 -0.71 -0.24 0.00 -1.53 0.00 0.00 36.38 33.76 1oz0 s VAL 146 CO 0.03 -0.17 0.70 0.00 -3.33 0.00 0.00 175.10 172.33 1oz0 s ASP 148 N -3.32 5.24 0.64 0.00 2.15 -1.26 -4.40 116.67 115.72 1oz0 s ASP 148 Ca 0.03 -1.32 0.23 0.00 0.43 0.00 0.00 52.55 51.92 1oz0 s ASP 148 Cb 0.14 -1.84 1.19 0.00 -0.30 0.00 0.00 42.92 42.11 1oz0 s ASP 148 CO 0.81 -0.36 1.66 -0.65 -0.17 0.00 0.00 175.17 176.46 1oz0 h PRO 149 N 8.16 0.00 0.00 4.34 0.11 -1.89 0.89 132.00 143.61 1oz0 h PRO 149 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1oz0 h PRO 149 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1oz0 h PRO 149 CO 0.61 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 1oz0 n ALA 150 N -1.96 2.35 0.36 -0.75 0.00 -1.26 -2.81 120.51 116.44 1oz0 n ALA 150 Ca 0.04 -0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.39 1oz0 n ALA 150 Cb 0.70 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 1oz0 n ALA 150 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1oz0 n ASP 151 N -0.94 0.82 -0.09 0.00 8.00 0.31 -4.77 116.55 119.87 1oz0 n ASP 151 Ca 0.15 -0.60 -0.13 0.00 0.71 0.00 0.00 54.79 54.93 1oz0 n ASP 151 Cb 0.07 1.07 -0.09 0.00 -0.02 0.00 0.00 41.12 42.15 1oz0 n ASP 151 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1oz0 h TYR 152 N 0.00 -1.53 0.07 1.24 0.05 -1.67 -1.30 116.97 113.84 1oz0 h TYR 152 Ca 0.00 0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.86 1oz0 h TYR 152 Cb 0.25 0.70 -0.05 0.00 1.01 0.00 0.00 36.73 38.64 1oz0 h TYR 152 CO 0.00 -0.46 -0.52 1.03 -1.05 0.00 0.00 178.16 177.16 1oz0 h SER 153 N -0.41 -1.59 -0.37 3.88 0.87 -1.86 0.17 113.55 114.24 1oz0 h SER 153 Ca 0.05 0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 1oz0 h SER 153 Cb 0.56 0.59 -0.07 0.00 -0.44 0.00 0.00 62.40 63.04 1oz0 h SER 153 CO -0.50 -0.54 -0.49 -1.28 -0.53 0.00 0.00 176.83 173.49 1oz0 h SER 154 N -0.71 -1.65 0.22 6.23 0.87 -1.84 -1.17 113.55 115.50 1oz0 h SER 154 Ca 0.00 0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1oz0 h SER 154 Cb 0.73 0.68 -0.02 0.00 -0.44 0.00 0.00 62.40 63.35 1oz0 h SER 154 CO -0.31 -0.35 -0.31 0.58 -0.53 0.00 0.00 176.83 175.91 1oz0 h VAL 155 N -0.34 0.00 -0.97 2.23 2.07 -1.03 -0.97 116.25 117.23 1oz0 h VAL 155 Ca 0.07 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.91 1oz0 h VAL 155 Cb 0.52 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.13 1oz0 h VAL 155 CO -0.53 0.00 0.42 0.00 0.02 0.00 0.00 177.57 177.48 1oz0 h ALA 156 N -1.15 1.76 0.00 1.67 0.00 -0.50 1.34 119.26 122.38 1oz0 h ALA 156 Ca -0.03 0.24 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1oz0 h ALA 156 Cb 0.50 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1oz0 h ALA 156 CO -0.08 -0.65 -0.42 0.87 0.00 0.00 0.00 179.25 178.97 1oz0 h LYS 157 N 0.18 0.00 -0.33 0.00 1.57 -0.88 0.74 116.57 117.85 1oz0 h LYS 157 Ca 0.71 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.31 1oz0 h LYS 157 Cb 1.64 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.95 1oz0 h LYS 157 CO -0.70 0.42 -0.47 1.49 -0.57 0.00 0.00 179.45 179.62 1oz0 h GLU 158 N 0.00 0.90 -0.15 3.15 4.81 0.31 -1.72 114.58 121.88 1oz0 h GLU 158 Ca -0.00 -0.53 -0.21 0.00 -0.13 0.00 0.00 59.36 58.48 1oz0 h GLU 158 Cb 1.06 0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.49 1oz0 h GLU 158 CO 0.05 1.17 -0.75 0.52 -0.73 0.00 0.00 179.01 179.28 1oz0 h MET 159 N 0.70 0.73 0.56 1.92 2.86 -0.92 -1.31 114.93 119.48 1oz0 h MET 159 Ca 0.03 -0.59 -0.02 0.00 -2.06 0.00 0.00 59.70 57.06 1oz0 h MET 159 Cb 1.08 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 1oz0 h MET 159 CO 0.11 1.20 -0.40 0.00 1.06 0.00 0.00 176.91 178.88 1oz0 h ALA 160 N 0.64 -1.16 0.00 6.32 0.00 -0.81 -1.11 119.26 123.14 1oz0 h ALA 160 Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1oz0 h ALA 160 Cb 1.37 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1oz0 h ALA 160 CO 0.15 -1.14 0.00 0.00 0.00 0.00 0.00 179.25 178.26 1oz0 n ALA 161 N -2.64 2.24 -2.22 0.00 0.00 -0.65 -4.75 120.51 112.48 1oz0 n ALA 161 Ca -0.11 -0.03 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1oz0 n ALA 161 Cb 0.39 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 1oz0 n ALA 161 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1oz0 s SER 162 N -1.42 7.14 0.00 0.00 0.15 -0.42 -4.88 113.70 114.27 1oz0 s SER 162 Ca 0.07 2.09 0.00 0.00 0.70 0.00 0.00 55.95 58.80 1oz0 s SER 162 Cb 0.03 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1oz0 s SER 162 CO 0.05 -0.37 0.51 0.29 1.20 0.00 0.00 173.24 174.92 1oz0 n LYS 163 N 3.09 0.51 -0.44 5.44 5.02 -1.26 -1.43 118.16 129.09 1oz0 n LYS 163 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1oz0 n LYS 163 Cb 0.46 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 1oz0 n LYS 163 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1oz0 n ASP 164 N -0.48 0.00 -4.17 4.39 9.92 -1.26 -5.03 116.55 119.92 1oz0 n ASP 164 Ca 0.00 -1.24 -0.29 0.00 -0.53 0.00 0.00 54.79 52.73 1oz0 n ASP 164 Cb 0.00 -0.05 -0.07 0.00 -0.64 0.00 0.00 41.12 40.37 1oz0 n ASP 164 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1oz0 n LYS 165 N 0.00 -1.80 -4.08 -1.24 5.02 -0.51 -4.94 118.16 110.61 1oz0 n LYS 165 Ca 0.00 0.21 -0.12 0.00 -2.02 0.00 0.00 58.31 56.38 1oz0 n LYS 165 Cb 0.55 -3.91 -0.06 0.00 -0.02 0.00 0.00 35.03 31.59 1oz0 n LYS 165 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1oz0 s ASP 166 N -4.35 0.37 0.55 4.39 2.15 -1.24 -4.90 116.67 113.63 1oz0 s ASP 166 Ca 0.02 -1.25 -0.05 0.00 0.43 0.00 0.00 52.55 51.70 1oz0 s ASP 166 Cb -0.01 0.57 -0.00 0.00 -0.30 0.00 0.00 42.92 43.18 1oz0 s ASP 166 CO 0.96 -1.14 0.85 0.42 -0.17 0.00 0.00 175.17 176.09 1oz0 s THR 167 N -3.67 3.93 0.58 1.71 -4.23 -1.26 -4.01 115.64 108.70 1oz0 s THR 167 Ca 0.29 -0.02 -0.08 0.00 -1.18 0.00 0.00 61.69 60.70 1oz0 s THR 167 Cb 0.01 -3.53 -0.02 0.00 1.34 0.00 0.00 72.50 70.30 1oz0 s THR 167 CO 0.14 -0.52 0.93 -0.94 -0.54 0.00 0.00 174.62 173.69 1oz0 s SER 168 N -4.26 5.99 0.12 3.99 1.04 -1.26 -4.97 113.70 114.36 1oz0 s SER 168 Ca 0.52 1.06 -0.22 0.00 0.48 0.00 0.00 55.95 57.79 1oz0 s SER 168 Cb -0.10 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.82 1oz0 s SER 168 CO 0.44 -0.88 1.68 -0.37 0.98 0.00 0.00 173.24 175.09 1oz0 h VAL 169 N -0.15 0.66 0.58 5.02 -1.51 -1.96 -2.35 116.25 116.54 1oz0 h VAL 169 Ca -0.45 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 64.99 1oz0 h VAL 169 Cb 1.22 0.66 0.01 0.00 -2.13 0.00 0.00 31.29 31.05 1oz0 h VAL 169 CO 0.62 0.00 -0.28 1.05 -1.23 0.00 0.00 177.57 177.73 1oz0 h GLU 170 N -0.16 -0.75 -0.93 5.19 4.11 -1.97 -2.92 114.58 117.15 1oz0 h GLU 170 Ca 0.08 0.05 0.27 0.00 0.07 0.00 0.00 59.36 59.83 1oz0 h GLU 170 Cb 0.27 0.17 -0.15 0.00 0.50 0.00 0.00 28.75 29.54 1oz0 h GLU 170 CO -0.20 -0.45 0.33 1.15 0.07 0.00 0.00 179.01 179.91 1oz0 h THR 171 N -0.93 0.26 -0.22 -1.06 2.02 -1.96 1.17 112.91 112.19 1oz0 h THR 171 Ca -0.08 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1oz0 h THR 171 Cb 0.65 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1oz0 h THR 171 CO 0.13 0.04 0.11 0.03 0.37 0.00 0.00 175.52 176.20 1oz0 h ARG 172 N 0.21 0.30 -0.01 6.66 3.08 -1.24 -1.49 114.38 121.89 1oz0 h ARG 172 Ca 0.63 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.65 1oz0 h ARG 172 Cb 1.35 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 1oz0 h ARG 172 CO -0.68 0.23 -0.01 0.00 -1.07 0.00 0.00 179.97 178.45 1oz0 h ARG 173 N 0.31 0.02 -0.64 0.04 3.08 0.15 0.92 114.38 118.26 1oz0 h ARG 173 Ca 0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1oz0 h ARG 173 Cb 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1oz0 h ARG 173 CO -0.01 0.52 0.40 0.45 -1.07 0.00 0.00 179.97 180.26 1oz0 h HIS 174 N -0.49 0.81 -0.21 3.04 3.86 -1.04 0.18 115.15 121.31 1oz0 h HIS 174 Ca 0.00 0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.07 1oz0 h HIS 174 Cb 0.52 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1oz0 h HIS 174 CO 0.10 0.53 -0.47 -0.07 0.86 0.00 0.00 177.93 178.88 1oz0 h LEU 175 N 0.87 0.78 -0.63 2.43 3.38 -1.28 -2.21 115.31 118.65 1oz0 h LEU 175 Ca 0.23 -0.56 0.08 0.00 0.09 0.00 0.00 57.88 57.72 1oz0 h LEU 175 Cb -0.07 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.39 1oz0 h LEU 175 CO -0.05 1.20 0.29 0.00 0.09 0.00 0.00 178.44 179.97 1oz0 h ALA 176 N 0.61 0.83 -0.31 1.53 0.00 0.42 -0.76 119.26 121.57 1oz0 h ALA 176 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1oz0 h ALA 176 Cb 1.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1oz0 h ALA 176 CO 0.10 -0.10 0.16 1.25 0.00 0.00 0.00 179.25 180.67 1oz0 h LEU 177 N 0.52 0.24 -0.23 0.00 5.85 -0.54 -2.08 115.31 119.06 1oz0 h LEU 177 Ca 0.30 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.09 1oz0 h LEU 177 Cb 0.30 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1oz0 h LEU 177 CO -0.25 0.18 -0.16 0.11 -0.34 0.00 0.00 178.44 177.98 1oz0 h LYS 178 N 0.33 -0.14 0.18 1.25 1.57 -0.60 -0.92 116.57 118.24 1oz0 h LYS 178 Ca 0.13 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1oz0 h LYS 178 Cb 0.04 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1oz0 h LYS 178 CO -0.09 -0.10 -0.20 0.00 -0.57 0.00 0.00 179.45 178.50 1oz0 h ALA 179 N 1.00 -0.39 -0.15 3.86 0.00 -0.96 0.28 119.26 122.90 1oz0 h ALA 179 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1oz0 h ALA 179 Cb 0.34 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1oz0 h ALA 179 CO -0.32 -0.75 -0.04 0.74 0.00 0.00 0.00 179.25 178.89 1oz0 h PHE 180 N -0.42 0.22 -0.31 0.00 0.04 -1.26 -0.69 116.94 114.51 1oz0 h PHE 180 Ca 0.01 -0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 1oz0 h PHE 180 Cb 0.40 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1oz0 h PHE 180 CO -0.16 0.26 -0.23 1.15 -0.60 0.00 0.00 178.31 178.73 1oz0 h THR 181 N 0.21 1.30 -0.22 -1.55 2.02 -0.70 -1.26 112.91 112.72 1oz0 h THR 181 Ca 0.05 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 65.84 1oz0 h THR 181 Cb 0.21 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1oz0 h THR 181 CO 0.01 0.44 0.07 -0.74 0.37 0.00 0.00 175.52 175.68 1oz0 h HIS 182 N 0.45 0.29 0.17 3.16 -0.00 0.52 -1.89 115.15 117.86 1oz0 h HIS 182 Ca 0.06 -0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.10 1oz0 h HIS 182 Cb 0.79 -0.09 0.01 0.00 -0.00 0.00 0.00 27.41 28.11 1oz0 h HIS 182 CO 0.07 0.25 -1.52 1.79 -0.00 0.00 0.00 177.93 178.52 1oz0 h THR 183 N 0.30 1.20 -0.70 6.26 1.35 -1.00 -2.78 112.91 117.54 1oz0 h THR 183 Ca 0.08 -2.76 -0.02 0.00 -0.55 0.00 0.00 66.41 63.16 1oz0 h THR 183 Cb 0.09 2.87 -0.03 0.00 -1.73 0.00 0.00 68.15 69.34 1oz0 h THR 183 CO -0.01 0.84 0.36 0.00 -0.25 0.00 0.00 175.52 176.46 1oz0 h ALA 184 N 0.34 1.31 -0.31 6.62 0.00 -0.92 -1.62 119.26 124.68 1oz0 h ALA 184 Ca -0.25 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 1oz0 h ALA 184 Cb 2.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1oz0 h ALA 184 CO 0.20 0.55 -0.43 1.96 0.00 0.00 0.00 179.25 181.53 1oz0 h GLN 185 N 0.99 0.78 0.39 0.00 4.20 -1.43 -1.37 115.11 118.67 1oz0 h GLN 185 Ca 0.25 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1oz0 h GLN 185 Cb 0.06 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1oz0 h GLN 185 CO -0.04 1.06 -0.29 -0.92 -0.67 0.00 0.00 178.83 177.97 1oz0 h TYR 186 N 0.63 -0.77 0.00 2.96 3.20 -1.03 0.18 116.97 122.15 1oz0 h TYR 186 Ca 0.04 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 1oz0 h TYR 186 Cb 0.99 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 1oz0 h TYR 186 CO 0.05 -0.43 -0.53 -0.44 -1.64 0.00 0.00 178.16 175.18 1oz0 h ASP 187 N -0.67 0.00 -0.68 -2.11 3.32 -1.37 -1.74 116.42 113.17 1oz0 h ASP 187 Ca -0.04 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1oz0 h ASP 187 Cb 0.58 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1oz0 h ASP 187 CO 0.01 0.53 0.35 0.00 -1.72 0.00 0.00 179.24 178.40 1oz0 h ALA 188 N 1.47 1.30 -0.20 3.45 0.00 -0.86 0.68 119.26 125.10 1oz0 h ALA 188 Ca -0.01 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1oz0 h ALA 188 Cb 0.95 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1oz0 h ALA 188 CO 0.07 0.55 -0.37 0.00 0.00 0.00 0.00 179.25 179.49 1oz0 h ALA 189 N 1.40 0.98 -0.03 0.00 0.00 0.08 -1.58 119.26 120.11 1oz0 h ALA 189 Ca 0.24 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1oz0 h ALA 189 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1oz0 h ALA 189 CO -0.03 0.61 -0.11 0.82 0.00 0.00 0.00 179.25 180.54 1oz0 h ILE 190 N 0.38 1.47 -0.92 0.00 2.04 -0.39 -1.29 117.51 118.80 1oz0 h ILE 190 Ca 0.04 -1.55 0.18 0.00 1.00 0.00 0.00 64.86 64.53 1oz0 h ILE 190 Cb 0.83 2.42 -0.11 0.00 -0.74 0.00 0.00 36.82 39.22 1oz0 h ILE 190 CO 0.07 0.42 0.49 0.28 0.00 0.00 0.00 178.15 179.41 1oz0 h SER 191 N -0.45 0.58 0.48 1.72 0.02 0.41 0.22 113.55 116.53 1oz0 h SER 191 Ca -0.00 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1oz0 h SER 191 Cb 0.74 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1oz0 h SER 191 CO 0.02 0.19 -0.23 -0.78 -1.14 0.00 0.00 176.83 174.89 1oz0 h ASP 192 N 0.62 -0.55 -0.89 3.07 3.58 -1.21 -0.33 116.42 120.72 1oz0 h ASP 192 Ca 0.53 -0.06 0.13 0.00 0.42 0.00 0.00 57.03 58.04 1oz0 h ASP 192 Cb 0.84 0.14 -0.07 0.00 1.72 0.00 0.00 39.33 41.96 1oz0 h ASP 192 CO -0.41 -0.25 0.57 0.22 -2.88 0.00 0.00 179.24 176.50 1oz0 h TYR 193 N -0.86 0.88 -0.04 0.28 3.20 0.03 -0.83 116.97 119.63 1oz0 h TYR 193 Ca -0.07 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.67 1oz0 h TYR 193 Cb 0.58 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1oz0 h TYR 193 CO -0.00 0.35 -0.70 0.74 -1.64 0.00 0.00 178.16 176.91 1oz0 h PHE 194 N 0.77 0.28 -0.35 -3.82 -1.00 -0.52 -2.52 116.94 109.78 1oz0 h PHE 194 Ca 0.44 -0.12 -0.07 0.00 2.81 0.00 0.00 57.97 61.03 1oz0 h PHE 194 Cb 0.60 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.10 1oz0 h PHE 194 CO -0.00 0.84 -0.04 0.00 -1.61 0.00 0.00 178.31 177.50 1oz0 h ARG 195 N 0.14 0.64 -0.14 1.51 3.08 0.37 0.26 114.38 120.24 1oz0 h ARG 195 Ca -0.02 -0.22 -0.14 0.00 0.07 0.00 0.00 59.98 59.67 1oz0 h ARG 195 Cb 1.25 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1oz0 h ARG 195 CO 0.11 0.78 -0.50 0.87 -1.07 0.00 0.00 179.97 180.16 1oz0 h LYS 196 N 0.44 0.37 0.00 0.04 1.57 -1.41 0.48 116.57 118.06 1oz0 h LYS 196 Ca 0.09 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 1oz0 h LYS 196 Cb 0.52 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1oz0 h LYS 196 CO 0.03 0.79 -1.18 0.93 -0.57 0.00 0.00 179.45 179.45 1oz0 h GLU 197 N 0.30 0.00 0.00 3.15 4.39 -1.42 -3.39 114.58 117.61 1oz0 h GLU 197 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1oz0 h GLU 197 Cb 0.