#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 4.73 0.34 2.89 0.74 -1.26 -5.03 119.66 122.06 1oz0 s GLN 5 Ca 0.00 1.43 0.01 0.00 0.05 0.00 0.00 55.36 56.85 1oz0 s GLN 5 Cb 0.00 -3.07 -0.03 0.00 1.10 0.00 0.00 33.01 31.01 1oz0 s GLN 5 CO 0.00 0.41 0.53 -0.65 -0.55 0.00 0.00 175.29 175.03 1oz0 s GLN 6 N -1.57 3.47 0.37 1.67 -0.21 -1.26 -4.54 119.66 117.59 1oz0 s GLN 6 Ca 0.45 -0.38 0.07 0.00 0.02 0.00 0.00 55.36 55.52 1oz0 s GLN 6 Cb -0.23 -2.69 -0.07 0.00 1.00 0.00 0.00 33.01 31.02 1oz0 s GLN 6 CO 0.29 0.17 -0.02 -0.51 -2.12 0.00 0.00 175.29 173.10 1oz0 s LEU 7 N -4.28 2.72 -0.16 2.90 1.43 0.55 -0.53 118.68 121.31 1oz0 s LEU 7 Ca 0.39 -1.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.19 1oz0 s LEU 7 Cb -0.10 -0.85 0.04 0.00 0.03 0.00 0.00 46.19 45.31 1oz0 s LEU 7 CO 0.35 -0.38 -0.05 0.00 0.23 0.00 0.00 176.35 176.51 1oz0 s ALA 8 N -2.77 1.39 -0.15 4.21 0.00 0.21 0.22 121.76 124.86 1oz0 s ALA 8 Ca 0.34 -0.75 -0.24 0.00 0.00 0.00 0.00 51.96 51.31 1oz0 s ALA 8 Cb 0.07 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1oz0 s ALA 8 CO 0.17 -0.75 0.76 -1.17 0.00 0.00 0.00 175.76 174.76 1oz0 s LEU 9 N 1.68 4.20 -0.13 0.00 2.96 0.36 -2.12 118.68 125.63 1oz0 s LEU 9 Ca 0.01 1.09 0.01 0.00 -0.22 