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1oz0 h GLU 197 CO 0.08 0.26 -0.98 0.66 -1.16 0.00 0.00 179.01 177.87 1oz0 n TYR 198 N -2.90 0.00 -1.31 4.33 4.01 0.90 -4.82 117.16 117.37 1oz0 n TYR 198 Ca -0.06 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.74 1oz0 n TYR 198 Cb 0.76 -0.02 0.19 0.00 -0.31 0.00 0.00 39.34 39.96 1oz0 n TYR 198 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1oz0 n SER 199 N -1.50 2.33 -4.71 7.72 7.64 0.17 -4.99 113.62 120.29 1oz0 n SER 199 Ca -0.00 -3.48 -0.42 0.00 1.01 0.00 0.00 58.87 55.98 1oz0 n SER 199 Cb 0.02 -0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 62.68 1oz0 n SER 199 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1oz0 s LYS 200 N -3.06 4.16 0.00 1.43 2.20 -1.19 -0.14 119.74 123.14 1oz0 s LYS 200 Ca 0.37 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.49 1oz0 s LYS 200 Cb 0.34 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 1oz0 s LYS 200 CO -0.00 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.66 1oz0 n GLY 201 N 3.99 1.19 0.43 5.54 0.00 0.01 -4.84 105.19 111.51 1oz0 n GLY 201 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1oz0 n GLY 201 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1oz0 n VAL 202 N -2.00 0.00 -0.01 1.61 0.31 0.80 -4.89 118.33 114.15 1oz0 n VAL 202 Ca 0.00 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1oz0 n VAL 202 Cb 0.00 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 1oz0 n VAL 202 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1oz0 n SER 203 N -2.36 0.79 -4.01 4.52 3.41 -0.72 0.52 113.62 115.77 1oz0 n SER 203 Ca 0.00 -0.90 -0.15 0.00 -0.26 0.00 0.00 58.87 57.56 1oz0 n SER 203 Cb 0.00 0.20 -0.13 0.00 -0.26 0.00 0.00 64.21 64.02 1oz0 n SER 203 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1oz0 s GLN 204 N -0.20 0.51 -0.14 4.33 -0.44 -0.93 -2.05 119.66 120.74 1oz0 s GLN 204 Ca 0.00 -0.46 -0.05 0.00 -2.50 0.00 0.00 55.36 52.36 1oz0 s GLN 204 Cb 0.00 -0.40 0.07 0.00 -1.64 0.00 0.00 33.01 31.04 1oz0 s GLN 204 CO 0.00 0.10 0.27 -1.17 0.50 0.00 0.00 175.29 174.98 1oz0 s LEU 205 N -0.77 -0.30 0.26 3.68 2.96 0.30 -0.81 118.68 123.98 1oz0 s LEU 205 Ca -0.03 0.52 -0.30 0.00 -0.22 0.00 0.00 54.13 54.11 1oz0 s LEU 205 Cb -0.06 0.70 -0.09 0.00 0.50 0.00 0.00 46.19 47.24 1oz0 s LEU 205 CO 0.00 -0.25 0.98 -2.16 -1.32 0.00 0.00 176.35 173.60 1oz0 s PRO 206 N 2.42 4.79 0.19 0.98 0.04 -1.26 0.62 135.00 142.77 1oz0 s PRO 206 Ca 0.02 1.55 0.05 0.00 0.04 0.00 0.00 61.00 62.67 1oz0 s PRO 206 Cb -0.12 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1oz0 s PRO 206 CO -0.09 0.43 0.16 -0.51 0.04 0.00 0.00 177.00 177.03 1oz0 s LEU 207 N -1.30 3.82 0.39 -3.56 1.43 0.23 -4.90 118.68 114.79 1oz0 s LEU 207 Ca 0.42 -0.15 0.12 0.00 -1.03 0.00 0.00 54.13 53.50 1oz0 s LEU 207 Cb -0.27 -2.41 0.94 0.00 0.03 0.00 0.00 46.19 44.47 1oz0 s LEU 207 CO 0.34 0.04 1.90 0.03 0.23 0.00 0.00 176.35 178.88 1oz0 h ARG 208 N 2.18 0.54 0.00 1.70 3.08 -1.85 -3.39 114.38 116.63 1oz0 h ARG 208 Ca -0.48 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1oz0 h ARG 208 Cb 1.21 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1oz0 h ARG 208 CO 0.63 0.35 0.00 2.48 -1.07 0.00 0.00 179.97 182.36 1oz0 n TYR 209 N -4.52 0.00 0.00 3.04 0.18 -1.26 -4.95 117.16 109.65 1oz0 n TYR 209 Ca 0.16 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.94 1oz0 n TYR 209 Cb 0.50 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.46 1oz0 n TYR 209 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1oz0 n GLY 210 N -0.24 -0.11 0.30 -7.48 0.00 0.30 -2.63 105.19 95.33 1oz0 n GLY 210 Ca 0.00 -1.15 0.13 0.00 0.00 0.00 0.00 46.02 44.99 1oz0 n GLY 210 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1oz0 h MET 211 N 0.00 0.00 -3.56 1.61 1.85 -1.96 -3.37 114.93 109.50 1oz0 h MET 211 Ca 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 59.00 1oz0 h MET 211 Cb 0.00 0.00 -0.16 0.00 0.43 0.00 0.00 31.60 31.87 1oz0 h MET 211 CO 0.00 0.00 -0.33 -0.80 -0.40 0.00 0.00 176.91 175.38 1oz0 s ASN 212 N -6.51 0.00 0.56 1.39 0.01 -1.26 -4.91 114.94 104.23 1oz0 s ASN 212 Ca -0.05 -0.41 0.27 0.00 -0.71 0.00 0.00 52.86 51.96 1oz0 s ASN 212 Cb 0.16 0.33 1.46 0.00 0.41 0.00 0.00 41.25 43.61 1oz0 s ASN 212 CO 0.62 -0.64 1.80 -0.65 -1.51 0.00 0.00 177.10 176.71 1oz0 h PRO 213 N 3.11 0.00 -0.29 -0.60 0.11 -1.94 -0.21 132.00 132.18 1oz0 h PRO 213 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1oz0 h PRO 213 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1oz0 h PRO 213 CO 0.50 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.90 1oz0 n HIS 214 N -2.67 0.38 -3.75 0.65 1.44 -1.26 -4.71 115.22 105.31 1oz0 n HIS 214 Ca -0.02 -0.19 -0.37 0.00 -2.01 0.00 0.00 57.72 55.14 1oz0 n HIS 214 Cb 0.32 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.32 1oz0 n HIS 214 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1oz0 s GLN 215 N -1.62 2.10 0.02 -1.40 -0.21 -0.09 -5.06 119.66 113.40 1oz0 s GLN 215 Ca 0.31 -1.88 0.01 0.00 0.02 0.00 0.00 55.36 53.82 1oz0 s GLN 215 Cb 0.17 -3.63 -0.02 0.00 1.00 0.00 0.00 33.01 30.52 1oz0 s GLN 215 CO 0.23 -1.10 -0.05 0.45 -2.12 0.00 0.00 175.29 172.71 1oz0 s SER 216 N 1.81 0.55 0.80 5.90 0.15 -1.26 -0.53 113.70 121.12 1oz0 s SER 216 Ca 0.09 -0.40 -0.05 0.00 0.70 0.00 0.00 55.95 56.28 1oz0 s SER 216 Cb -0.23 0.03 0.16 0.00 -1.71 0.00 0.00 66.02 64.27 1oz0 s SER 216 CO -0.04 -0.16 1.11 -2.16 1.20 0.00 0.00 173.24 173.18 1oz0 s PRO 217 N -1.13 1.30 -0.00 5.44 0.04 -1.26 -5.07 135.00 134.30 1oz0 s PRO 217 Ca -0.09 -0.94 -0.11 0.00 0.04 0.00 0.00 61.00 59.91 1oz0 s PRO 217 Cb -0.08 -2.18 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1oz0 s PRO 217 CO -0.00 -1.79 0.22 0.00 0.04 0.00 0.00 177.00 175.46 1oz0 s ALA 218 N -3.39 -0.54 0.28 8.56 0.00 -1.26 -4.76 121.76 120.65 1oz0 s ALA 218 Ca 0.69 0.07 -0.21 0.00 0.00 0.00 0.00 51.96 52.52 1oz0 s ALA 218 Cb -0.04 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1oz0 s ALA 218 CO 0.47 -0.23 0.72 1.14 0.00 0.00 0.00 175.76 177.86 1oz0 s GLN 219 N -1.38 1.79 -0.05 0.00 -2.07 -1.26 -0.60 119.66 116.09 1oz0 s GLN 219 Ca -0.14 -1.00 0.03 0.00 -1.82 0.00 0.00 55.36 52.43 1oz0 s GLN 219 Cb -0.06 0.61 0.00 0.00 -1.09 0.00 0.00 33.01 32.47 1oz0 s GLN 219 CO 0.03 -0.82 -0.15 -1.17 -1.32 0.00 0.00 175.29 171.86 1oz0 s LEU 220 N -2.92 1.83 0.25 2.60 2.96 0.20 -4.88 118.68 118.71 1oz0 s LEU 220 Ca 0.11 -0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 53.52 1oz0 s LEU 220 Cb -0.06 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.74 1oz0 s LEU 220 CO 0.07 0.11 0.58 -0.72 -1.32 0.00 0.00 176.35 175.06 1oz0 s TYR 221 N 0.27 0.04 0.06 5.38 -0.85 -1.26 0.11 117.35 121.09 1oz0 s TYR 221 Ca -0.08 -0.43 0.01 0.00 -0.52 0.00 0.00 57.07 56.05 1oz0 s TYR 221 Cb -0.13 0.43 -0.03 0.00 0.38 0.00 0.00 41.96 42.61 1oz0 s TYR 221 CO 0.03 -1.06 -0.05 -0.08 -1.52 0.00 0.00 175.55 172.86 1oz0 s THR 222 N -3.95 0.44 -1.99 -3.49 -1.32 -0.87 -5.01 115.64 99.45 1oz0 s THR 222 Ca 0.15 -1.51 0.10 0.00 -1.21 0.00 0.00 61.69 59.23 1oz0 s THR 222 Cb -0.03 -1.12 0.30 0.00 -1.51 0.00 0.00 72.50 70.14 1oz0 s THR 222 CO 0.05 -0.71 1.25 0.35 -2.21 0.00 0.00 174.62 173.35 1oz0 n THR 223 N 0.67 0.46 -2.78 5.08 -2.24 -1.26 -4.84 114.28 109.36 1oz0 n THR 223 Ca -0.17 -0.45 -0.20 0.00 -2.27 0.00 0.00 64.05 60.96 1oz0 n THR 223 Cb 0.58 0.22 0.03 0.00 -2.10 0.00 0.00 70.33 69.07 1oz0 n THR 223 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1oz0 s ARG 224 N -1.55 2.56 0.26 -0.78 0.52 -1.26 -5.02 118.95 113.68 1oz0 s ARG 224 Ca 0.23 -1.01 -0.02 0.00 -0.52 0.00 0.00 55.73 54.40 1oz0 s ARG 224 Cb 0.12 -2.58 0.45 0.00 0.52 0.00 0.00 34.95 33.46 1oz0 s ARG 224 CO 0.15 -0.63 1.83 -1.35 0.02 0.00 0.00 175.30 175.33 1oz0 h PRO 225 N 0.23 0.89 -2.95 3.54 0.11 -1.98 -3.45 132.00 128.40 1oz0 h PRO 225 Ca -0.40 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 1oz0 h PRO 225 Cb 1.29 -0.20 -0.22 0.00 0.11 0.00 0.00 31.00 31.98 1oz0 h PRO 225 CO 0.48 0.59 -0.28 -1.59 -0.21 0.00 0.00 178.00 176.99 1oz0 s LYS 226 N -6.01 0.56 0.22 1.05 -2.85 -1.26 -4.27 119.74 107.18 1oz0 s LYS 226 Ca -0.12 0.12 -0.30 0.00 -1.00 0.00 0.00 55.97 54.66 1oz0 s LYS 226 Cb 0.20 0.26 -0.10 0.00 -2.06 0.00 0.00 37.83 36.14 1oz0 s LYS 226 CO 0.80 -0.13 1.42 -0.51 0.10 0.00 0.00 175.35 177.02 1oz0 s LEU 227 N -0.65 4.39 0.07 2.77 1.43 0.18 -4.89 118.68 121.99 1oz0 s LEU 227 Ca -0.07 2.58 0.20 0.00 -1.03 0.00 0.00 54.13 55.80 1oz0 s LEU 227 Cb -0.04 -3.62 0.83 0.00 0.03 0.00 0.00 46.19 43.39 1oz0 s LEU 227 CO 0.03 -0.67 1.63 -0.81 0.23 0.00 0.00 176.35 176.76 1oz0 n PRO 228 N 2.63 0.06 -4.58 1.29 -0.04 -1.26 -4.63 135.00 128.48 1oz0 n PRO 228 Ca 0.07 0.24 -0.34 0.00 -0.04 0.00 0.00 63.50 63.44 1oz0 n PRO 228 Cb 0.41 -1.61 -0.12 0.00 -0.04 0.00 0.00 33.50 32.14 1oz0 n PRO 228 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1oz0 s LEU 229 N -3.45 3.11 0.04 1.53 0.20 -1.26 -0.38 118.68 118.47 1oz0 s LEU 229 Ca 0.08 -0.11 0.04 0.00 0.69 0.00 0.00 54.13 54.83 1oz0 s LEU 229 Cb 0.11 -1.71 -0.02 0.00 -0.43 0.00 0.00 46.19 44.15 1oz0 s LEU 229 CO 0.37 0.26 -0.12 0.42 -0.29 0.00 0.00 176.35 176.99 1oz0 s THR 230 N -0.21 0.91 -0.26 3.68 -4.23 0.44 -4.96 115.64 111.02 1oz0 s THR 230 Ca 0.03 -0.95 -0.22 0.00 -1.18 0.00 0.00 61.69 59.36 1oz0 s THR 230 Cb -0.13 -0.85 -0.01 0.00 1.34 0.00 0.00 72.50 72.85 1oz0 s THR 230 CO 0.03 -0.09 0.71 -0.69 -0.54 0.00 0.00 174.62 174.04 1oz0 s VAL 231 N -0.92 4.92 -0.13 2.29 1.01 -1.26 -0.36 120.40 125.95 1oz0 s VAL 231 Ca -0.01 1.26 0.16 0.00 0.00 0.00 0.00 61.98 63.39 1oz0 s VAL 231 Cb -0.08 -4.01 -0.24 0.00 0.00 0.00 0.00 36.38 32.05 1oz0 s VAL 231 CO 0.01 -0.04 0.38 0.52 0.00 0.00 0.00 175.10 175.97 1oz0 n VAL 232 N 5.25 1.35 -3.64 2.92 0.31 0.17 -4.96 118.33 119.73 1oz0 n VAL 232 Ca 0.02 -0.80 -0.13 0.00 -0.01 0.00 0.00 64.34 63.42 1oz0 n VAL 232 Cb 0.48 -0.65 -0.06 0.00 -0.91 0.00 0.00 33.84 32.70 1oz0 n VAL 232 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1oz0 s ASN 233 N -5.66 -0.33 0.80 4.52 2.47 -0.88 -4.94 114.94 110.93 1oz0 s ASN 233 Ca -0.07 0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.27 1oz0 s ASN 233 Cb 0.07 0.44 0.00 0.00 -1.45 0.00 0.00 41.25 40.32 1oz0 s ASN 233 CO 0.83 -0.67 0.00 0.61 -3.72 0.00 0.00 177.10 174.15 1oz0 n GLY 234 N 0.51 0.32 2.83 1.21 0.00 -1.22 -1.44 105.19 107.40 1oz0 n GLY 234 Ca -0.19 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.73 1oz0 n GLY 234 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1oz0 s SER 235 N -4.00 1.01 0.72 1.61 0.15 -1.26 -4.89 113.70 107.04 1oz0 s SER 235 Ca 0.00 0.03 -0.14 0.00 0.70 0.00 0.00 55.95 56.54 1oz0 s SER 235 Cb 0.00 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.86 1oz0 s SER 235 CO 0.00 -0.30 1.15 -2.16 1.20 0.00 0.00 173.24 173.13 1oz0 s PRO 236 N 2.37 2.33 0.00 5.44 0.04 -1.26 -4.88 135.00 139.03 1oz0 s PRO 236 Ca 0.06 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1oz0 s PRO 236 Cb -0.15 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1oz0 s PRO 236 CO -0.11 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 175.69 1oz0 n GLY 237 N -0.12 2.94 0.31 0.56 0.00 -1.26 -3.57 105.19 104.05 1oz0 n GLY 237 Ca 0.12 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.85 1oz0 n GLY 237 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1oz0 h PHE 238 N 0.44 -0.70 -0.77 1.61 3.57 -1.66 -3.12 116.94 116.31 1oz0 h PHE 238 Ca -0.00 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.59 1oz0 h PHE 238 Cb 0.00 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 1oz0 h PHE 238 CO 0.00 -0.44 0.51 0.82 -2.23 0.00 0.00 178.31 176.97 1oz0 h ILE 239 N -0.92 0.90 -0.75 1.41 2.04 -1.87 -1.26 117.51 117.07 1oz0 h ILE 239 Ca -0.08 -0.21 0.16 0.00 1.00 0.00 0.00 64.86 65.72 1oz0 h ILE 239 Cb 0.58 0.22 -0.10 0.00 -0.74 0.00 0.00 36.82 36.77 1oz0 h ILE 239 CO 0.13 0.11 0.23 0.78 0.00 0.00 0.00 178.15 179.40 1oz0 h ASN 240 N 0.63 0.12 0.30 1.72 -0.26 -1.94 0.25 115.58 116.39 1oz0 h ASN 240 Ca 0.36 0.13 -0.24 0.00 -0.56 0.00 0.00 56.30 56.00 1oz0 h ASN 240 Cb 0.56 0.16 0.01 0.00 -1.06 0.00 0.00 38.32 37.98 1oz0 h ASN 240 CO -0.14 0.01 -1.01 -0.07 -1.06 0.00 0.00 177.43 175.17 1oz0 h LEU 241 N 0.33 0.60 -0.75 1.61 3.38 -1.18 0.16 115.31 119.46 1oz0 h LEU 241 Ca 0.42 -0.50 0.10 0.00 0.09 0.00 0.00 57.88 57.99 1oz0 h LEU 241 Cb 0.70 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 1oz0 h LEU 241 CO -0.47 1.31 0.38 0.00 0.09 0.00 0.00 178.44 179.75 1oz0 h ASP 243 N 0.63 0.18 -0.25 0.00 3.32 -0.99 -2.98 116.42 116.33 1oz0 h ASP 243 Ca 0.38 -0.57 0.05 0.00 0.02 0.00 0.00 57.03 56.90 1oz0 h ASP 243 Cb 0.42 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 1oz0 h ASP 243 CO -0.28 0.72 -0.06 0.00 -1.72 0.00 0.00 179.24 177.90 1oz0 h ALA 244 N 0.46 0.17 0.00 3.45 0.00 -0.09 0.42 119.26 123.68 1oz0 h ALA 244 Ca 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1oz0 h ALA 244 Cb 0.69 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1oz0 h ALA 244 CO 0.02 -0.47 -0.46 -0.07 0.00 0.00 0.00 179.25 178.28 1oz0 h LEU 245 N 0.01 0.00 0.15 0.00 3.38 -0.39 -0.64 115.31 117.83 1oz0 h LEU 245 Ca 0.12 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.83 1oz0 h LEU 245 Cb 0.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1oz0 h LEU 245 CO -0.25 0.46 -1.24 0.78 0.09 0.00 0.00 178.44 178.27 1oz0 h ASN 246 N 0.00 0.51 -0.44 -0.43 2.35 -1.32 -3.16 115.58 113.09 1oz0 h ASN 246 Ca -0.00 -0.91 -0.00 0.00 -0.55 0.00 0.00 56.30 54.84 1oz0 h ASN 246 Cb 0.87 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 1oz0 h ASN 246 CO 0.06 1.57 0.28 0.00 -1.65 0.00 0.00 177.43 177.69 1oz0 h ALA 247 N 0.04 1.64 -0.30 -0.83 0.00 -0.13 -2.41 119.26 117.27 1oz0 h ALA 247 Ca -0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1oz0 h ALA 247 Cb 1.82 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1oz0 h ALA 247 CO 0.14 0.32 0.04 2.35 0.00 0.00 0.00 179.25 182.10 1oz0 h TRP 248 N 0.62 0.55 -0.66 0.00 2.91 -1.20 -2.28 115.95 115.90 1oz0 h TRP 248 Ca 0.16 -0.08 -0.01 0.00 1.13 0.00 0.00 58.89 60.09 1oz0 h TRP 248 Cb -0.04 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.43 1oz0 h TRP 248 CO 0.00 0.61 0.35 1.96 -1.03 0.00 0.00 178.44 180.33 1oz0 h GLN 249 N 0.33 0.91 0.80 2.65 4.20 -1.42 0.15 115.11 122.73 1oz0 h GLN 249 Ca 0.09 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1oz0 h GLN 249 Cb 0.37 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 27.97 1oz0 h GLN 249 CO 0.01 0.68 -0.39 1.25 -0.67 0.00 0.00 178.83 179.71 1oz0 h LEU 250 N 0.91 -0.91 -0.51 1.46 6.46 -1.33 -0.11 115.31 121.28 1oz0 h LEU 250 Ca 0.23 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 58.08 1oz0 h LEU 250 Cb 0.04 0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 40.15 1oz0 h LEU 250 CO -0.04 -0.60 0.22 -0.37 -0.62 0.00 0.00 178.44 177.03 1oz0 h VAL 251 N -1.18 0.88 -0.24 1.05 -1.51 -1.26 0.24 116.25 114.23 1oz0 h VAL 251 Ca -0.11 -0.14 0.02 0.00 -1.23 0.00 0.00 66.70 65.23 1oz0 h VAL 251 Cb 0.83 0.42 -0.02 0.00 -2.13 0.00 0.00 31.29 30.38 1oz0 h VAL 251 CO 0.18 0.08 0.11 0.50 -1.23 0.00 0.00 177.57 177.21 1oz0 h LYS 252 N 0.42 0.23 -0.19 5.19 3.64 -0.68 -1.20 116.57 123.99 1oz0 h LYS 252 Ca 0.24 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1oz0 h LYS 252 Cb 0.22 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1oz0 h LYS 252 CO -0.21 0.15 -0.25 0.93 -2.27 0.00 0.00 179.45 177.80 1oz0 h GLU 253 N 0.24 0.35 -0.45 1.90 5.08 -0.48 -1.47 114.58 119.74 1oz0 h GLU 253 Ca 0.10 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1oz0 h GLU 253 Cb 0.04 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1oz0 h GLU 253 CO -0.08 0.58 0.25 1.25 -1.00 0.00 0.00 179.01 180.01 1oz0 h LEU 254 N 0.31 0.56 -0.21 1.33 5.85 0.07 -1.46 115.31 121.77 1oz0 h LEU 254 Ca 0.05 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 1oz0 h LEU 254 Cb 0.61 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1oz0 h LEU 254 CO 0.04 0.49 -0.33 0.50 -0.34 0.00 0.00 178.44 178.80 1oz0 h LYS 255 N 0.60 0.60 0.00 1.25 3.64 -1.03 -1.65 116.57 119.98 1oz0 h LYS 255 Ca 0.16 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1oz0 h LYS 255 Cb 0.04 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1oz0 h LYS 255 CO -0.03 0.97 -0.02 1.96 -2.27 0.00 0.00 179.45 180.07 1oz0 h GLN 256 N 0.29 0.00 0.18 1.90 4.20 -1.16 0.77 115.11 121.29 1oz0 h GLN 256 Ca 0.02 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.42 1oz0 h GLN 256 Cb 0.92 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.71 1oz0 h GLN 256 CO 0.08 0.02 -1.52 0.00 -0.67 0.00 0.00 178.83 176.74 1oz0 h ALA 257 N 1.98 0.07 -0.01 3.87 0.00 -1.15 -3.40 119.26 120.63 1oz0 h ALA 257 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1oz0 h ALA 257 Cb 0.04 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1oz0 h ALA 257 CO 0.00 0.84 -0.26 1.28 0.00 0.00 0.00 179.25 181.11 1oz0 n LEU 258 N -3.76 1.14 -3.72 0.00 4.77 -0.63 -4.94 117.00 109.87 1oz0 n LEU 258 Ca -0.22 -0.72 -0.25 0.00 -0.03 0.00 0.00 56.01 54.78 1oz0 n LEU 258 Cb 1.01 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.15 1oz0 n LEU 258 CO 0.50 0.23 0.13 0.61 -1.33 0.00 0.00 177.39 177.53 1oz0 n GLY 259 N 0.97 -0.46 3.04 -0.72 0.00 0.27 -5.01 105.19 103.27 1oz0 n GLY 259 Ca 0.04 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 1oz0 n GLY 259 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oz0 s ILE 260 N -3.38 0.00 0.22 -0.61 1.01 -1.26 -5.08 121.20 112.12 1oz0 s ILE 260 Ca 0.45 -0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 1oz0 s ILE 260 Cb -0.21 -0.23 -0.15 0.00 0.01 0.00 0.00 42.46 41.87 1oz0 s ILE 260 CO 0.78 -0.02 1.00 -2.65 0.00 0.00 0.00 174.94 174.05 1oz0 n PRO 261 N 2.91 1.06 -4.27 2.79 -0.02 -1.26 -4.39 135.00 131.82 1oz0 n PRO 261 Ca -0.13 0.37 -0.22 0.00 -2.02 0.00 0.00 63.50 61.51 1oz0 n PRO 261 Cb 0.59 -1.74 -0.12 0.00 -0.02 0.00 0.00 33.50 32.20 1oz0 n PRO 261 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oz0 s ALA 262 N -0.68 1.70 0.21 3.55 0.00 -1.26 0.51 121.76 125.79 1oz0 s ALA 262 Ca 0.66 -1.27 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 1oz0 s ALA 262 Cb -0.81 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 1oz0 s ALA 262 CO 0.56 0.26 0.19 0.00 0.00 0.00 0.00 175.76 176.77 1oz0 s ALA 263 N -1.55 0.92 -0.10 0.00 0.00 -0.17 -0.62 121.76 120.23 1oz0 s ALA 263 Ca 0.08 -1.55 -0.28 0.00 0.00 0.00 0.00 51.96 50.21 1oz0 s ALA 263 Cb -0.08 1.33 0.07 0.00 0.00 0.00 0.00 23.12 24.43 1oz0 s ALA 263 CO 0.04 -0.64 0.65 0.00 0.00 0.00 0.00 175.76 175.82 1oz0 s ALA 264 N -4.13 -1.68 -0.31 0.00 0.00 -1.01 -1.72 121.76 112.91 1oz0 s ALA 264 Ca 0.36 1.40 0.01 0.00 0.00 0.00 0.00 51.96 53.72 1oz0 s ALA 264 Cb 0.06 -0.27 0.07 0.00 0.00 0.00 0.00 23.12 22.98 1oz0 s ALA 264 CO 0.11 -0.35 0.00 0.45 0.00 0.00 0.00 175.76 175.98 1oz0 s SER 265 N -0.81 4.78 -0.07 0.00 0.15 -0.34 -2.01 113.70 115.39 1oz0 s SER 265 Ca -0.08 -1.60 -0.08 0.00 0.70 0.00 0.00 55.95 54.89 1oz0 s SER 265 Cb -0.02 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.59 1oz0 s SER 265 CO 0.07 -0.30 0.21 -0.36 1.20 0.00 0.00 173.24 174.06 1oz0 s PHE 266 N 1.12 3.61 -0.07 3.44 0.40 0.78 0.14 117.98 127.39 1oz0 s PHE 266 Ca -0.01 0.59 -0.03 0.00 -0.60 0.00 0.00 56.93 56.87 1oz0 s PHE 266 Cb -0.20 -1.99 0.04 0.00 0.51 0.00 0.00 43.02 41.38 1oz0 s PHE 266 CO -0.04 0.70 0.15 0.21 0.70 0.00 0.00 175.22 176.93 1oz0 s LYS 267 N -1.26 0.05 -1.25 0.44 2.47 -0.28 -0.06 119.74 119.86 1oz0 s LYS 267 Ca 0.20 0.47 -0.05 0.00 -1.56 0.00 0.00 55.97 55.03 1oz0 s LYS 267 Cb -0.13 -0.24 -0.01 0.00 -1.46 0.00 0.00 37.83 35.99 1oz0 s LYS 267 CO 0.09 -0.25 0.73 0.72 0.16 0.00 0.00 175.35 176.80 1oz0 n HIS 268 N 4.84 -1.96 -3.03 4.03 8.25 -1.26 -2.46 115.22 123.64 1oz0 n HIS 268 Ca -0.14 0.76 -0.20 0.00 -0.26 0.00 0.00 57.72 57.88 1oz0 n HIS 268 Cb 0.51 -4.13 0.00 0.00 1.12 0.00 0.00 29.99 27.49 1oz0 n HIS 268 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1oz0 n VAL 269 N -4.14 -1.06 -3.78 1.59 0.31 -1.26 -4.93 118.33 105.05 1oz0 n VAL 269 Ca -0.23 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 63.97 1oz0 n VAL 269 Cb 0.65 -2.10 -0.09 0.00 -0.91 0.00 0.00 33.84 31.39 1oz0 n VAL 269 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1oz0 s SER 270 N -2.51 -0.15 0.03 4.52 0.01 -1.03 -4.16 113.70 110.40 1oz0 s SER 270 Ca 0.26 0.03 -0.30 0.00 1.31 0.00 0.00 55.95 57.26 1oz0 s SER 270 Cb -0.13 0.29 -0.05 0.00 0.21 0.00 0.00 66.02 66.34 1oz0 s SER 270 CO 0.33 -0.43 1.22 -2.16 0.41 0.00 0.00 173.24 172.60 1oz0 s PRO 271 N -1.32 4.40 0.12 12.44 0.04 -1.26 -1.13 135.00 148.28 1oz0 s PRO 271 Ca -0.14 1.76 0.14 0.00 0.04 0.00 0.00 61.00 62.80 1oz0 s PRO 271 Cb -0.06 -3.42 -0.11 0.00 0.04 0.00 0.00 34.50 30.95 1oz0 s PRO 271 CO 0.04 -0.34 1.06 0.00 0.04 0.00 0.00 177.00 177.80 1oz0 h ALA 272 N 7.07 0.62 -2.48 8.56 0.00 0.89 -3.47 119.26 130.45 1oz0 h ALA 272 Ca -0.39 -0.85 0.11 0.00 0.00 0.00 0.00 54.91 53.78 1oz0 h ALA 272 Cb 1.20 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 1oz0 h ALA 272 CO 0.84 1.00 0.42 0.20 0.00 0.00 0.00 179.25 181.71 1oz0 s GLY 273 N -4.73 -0.36 -0.17 0.00 0.00 -1.13 -4.30 107.32 96.63 1oz0 s GLY 273 Ca -0.00 0.47 -0.29 0.00 0.00 0.00 0.00 44.72 44.90 1oz0 s GLY 273 CO 0.80 0.14 0.98 0.00 0.00 0.00 0.00 173.10 175.02 1oz0 s ALA 274 N -3.36 -1.93 -0.00 3.20 0.00 -1.26 -1.20 121.76 117.22 1oz0 s ALA 274 Ca 0.08 1.62 -0.29 0.00 0.00 0.00 0.00 51.96 53.36 1oz0 s ALA 274 Cb -0.02 -0.78 0.10 0.00 0.00 0.00 0.00 23.12 22.43 1oz0 s ALA 274 CO -0.04 -0.30 1.07 0.00 0.00 0.00 0.00 175.76 176.50 1oz0 s ALA 275 N -0.89 -1.93 0.17 0.00 0.00 -0.70 -1.16 121.76 117.24 1oz0 s ALA 275 Ca -0.02 0.80 0.05 0.00 0.00 0.00 0.00 51.96 52.80 1oz0 s ALA 275 Cb -0.01 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 1oz0 s ALA 275 CO 0.01 -0.86 0.12 0.14 0.00 0.00 0.00 175.76 175.17 1oz0 s VAL 276 N -2.85 4.40 0.00 0.00 -7.23 -0.89 -1.00 120.40 112.83 1oz0 s VAL 276 Ca 0.10 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1oz0 s VAL 276 Cb 0.00 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.70 1oz0 s VAL 276 CO -0.04 -0.11 0.52 0.61 -0.31 0.00 0.00 175.10 175.77 1oz0 n GLY 277 N -0.34 1.02 3.67 2.32 0.00 0.18 -4.51 105.19 107.53 1oz0 n GLY 277 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1oz0 n GLY 277 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oz0 s ILE 278 N 3.05 4.04 0.44 -0.61 -1.09 -1.26 -4.74 121.20 121.03 1oz0 s ILE 278 Ca 0.00 1.33 -0.24 0.00 -2.23 0.00 0.00 60.65 59.51 1oz0 s ILE 278 Cb 0.00 -3.86 -0.10 0.00 -1.58 0.00 0.00 42.46 36.93 1oz0 s ILE 278 CO 0.00 -0.06 1.10 -0.81 -1.23 0.00 0.00 174.94 173.94 1oz0 n PRO 279 N 6.04 1.50 -3.94 2.79 -0.04 -1.26 -4.82 135.00 135.27 1oz0 n PRO 279 Ca 0.13 0.54 -0.26 0.00 -0.04 0.00 0.00 63.50 63.87 1oz0 n PRO 279 Cb 0.45 -2.18 -0.03 0.00 -0.04 0.00 0.00 33.50 31.70 1oz0 n PRO 279 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1oz0 s LEU 280 N -1.13 4.34 0.51 1.53 1.02 -1.26 -5.12 118.68 118.57 1oz0 s LEU 280 Ca 0.64 0.18 -0.02 0.00 0.02 0.00 0.00 54.13 54.94 1oz0 s LEU 280 Cb -0.52 -2.92 0.00 0.00 0.02 0.00 0.00 46.19 42.77 1oz0 s LEU 280 CO 0.56 0.05 0.77 -0.94 0.02 0.00 0.00 176.35 176.81 1oz0 s SER 281 N -3.23 5.71 0.37 2.29 1.04 -1.26 -4.83 113.70 113.79 1oz0 s SER 281 Ca 0.35 0.45 0.08 0.00 0.48 0.00 0.00 55.95 57.31 1oz0 s SER 281 Cb -0.11 -1.58 0.82 0.00 0.10 0.00 0.00 66.02 65.25 1oz0 s SER 281 CO 0.29 -0.87 1.92 -0.33 0.98 0.00 0.00 173.24 175.22 1oz0 h GLU 282 N 0.15 0.66 -0.30 4.02 3.07 -1.99 0.28 114.58 120.48 1oz0 h GLU 282 Ca -0.46 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.29 1oz0 h GLU 282 Cb 1.26 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 1oz0 h GLU 282 CO 0.58 0.44 -0.11 0.93 -1.40 0.00 0.00 179.01 179.45 1oz0 h GLU 283 N 0.68 0.61 -0.50 2.33 5.08 -1.99 0.16 114.58 120.95 1oz0 h GLU 283 Ca 0.37 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1oz0 h GLU 283 Cb 0.52 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1oz0 h GLU 283 CO -0.14 0.82 0.19 1.49 -1.00 0.00 0.00 179.01 180.37 1oz0 h GLU 284 N 0.36 0.75 -0.73 2.33 4.57 -1.61 0.54 114.58 120.80 1oz0 h GLU 284 Ca 0.07 -0.14 0.08 0.00 -1.18 0.00 0.00 59.36 58.19 1oz0 h GLU 284 Cb 0.62 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 29.05 1oz0 h GLU 284 CO 0.04 0.67 0.48 0.00 -1.18 0.00 0.00 179.01 179.02 1oz0 h ALA 285 N 1.04 1.77 -0.15 2.92 0.00 -0.26 0.44 119.26 125.03 1oz0 h ALA 285 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1oz0 h ALA 285 Cb 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1oz0 h ALA 285 CO -0.01 0.09 -0.03 0.37 0.00 0.00 0.00 179.25 179.67 1oz0 h GLN 286 N 0.69 0.29 -0.79 0.00 4.15 0.59 0.50 115.11 120.53 1oz0 h GLN 286 Ca 0.32 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.65 1oz0 h GLN 286 Cb 0.37 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 1oz0 h GLN 286 CO -0.11 0.56 0.52 0.28 -1.93 0.00 0.00 178.83 178.14 1oz0 h VAL 287 N 0.00 1.18 -0.00 2.39 2.07 0.80 0.86 116.25 123.54 1oz0 h VAL 287 Ca 0.04 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1oz0 h VAL 287 Cb 0.44 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1oz0 h VAL 287 CO 0.01 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1oz0 n MET 289 N -0.74 -5.39 -1.14 0.00 0.00 0.29 -4.86 117.12 105.28 1oz0 n MET 289 Ca 0.12 0.67 0.02 0.00 0.00 0.00 0.00 57.70 58.51 1oz0 n MET 289 Cb 0.06 -5.36 0.01 0.00 0.00 0.00 0.00 33.22 27.93 1oz0 n MET 289 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 1oz0 n VAL 290 N -4.30 0.00 -0.35 2.03 0.24 0.16 -4.91 118.33 111.20 1oz0 n VAL 290 Ca -0.26 -0.62 -0.03 0.00 -2.04 0.00 0.00 64.34 61.38 1oz0 n VAL 290 Cb 0.66 0.80 0.10 0.00 -1.47 0.00 0.00 33.84 33.93 1oz0 n VAL 290 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1oz0 h HIS 291 N 0.62 1.25 0.00 6.34 6.17 -1.79 -1.79 115.15 125.95 1oz0 h HIS 291 Ca -0.16 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.92 1oz0 h HIS 291 Cb 1.70 -0.41 0.00 0.00 2.52 0.00 0.00 27.41 31.23 1oz0 h HIS 291 CO 0.13 0.82 0.00 -0.40 0.71 0.00 0.00 177.93 179.20 1oz0 n ASP 292 N -4.36 0.00 -0.30 3.26 5.75 -1.26 -2.14 116.55 117.50 1oz0 n ASP 292 Ca 0.11 0.48 0.03 0.00 -0.01 0.00 0.00 54.79 55.40 1oz0 n ASP 292 Cb 0.06 -0.49 0.05 0.00 -1.03 0.00 0.00 41.12 39.71 1oz0 n ASP 292 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1oz0 n LEU 293 N -1.49 1.96 -0.30 -2.12 4.77 -0.74 -4.83 117.00 114.26 1oz0 n LEU 293 Ca 0.03 -1.45 -0.05 0.00 -0.03 0.00 0.00 56.01 54.52 1oz0 n LEU 293 Cb 0.16 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1oz0 n LEU 293 CO 0.13 0.46 0.58 -0.74 -1.33 0.00 0.00 177.39 176.48 1oz0 h HIS 294 N 1.18 -1.20 0.00 -1.77 2.76 -0.86 -0.89 115.15 114.38 1oz0 h HIS 294 Ca 0.00 0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1oz0 h HIS 294 Cb 0.42 0.64 0.00 0.00 1.55 0.00 0.00 27.41 30.02 1oz0 h HIS 294 CO 0.06 -0.40 0.00 0.87 -1.30 0.00 0.00 177.93 177.16 1oz0 h LYS 295 N -0.10 0.00 0.00 5.26 1.57 -1.88 -2.74 116.57 118.68 1oz0 h LYS 295 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1oz0 h LYS 295 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1oz0 h LYS 295 CO -0.83 0.00 -0.96 0.25 -0.57 0.00 0.00 179.45 177.34 1oz0 n THR 296 N -2.57 0.04 -1.69 -0.16 -2.24 -0.36 -4.97 114.28 102.33 1oz0 n THR 296 Ca -0.00 -0.09 -0.44 0.00 -2.27 0.00 0.00 64.05 61.25 1oz0 n THR 296 Cb 0.15 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 1oz0 n THR 296 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1oz0 n LEU 297 N -1.66 3.74 -4.96 3.22 4.77 -1.04 -4.80 117.00 116.28 1oz0 n LEU 297 Ca 0.03 1.02 -0.22 0.00 -0.03 0.00 0.00 56.01 56.81 1oz0 n LEU 297 Cb 0.37 -1.50 -0.00 0.00 -2.33 0.00 0.00 43.42 39.96 1oz0 n LEU 297 CO 0.41 0.04 0.17 0.42 -1.33 0.00 0.00 177.39 177.10 1oz0 s THR 298 N 2.20 4.50 0.34 -5.08 -4.23 -1.26 -4.87 115.64 107.24 1oz0 s THR 298 Ca 0.81 -0.63 0.10 0.00 -1.18 0.00 0.00 61.69 60.79 1oz0 s THR 298 Cb -0.56 -3.63 0.33 0.00 1.34 0.00 0.00 72.50 69.98 1oz0 s THR 298 CO 0.38 -0.37 1.80 -0.65 -0.54 0.00 0.00 174.62 175.24 1oz0 h PRO 299 N 0.69 0.62 -0.19 3.99 0.11 -1.95 0.62 132.00 135.89 1oz0 h PRO 299 Ca -0.48 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1oz0 h PRO 299 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1oz0 h PRO 299 CO 0.58 0.41 -0.01 1.25 -0.21 0.00 0.00 178.00 180.02 1oz0 h LEU 300 N 0.64 0.34 -1.42 2.35 5.85 -1.89 -1.46 115.31 119.72 1oz0 h LEU 300 Ca 0.55 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1oz0 h LEU 300 Cb 1.02 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1oz0 h LEU 300 CO -0.31 0.58 0.37 0.00 -0.34 0.00 0.00 178.44 178.74 1oz0 h ALA 301 N 0.77 1.58 -0.58 1.25 0.00 -1.49 -1.30 119.26 119.49 1oz0 h ALA 301 Ca 0.05 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1oz0 h ALA 301 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1oz0 h ALA 301 CO 0.01 0.39 -0.02 0.77 0.00 0.00 0.00 179.25 180.40 1oz0 h SER 302 N 0.77 1.01 -0.23 0.00 0.02 -0.72 -1.97 113.55 112.44 1oz0 h SER 302 Ca 0.21 -0.31 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1oz0 h SER 302 Cb -0.07 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.16 1oz0 h SER 302 CO -0.04 1.08 0.04 0.00 -1.14 0.00 0.00 176.83 176.77 1oz0 h ALA 303 N 0.97 0.23 -0.50 3.77 0.00 -0.15 -0.46 119.26 123.12 1oz0 h ALA 303 Ca 0.16 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1oz0 h ALA 303 Cb 0.57 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1oz0 h ALA 303 CO 0.03 -0.38 -0.16 -0.92 0.00 0.00 0.00 179.25 177.83 1oz0 h TYR 304 N 0.13 1.10 -1.00 0.00 3.20 -1.32 -0.66 116.97 118.42 1oz0 h TYR 304 Ca 0.10 -0.24 0.08 0.00 3.14 0.00 0.00 58.73 61.81 1oz0 h TYR 304 Cb 0.10 -0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.03 1oz0 h TYR 304 CO -0.15 1.05 0.64 0.00 -1.64 0.00 0.00 178.16 178.06 1oz0 h ALA 305 N 0.95 1.42 -0.12 1.82 0.00 -0.91 0.19 119.26 122.61 1oz0 h ALA 305 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1oz0 h ALA 305 Cb 0.72 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1oz0 h ALA 305 CO 0.06 0.37 -0.19 0.00 0.00 0.00 0.00 179.25 179.48 1oz0 h ARG 306 N 1.11 0.34 -0.74 0.00 3.08 -0.82 -1.36 114.38 116.00 1oz0 h ARG 306 Ca 0.45 -0.21 0.09 0.00 0.07 0.00 0.00 59.98 60.39 1oz0 h ARG 306 Cb 0.27 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.27 1oz0 h ARG 306 CO -0.20 0.79 0.39 0.77 -1.07 0.00 0.00 179.97 180.64 1oz0 h SER 307 N -0.08 0.52 1.18 7.04 0.02 -0.16 0.19 113.55 122.27 1oz0 h SER 307 Ca 0.01 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1oz0 h SER 307 Cb 0.76 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1oz0 h SER 307 CO 0.04 0.30 0.00 -1.14 -1.14 0.00 0.00 176.83 174.90 1oz0 n ARG 308 N -4.83 0.13 0.20 3.45 0.63 0.56 -3.52 116.66 113.29 1oz0 n ARG 308 Ca 0.11 0.14 0.11 0.00 -0.92 0.00 0.00 57.85 57.29 1oz0 n ARG 308 Cb 0.27 -1.66 0.14 0.00 0.45 0.00 0.00 32.46 31.65 1oz0 n ARG 308 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1oz0 h GLY 309 N 4.50 0.00 0.24 5.14 0.00 0.57 -3.36 103.07 110.16 1oz0 h GLY 309 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1oz0 h GLY 309 CO 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 176.54 176.26 1oz0 h ALA 310 N 1.98 -0.94 -3.00 3.60 0.00 -1.55 -3.41 119.26 115.94 1oz0 h ALA 310 Ca -0.00 -0.10 -0.55 0.00 0.00 0.00 0.00 54.91 54.27 1oz0 h ALA 310 Cb 1.02 0.55 -0.40 0.00 0.00 0.00 0.00 17.79 18.96 1oz0 h ALA 310 CO 0.00 -0.97 -0.77 0.34 0.00 0.00 0.00 179.25 177.86 1oz0 s ASP 311 N -3.43 3.62 0.31 0.00 -1.08 -1.26 -4.69 116.67 110.14 1oz0 s ASP 311 Ca -0.10 -1.35 0.04 0.00 -0.52 0.00 0.00 52.55 50.62 1oz0 s ASP 311 Cb 0.02 -0.58 0.64 0.00 -1.46 0.00 0.00 42.92 41.54 1oz0 s ASP 311 CO 0.33 -0.41 1.87 0.03 0.52 0.00 0.00 175.17 177.51 1oz0 h ARG 312 N 8.26 0.88 -0.52 4.34 2.47 -1.80 -2.07 114.38 125.94 1oz0 h ARG 312 Ca -0.17 -0.05 -0.12 0.00 -1.26 0.00 0.00 59.98 58.38 1oz0 h ARG 312 Cb 1.03 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 29.14 1oz0 h ARG 312 CO 0.43 0.58 -0.16 1.98 0.56 0.00 0.00 179.97 183.37 1oz0 h MET 313 N 0.90 1.03 0.00 0.04 4.05 -1.95 -2.55 114.93 116.45 1oz0 h MET 313 Ca 0.45 -0.41 -0.10 0.00 -0.28 0.00 0.00 59.70 59.36 1oz0 h MET 313 Cb 0.47 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 1oz0 h MET 313 CO -0.21 1.10 -0.49 0.77 0.23 0.00 0.00 176.91 178.31 1oz0 h SER 314 N 0.90 0.00 1.63 1.39 0.02 -1.80 -2.95 113.55 112.75 1oz0 h SER 314 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1oz0 h SER 314 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1oz0 h SER 314 CO 0.06 0.49 -0.15 0.28 -1.14 0.00 0.00 176.83 176.36 1oz0 h SER 315 N 0.00 0.00 -1.77 3.07 0.02 -1.31 -3.42 113.55 110.14 1oz0 h SER 315 Ca -0.00 -0.02 -0.54 0.00 -0.84 0.00 0.00 61.79 60.38 1oz0 h SER 315 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1oz0 h SER 315 CO 0.06 0.01 1.55 0.33 -1.14 0.00 0.00 176.83 177.64 1oz0 n PHE 316 N -2.70 1.72 -0.64 3.45 -0.00 -0.97 0.19 117.46 118.51 1oz0 n PHE 316 Ca 0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 1oz0 n PHE 316 Cb 0.49 -2.68 0.00 0.00 -0.00 0.00 0.00 39.48 37.29 1oz0 n PHE 316 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1oz0 n GLY 317 N 5.92 0.76 3.73 7.13 0.00 0.19 -4.99 105.19 117.93 1oz0 n GLY 317 Ca 0.34 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1oz0 n GLY 317 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1oz0 s ASP 318 N -2.53 3.38 -0.11 1.61 -4.77 0.13 -4.06 116.67 110.32 1oz0 s ASP 318 Ca 0.00 1.31 0.00 0.00 -3.30 0.00 0.00 52.55 50.56 1oz0 s ASP 318 Cb 0.00 -1.98 -0.02 0.00 -1.09 0.00 0.00 42.92 39.83 1oz0 s ASP 318 CO 0.00 -2.67 -0.12 0.12 0.70 0.00 0.00 175.17 173.20 1oz0 s PHE 319 N -3.02 2.82 -0.11 2.11 2.19 0.91 -0.38 117.98 122.50 1oz0 s PHE 319 Ca 0.64 -0.48 -0.09 0.00 0.33 0.00 0.00 56.93 57.33 1oz0 s PHE 319 Cb -0.17 -1.81 -0.04 0.00 -1.31 0.00 0.00 43.02 39.69 1oz0 s PHE 319 CO 0.56 -0.09 0.19 0.42 1.83 0.00 0.00 175.22 178.13 1oz0 s ILE 320 N 0.08 5.42 -0.06 3.12 1.01 0.22 -0.16 121.20 130.84 1oz0 s ILE 320 Ca -0.05 0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.98 1oz0 s ILE 320 Cb -0.14 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 1oz0 s ILE 320 CO 0.04 0.59 -0.23 0.00 0.00 0.00 0.00 174.94 175.34 1oz0 s ALA 321 N -0.89 2.25 -0.05 9.38 0.00 -0.85 0.14 121.76 131.74 1oz0 s ALA 321 Ca 0.16 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1oz0 s ALA 321 Cb -0.13 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.28 1oz0 s ALA 321 CO 0.05 0.44 -0.11 -0.51 0.00 0.00 0.00 175.76 175.63 1oz0 s LEU 322 N -0.25 1.68 0.40 0.00 1.43 0.06 -2.41 118.68 119.59 1oz0 s LEU 322 Ca -0.01 -0.24 0.26 0.00 -1.03 0.00 0.00 54.13 53.11 1oz0 s LEU 322 Cb -0.13 -0.70 0.76 0.00 0.03 0.00 0.00 46.19 46.14 1oz0 s LEU 322 CO 0.03 0.05 1.75 0.77 0.23 0.00 0.00 176.35 179.17 1oz0 h SER 323 N 6.71 0.00 -4.53 2.29 4.64 -1.18 -3.38 113.55 118.09 1oz0 h SER 323 Ca -0.33 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.60 1oz0 h SER 323 Cb 1.18 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.12 1oz0 h SER 323 CO 0.48 0.00 -0.58 -1.81 -0.87 0.00 0.00 176.83 174.05 1oz0 s ASP 324 N -5.55 1.46 -0.05 4.97 1.01 -1.26 -4.73 116.67 112.52 1oz0 s ASP 324 Ca 0.06 -1.49 -0.37 0.00 0.71 0.00 0.00 52.55 51.47 1oz0 s ASP 324 Cb 0.08 0.29 -0.15 0.00 1.01 0.00 0.00 42.92 44.15 1oz0 s ASP 324 CO 0.60 -0.82 1.63 -0.38 0.21 0.00 0.00 175.17 176.40 1oz0 n ILE 325 N -0.55 0.22 -1.98 0.77 -0.00 -1.26 -4.47 119.36 112.09 1oz0 n ILE 325 Ca 0.00 -0.04 -0.42 0.00 -0.00 0.00 0.00 62.75 62.29 1oz0 n ILE 325 Cb 0.65 -1.32 -0.03 0.00 -0.00 0.00 0.00 39.64 38.94 1oz0 n ILE 325 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1oz0 s ASP 327 N 1.35 5.16 0.13 0.00 1.47 -1.26 -2.23 116.67 121.29 1oz0 s ASP 327 Ca 0.70 -0.80 -0.14 0.00 1.18 0.00 0.00 52.55 53.49 1oz0 s ASP 327 Cb -0.42 0.05 -0.01 0.00 -0.34 0.00 0.00 42.92 42.21 1oz0 s ASP 327 CO 0.31 -1.14 1.58 0.58 0.68 0.00 0.00 175.17 177.18 1oz0 h VAL 328 N 0.41 1.26 -0.80 2.11 2.07 -1.95 -0.10 116.25 119.25 1oz0 h VAL 328 Ca -0.34 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.14 1oz0 h VAL 328 Cb 1.29 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 1oz0 h VAL 328 CO 0.45 0.36 0.52 1.55 0.02 0.00 0.00 177.57 180.47 1oz0 h PRO 329 N 0.62 1.06 -0.04 1.57 0.13 -1.97 0.28 132.00 133.65 1oz0 h PRO 329 Ca 0.12 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1oz0 h PRO 329 Cb 0.50 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 31.40 1oz0 h PRO 329 CO 0.02 0.70 0.01 1.15 -0.23 0.00 0.00 178.00 179.66 1oz0 h THR 330 N 1.08 1.18 -0.66 1.56 2.02 -1.88 -2.43 112.91 113.79 1oz0 h THR 330 Ca 0.29 -0.55 0.08 0.00 0.77 0.00 0.00 66.41 67.01 1oz0 h THR 330 Cb -0.12 1.47 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 1oz0 h THR 330 CO -0.06 0.15 0.32 0.00 0.37 0.00 0.00 175.52 176.30 1oz0 h ALA 331 N 0.80 0.89 -0.96 6.16 0.00 -0.65 -1.66 119.26 123.84 1oz0 h ALA 331 Ca 0.01 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1oz0 h ALA 331 Cb 0.23 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1oz0 h ALA 331 CO -0.00 -0.07 0.64 0.87 0.00 0.00 0.00 179.25 180.68 1oz0 h LYS 332 N 0.56 1.24 0.43 0.00 1.57 -0.27 0.51 116.57 120.61 1oz0 h LYS 332 Ca 0.32 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1oz0 h LYS 332 Cb 0.32 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1oz0 h LYS 332 CO -0.25 0.82 -0.24 0.82 -0.57 0.00 0.00 179.45 180.02 1oz0 h ILE 333 N 1.28 0.50 -0.69 1.86 2.04 -0.83 -2.91 117.51 118.76 1oz0 h ILE 333 Ca 0.36 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.28 1oz0 h ILE 333 Cb -0.11 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.42 1oz0 h ILE 333 CO -0.09 0.00 0.40 0.40 0.00 0.00 0.00 178.15 178.86 1oz0 h ILE 334 N -0.63 0.99 -1.03 -0.67 2.04 -1.09 -2.71 117.51 114.40 1oz0 h ILE 334 Ca -0.05 -0.25 0.26 0.00 1.00 0.00 0.00 64.86 65.82 1oz0 h ILE 334 Cb 0.51 0.19 -0.10 0.00 -0.74 0.00 0.00 36.82 36.68 1oz0 h ILE 334 CO 0.07 0.13 0.65 -1.28 0.00 0.00 0.00 178.15 177.72 1oz0 h SER 335 N 0.73 0.50 -0.44 1.72 0.87 -0.70 -0.02 113.55 116.21 1oz0 h SER 335 Ca 0.31 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1oz0 h SER 335 Cb 0.17 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1oz0 h SER 335 CO -0.18 0.09 0.00 -2.11 -0.53 0.00 0.00 176.83 174.11 1oz0 n ARG 336 N -4.68 2.37 -4.23 2.24 1.85 -1.03 -4.91 116.66 108.27 1oz0 n ARG 336 Ca 0.26 -2.09 -0.23 0.00 -1.00 0.00 0.00 57.85 54.78 1oz0 n ARG 336 Cb 0.85 -1.49 -0.07 0.00 -1.05 0.00 0.00 32.46 30.71 1oz0 n ARG 336 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1oz0 s GLU 337 N -1.42 2.49 -0.55 2.89 0.41 -0.02 -4.98 118.70 117.51 1oz0 s GLU 337 Ca 0.39 -1.25 -0.22 0.00 -0.41 0.00 0.00 54.97 53.48 1oz0 s GLU 337 Cb 0.22 -2.31 0.05 0.00 -1.78 0.00 0.00 34.13 30.31 1oz0 s GLU 337 CO 0.30 0.40 0.81 0.08 -0.49 0.00 0.00 175.26 176.35 1oz0 s VAL 338 N -2.14 4.59 0.19 2.63 1.01 -1.26 -4.95 120.40 120.47 1oz0 s VAL 338 Ca 0.31 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1oz0 s VAL 338 Cb -0.07 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 1oz0 s VAL 338 CO 0.21 -1.04 -0.05 -0.55 0.00 0.00 0.00 175.10 173.67 1oz0 s SER 339 N 2.93 1.80 -0.02 3.32 0.15 -1.26 0.56 113.70 121.18 1oz0 s SER 339 Ca 0.23 -1.13 0.17 0.00 0.70 0.00 0.00 55.95 55.91 1oz0 s SER 339 Cb -0.16 0.00 -0.25 0.00 -1.71 0.00 0.00 66.02 63.90 1oz0 s SER 339 CO 0.15 -0.44 0.38 0.47 1.20 0.00 0.00 173.24 175.00 1oz0 n ASP 340 N -0.32 1.21 0.00 5.45 8.00 0.49 -4.83 116.55 126.55 1oz0 n ASP 340 Ca -0.07 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1oz0 n ASP 340 Cb 0.62 1.72 0.00 0.00 -0.02 0.00 0.00 41.12 43.44 1oz0 n ASP 340 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oz0 n GLY 341 N 1.56 0.45 3.22 0.44 0.00 -1.24 -3.35 105.19 106.27 1oz0 n GLY 341 Ca -0.03 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1oz0 n GLY 341 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oz0 s VAL 342 N -2.00 0.05 -0.04 1.61 0.11 -0.79 0.73 120.40 120.08 1oz0 s VAL 342 Ca 0.00 -0.45 0.04 0.00 -2.93 0.00 0.00 61.98 58.64 1oz0 s VAL 342 Cb 0.00 -0.58 -0.00 0.00 -1.53 0.00 0.00 36.38 34.27 1oz0 s VAL 342 CO 0.00 -0.25 -0.15 0.54 -3.33 0.00 0.00 175.10 171.91 1oz0 s VAL 343 N -1.20 1.29 0.17 2.04 0.11 0.12 -0.66 120.40 122.28 1oz0 s VAL 343 Ca -0.12 -0.64 -0.18 0.00 -2.93 0.00 0.00 61.98 58.11 1oz0 s VAL 343 Cb -0.05 -1.12 0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1oz0 s VAL 343 CO 0.04 0.38 0.49 0.00 -3.33 0.00 0.00 175.10 172.67 1oz0 s ALA 344 N 0.05 -1.01 -0.34 1.54 0.00 -0.85 -0.76 121.76 120.39 1oz0 s ALA 344 Ca -0.03 -0.08 0.27 0.00 0.00 0.00 0.00 51.96 52.12 1oz0 s ALA 344 Cb -0.11 0.80 1.05 0.00 0.00 0.00 0.00 23.12 24.87 1oz0 s ALA 344 CO 0.02 -0.74 1.79 -1.00 0.00 0.00 0.00 175.76 175.83 1oz0 h PRO 345 N 2.23 0.00 0.00 0.00 0.13 -1.74 -0.79 132.00 131.84 1oz0 h PRO 345 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1oz0 h PRO 345 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1oz0 h PRO 345 CO 0.41 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.59 1oz0 n GLY 346 N 0.18 0.36 2.88 1.56 0.00 -1.26 -4.61 105.19 104.31 1oz0 n GLY 346 Ca 0.02 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 1oz0 n GLY 346 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oz0 s TYR 347 N -2.00 0.05 0.38 1.61 1.51 -1.26 -0.65 117.35 117.00 1oz0 s TYR 347 Ca 0.00 -0.04 -0.25 0.00 -1.01 0.00 0.00 57.07 55.77 1oz0 s TYR 347 Cb 0.00 -0.04 -0.09 0.00 -0.11 0.00 0.00 41.96 41.73 1oz0 s TYR 347 CO 0.00 -0.01 1.08 -1.21 -1.11 0.00 0.00 175.55 174.30 1oz0 s GLU 348 N -0.11 4.21 0.51 -0.62 2.02 -0.95 -4.81 118.70 118.95 1oz0 s GLU 348 Ca -0.01 1.62 0.26 0.00 0.02 0.00 0.00 54.97 56.86 1oz0 s GLU 348 Cb -0.01 -2.67 1.35 0.00 0.10 0.00 0.00 34.13 32.91 1oz0 s GLU 348 CO -0.00 -0.12 1.92 1.49 0.02 0.00 0.00 175.26 178.56 1oz0 h GLU 349 N 2.72 0.10 0.02 1.61 4.81 -1.99 0.16 114.58 122.02 1oz0 h GLU 349 Ca -0.48 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 58.61 1oz0 h GLU 349 Cb 1.22 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.59 1oz0 h GLU 349 CO 0.63 0.07 -0.53 0.93 -0.73 0.00 0.00 179.01 179.38 1oz0 h GLU 350 N 0.10 0.32 -0.99 1.92 4.39 -1.96 -2.48 114.58 115.89 1oz0 h GLU 350 Ca 0.38 -0.37 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1oz0 h GLU 350 Cb 1.33 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 30.04 1oz0 h GLU 350 CO -0.04 1.08 0.64 0.00 -1.16 0.00 0.00 179.01 179.53 1oz0 h ALA 351 N 0.26 1.32 -0.02 3.43 0.00 -1.39 -1.28 119.26 121.59 1oz0 h ALA 351 Ca -0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1oz0 h ALA 351 Cb 1.28 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1oz0 h ALA 351 CO 0.10 0.52 -0.27 1.25 0.00 0.00 0.00 179.25 180.84 1oz0 h LEU 352 N 1.23 0.03 -0.48 0.00 5.85 -0.77 -0.66 115.31 120.51 1oz0 h LEU 352 Ca 0.40 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.95 1oz0 h LEU 352 Cb 0.04 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1oz0 h LEU 352 CO -0.13 0.30 -0.75 0.50 -0.34 0.00 0.00 178.44 178.02 1oz0 h LYS 353 N 0.03 0.13 0.00 1.25 3.64 -0.78 -1.71 116.57 119.13 1oz0 h LYS 353 Ca 0.00 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1oz0 h LYS 353 Cb 0.50 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1oz0 h LYS 353 CO 0.04 0.82 -0.00 0.82 -2.27 0.00 0.00 179.45 178.85 1oz0 h ILE 354 N 0.08 1.61 -0.38 2.00 2.04 -0.78 -3.32 117.51 118.77 1oz0 h ILE 354 Ca -0.02 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 64.00 1oz0 h ILE 354 Cb 1.32 2.86 -0.02 0.00 -0.74 0.00 0.00 36.82 40.25 1oz0 h ILE 354 CO 0.11 0.48 0.24 -0.07 0.00 0.00 0.00 178.15 178.91 1oz0 h LEU 355 N -0.79 0.44 0.00 1.44 3.38 -1.19 -2.58 115.31 116.00 1oz0 h LEU 355 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1oz0 h LEU 355 Cb 0.78 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1oz0 h LEU 355 CO 0.00 0.34 0.02 -1.20 0.09 0.00 0.00 178.44 177.68 1oz0 n SER 356 N -4.81 0.00 0.01 -0.43 7.64 -0.64 -1.28 113.62 114.10 1oz0 n SER 356 Ca 0.00 0.25 0.01 0.00 1.01 0.00 0.00 58.87 60.14 1oz0 n SER 356 Cb 0.03 -0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 62.89 1oz0 n SER 356 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1oz0 n LYS 357 N -1.23 0.64 -1.65 1.43 5.02 -0.97 -3.97 118.16 117.43 1oz0 n LYS 357 Ca 0.00 0.10 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 1oz0 n LYS 357 Cb 0.02 -1.71 -0.01 0.00 -0.02 0.00 0.00 35.03 33.30 1oz0 n LYS 357 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1oz0 n LYS 358 N -2.74 1.79 -3.44 1.97 5.02 -0.41 -2.10 118.16 118.26 1oz0 n LYS 358 Ca -0.12 0.63 -0.18 0.00 -2.02 0.00 0.00 58.31 56.62 1oz0 n LYS 358 Cb 0.82 -2.12 0.08 0.00 -0.02 0.00 0.00 35.03 33.79 1oz0 n LYS 358 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1oz0 n LYS 359 N 0.67 -5.31 -2.54 1.97 5.02 -1.26 -1.98 118.16 114.74 1oz0 n LYS 359 Ca 0.07 0.81 -0.10 0.00 -2.02 0.00 0.00 58.31 57.06 1oz0 n LYS 359 Cb 0.34 -5.71 -0.00 0.00 -0.02 0.00 0.00 35.03 29.64 1oz0 n LYS 359 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1oz0 n ASN 360 N -3.13 -3.19 0.00 4.39 4.13 -1.15 -0.99 115.26 115.32 1oz0 n ASN 360 Ca -0.24 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.23 1oz0 n ASN 360 Cb 0.66 -2.74 0.00 0.00 -1.54 0.00 0.00 39.78 36.16 1oz0 n ASN 360 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1oz0 n GLY 361 N -0.76 0.68 1.03 7.41 0.00 -0.89 -4.96 105.19 107.69 1oz0 n GLY 361 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1oz0 n GLY 361 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oz0 n GLY 362 N -2.05 1.28 3.67 -0.02 0.00 -0.16 -4.52 105.19 103.39 1oz0 n GLY 362 Ca 0.00 -0.70 -0.51 0.00 0.00 0.00 0.00 46.02 44.81 1oz0 n GLY 362 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1oz0 n TYR 363 N 1.37 2.09 -2.26 1.61 9.36 -0.84 -4.29 117.16 124.21 1oz0 n TYR 363 Ca 0.17 0.32 -0.43 0.00 3.32 0.00 0.00 57.90 61.27 1oz0 n TYR 363 Cb 0.59 -2.52 -0.02 0.00 -0.63 0.00 0.00 39.34 36.76 1oz0 n TYR 363 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1oz0 s VAL 365 N 3.87 1.15 0.21 0.00 1.01 -0.52 -1.88 120.40 124.23 1oz0 s VAL 365 Ca 0.62 -0.39 0.11 0.00 0.00 0.00 0.00 61.98 62.32 1oz0 s VAL 365 Cb -0.25 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1oz0 s VAL 365 CO 0.21 0.36 -0.20 -0.76 0.00 0.00 0.00 175.10 174.71 1oz0 s LEU 366 N 1.66 2.57 -0.11 3.92 1.43 0.17 0.43 118.68 128.75 1oz0 s LEU 366 Ca 0.05 -0.84 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 1oz0 s LEU 366 Cb -0.13 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1oz0 s LEU 366 CO -0.09 0.10 -0.23 -1.58 0.23 0.00 0.00 176.35 174.78 1oz0 s GLN 367 N -2.88 3.06 -0.09 1.70 0.74 0.52 -2.01 119.66 120.70 1oz0 s GLN 367 Ca 0.23 -0.87 0.02 0.00 0.05 0.00 0.00 55.36 54.80 1oz0 s GLN 367 Cb -0.07 -2.34 -0.02 0.00 1.10 0.00 0.00 33.01 31.68 1oz0 s GLN 367 CO 0.12 0.15 -0.14 1.41 -0.55 0.00 0.00 175.29 176.27 1oz0 s MET 368 N 0.42 2.95 -0.23 1.67 -2.45 -0.30 -0.42 119.30 120.94 1oz0 s MET 368 Ca -0.17 -0.70 -0.29 0.00 -1.25 0.00 0.00 55.69 53.28 1oz0 s MET 368 Cb -0.17 -2.49 -0.02 0.00 1.25 0.00 0.00 34.83 33.39 1oz0 s MET 368 CO 0.07 0.40 1.55 0.34 1.05 0.00 0.00 175.02 178.43 1oz0 s ASP 369 N -0.16 6.45 0.18 1.11 2.15 0.49 -4.13 116.67 122.75 1oz0 s ASP 369 Ca -0.01 1.54 0.19 0.00 0.43 0.00 0.00 52.55 54.71 1oz0 s ASP 369 Cb -0.13 -2.53 0.83 0.00 -0.30 0.00 0.00 42.92 40.78 1oz0 s ASP 369 CO 0.03 -1.21 1.58 -0.81 -0.17 0.00 0.00 175.17 174.60 1oz0 n PRO 370 N 7.57 0.12 0.00 4.34 -0.04 -1.26 -2.51 135.00 143.22 1oz0 n PRO 370 Ca 0.18 0.41 0.10 0.00 -0.04 0.00 0.00 63.50 64.15 1oz0 n PRO 370 Cb 0.45 -1.75 -0.07 0.00 -0.04 0.00 0.00 33.50 32.08 1oz0 n PRO 370 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1oz0 n ASN 371 N -1.98 0.87 -4.78 3.54 3.02 -1.26 -4.96 115.26 109.70 1oz0 n ASN 371 Ca 0.02 -0.82 -0.41 0.00 -0.03 0.00 0.00 54.58 53.34 1oz0 n ASN 371 Cb 0.17 0.96 0.00 0.00 -0.61 0.00 0.00 39.78 40.30 1oz0 n ASN 371 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1oz0 s TYR 372 N -3.04 2.58 -0.05 3.10 5.04 -1.04 -5.02 117.35 118.92 1oz0 s TYR 372 Ca 0.07 1.19 0.02 0.00 -2.44 0.00 0.00 57.07 55.91 1oz0 s TYR 372 Cb 0.16 -4.00 0.02 0.00 0.35 0.00 0.00 41.96 38.49 1oz0 s TYR 372 CO 0.85 -2.95 -0.08 -1.21 -1.34 0.00 0.00 175.55 170.82 1oz0 s GLU 373 N -2.14 1.19 0.50 4.97 0.41 -1.26 -5.06 118.70 117.31 1oz0 s GLU 373 Ca 0.54 -0.25 -0.19 0.00 -0.41 0.00 0.00 54.97 54.66 1oz0 s GLU 373 Cb -0.46 -1.06 -0.08 0.00 -1.78 0.00 0.00 34.13 30.75 1oz0 s GLU 373 CO 0.62 -0.02 1.01 -1.25 -0.49 0.00 0.00 175.26 175.13 1oz0 s PRO 374 N 0.74 3.82 0.76 0.39 0.04 -1.26 -5.04 135.00 134.46 1oz0 s PRO 374 Ca -0.12 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 61.99 1oz0 s PRO 374 Cb -0.15 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.34 1oz0 s PRO 374 CO 0.02 -0.39 1.17 -0.51 0.04 0.00 0.00 177.00 177.32 1oz0 s ASP 375 N -2.36 4.09 0.15 6.66 1.01 -1.26 -4.95 116.67 120.02 1oz0 s ASP 375 Ca 0.64 2.21 -0.14 0.00 0.71 0.00 0.00 52.55 55.97 1oz0 s ASP 375 Cb -0.14 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.25 1oz0 s ASP 375 CO 0.24 -2.32 1.71 0.44 0.21 0.00 0.00 175.17 175.44 1oz0 h ASP 376 N -0.67 0.64 -3.06 0.27 5.19 -1.97 -3.45 116.42 113.37 1oz0 h ASP 376 Ca -0.46 -0.15 -0.60 0.00 -0.62 0.00 0.00 57.03 55.20 1oz0 h ASP 376 Cb 1.28 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.58 1oz0 h ASP 376 CO 0.49 0.62 -0.32 0.20 -3.12 0.00 0.00 179.24 177.11 1oz0 s ASN 377 N -5.91 6.54 0.08 6.45 0.01 -1.26 -0.21 114.94 120.64 1oz0 s ASN 377 Ca -0.13 0.64 0.06 0.00 -0.71 0.00 0.00 52.86 52.72 1oz0 s ASN 377 Cb 0.11 -2.12 -0.03 0.00 0.41 0.00 0.00 41.25 39.62 1oz0 s ASN 377 CO 0.76 0.16 -0.15 -1.83 -1.51 0.00 0.00 177.10 174.53 1oz0 s GLU 378 N -2.10 0.89 -0.01 -0.60 -1.05 0.04 -4.86 118.70 111.02 1oz0 s GLU 378 Ca 0.34 -1.02 0.01 0.00 -0.15 0.00 0.00 54.97 54.15 1oz0 s GLU 378 Cb -0.13 -0.94 0.00 0.00 -0.44 0.00 0.00 34.13 32.62 1oz0 s GLU 378 CO 0.20 0.21 -0.03 -1.50 0.95 0.00 0.00 175.26 175.08 1oz0 s ILE 379 N -1.32 0.29 0.13 1.83 -1.16 -1.26 -1.29 121.20 118.42 1oz0 s ILE 379 Ca 0.00 -0.13 0.05 0.00 -0.51 0.00 0.00 60.65 60.07 1oz0 s ILE 379 Cb -0.10 -0.27 -0.04 0.00 0.61 0.00 0.00 42.46 42.66 1oz0 s ILE 379 CO 0.03 0.10 -0.13 0.00 -2.81 0.00 0.00 174.94 172.13 1oz0 s ARG 380 N 0.10 1.02 -0.20 3.50 1.70 0.35 -4.94 118.95 120.48 1oz0 s ARG 380 Ca -0.01 -1.29 -0.06 0.00 -0.47 0.00 0.00 55.73 53.91 1oz0 s ARG 380 Cb -0.04 -0.81 -0.03 0.00 -0.57 0.00 0.00 34.95 33.50 1oz0 s ARG 380 CO -0.00 0.14 0.03 0.99 -1.08 0.00 0.00 175.30 175.38 1oz0 s THR 381 N -2.46 4.28 -0.18 4.99 2.01 -1.26 -0.29 115.64 122.73 1oz0 s THR 381 Ca 0.11 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 61.89 1oz0 s THR 381 Cb -0.03 -2.94 0.05 0.00 0.01 0.00 0.00 72.50 69.59 1oz0 s THR 381 CO 0.02 0.43 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.15 1oz0 s LEU 382 N 0.81 1.55 -1.39 4.42 2.96 -0.12 -4.78 118.68 122.12 1oz0 s LEU 382 Ca 0.02 -0.76 -0.07 0.00 -0.22 0.00 0.00 54.13 53.10 1oz0 s LEU 382 Cb -0.14 -0.81 0.03 0.00 0.50 0.00 0.00 46.19 45.78 1oz0 s LEU 382 CO 0.02 -0.24 0.91 0.00 -1.32 0.00 0.00 176.35 175.72 1oz0 n TYR 383 N 4.92 -2.23 0.00 5.38 9.36 -1.26 -1.84 117.16 131.49 1oz0 n TYR 383 Ca -0.10 0.90 0.00 0.00 3.32 0.00 0.00 57.90 62.02 1oz0 n TYR 383 Cb 0.47 -4.39 0.00 0.00 -0.63 0.00 0.00 39.34 34.79 1oz0 n TYR 383 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1oz0 n GLY 384 N -1.64 2.86 3.98 2.98 0.00 -1.26 -5.00 105.19 107.10 1oz0 n GLY 384 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1oz0 n GLY 384 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oz0 s LEU 385 N 0.00 3.48 -0.09 0.99 1.43 -0.77 -5.05 118.68 118.67 1oz0 s LEU 385 Ca 0.00 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1oz0 s LEU 385 Cb 0.00 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 1oz0 s LEU 385 CO 0.00 -0.92 -0.03 -1.10 0.23 0.00 0.00 176.35 174.53 1oz0 s GLN 386 N -4.60 3.03 -0.21 1.70 1.11 -1.26 -0.95 119.66 118.48 1oz0 s GLN 386 Ca 0.54 -0.48 0.02 0.00 0.01 0.00 0.00 55.36 55.44 1oz0 s GLN 386 Cb -0.10 -2.74 0.04 0.00 -1.01 0.00 0.00 33.01 29.20 1oz0 s GLN 386 CO 0.37 0.60 -0.14 -0.51 0.01 0.00 0.00 175.29 175.62 1oz0 s LEU 387 N -0.62 2.65 -0.01 2.90 1.43 0.60 -4.97 118.68 120.67 1oz0 s LEU 387 Ca 0.10 -0.98 0.03 0.00 -1.03 0.00 0.00 54.13 52.24 1oz0 s LEU 387 Cb -0.12 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 1oz0 s LEU 387 CO 0.02 -0.11 -0.07 -0.32 0.23 0.00 0.00 176.35 176.10 1oz0 s MET 388 N 1.25 2.57 0.21 1.70 1.75 -1.26 -0.50 119.30 125.02 1oz0 s MET 388 Ca -0.02 -0.70 -0.23 0.00 -1.25 0.00 0.00 55.69 53.50 1oz0 s MET 388 Cb -0.16 -2.50 0.04 0.00 2.84 0.00 0.00 34.83 35.05 1oz0 s MET 388 CO -0.09 0.61 0.77 1.14 -0.65 0.00 0.00 175.02 176.80 1oz0 s GLN 389 N -1.27 1.50 0.22 4.11 -2.07 -0.42 -5.01 119.66 116.72 1oz0 s GLN 389 Ca 0.16 -0.78 -0.30 0.00 -1.82 0.00 0.00 55.36 52.62 1oz0 s GLN 389 Cb -0.11 0.54 -0.08 0.00 -1.09 0.00 0.00 33.01 32.27 1oz0 s GLN 389 CO 0.06 -0.68 0.93 0.15 -1.32 0.00 0.00 175.29 174.43 1oz0 s LYS 390 N -3.69 4.82 1.03 9.60 -0.14 -1.26 -0.78 119.74 129.32 1oz0 s LYS 390 Ca 0.09 1.46 -0.14 0.00 -1.36 0.00 0.00 55.97 56.03 1oz0 s LYS 390 Cb -0.04 -3.29 0.20 0.00 -1.68 0.00 0.00 37.83 33.02 1oz0 s LYS 390 CO 0.01 0.48 1.10 -0.98 -0.76 0.00 0.00 175.35 175.20 1oz0 s ARG 391 N -1.00 0.17 -0.60 1.68 1.70 0.71 -4.83 118.95 116.78 1oz0 s ARG 391 Ca 0.42 0.36 -0.22 0.00 -0.47 0.00 0.00 55.73 55.82 1oz0 s ARG 391 Cb -0.25 -1.72 0.07 0.00 -0.57 0.00 0.00 34.95 32.47 1oz0 s ARG 391 CO 0.31 -2.87 0.87 1.21 -1.08 0.00 0.00 175.30 173.74 1oz0 s ASN 392 N -3.61 6.22 -0.16 -2.89 3.84 -1.26 -4.85 114.94 112.22 1oz0 s ASN 392 Ca 0.66 -0.90 0.16 0.00 0.21 0.00 0.00 52.86 52.99 1oz0 s ASN 392 Cb -0.17 -2.39 0.57 0.00 -0.55 0.00 0.00 41.25 38.72 1oz0 s ASN 392 CO 0.57 -1.27 1.48 0.59 -2.79 0.00 0.00 177.10 175.68 1oz0 n ASN 393 N 7.23 4.18 -4.73 -4.21 3.02 -1.26 -5.00 115.26 114.49 1oz0 n ASN 393 Ca -0.04 -2.81 -0.42 0.00 -0.03 0.00 0.00 54.58 51.29 1oz0 n ASN 393 Cb 0.45 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 1oz0 n ASN 393 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1oz0 s ALA 394 N -2.47 3.88 -0.26 5.41 0.00 -1.26 -4.95 121.76 122.11 1oz0 s ALA 394 Ca 0.43 1.60 -0.16 0.00 0.00 0.00 0.00 51.96 53.82 1oz0 s ALA 394 Cb 0.32 -3.69 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1oz0 s ALA 394 CO 0.13 -0.96 0.44 0.14 0.00 0.00 0.00 175.76 175.51 1oz0 s VAL 395 N 0.77 5.12 -0.28 0.00 -7.23 -1.26 -5.05 120.40 112.47 1oz0 s VAL 395 Ca 0.71 0.72 -0.22 0.00 -1.81 0.00 0.00 61.98 61.39 1oz0 s VAL 395 Cb -0.49 -3.76 -0.01 0.00 0.56 0.00 0.00 36.38 32.68 1oz0 s VAL 395 CO 0.38 0.13 0.70 -0.63 -0.31 0.00 0.00 175.10 175.36 1oz0 s ILE 396 N 2.16 4.89 0.37 -0.62 1.09 -1.26 -4.91 121.20 122.92 1oz0 s ILE 396 Ca 0.18 1.11 -0.13 0.00 -1.10 0.00 0.00 60.65 60.72 1oz0 s ILE 396 Cb -0.16 -4.04 0.05 0.00 -1.06 0.00 0.00 42.46 37.25 1oz0 s ILE 396 CO 0.09 -0.12 0.71 -0.90 -0.10 0.00 0.00 174.94 174.62 1oz0 n ASP 397 N 5.95 -2.06 -0.32 3.58 5.68 -1.26 -4.84 116.55 123.29 1oz0 n ASP 397 Ca 0.01 -2.52 0.17 0.00 -0.50 0.00 0.00 54.79 51.95 1oz0 n ASP 397 Cb 0.48 3.45 0.37 0.00 -1.14 0.00 0.00 41.12 44.28 1oz0 n ASP 397 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1oz0 h ARG 398 N 0.00 0.38 -0.23 0.11 2.43 -1.94 -1.11 114.38 114.02 1oz0 h ARG 398 Ca -0.31 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 58.91 1oz0 h ARG 398 Cb 1.15 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1oz0 h ARG 398 CO 0.39 0.25 0.20 0.66 -1.51 0.00 0.00 179.97 179.97 1oz0 h SER 399 N 0.39 0.00 0.11 -3.80 4.64 -1.96 -2.47 113.55 110.46 1oz0 h SER 399 Ca 0.62 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.93 1oz0 h SER 399 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1oz0 h SER 399 CO -0.56 0.00 -0.04 0.25 -0.87 0.00 0.00 176.83 175.61 1oz0 h LEU 400 N 0.00 0.00 -2.68 5.97 5.85 -1.55 -2.99 115.31 119.91 1oz0 h LEU 400 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1oz0 h LEU 400 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1oz0 h LEU 400 CO -0.00 0.04 0.00 0.49 -0.34 0.00 0.00 178.44 178.63 1oz0 n PHE 401 N -3.84 1.16 1.19 1.25 3.72 -0.93 -4.47 117.46 115.53 1oz0 n PHE 401 Ca -0.03 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.87 1oz0 n PHE 401 Cb 0.13 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 1oz0 n PHE 401 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1oz0 n LYS 402 N 1.22 0.69 -3.23 -1.08 4.76 -1.13 -3.98 118.16 115.40 1oz0 n LYS 402 Ca 0.23 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.41 1oz0 n LYS 402 Cb 0.71 -1.09 -0.06 0.00 -1.84 0.00 0.00 35.03 32.74 1oz0 n LYS 402 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1oz0 n ASN 403 N -0.32 3.22 -4.63 4.39 5.15 -1.26 -5.05 115.26 116.75 1oz0 n ASN 403 Ca 0.00 -3.37 -0.43 0.00 -0.60 0.00 0.00 54.58 50.18 1oz0 n ASN 403 Cb 0.05 -0.63 -0.02 0.00 -0.53 0.00 0.00 39.78 38.64 1oz0 n ASN 403 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1oz0 s ILE 404 N -2.87 4.06 -1.07 -1.44 1.01 -1.26 -2.96 121.20 116.68 1oz0 s ILE 404 Ca 0.42 1.20 0.14 0.00 0.00 0.00 0.00 60.65 62.41 1oz0 s ILE 404 Cb 0.21 -4.08 0.59 0.00 0.01 0.00 0.00 42.46 39.19 1oz0 s ILE 404 CO -0.07 -0.45 1.46 1.33 0.00 0.00 0.00 174.94 177.21 1oz0 n VAL 405 N 6.25 1.60 -3.32 2.92 0.24 -0.22 -4.90 118.33 120.89 1oz0 n VAL 405 Ca 0.15 -0.97 -0.19 0.00 -2.04 0.00 0.00 64.34 61.29 1oz0 n VAL 405 Cb 0.46 -0.03 -0.01 0.00 -1.47 0.00 0.00 33.84 32.79 1oz0 n VAL 405 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1oz0 s THR 406 N -1.90 2.76 -0.07 3.34 -4.23 -1.25 -4.95 115.64 109.33 1oz0 s THR 406 Ca 0.41 -1.19 -0.26 0.00 -1.18 0.00 0.00 61.69 59.47 1oz0 s THR 406 Cb 0.28 -2.95 -0.21 0.00 1.34 0.00 0.00 72.50 70.95 1oz0 s THR 406 CO 0.18 0.00 1.00 0.11 -0.54 0.00 0.00 174.62 175.37 1oz0 h LYS 407 N 0.83 -0.03 -6.35 3.99 1.57 -1.93 -3.43 116.57 111.21 1oz0 h LYS 407 Ca -0.40 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.83 1oz0 h LYS 407 Cb 1.27 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 1oz0 h LYS 407 CO 0.52 0.62 0.54 1.21 -0.57 0.00 0.00 179.45 181.77 1oz0 s ASN 408 N -5.84 7.21 -0.58 0.86 2.47 -1.26 -4.95 114.94 112.85 1oz0 s ASN 408 Ca -0.16 1.71 0.00 0.00 0.42 0.00 0.00 52.86 54.83 1oz0 s ASN 408 Cb -0.00 -2.56 0.52 0.00 -1.45 0.00 0.00 41.25 37.75 1oz0 s ASN 408 CO 0.64 -0.43 1.99 0.29 -3.72 0.00 0.00 177.10 175.86 1oz0 n LYS 409 N 4.57 2.50 -2.05 0.43 4.01 -1.26 -4.77 118.16 121.59 1oz0 n LYS 409 Ca 0.09 -3.12 -0.42 0.00 -0.51 0.00 0.00 58.31 54.34 1oz0 n LYS 409 Cb 0.48 -2.22 -0.03 0.00 -0.51 0.00 0.00 35.03 32.75 1oz0 n LYS 409 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1oz0 s THR 410 N -4.18 3.34 -0.46 -0.18 2.01 -1.26 -4.91 115.64 110.00 1oz0 s THR 410 Ca 0.61 0.74 0.04 0.00 0.31 0.00 0.00 61.69 63.39 1oz0 s THR 410 Cb 0.49 -3.48 0.23 0.00 0.01 0.00 0.00 72.50 69.75 1oz0 s THR 410 CO 0.03 -0.01 0.91 -0.11 -0.69 0.00 0.00 174.62 174.76 1oz0 n LEU 411 N 5.62 -2.70 -4.70 4.42 7.94 -1.26 -4.73 117.00 121.59 1oz0 n LEU 411 Ca 0.15 -2.71 -0.31 0.00 -1.11 0.00 0.00 56.01 52.03 1oz0 n LEU 411 Cb 0.42 0.74 0.14 0.00 0.53 0.00 0.00 43.42 45.25 1oz0 n LEU 411 CO 0.61 1.83 0.70 -2.16 -1.11 0.00 0.00 177.39 177.26 1oz0 s PRO 412 N 0.70 1.45 0.25 1.96 0.04 -1.26 -4.73 135.00 133.42 1oz0 s PRO 412 Ca 0.30 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 1oz0 s PRO 412 Cb 0.14 -1.78 0.51 0.00 0.04 0.00 0.00 34.50 33.41 1oz0 s PRO 412 CO -0.15 -2.30 1.70 0.93 0.04 0.00 0.00 177.00 177.23 1oz0 h GLU 413 N -1.51 0.35 -0.97 4.56 4.39 -2.01 0.16 114.58 119.56 1oz0 h GLU 413 Ca -0.44 -0.02 0.20 0.00 0.34 0.00 0.00 59.36 59.44 1oz0 h GLU 413 Cb 1.26 -0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 29.75 1oz0 h GLU 413 CO 0.45 0.23 0.61 0.66 -1.16 0.00 0.00 179.01 179.81 1oz0 h SER 414 N 0.36 0.60 0.34 1.42 4.64 -1.99 0.30 113.55 119.22 1oz0 h SER 414 Ca 0.44 0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 61.65 1oz0 h SER 414 Cb 0.75 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1oz0 h SER 414 CO -0.47 0.22 -0.74 0.00 -0.87 0.00 0.00 176.83 174.97 1oz0 h ALA 415 N 1.62 0.62 -0.05 5.18 0.00 -1.03 0.50 119.26 126.11 1oz0 h ALA 415 Ca 0.53 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1oz0 h ALA 415 Cb 1.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1oz0 h ALA 415 CO -0.28 0.78 0.02 0.28 0.00 0.00 0.00 179.25 180.05 1oz0 h VAL 416 N 0.22 1.13 -0.28 0.00 2.07 0.25 0.11 116.25 119.76 1oz0 h VAL 416 Ca -0.03 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1oz0 h VAL 416 Cb 1.31 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1oz0 h VAL 416 CO 0.12 0.11 0.09 -0.09 0.02 0.00 0.00 177.57 177.83 1oz0 h ARG 417 N -0.07 0.42 -0.79 1.57 2.43 -0.94 -1.69 114.38 115.30 1oz0 h ARG 417 Ca 0.02 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1oz0 h ARG 417 Cb 0.16 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 1oz0 h ARG 417 CO -0.00 0.47 0.51 -0.44 -1.51 0.00 0.00 179.97 179.00 1oz0 h ASP 418 N 0.29 0.85 -0.24 -3.80 5.19 -0.76 -0.99 116.42 116.96 1oz0 h ASP 418 Ca 0.09 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 1oz0 h ASP 418 Cb 0.22 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 1oz0 h ASP 418 CO -0.00 0.60 0.12 -0.07 -3.12 0.00 0.00 179.24 176.76 1oz0 h LEU 419 N 1.01 0.31 -0.31 1.55 3.38 -0.60 -1.30 115.31 119.35 1oz0 h LEU 419 Ca 0.31 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1oz0 h LEU 419 Cb -0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1oz0 h LEU 419 CO -0.10 0.34 0.10 0.40 0.09 0.00 0.00 178.44 179.27 1oz0 h ILE 420 N 0.25 0.90 -0.14 1.22 2.04 -0.88 0.20 117.51 121.10 1oz0 h ILE 420 Ca 0.08 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1oz0 h ILE 420 Cb 0.11 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1oz0 h ILE 420 CO -0.01 0.04 -0.02 0.58 0.00 0.00 0.00 178.15 178.74 1oz0 h VAL 421 N 0.23 0.87 -1.01 1.67 2.07 -1.04 0.36 116.25 119.41 1oz0 h VAL 421 Ca 0.14 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.69 1oz0 h VAL 421 Cb 0.12 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 1oz0 h VAL 421 CO -0.15 0.00 0.66 0.00 0.02 0.00 0.00 177.57 178.10 1oz0 h ALA 422 N 1.14 1.34 -0.14 1.67 0.00 -0.72 0.45 119.26 122.99 1oz0 h ALA 422 Ca 0.07 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1oz0 h ALA 422 Cb 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1oz0 h ALA 422 CO -0.13 0.57 -0.37 0.77 0.00 0.00 0.00 179.25 180.08 1oz0 h SER 423 N 1.28 0.57 0.13 0.00 0.02 -0.20 -1.69 113.55 113.67 1oz0 h SER 423 Ca 0.40 -0.58 -0.09 0.00 -0.84 0.00 0.00 61.79 60.68 1oz0 h SER 423 Cb -0.01 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1oz0 h SER 423 CO -0.12 1.05 -0.32 0.40 -1.14 0.00 0.00 176.83 176.70 1oz0 h ILE 424 N 0.12 1.27 -0.02 3.27 2.04 -0.75 -0.88 117.51 122.55 1oz0 h ILE 424 Ca -0.01 -1.30 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 1oz0 h ILE 424 Cb 0.98 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1oz0 h ILE 424 CO 0.08 0.40 0.01 0.00 0.00 0.00 0.00 178.15 178.63 1oz0 h ALA 425 N 1.43 0.03 -0.82 1.87 0.00 -0.85 -3.11 119.26 117.81 1oz0 h ALA 425 Ca 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1oz0 h ALA 425 Cb 0.69 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1oz0 h ALA 425 CO 0.05 -0.34 0.46 -0.39 0.00 0.00 0.00 179.25 179.03 1oz0 h VAL 426 N -0.20 1.24 -0.73 0.00 -1.51 -1.00 -1.68 116.25 112.37 1oz0 h VAL 426 Ca 0.01 -0.57 0.21 0.00 -1.23 0.00 0.00 66.70 65.12 1oz0 h VAL 426 Cb 0.25 0.12 -0.03 0.00 -2.13 0.00 0.00 31.29 29.50 1oz0 h VAL 426 CO 0.00 0.26 0.65 0.50 -1.23 0.00 0.00 177.57 177.75 1oz0 h LYS 427 N 1.13 0.00 -0.43 5.19 3.64 -1.10 0.11 116.57 125.11 1oz0 h LYS 427 Ca 0.29 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.42 1oz0 h LYS 427 Cb 0.01 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 31.67 1oz0 h LYS 427 CO -0.05 0.00 -0.13 0.66 -2.27 0.00 0.00 179.45 177.66 1oz0 n TYR 428 N -3.87 1.37 -5.27 1.91 4.01 -0.64 -4.73 117.16 109.94 1oz0 n TYR 428 Ca 0.15 -1.77 -0.31 0.00 -0.16 0.00 0.00 57.90 55.80 1oz0 n TYR 428 Cb 0.92 -0.53 -0.16 0.00 -0.31 0.00 0.00 39.34 39.26 1oz0 n TYR 428 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1oz0 s THR 429 N -3.51 2.09 0.04 -0.72 -1.32 0.37 -4.21 115.64 108.39 1oz0 s THR 429 Ca 0.46 -1.07 -0.35 0.00 -1.21 0.00 0.00 61.69 59.52 1oz0 s THR 429 Cb 0.41 -1.74 -0.14 0.00 -1.51 0.00 0.00 72.50 69.53 1oz0 s THR 429 CO -0.00 0.57 1.65 0.00 -2.21 0.00 0.00 174.62 174.64 1oz0 n GLN 430 N 2.72 1.94 -1.55 7.08 1.13 -1.26 -4.45 117.38 122.99 1oz0 n GLN 430 Ca -0.17 0.71 -0.32 0.00 -1.94 0.00 0.00 57.00 55.27 1oz0 n GLN 430 Cb 0.52 -2.48 0.07 0.00 0.11 0.00 0.00 30.24 28.46 1oz0 n GLN 430 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1oz0 s SER 431 N 2.06 4.80 0.62 1.08 0.01 -0.23 0.44 113.70 122.48 1oz0 s SER 431 Ca 0.86 1.97 -0.07 0.00 1.31 0.00 0.00 55.95 60.01 1oz0 s SER 431 Cb -0.75 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 62.95 1oz0 s SER 431 CO 0.46 -1.84 0.95 0.54 0.41 0.00 0.00 173.24 173.76 1oz0 s ASN 432 N -2.82 5.51 0.09 2.44 2.20 -0.86 -3.24 114.94 118.26 1oz0 s ASN 432 Ca 0.65 0.80 -0.17 0.00 -0.94 0.00 0.00 52.86 53.20 1oz0 s ASN 432 Cb -0.20 -1.72 0.04 0.00 -2.00 0.00 0.00 41.25 37.36 1oz0 s ASN 432 CO 0.47 -1.16 0.41 -0.94 -2.94 0.00 0.00 177.10 172.94 1oz0 s SER 433 N -4.33 -0.26 0.02 3.54 1.04 -1.26 -2.58 113.70 109.86 1oz0 s SER 433 Ca 0.55 -0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.81 1oz0 s SER 433 Cb -0.11 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 1oz0 s SER 433 CO 0.47 -0.77 -0.04 -0.69 0.98 0.00 0.00 173.24 173.19 1oz0 s VAL 434 N -3.24 0.21 -0.04 5.02 1.01 -1.18 -1.68 120.40 120.51 1oz0 s VAL 434 Ca -0.01 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1oz0 s VAL 434 Cb 0.01 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 36.14 1oz0 s VAL 434 CO -0.08 -0.26 0.08 0.00 0.00 0.00 0.00 175.10 174.85 1oz0 s TYR 436 N 1.40 3.33 0.04 0.00 1.51 0.41 -0.66 117.35 123.38 1oz0 s TYR 436 Ca -0.06 0.20 0.06 0.00 -1.01 0.00 0.00 57.07 56.26 1oz0 s TYR 436 Cb -0.12 -2.14 -0.02 0.00 -0.11 0.00 0.00 41.96 39.56 1oz0 s TYR 436 CO -0.04 0.20 -0.17 0.00 -1.11 0.00 0.00 175.55 174.43 1oz0 s ALA 437 N 0.46 1.43 -0.24 3.71 0.00 0.53 -0.95 121.76 126.71 1oz0 s ALA 437 Ca 0.06 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.92 1oz0 s ALA 437 Cb -0.12 -0.26 0.07 0.00 0.00 0.00 0.00 23.12 22.80 1oz0 s ALA 437 CO -0.00 0.30 0.62 0.21 0.00 0.00 0.00 175.76 176.89 1oz0 s LYS 438 N -1.08 0.68 -1.30 0.00 2.47 -0.01 -1.43 119.74 119.08 1oz0 s LYS 438 Ca 0.05 0.97 -0.08 0.00 -1.56 0.00 0.00 55.97 55.35 1oz0 s LYS 438 Cb -0.08 0.24 0.01 0.00 -1.46 0.00 0.00 37.83 36.54 1oz0 s LYS 438 CO 0.01 -0.12 1.03 -0.25 0.16 0.00 0.00 175.35 176.19 1oz0 n ASP 439 N 3.42 -6.09 -0.28 1.43 8.00 -1.26 -2.07 116.55 119.70 1oz0 n ASP 439 Ca -0.17 -0.47 -0.04 0.00 0.71 0.00 0.00 54.79 54.83 1oz0 n ASP 439 Cb 0.57 -4.74 -0.02 0.00 -0.02 0.00 0.00 41.12 36.91 1oz0 n ASP 439 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oz0 n GLY 440 N -1.86 0.63 3.13 0.44 0.00 -1.26 -4.74 105.19 101.53 1oz0 n GLY 440 Ca -0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 1oz0 n GLY 440 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1oz0 s GLN 441 N -1.66 0.67 0.06 1.61 -2.07 -0.88 -2.10 119.66 115.30 1oz0 s GLN 441 Ca 0.00 -1.06 -0.31 0.00 -1.82 0.00 0.00 55.36 52.18 1oz0 s GLN 441 Cb 0.00 0.25 -0.06 0.00 -1.09 0.00 0.00 33.01 32.12 1oz0 s GLN 441 CO 0.00 -0.16 1.19 0.08 -1.32 0.00 0.00 175.29 175.08 1oz0 s VAL 442 N -3.66 4.04 0.00 3.63 1.01 -0.31 -0.83 120.40 124.29 1oz0 s VAL 442 Ca 0.04 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1oz0 s VAL 442 Cb 0.05 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1oz0 s VAL 442 CO -0.09 0.12 0.00 2.30 0.00 0.00 0.00 175.10 177.42 1oz0 n ILE 443 N 3.90 0.00 -3.64 2.22 -5.35 -0.12 -4.41 119.36 111.96 1oz0 n ILE 443 Ca 0.09 -0.29 -0.06 0.00 -0.27 0.00 0.00 62.75 62.22 1oz0 n ILE 443 Cb 0.46 0.80 -0.07 0.00 -1.74 0.00 0.00 39.64 39.10 1oz0 n ILE 443 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1oz0 s GLY 444 N -1.30 -0.65 -0.06 3.28 0.00 -1.12 -3.55 107.32 103.92 1oz0 s GLY 444 Ca 0.00 2.39 -0.04 0.00 0.00 0.00 0.00 44.72 47.08 1oz0 s GLY 444 CO 0.00 2.50 0.15 -1.50 0.00 0.00 0.00 173.10 174.24 1oz0 s ILE 445 N 1.83 -0.03 -0.08 0.90 2.07 -1.26 -0.44 121.20 124.19 1oz0 s ILE 445 Ca -0.09 0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.27 1oz0 s ILE 445 Cb -0.06 -0.23 -0.02 0.00 0.13 0.00 0.00 42.46 42.28 1oz0 s ILE 445 CO -0.20 0.04 -0.15 -0.83 -1.91 0.00 0.00 174.94 171.90 1oz0 s GLY 446 N 0.72 1.51 0.06 1.50 0.00 -0.53 -4.57 107.32 106.01 1oz0 s GLY 446 Ca -0.05 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.75 1oz0 s GLY 446 CO -0.04 -0.52 -0.09 0.00 0.00 0.00 0.00 173.10 172.46 1oz0 s ALA 447 N -0.23 0.75 -1.80 3.20 0.00 -1.26 -3.08 121.76 119.35 1oz0 s ALA 447 Ca 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1oz0 s ALA 447 Cb -0.13 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1oz0 s ALA 447 CO 0.03 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1oz0 n GLY 448 N 1.20 0.96 3.90 0.00 0.00 0.17 -4.86 105.19 106.57 1oz0 n GLY 448 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 1oz0 n GLY 448 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1oz0 s GLN 449 N -4.05 2.53 0.00 1.61 -1.52 -1.16 -4.53 119.66 112.53 1oz0 s GLN 449 Ca 0.00 0.12 0.07 0.00 -1.95 0.00 0.00 55.36 53.60 1oz0 s GLN 449 Cb 0.00 -2.09 0.18 0.00 -0.22 0.00 0.00 33.01 30.87 1oz0 s GLN 449 CO 0.00 -1.13 1.08 1.04 -0.25 0.00 0.00 175.29 176.03 1oz0 n GLN 450 N -2.96 2.27 -3.67 2.91 6.02 -1.26 -2.02 117.38 118.67 1oz0 n GLN 450 Ca 0.07 -1.67 -0.08 0.00 -0.01 0.00 0.00 57.00 55.31 1oz0 n GLN 450 Cb 0.59 -1.18 -0.09 0.00 1.02 0.00 0.00 30.24 30.59 1oz0 n GLN 450 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1oz0 s SER 451 N -0.92 -0.72 0.17 1.08 1.04 -1.26 -5.08 113.70 108.02 1oz0 s SER 451 Ca 0.14 1.20 -0.21 0.00 0.48 0.00 0.00 55.95 57.56 1oz0 s SER 451 Cb 0.08 1.16 0.08 0.00 0.10 0.00 0.00 66.02 67.43 1oz0 s SER 451 CO 0.11 -0.22 1.61 -0.09 0.98 0.00 0.00 173.24 175.63 1oz0 h ARG 452 N 7.19 -0.20 -0.57 4.02 9.65 -1.96 -1.91 114.38 130.61 1oz0 h ARG 452 Ca -0.31 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.64 1oz0 h ARG 452 Cb 1.19 0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 29.76 1oz0 h ARG 452 CO 0.22 -0.13 0.27 0.97 2.80 0.00 0.00 179.97 184.09 1oz0 h ILE 453 N -0.21 0.89 -0.66 1.20 6.09 -1.98 0.17 117.51 123.01 1oz0 h ILE 453 Ca 0.18 -0.17 0.09 0.00 -1.37 0.00 0.00 64.86 63.59 1oz0 h ILE 453 Cb 0.49 0.35 -0.07 0.00 0.47 0.00 0.00 36.82 38.06 1oz0 h ILE 453 CO -0.50 0.09 0.30 0.45 -3.07 0.00 0.00 178.15 175.41 1oz0 h HIS 454 N 0.50 0.52 -0.07 2.19 3.86 -1.81 0.89 115.15 121.24 1oz0 h HIS 454 Ca 0.27 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.50 1oz0 h HIS 454 Cb 0.24 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1oz0 h HIS 454 CO -0.12 0.17 0.01 0.00 0.86 0.00 0.00 177.93 178.85 1oz0 h THR 456 N -0.12 1.14 0.06 0.00 2.02 -0.19 -0.16 112.91 115.66 1oz0 h THR 456 Ca 0.02 -0.31 -0.26 0.00 0.77 0.00 0.00 66.41 66.64 1oz0 h THR 456 Cb 0.27 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1oz0 h THR 456 CO 0.00 0.17 -1.09 0.03 0.37 0.00 0.00 175.52 175.00 1oz0 h ARG 457 N 0.91 0.43 -0.33 6.66 3.08 -0.70 -0.34 114.38 124.08 1oz0 h ARG 457 Ca 0.27 -0.54 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 1oz0 h ARG 457 Cb -0.02 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1oz0 h ARG 457 CO -0.07 1.20 0.16 1.25 -1.07 0.00 0.00 179.97 181.44 1oz0 h LEU 458 N 0.21 0.44 -0.46 3.04 5.85 -0.55 -0.23 115.31 123.60 1oz0 h LEU 458 Ca -0.12 -0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.32 1oz0 h LEU 458 Cb 1.75 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 1oz0 h LEU 458 CO 0.19 0.44 -0.41 0.00 -0.34 0.00 0.00 178.44 178.32 1oz0 h ALA 459 N 1.02 0.64 -0.35 1.25 0.00 -1.08 -2.87 119.26 117.87 1oz0 h ALA 459 Ca 0.11 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1oz0 h ALA 459 Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1oz0 h ALA 459 CO -0.01 0.67 0.21 0.78 0.00 0.00 0.00 179.25 180.90 1oz0 h GLY 460 N 0.86 0.49 1.84 0.00 0.00 -0.71 -0.61 103.07 104.94 1oz0 h GLY 460 Ca 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1oz0 h GLY 460 CO 0.09 0.14 -0.03 -0.55 0.00 0.00 0.00 176.54 176.20 1oz0 h ASP 461 N 0.43 0.19 -0.41 0.19 5.19 -1.02 0.44 116.42 121.42 1oz0 h ASP 461 Ca 0.14 -0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.43 1oz0 h ASP 461 Cb -0.00 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 1oz0 h ASP 461 CO -0.06 0.26 -0.11 0.11 -3.12 0.00 0.00 179.24 176.32 1oz0 h LYS 462 N 0.21 0.80 -0.20 3.56 1.57 -1.15 -2.29 116.57 119.07 1oz0 h LYS 462 Ca 0.05 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.46 1oz0 h LYS 462 Cb 0.19 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1oz0 h LYS 462 CO 0.01 0.93 -0.12 0.00 -0.57 0.00 0.00 179.45 179.70 1oz0 h ALA 463 N 0.85 1.43 0.05 3.86 0.00 0.08 -2.06 119.26 123.46 1oz0 h ALA 463 Ca 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1oz0 h ALA 463 Cb 0.64 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1oz0 h ALA 463 CO 0.04 0.40 -0.02 -0.91 0.00 0.00 0.00 179.25 178.76 1oz0 h ASN 464 N 0.31 -0.05 -0.60 0.00 2.35 -0.60 -2.10 115.58 114.88 1oz0 h ASN 464 Ca 0.06 -0.09 0.12 0.00 -0.55 0.00 0.00 56.30 55.84 1oz0 h ASN 464 Cb 0.40 0.01 -0.09 0.00 0.05 0.00 0.00 38.32 38.69 1oz0 h ASN 464 CO 0.02 0.06 0.07 0.28 -1.65 0.00 0.00 177.43 176.21 1oz0 h SER 465 N -0.16 -0.12 -0.14 5.81 0.02 -0.96 0.51 113.55 118.50 1oz0 h SER 465 Ca -0.01 0.13 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1oz0 h SER 465 Cb 0.14 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1oz0 h SER 465 CO 0.01 -0.05 -0.04 -0.25 -1.14 0.00 0.00 176.83 175.35 1oz0 h TRP 466 N 0.19 -0.10 -0.65 3.45 7.01 -1.23 -2.02 115.95 122.61 1oz0 h TRP 466 Ca 0.32 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.29 1oz0 h TRP 466 Cb 0.50 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.60 1oz0 h TRP 466 CO -0.30 -0.08 0.23 2.35 -2.79 0.00 0.00 178.44 177.86 1oz0 h TRP 467 N -0.02 1.01 0.00 2.65 -0.00 -0.47 -2.30 115.95 116.82 1oz0 h TRP 467 Ca 0.07 -0.09 -0.00 0.00 -0.00 0.00 0.00 58.89 58.87 1oz0 h TRP 467 Cb 0.12 -0.30 -0.00 0.00 -0.00 0.00 0.00 29.16 28.99 1oz0 h TRP 467 CO -0.19 0.81 -0.01 -0.07 -0.00 0.00 0.00 178.44 178.98 1oz0 h LEU 468 N 0.92 0.00 0.00 0.65 3.38 0.29 -1.27 115.31 119.27 1oz0 h LEU 468 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1oz0 h LEU 468 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1oz0 h LEU 468 CO -0.01 0.01 0.00 0.54 0.09 0.00 0.00 178.44 179.07 1oz0 n ARG 469 N -3.13 0.12 0.00 1.13 1.74 -0.79 -2.02 116.66 113.71 1oz0 n ARG 469 Ca -0.01 0.07 0.12 0.00 -0.77 0.00 0.00 57.85 57.26 1oz0 n ARG 469 Cb 0.20 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.37 1oz0 n ARG 469 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1oz0 n HIS 470 N -1.43 0.00 -1.91 -1.55 8.25 -0.48 -4.58 115.22 113.52 1oz0 n HIS 470 Ca 0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.12 1oz0 n HIS 470 Cb 0.25 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 1oz0 n HIS 470 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1oz0 s HIS 471 N -2.57 3.03 0.26 4.41 5.04 -0.86 -4.79 115.29 119.81 1oz0 s HIS 471 Ca 0.21 0.65 -0.08 0.00 -1.54 0.00 0.00 55.06 54.29 1oz0 s HIS 471 Cb 0.19 -3.95 0.44 0.00 0.04 0.00 0.00 32.58 29.30 1oz0 s HIS 471 CO 0.57 -3.44 1.59 -1.35 -2.34 0.00 0.00 174.74 169.77 1oz0 h PRO 472 N 6.50 0.01 -0.66 2.88 0.11 -1.92 0.45 132.00 139.38 1oz0 h PRO 472 Ca -0.43 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.81 1oz0 h PRO 472 Cb 1.21 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1oz0 h PRO 472 CO 0.90 0.01 0.45 0.00 -0.21 0.00 0.00 178.00 179.14 1oz0 h ARG 473 N 0.01 0.33 0.07 1.05 3.08 -1.96 0.20 114.38 117.17 1oz0 h ARG 473 Ca 0.44 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 60.33 1oz0 h ARG 473 Cb 0.72 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.71 1oz0 h ARG 473 CO -0.87 0.22 -0.58 0.28 -1.07 0.00 0.00 179.97 177.94 1oz0 h VAL 474 N 0.34 1.54 -0.55 2.04 2.07 -0.47 -3.24 116.25 117.97 1oz0 h VAL 474 Ca 0.32 -2.33 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 1oz0 h VAL 474 Cb 0.77 3.03 -0.03 0.00 -1.52 0.00 0.00 31.29 33.55 1oz0 h VAL 474 CO -0.08 0.65 0.30 -0.07 0.02 0.00 0.00 177.57 178.39 1oz0 h LEU 475 N -0.41 0.67 -0.10 2.57 3.38 -0.22 -1.62 115.31 119.58 1oz0 h LEU 475 Ca -0.09 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1oz0 h LEU 475 Cb 1.40 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1oz0 h LEU 475 CO 0.11 0.55 0.00 -1.54 0.09 0.00 0.00 178.44 177.65 1oz0 n SER 476 N -4.40 0.16 -4.53 -0.43 3.41 0.60 -4.91 113.62 103.52 1oz0 n SER 476 Ca 0.05 -1.06 -0.45 0.00 -0.26 0.00 0.00 58.87 57.16 1oz0 n SER 476 Cb 0.10 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1oz0 n SER 476 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1oz0 n MET 477 N -0.88 0.98 -3.98 4.33 2.81 -0.61 -4.97 117.12 114.80 1oz0 n MET 477 Ca 0.23 0.35 -0.31 0.00 -1.81 0.00 0.00 57.70 56.16 1oz0 n MET 477 Cb 0.14 -1.64 -0.15 0.00 -0.71 0.00 0.00 33.22 30.85 1oz0 n MET 477 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1oz0 s LYS 478 N -1.48 1.72 0.20 0.03 1.02 -1.26 -5.10 119.74 114.87 1oz0 s LYS 478 Ca 0.61 -1.26 -0.05 0.00 0.02 0.00 0.00 55.97 55.28 1oz0 s LYS 478 Cb -0.72 -2.75 -0.06 0.00 -0.52 0.00 0.00 37.83 33.79 1oz0 s LYS 478 CO 0.59 -0.68 0.45 -0.06 -0.92 0.00 0.00 175.35 174.73 1oz0 s PHE 479 N 1.24 3.47 -0.04 3.18 0.08 -1.26 0.13 117.98 124.77 1oz0 s PHE 479 Ca -0.03 0.61 -0.30 0.00 0.12 0.00 0.00 56.93 57.33 1oz0 s PHE 479 Cb -0.19 -2.06 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 1oz0 s PHE 479 CO -0.07 0.34 1.24 0.15 -0.10 0.00 0.00 175.22 176.77 1oz0 s LYS 480 N -2.97 4.34 0.44 0.44 1.02 0.09 -4.49 119.74 118.61 1oz0 s LYS 480 Ca 0.43 1.73 -0.23 0.00 0.02 0.00 0.00 55.97 57.92 1oz0 s LYS 480 Cb -0.11 -3.55 -0.11 0.00 -0.52 0.00 0.00 37.83 33.53 1oz0 s LYS 480 CO 0.26 -0.46 0.79 0.00 -0.92 0.00 0.00 175.35 175.01 1oz0 n ALA 481 N 5.19 -0.61 0.00 5.17 0.00 -1.26 -2.71 120.51 126.29 1oz0 n ALA 481 Ca 0.11 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1oz0 n ALA 481 Cb 0.46 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1oz0 n ALA 481 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oz0 n GLY 482 N 1.48 3.16 3.73 0.00 0.00 -1.26 -5.06 105.19 107.24 1oz0 n GLY 482 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1oz0 n GLY 482 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oz0 s VAL 483 N -2.76 3.64 0.57 1.61 1.01 -1.10 -5.00 120.40 118.37 1oz0 s VAL 483 Ca 0.00 1.32 -0.19 0.00 0.00 0.00 0.00 61.98 63.11 1oz0 s VAL 483 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1oz0 s VAL 483 CO 0.00 0.18 1.15 -0.54 0.00 0.00 0.00 175.10 175.89 1oz0 s LYS 484 N 0.13 3.15 0.47 2.72 -0.14 -1.26 -4.86 119.74 119.95 1oz0 s LYS 484 Ca 0.55 1.66 0.13 0.00 -1.36 0.00 0.00 55.97 56.95 1oz0 s LYS 484 Cb -0.32 -1.97 1.07 0.00 -1.68 0.00 0.00 37.83 34.92 1oz0 s LYS 484 CO 0.35 -1.02 2.08 0.07 -0.76 0.00 0.00 175.35 176.06 1oz0 h ARG 485 N 0.96 0.17 -0.63 1.68 0.11 -1.94 -0.94 114.38 113.79 1oz0 h ARG 485 Ca -0.50 -0.02 -0.06 0.00 0.10 0.00 0.00 59.98 59.51 1oz0 h ARG 485 Cb 1.27 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 32.29 1oz0 h ARG 485 CO 0.56 0.16 0.15 0.00 0.10 0.00 0.00 179.97 180.95 1oz0 h ALA 486 N 1.87 1.09 -0.12 0.08 0.00 -1.93 0.23 119.26 120.47 1oz0 h ALA 486 Ca 0.04 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.51 1oz0 h ALA 486 Cb 0.07 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1oz0 h ALA 486 CO -0.00 0.61 -0.78 0.93 0.00 0.00 0.00 179.25 180.00 1oz0 h GLU 487 N 0.94 0.68 0.01 0.00 5.08 -1.62 -1.57 114.58 118.10 1oz0 h GLU 487 Ca 0.20 -0.56 0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1oz0 h GLU 487 Cb 0.33 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1oz0 h GLU 487 CO -0.00 1.18 -0.08 0.28 -1.00 0.00 0.00 179.01 179.39 1oz0 h VAL 488 N 0.46 0.81 -0.64 3.13 2.07 -0.85 0.93 116.25 122.15 1oz0 h VAL 488 Ca -0.05 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.59 1oz0 h VAL 488 Cb 1.40 0.81 -0.09 0.00 -1.52 0.00 0.00 31.29 31.89 1oz0 h VAL 488 CO 0.15 0.00 0.18 -1.28 0.02 0.00 0.00 177.57 176.65 1oz0 h SER 489 N -0.14 0.10 -0.07 0.57 0.87 -0.87 -1.02 113.55 112.99 1oz0 h SER 489 Ca 0.03 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1oz0 h SER 489 Cb 0.17 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1oz0 h SER 489 CO -0.07 0.05 -0.03 0.78 -0.53 0.00 0.00 176.83 177.02 1oz0 h ASN 490 N 0.32 0.15 -0.06 6.23 4.21 -0.83 -2.12 115.58 123.48 1oz0 h ASN 490 Ca 0.34 -0.41 0.02 0.00 1.21 0.00 0.00 56.30 57.46 1oz0 h ASN 490 Cb 0.50 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.66 1oz0 h ASN 490 CO -0.40 0.53 0.08 0.00 -1.29 0.00 0.00 177.43 176.35 1oz0 h ALA 491 N 0.63 1.59 0.12 -0.83 0.00 -0.48 0.34 119.26 120.62 1oz0 h ALA 491 Ca 0.02 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1oz0 h ALA 491 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1oz0 h ALA 491 CO 0.01 -0.11 -0.94 0.82 0.00 0.00 0.00 179.25 179.03 1oz0 h ILE 492 N 0.00 1.37 -0.61 0.00 2.04 -1.04 -2.57 117.51 116.69 1oz0 h ILE 492 Ca 0.03 -2.47 0.01 0.00 1.00 0.00 0.00 64.86 63.43 1oz0 h ILE 492 Cb 0.18 3.03 -0.03 0.00 -0.74 0.00 0.00 36.82 39.26 1oz0 h ILE 492 CO -0.00 0.69 0.40 0.44 0.00 0.00 0.00 178.15 179.68 1oz0 h ASP 493 N -0.43 0.71 -0.30 1.72 3.32 -0.68 -1.94 116.42 118.81 1oz0 h ASP 493 Ca -0.19 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.88 1oz0 h ASP 493 Cb 1.61 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.94 1oz0 h ASP 493 CO 0.10 0.52 0.08 1.56 -1.72 0.00 0.00 179.24 179.77 1oz0 h GLN 494 N 0.83 0.19 -0.61 3.56 4.20 -1.06 -1.66 115.11 120.56 1oz0 h GLN 494 Ca 0.22 -0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.03 1oz0 h GLN 494 Cb -0.09 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.57 1oz0 h GLN 494 CO -0.05 0.13 0.20 -0.92 -0.67 0.00 0.00 178.83 177.52 1oz0 h TYR 495 N 0.20 0.33 0.00 2.96 3.20 -0.96 -2.50 116.97 120.20 1oz0 h TYR 495 Ca 0.14 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.94 1oz0 h TYR 495 Cb 0.13 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1oz0 h TYR 495 CO -0.16 0.05 -0.88 -0.39 -1.64 0.00 0.00 178.16 175.14 1oz0 h VAL 496 N 0.35 0.53 -0.02 1.81 -1.51 -1.07 -3.33 116.25 113.02 1oz0 h VAL 496 Ca 0.32 -1.85 0.00 0.00 -1.23 0.00 0.00 66.70 63.93 1oz0 h VAL 496 Cb 0.43 2.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 1oz0 h VAL 496 CO -0.35 0.30 -0.07 0.35 -1.23 0.00 0.00 177.57 176.57 1oz0 n THR 497 N -3.01 0.00 0.00 7.19 -2.24 -0.65 -4.92 114.28 110.65 1oz0 n THR 497 Ca -0.03 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1oz0 n THR 497 Cb 0.73 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1oz0 n THR 497 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oz0 n GLY 498 N 1.25 2.13 0.84 3.38 0.00 -0.95 -4.76 105.19 107.08 1oz0 n GLY 498 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1oz0 n GLY 498 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1oz0 n THR 499 N -0.63 0.13 0.00 2.61 -2.24 -1.24 -4.16 114.28 108.75 1oz0 n THR 499 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1oz0 n THR 499 Cb 0.00 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 1oz0 n THR 499 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1oz0 n ILE 500 N 0.75 0.00 0.00 2.28 2.08 -1.19 -4.89 119.36 118.39 1oz0 n ILE 500 Ca 0.00 1.05 0.00 0.00 0.56 0.00 0.00 62.75 64.36 1oz0 n ILE 500 Cb 0.08 -1.79 0.00 0.00 -0.75 0.00 0.00 39.64 37.18 1oz0 n ILE 500 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1oz0 n GLY 501 N -0.79 1.96 0.27 7.39 0.00 -1.26 -4.89 105.19 107.87 1oz0 n GLY 501 Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1oz0 n GLY 501 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1oz0 h GLU 502 N 0.00 0.92 0.00 1.61 3.07 -1.92 -3.40 114.58 114.86 1oz0 h GLU 502 Ca 0.00 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1oz0 h GLU 502 Cb 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 1oz0 h GLU 502 CO 0.00 0.87 0.00 -0.25 -1.40 0.00 0.00 179.01 178.23 1oz0 n ASP 503 N -4.37 0.00 -0.31 1.42 9.92 -1.26 -4.90 116.55 117.06 1oz0 n ASP 503 Ca 0.02 0.00 0.16 0.00 -0.53 0.00 0.00 54.79 54.45 1oz0 n ASP 503 Cb 0.25 0.00 0.35 0.00 -0.64 0.00 0.00 41.12 41.08 1oz0 n ASP 503 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1oz0 h GLU 504 N 0.00 0.27 0.00 -1.24 4.81 -2.01 0.18 114.58 116.60 1oz0 h GLU 504 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1oz0 h GLU 504 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1oz0 h GLU 504 CO 0.00 0.18 0.00 -0.25 -0.73 0.00 0.00 179.01 178.21 1oz0 n ASP 505 N -5.14 0.00 0.03 1.04 8.00 -1.26 -1.96 116.55 117.26 1oz0 n ASP 505 Ca 0.24 0.24 -0.22 0.00 0.71 0.00 0.00 54.79 55.77 1oz0 n ASP 505 Cb 0.76 -0.29 -0.14 0.00 -0.02 0.00 0.00 41.12 41.43 1oz0 n ASP 505 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1oz0 h LEU 506 N 0.00 0.49 -0.03 0.64 5.85 -0.84 -3.05 115.31 118.38 1oz0 h LEU 506 Ca 0.00 -0.94 -0.11 0.00 0.84 0.00 0.00 57.88 57.68 1oz0 h LEU 506 Cb 0.04 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 40.91 1oz0 h LEU 506 CO 0.00 1.82 -0.41 0.58 -0.34 0.00 0.00 178.44 180.09 1oz0 h VAL 507 N 0.09 1.46 -0.23 1.05 2.07 -1.50 -0.93 116.25 118.26 1oz0 h VAL 507 Ca -0.39 -1.92 -0.00 0.00 0.82 0.00 0.00 66.70 65.20 1oz0 h VAL 507 Cb 2.06 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 34.37 1oz0 h VAL 507 CO 0.13 0.55 0.13 0.50 0.02 0.00 0.00 177.57 178.89 1oz0 h LYS 508 N -0.22 0.32 -0.26 1.57 3.64 -1.68 -1.17 116.57 118.77 1oz0 h LYS 508 Ca -0.04 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1oz0 h LYS 508 Cb 1.12 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1oz0 h LYS 508 CO 0.08 0.29 0.10 2.35 -2.27 0.00 0.00 179.45 180.01 1oz0 h TRP 509 N 0.27 0.19 -0.99 1.91 7.01 -1.59 -2.68 115.95 120.07 1oz0 h TRP 509 Ca 0.08 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.11 1oz0 h TRP 509 Cb 0.06 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.02 1oz0 h TRP 509 CO -0.04 0.10 0.66 0.37 -2.79 0.00 0.00 178.44 176.74 1oz0 h GLN 510 N 0.23 1.30 -4.45 2.65 4.15 -0.94 -3.24 115.11 114.81 1oz0 h GLN 510 Ca 0.11 -0.08 -0.66 0.00 0.77 0.00 0.00 58.65 58.79 1oz0 h GLN 510 Cb 0.06 -0.29 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 1oz0 h GLN 510 CO -0.10 0.86 2.64 0.00 -1.93 0.00 0.00 178.83 180.30 1oz0 n ALA 511 N -2.37 4.37 -0.24 3.38 0.00 -0.46 -2.32 120.51 122.87 1oz0 n ALA 511 Ca 0.12 -3.64 0.00 0.00 0.00 0.00 0.00 53.44 49.92 1oz0 n ALA 511 Cb 0.02 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 15.89 1oz0 n ALA 511 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1oz0 n MET 512 N 6.78 0.00 -4.13 0.00 0.00 -1.22 -4.93 117.12 113.61 1oz0 n MET 512 Ca 0.50 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.97 1oz0 n MET 512 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.57 1oz0 n MET 512 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1oz0 s PHE 513 N 0.00 3.06 -0.07 1.12 0.40 -0.98 -0.73 117.98 120.78 1oz0 s PHE 513 Ca 0.00 -0.09 -0.02 0.00 -0.60 0.00 0.00 56.93 56.21 1oz0 s PHE 513 Cb 0.00 -1.41 -0.01 0.00 0.51 0.00 0.00 43.02 42.11 1oz0 s PHE 513 CO 0.00 0.53 -0.05 1.49 0.70 0.00 0.00 175.22 177.89 1oz0 h GLU 514 N 1.94 0.00 -4.23 0.44 4.57 -0.54 -3.42 114.58 113.35 1oz0 h GLU 514 Ca -0.48 0.00 -0.74 0.00 -1.18 0.00 0.00 59.36 56.97 1oz0 h GLU 514 Cb 1.22 0.00 -0.28 0.00 -0.16 0.00 0.00 28.75 29.54 1oz0 h GLU 514 CO 0.61 0.00 -0.33 -2.00 -1.18 0.00 0.00 179.01 176.11 1oz0 s GLU 515 N -1.49 2.65 0.32 1.92 2.12 -1.24 -5.04 118.70 117.93 1oz0 s GLU 515 Ca -0.04 -1.75 -0.29 0.00 0.36 0.00 0.00 54.97 53.25 1oz0 s GLU 515 Cb 0.01 -4.05 -0.12 0.00 0.26 0.00 0.00 34.13 30.22 1oz0 s GLU 515 CO 0.06 -1.24 1.40 0.28 -0.54 0.00 0.00 175.26 175.22 1oz0 n VAL 516 N 5.02 1.61 -4.03 3.70 0.31 -1.26 -4.52 118.33 119.17 1oz0 n VAL 516 Ca -0.10 -0.40 -0.33 0.00 -0.01 0.00 0.00 64.34 63.50 1oz0 n VAL 516 Cb 0.40 -1.69 -0.06 0.00 -0.91 0.00 0.00 33.84 31.58 1oz0 n VAL 516 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1oz0 s PRO 517 N -1.38 3.16 0.15 5.55 0.04 -1.26 -5.11 135.00 136.16 1oz0 s PRO 517 Ca 0.59 -0.47 -0.08 0.00 0.04 0.00 0.00 61.00 61.08 1oz0 s PRO 517 Cb -0.56 -2.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.01 1oz0 s PRO 517 CO 0.58 0.64 0.45 0.00 0.04 0.00 0.00 177.00 178.71 1oz0 s ALA 518 N -1.27 3.69 1.17 8.56 0.00 -1.26 -5.07 121.76 127.58 1oz0 s ALA 518 Ca 0.26 -0.39 -0.15 0.00 0.00 0.00 0.00 51.96 51.67 1oz0 s ALA 518 Cb -0.12 -2.29 0.23 0.00 0.00 0.00 0.00 23.12 20.93 1oz0 s ALA 518 CO 0.17 0.58 0.62 1.04 0.00 0.00 0.00 175.76 178.17 1oz0 n GLN 519 N 0.27 -2.23 -3.47 0.00 1.13 -1.26 -4.99 117.38 106.83 1oz0 n GLN 519 Ca -0.03 -0.63 -0.38 0.00 -1.94 0.00 0.00 57.00 54.03 1oz0 n GLN 519 Cb 0.52 -1.98 -0.06 0.00 0.11 0.00 0.00 30.24 28.83 1oz0 n GLN 519 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1oz0 s LEU 520 N -4.95 4.36 0.49 1.08 1.43 -1.26 -5.07 118.68 114.75 1oz0 s LEU 520 Ca 0.64 0.79 -0.18 0.00 -1.03 0.00 0.00 54.13 54.35 1oz0 s LEU 520 Cb -0.20 -2.54 -0.09 0.00 0.03 0.00 0.00 46.19 43.39 1oz0 s LEU 520 CO 0.66 0.18 0.98 0.42 0.23 0.00 0.00 176.35 178.82 1oz0 s THR 521 N -0.20 4.41 0.65 5.49 -4.23 -1.26 -4.84 115.64 115.65 1oz0 s THR 521 Ca 0.22 1.28 0.36 0.00 -1.18 0.00 0.00 61.69 62.37 1oz0 s THR 521 Cb -0.15 -3.65 0.38 0.00 1.34 0.00 0.00 72.50 70.42 1oz0 s THR 521 CO 0.10 -0.54 2.17 -0.33 -0.54 0.00 0.00 174.62 175.48 1oz0 h GLU 522 N 1.24 0.00 -0.02 3.99 4.39 -1.99 0.82 114.58 123.00 1oz0 h GLU 522 Ca -0.48 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 1oz0 h GLU 522 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1oz0 h GLU 522 CO 0.61 0.00 -0.09 0.00 -1.16 0.00 0.00 179.01 178.37 1oz0 h ALA 523 N 1.74 0.04 0.10 3.43 0.00 -2.00 -2.95 119.26 119.63 1oz0 h ALA 523 Ca 0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1oz0 h ALA 523 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1oz0 h ALA 523 CO -0.00 -0.07 -0.05 0.93 0.00 0.00 0.00 179.25 180.06 1oz0 h GLU 524 N -0.50 -0.13 -0.90 0.00 5.08 -1.25 -0.66 114.58 116.21 1oz0 h GLU 524 Ca -0.00 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1oz0 h GLU 524 Cb 0.73 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.94 1oz0 h GLU 524 CO 0.02 -0.07 0.55 0.87 -1.00 0.00 0.00 179.01 179.37 1oz0 h LYS 525 N -0.15 0.91 -0.52 2.33 1.57 -1.34 0.10 116.57 119.47 1oz0 h LYS 525 Ca -0.01 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 1oz0 h LYS 525 Cb 0.12 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1oz0 h LYS 525 CO 0.02 0.60 -0.15 0.87 -0.57 0.00 0.00 179.45 180.22 1oz0 h LYS 526 N 0.93 1.00 0.03 3.15 1.57 -1.31 -0.17 116.57 121.78 1oz0 h LYS 526 Ca 0.42 -0.39 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1oz0 h LYS 526 Cb 0.32 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1oz0 h LYS 526 CO -0.22 1.07 -0.16 0.37 -0.57 0.00 0.00 179.45 179.94 1oz0 h GLN 527 N 0.88 -0.27 -0.52 3.15 5.75 0.04 -2.33 115.11 121.81 1oz0 h GLN 527 Ca 0.13 0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.53 1oz0 h GLN 527 Cb 0.72 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.31 1oz0 h GLN 527 CO 0.06 -0.18 -0.13 2.35 -2.65 0.00 0.00 178.83 178.27 1oz0 h TRP 528 N -0.28 1.12 -0.14 3.99 2.91 -0.70 -3.09 115.95 119.77 1oz0 h TRP 528 Ca 0.04 -0.24 -0.07 0.00 1.13 0.00 0.00 58.89 59.76 1oz0 h TRP 528 Cb 0.33 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 28.69 1oz0 h TRP 528 CO -0.20 1.05 -0.21 0.82 -1.03 0.00 0.00 178.44 178.87 1oz0 h ILE 529 N 0.88 1.22 0.00 2.65 2.04 -0.93 -1.10 117.51 122.26 1oz0 h ILE 529 Ca 0.13 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1oz0 h ILE 529 Cb 0.70 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1oz0 h ILE 529 CO 0.05 0.31 0.00 0.00 0.00 0.00 0.00 178.15 178.51 1oz0 h ALA 530 N 1.57 1.00 0.00 1.87 0.00 -1.33 -2.08 119.26 120.28 1oz0 h ALA 530 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1oz0 h ALA 530 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1oz0 h ALA 530 CO 0.03 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.91 1oz0 n LYS 531 N -2.58 0.18 -2.86 0.00 5.02 -0.42 -4.81 118.16 112.69 1oz0 n LYS 531 Ca 0.00 0.22 -0.40 0.00 -2.02 0.00 0.00 58.31 56.11 1oz0 n LYS 531 Cb 0.19 -1.74 -0.05 0.00 -0.02 0.00 0.00 35.03 33.41 1oz0 n LYS 531 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1oz0 s LEU 532 N -4.11 4.56 0.32 -0.35 2.96 -0.78 -5.05 118.68 116.22 1oz0 s LEU 532 Ca 0.10 1.72 -0.05 0.00 -0.22 0.00 0.00 54.13 55.67 1oz0 s LEU 532 Cb 0.13 -3.43 0.00 0.00 0.50 0.00 0.00 46.19 43.39 1oz0 s LEU 532 CO 0.52 0.09 0.47 0.42 -1.32 0.00 0.00 176.35 176.53 1oz0 s THR 533 N -0.65 0.00 -1.69 3.68 -4.23 -1.26 -3.99 115.64 107.50 1oz0 s THR 533 Ca 0.40 -1.55 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1oz0 s THR 533 Cb -0.23 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1oz0 s THR 533 CO 0.28 0.00 0.11 0.00 -0.54 0.00 0.00 174.62 174.47 1oz0 n ALA 534 N -0.50 -0.70 -2.12 3.99 0.00 -1.09 -4.96 120.51 115.13 1oz0 n ALA 534 Ca -0.00 0.18 -0.35 0.00 0.00 0.00 0.00 53.44 53.27 1oz0 n ALA 534 Cb 0.62 -2.45 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 1oz0 n ALA 534 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1oz0 s VAL 535 N -3.03 4.61 0.12 0.00 1.01 -0.47 -4.80 120.40 117.84 1oz0 s VAL 535 Ca 0.06 1.16 0.08 0.00 0.00 0.00 0.00 61.98 63.28 1oz0 s VAL 535 Cb -0.03 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1oz0 s VAL 535 CO 0.07 0.07 -0.11 -0.44 0.00 0.00 0.00 175.10 174.69 1oz0 s SER 536 N -1.86 4.28 -0.01 3.32 0.01 -0.52 -0.00 113.70 118.92 1oz0 s SER 536 Ca 0.47 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1oz0 s SER 536 Cb -0.14 -0.76 0.02 0.00 0.21 0.00 0.00 66.02 65.34 1oz0 s SER 536 CO 0.20 0.16 0.01 -0.22 0.41 0.00 0.00 173.24 173.80 1oz0 s LEU 537 N -2.32 1.49 -0.03 2.44 0.20 0.11 -0.35 118.68 120.22 1oz0 s LEU 537 Ca 0.21 0.00 0.07 0.00 0.69 0.00 0.00 54.13 55.11 1oz0 s LEU 537 Cb -0.11 -0.09 -0.02 0.00 -0.43 0.00 0.00 46.19 45.54 1oz0 s LEU 537 CO 0.13 -0.06 -0.24 -0.55 -0.29 0.00 0.00 176.35 175.34 1oz0 s SER 538 N 0.60 2.85 -0.05 3.68 0.15 0.17 -0.52 113.70 120.57 1oz0 s SER 538 Ca -0.05 -0.45 0.06 0.00 0.70 0.00 0.00 55.95 56.21 1oz0 s SER 538 Cb -0.08 -0.43 -0.01 0.00 -1.71 0.00 0.00 66.02 63.79 1oz0 s SER 538 CO -0.01 0.28 -0.24 -0.55 1.20 0.00 0.00 173.24 173.91 1oz0 s SER 539 N -0.46 3.13 0.08 5.45 0.15 -0.88 -0.35 113.70 120.82 1oz0 s SER 539 Ca 0.06 -0.48 0.24 0.00 0.70 0.00 0.00 55.95 56.47 1oz0 s SER 539 Cb -0.10 -0.76 0.96 0.00 -1.71 0.00 0.00 66.02 64.41 1oz0 s SER 539 CO 0.00 0.26 1.75 -0.90 1.20 0.00 0.00 173.24 175.56 1oz0 n ASP 540 N 2.82 0.26 -4.10 5.45 5.75 -0.68 -4.37 116.55 121.69 1oz0 n ASP 540 Ca -0.17 0.54 -0.10 0.00 -0.01 0.00 0.00 54.79 55.04 1oz0 n ASP 540 Cb 0.52 -0.60 -0.08 0.00 -1.03 0.00 0.00 41.12 39.92 1oz0 n ASP 540 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1oz0 s ALA 541 N -3.06 0.58 0.53 2.12 0.00 -1.26 -1.45 121.76 119.22 1oz0 s ALA 541 Ca 0.10 -1.31 -0.20 0.00 0.00 0.00 0.00 51.96 50.55 1oz0 s ALA 541 Cb 0.14 1.09 -0.06 0.00 0.00 0.00 0.00 23.12 24.29 1oz0 s ALA 541 CO 0.46 -0.63 1.16 -0.59 0.00 0.00 0.00 175.76 176.16 1oz0 s PHE 542 N -4.06 2.66 -0.13 0.00 -0.12 -1.25 -4.47 117.98 110.60 1oz0 s PHE 542 Ca 0.28 1.53 -0.29 0.00 -0.05 0.00 0.00 56.93 58.39 1oz0 s PHE 542 Cb 0.05 -3.36 -0.02 0.00 -0.63 0.00 0.00 43.02 39.06 1oz0 s PHE 542 CO 0.06 -1.70 1.24 -0.06 -0.05 0.00 0.00 175.22 174.71 1oz0 s PHE 543 N -1.67 2.95 0.14 3.49 0.08 -1.26 -4.91 117.98 116.80 1oz0 s PHE 543 Ca 0.71 1.07 0.06 0.00 0.12 0.00 0.00 56.93 58.90 1oz0 s PHE 543 Cb -0.27 -3.48 -0.11 0.00 -0.57 0.00 0.00 43.02 38.60 1oz0 s PHE 543 CO 0.30 -1.58 1.33 -1.35 -0.10 0.00 0.00 175.22 173.83 1oz0 h PRO 544 N 7.97 0.04 -4.36 0.24 0.11 -1.96 -3.44 132.00 130.60 1oz0 h PRO 544 Ca -0.29 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 65.56 1oz0 h PRO 544 Cb 1.12 0.02 -0.19 0.00 0.11 0.00 0.00 31.00 32.06 1oz0 h PRO 544 CO 0.94 0.95 -0.71 -0.06 -0.21 0.00 0.00 178.00 178.92 1oz0 s PHE 545 N -2.89 0.57 -0.79 0.65 0.08 -1.26 -4.65 117.98 109.69 1oz0 s PHE 545 Ca -0.00 -0.70 0.16 0.00 0.12 0.00 0.00 56.93 56.51 1oz0 s PHE 545 Cb 0.10 -0.36 0.69 0.00 -0.57 0.00 0.00 43.02 42.88 1oz0 s PHE 545 CO 0.82 -0.18 1.50 2.89 -0.10 0.00 0.00 175.22 180.14 1oz0 n ARG 546 N 0.93 0.07 0.19 0.44 1.85 -1.26 -2.73 116.66 116.14 1oz0 n ARG 546 Ca -0.19 0.36 0.18 0.00 -1.00 0.00 0.00 57.85 57.20 1oz0 n ARG 546 Cb 0.57 -1.64 0.80 0.00 -1.05 0.00 0.00 32.46 31.14 1oz0 n ARG 546 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 1oz0 h ASP 547 N 0.00 0.00 -0.02 2.89 2.03 -1.98 0.18 116.42 119.52 1oz0 h ASP 547 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1oz0 h ASP 547 Cb 0.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.74 1oz0 h ASP 547 CO 0.00 0.00 -0.03 0.78 -1.03 0.00 0.00 179.24 178.96 1oz0 h ASN 548 N 0.00 0.06 0.08 4.15 2.35 -1.92 -2.11 115.58 118.20 1oz0 h ASN 548 Ca 0.11 -0.58 -0.02 0.00 -0.55 0.00 0.00 56.30 55.26 1oz0 h ASN 548 Cb 0.78 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 1oz0 h ASN 548 CO -0.00 0.62 -0.10 0.58 -1.65 0.00 0.00 177.43 176.88 1oz0 h VAL 549 N -0.50 1.09 -0.02 2.81 2.07 -1.25 0.17 116.25 120.61 1oz0 h VAL 549 Ca 0.00 -0.41 -0.16 0.00 0.82 0.00 0.00 66.70 66.94 1oz0 h VAL 549 Cb 0.62 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1oz0 h VAL 549 CO 0.01 0.12 -0.72 0.44 0.02 0.00 0.00 177.57 177.43 1oz0 h ASP 550 N 0.04 0.18 0.13 0.57 3.32 -1.07 -2.25 116.42 117.33 1oz0 h ASP 550 Ca 0.01 -0.12 -0.27 0.00 0.02 0.00 0.00 57.03 56.67 1oz0 h ASP 550 Cb 0.20 -0.05 0.03 0.00 0.22 0.00 0.00 39.33 39.73 1oz0 h ASP 550 CO 0.01 0.84 -1.13 -0.09 -1.72 0.00 0.00 179.24 177.15 1oz0 h ARG 551 N 0.10 0.54 -0.48 3.56 9.65 -0.59 -3.26 114.38 123.91 1oz0 h ARG 551 Ca -0.02 -0.75 0.03 0.00 -1.10 0.00 0.00 59.98 58.13 1oz0 h ARG 551 Cb 1.28 0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 30.08 1oz0 h ARG 551 CO 0.11 1.34 0.27 0.00 2.80 0.00 0.00 179.97 184.48 1oz0 h ALA 552 N 0.24 0.61 -0.01 2.80 0.00 -0.69 -2.39 119.26 119.82 1oz0 h ALA 552 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1oz0 h ALA 552 Cb 1.84 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1oz0 h ALA 552 CO 0.22 -0.05 -0.09 -0.22 0.00 0.00 0.00 179.25 179.10 1oz0 h LYS 553 N 0.54 0.02 0.00 0.00 1.63 -1.50 -1.56 116.57 115.69 1oz0 h LYS 553 Ca 0.20 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 1oz0 h LYS 553 Cb 0.05 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1oz0 h LYS 553 CO -0.11 0.11 -0.07 0.00 -3.45 0.00 0.00 179.45 175.94 1oz0 h ARG 554 N 0.02 0.00 -0.38 1.90 3.08 -1.47 -1.49 114.38 116.04 1oz0 h ARG 554 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 1oz0 h ARG 554 Cb 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1oz0 h ARG 554 CO 0.01 0.07 0.04 1.51 -1.07 0.00 0.00 179.97 180.53 1oz0 n ILE 555 N -3.47 2.49 -1.42 2.04 0.13 -0.63 -4.71 119.36 113.79 1oz0 n ILE 555 Ca -0.02 -1.94 0.00 0.00 -1.10 0.00 0.00 62.75 59.69 1oz0 n ILE 555 Cb 0.20 -0.29 0.00 0.00 -0.84 0.00 0.00 39.64 38.71 1oz0 n ILE 555 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1oz0 n GLY 556 N -0.46 0.42 3.74 4.50 0.00 -0.56 -4.73 105.19 108.10 1oz0 n GLY 556 Ca 0.27 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 1oz0 n GLY 556 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oz0 s VAL 557 N -2.00 3.89 0.00 1.61 1.01 -0.97 -1.37 120.40 122.58 1oz0 s VAL 557 Ca 0.00 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1oz0 s VAL 557 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1oz0 s VAL 557 CO 0.00 0.32 0.00 0.00 0.00 0.00 0.00 175.10 175.42 1oz0 n GLN 558 N 2.14 1.28 -4.29 2.72 6.02 1.00 -4.59 117.38 121.66 1oz0 n GLN 558 Ca 0.02 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.76 1oz0 n GLN 558 Cb 0.46 -0.91 -0.17 0.00 1.02 0.00 0.00 30.24 30.64 1oz0 n GLN 558 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1oz0 s PHE 559 N -1.66 1.32 -0.02 1.08 0.40 -1.03 0.29 117.98 118.36 1oz0 s PHE 559 Ca 0.00 -0.53 0.04 0.00 -0.60 0.00 0.00 56.93 55.84 1oz0 s PHE 559 Cb 0.00 -1.04 -0.01 0.00 0.51 0.00 0.00 43.02 42.49 1oz0 s PHE 559 CO 0.00 -0.33 -0.13 0.42 0.70 0.00 0.00 175.22 175.88 1oz0 s ILE 560 N 1.05 1.04 -0.10 0.64 1.01 -0.26 0.08 121.20 124.66 1oz0 s ILE 560 Ca -0.08 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1oz0 s ILE 560 Cb -0.14 -0.88 0.02 0.00 0.01 0.00 0.00 42.46 41.46 1oz0 s ILE 560 CO -0.01 0.30 -0.13 0.54 0.00 0.00 0.00 174.94 175.64 1oz0 s VAL 561 N -0.15 1.35 0.02 2.92 0.11 0.32 -0.25 120.40 124.71 1oz0 s VAL 561 Ca 0.02 -0.55 -0.24 0.00 -2.93 0.00 0.00 61.98 58.28 1oz0 s VAL 561 Cb -0.07 -1.25 0.06 0.00 -1.53 0.00 0.00 36.38 33.59 1oz0 s VAL 561 CO 0.00 0.41 0.55 0.00 -3.33 0.00 0.00 175.10 172.73 1oz0 s ALA 562 N 1.02 -1.42 0.67 1.54 0.00 -0.30 -2.07 121.76 121.19 1oz0 s ALA 562 Ca -0.07 0.76 -0.14 0.00 0.00 0.00 0.00 51.96 52.52 1oz0 s ALA 562 Cb -0.15 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1oz0 s ALA 562 CO -0.01 -0.46 1.09 -1.25 0.00 0.00 0.00 175.76 175.12 1oz0 s PRO 563 N -2.09 2.83 0.65 0.00 0.04 -1.26 -1.53 135.00 133.64 1oz0 s PRO 563 Ca -0.07 1.27 -0.02 0.00 0.04 0.00 0.00 61.00 62.22 1oz0 s PRO 563 Cb -0.01 -1.96 0.13 0.00 0.04 0.00 0.00 34.50 32.70 1oz0 s PRO 563 CO 0.01 -1.21 0.89 0.45 0.04 0.00 0.00 177.00 177.18 1oz0 n SER 564 N -2.59 1.01 0.00 6.66 2.88 -0.17 -3.93 113.62 117.48 1oz0 n SER 564 Ca 0.09 -1.89 0.00 0.00 -1.33 0.00 0.00 58.87 55.74 1oz0 n SER 564 Cb 0.52 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1oz0 n SER 564 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1oz0 n GLY 565 N -1.62 1.43 3.79 0.46 0.00 -1.26 -4.71 105.19 103.28 1oz0 n GLY 565 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1oz0 n GLY 565 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1oz0 s SER 566 N -0.73 4.85 0.00 1.61 0.15 -1.26 -4.90 113.70 113.42 1oz0 s SER 566 Ca 0.00 1.66 0.27 0.00 0.70 0.00 0.00 55.95 58.58 1oz0 s SER 566 Cb 0.00 -2.45 1.07 0.00 -1.71 0.00 0.00 66.02 62.94 1oz0 s SER 566 CO 0.00 -1.79 1.75 0.00 1.20 0.00 0.00 173.24 174.40 1oz0 n ALA 567 N -3.35 2.58 -0.11 5.45 0.00 -1.26 -3.09 120.51 120.72 1oz0 n ALA 567 Ca 0.08 -0.43 0.06 0.00 0.00 0.00 0.00 53.44 53.15 1oz0 n ALA 567 Cb 0.54 -1.19 0.15 0.00 0.00 0.00 0.00 19.45 18.95 1oz0 n ALA 567 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oz0 n ALA 568 N 0.08 2.23 -0.20 0.00 0.00 -1.26 -4.68 120.51 116.68 1oz0 n ALA 568 Ca 0.19 -1.09 -0.01 0.00 0.00 0.00 0.00 53.44 52.53 1oz0 n ALA 568 Cb 0.32 -0.47 0.07 0.00 0.00 0.00 0.00 19.45 19.38 1oz0 n ALA 568 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1oz0 h ASP 569 N 2.22 -0.48 -0.13 0.00 3.32 -1.83 0.27 116.42 119.79 1oz0 h ASP 569 Ca 0.00 0.17 0.05 0.00 0.02 0.00 0.00 57.03 57.27 1oz0 h ASP 569 Cb 0.72 0.34 -0.06 0.00 0.22 0.00 0.00 39.33 40.56 1oz0 h ASP 569 CO 0.00 -0.18 -0.25 -0.08 -1.72 0.00 0.00 179.24 177.01 1oz0 h GLU 570 N 0.03 -0.31 -0.84 3.56 4.81 -1.87 0.58 114.58 120.55 1oz0 h GLU 570 Ca 0.30 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1oz0 h GLU 570 Cb 0.46 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 1oz0 h GLU 570 CO -0.59 -0.20 0.55 0.28 -0.73 0.00 0.00 179.01 178.32 1oz0 h VAL 571 N -0.32 1.19 -0.09 0.32 2.07 -1.53 0.10 116.25 117.99 1oz0 h VAL 571 Ca 0.10 -0.38 -0.16 0.00 0.82 0.00 0.00 66.70 67.08 1oz0 h VAL 571 Cb 0.47 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1oz0 h VAL 571 CO -0.32 0.20 -0.64 0.58 0.02 0.00 0.00 177.57 177.42 1oz0 h VAL 572 N 1.10 1.38 -0.30 2.57 2.07 0.84 -2.20 116.25 121.71 1oz0 h VAL 572 Ca 0.31 -2.01 -0.14 0.00 0.82 0.00 0.00 66.70 65.69 1oz0 h VAL 572 Cb -0.08 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1oz0 h VAL 572 CO -0.08 0.60 -0.36 0.40 0.02 0.00 0.00 177.57 178.15 1oz0 h ILE 573 N 0.25 1.29 -0.11 4.57 2.04 0.84 -2.88 117.51 123.51 1oz0 h ILE 573 Ca -0.01 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 1oz0 h ILE 573 Cb 1.17 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1oz0 h ILE 573 CO 0.10 0.49 0.01 -0.33 0.00 0.00 0.00 178.15 178.43 1oz0 h GLU 574 N 0.57 0.18 -0.83 2.37 4.39 -0.86 0.16 114.58 120.55 1oz0 h GLU 574 Ca 0.06 -0.05 0.17 0.00 0.34 0.00 0.00 59.36 59.88 1oz0 h GLU 574 Cb 0.89 -0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 29.41 1oz0 h GLU 574 CO 0.08 0.39 0.36 0.00 -1.16 0.00 0.00 179.01 178.68 1oz0 h ALA 575 N 0.78 1.25 -0.22 3.43 0.00 -1.37 0.12 119.26 123.25 1oz0 h ALA 575 Ca 0.03 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1oz0 h ALA 575 Cb 0.31 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1oz0 h ALA 575 CO 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 179.25 178.93 1oz0 h ASN 577 N 0.16 0.78 0.04 0.00 2.35 0.12 -0.76 115.58 118.27 1oz0 h ASN 577 Ca 0.05 0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 1oz0 h ASN 577 Cb 0.57 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1oz0 h ASN 577 CO 0.03 0.37 -0.47 1.05 -1.65 0.00 0.00 177.43 176.76 1oz0 h GLU 578 N 0.81 0.09 0.00 0.81 4.11 -0.97 -3.28 114.58 116.15 1oz0 h GLU 578 Ca 0.50 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.78 1oz0 h GLU 578 Cb 0.71 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1oz0 h GLU 578 CO -0.27 1.07 0.00 1.28 0.07 0.00 0.00 179.01 181.16 1oz0 n LEU 579 N -4.42 0.00 -1.51 3.06 4.77 -0.28 -4.82 117.00 113.80 1oz0 n LEU 579 Ca -0.15 0.31 -0.08 0.00 -0.03 0.00 0.00 56.01 56.07 1oz0 n LEU 579 Cb 0.62 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1oz0 n LEU 579 CO 0.36 -0.26 0.08 0.61 -1.33 0.00 0.00 177.39 176.85 1oz0 n GLY 580 N -0.87 0.46 3.51 -0.72 0.00 -0.55 -5.05 105.19 101.97 1oz0 n GLY 580 Ca 0.02 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1oz0 n GLY 580 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oz0 s ILE 581 N -3.10 3.48 -0.27 -0.61 1.01 -0.40 -4.91 121.20 116.40 1oz0 s ILE 581 Ca 0.18 -0.54 -0.23 0.00 0.00 0.00 0.00 60.65 60.05 1oz0 s ILE 581 Cb -0.08 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 1oz0 s ILE 581 CO 0.23 0.57 0.75 -0.89 0.00 0.00 0.00 174.94 175.61 1oz0 s THR 582 N -0.43 4.87 -0.09 2.92 2.01 0.15 -4.39 115.64 120.68 1oz0 s THR 582 Ca 0.06 1.30 -0.01 0.00 0.31 0.00 0.00 61.69 63.35 1oz0 s THR 582 Cb -0.12 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 1oz0 s THR 582 CO 0.02 -0.11 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.57 1oz0 s LEU 583 N 2.78 3.25 -0.14 4.42 2.96 -1.26 -1.11 118.68 129.58 1oz0 s LEU 583 Ca 0.31 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1oz0 s LEU 583 Cb -0.15 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.83 1oz0 s LEU 583 CO 0.09 0.32 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.65 1oz0 s ILE 584 N -0.55 1.68 -0.01 6.68 1.01 0.66 -1.05 121.20 129.61 1oz0 s ILE 584 Ca 0.08 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 1oz0 s ILE 584 Cb -0.12 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1oz0 s ILE 584 CO 0.02 0.48 0.15 -1.00 0.00 0.00 0.00 174.94 174.59 1oz0 s HIS 585 N 1.19 3.47 0.32 3.97 3.76 -1.16 -1.15 115.29 125.69 1oz0 s HIS 585 Ca -0.01 0.31 0.04 0.00 -0.15 0.00 0.00 55.06 55.26 1oz0 s HIS 585 Cb -0.14 -1.80 -0.03 0.00 1.11 0.00 0.00 32.58 31.72 1oz0 s HIS 585 CO -0.06 0.62 0.18 0.95 -0.85 0.00 0.00 174.74 175.58 1oz0 s THR 586 N -1.28 0.27 -0.38 1.30 -4.23 -0.58 -4.69 115.64 106.05 1oz0 s THR 586 Ca 0.26 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.82 1oz0 s THR 586 Cb -0.12 -2.48 0.45 0.00 1.34 0.00 0.00 72.50 71.69 1oz0 s THR 586 CO 0.17 0.00 1.33 0.59 -0.54 0.00 0.00 174.62 176.16 1oz0 n ASN 587 N -1.13 5.38 -3.80 3.99 3.02 -1.26 -1.00 115.26 120.46 1oz0 n ASN 587 Ca 0.02 -3.75 -0.30 0.00 -0.03 0.00 0.00 54.58 50.51 1oz0 n ASN 587 Cb 0.64 -0.47 -0.13 0.00 -0.61 0.00 0.00 39.78 39.21 1oz0 n ASN 587 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1oz0 s LEU 588 N -3.64 3.29 0.38 3.41 2.96 -1.26 -5.07 118.68 118.75 1oz0 s LEU 588 Ca 0.53 -2.77 -0.26 0.00 -0.22 0.00 0.00 54.13 51.40 1oz0 s LEU 588 Cb 0.42 -1.26 -0.09 0.00 0.50 0.00 0.00 46.19 45.77 1oz0 s LEU 588 CO -0.01 -0.25 1.20 -0.13 -1.32 0.00 0.00 176.35 175.84 1oz0 s ARG 589 N 0.11 4.13 -0.16 1.98 1.81 -1.26 -4.64 118.95 120.92 1oz0 s ARG 589 Ca 0.17 1.93 0.14 0.00 -1.72 0.00 0.00 55.73 56.25 1oz0 s ARG 589 Cb -0.25 -2.79 0.37 0.00 -0.45 0.00 0.00 34.95 31.84 1oz0 s ARG 589 CO 0.00 -0.28 1.19 1.28 -0.68 0.00 0.00 175.30 176.81 1oz0 n LEU 590 N 0.28 2.31 -4.63 2.53 4.77 -0.53 -5.07 117.00 116.67 1oz0 n LEU 590 Ca 0.03 -3.37 -0.43 0.00 -0.03 0.00 0.00 56.01 52.20 1oz0 n LEU 590 Cb 0.45 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1oz0 n LEU 590 CO 0.53 1.10 0.68 0.49 -1.33 0.00 0.00 177.39 178.86 1oz0 n PHE 591 N -0.95 1.60 -3.70 -1.77 3.72 -1.26 -4.58 117.46 110.52 1oz0 n PHE 591 Ca 0.16 0.64 -0.16 0.00 -0.05 0.00 0.00 57.45 58.03 1oz0 n PHE 591 Cb 0.73 -2.30 -0.16 0.00 -0.94 0.00 0.00 39.48 36.81 1oz0 n PHE 591 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1oz0 s HIS 592 N -1.10 -0.09 0.00 1.38 5.65 -1.26 -5.01 115.29 114.86 1oz0 s HIS 592 Ca 0.58 0.43 0.00 0.00 0.25 0.00 0.00 55.06 56.32 1oz0 s HIS 592 Cb -0.64 -0.26 0.00 0.00 -1.18 0.00 0.00 32.58 30.50 1oz0 s HIS 592 CO 0.60 -0.20 0.00 0.72 -0.65 0.00 0.00 174.74 175.21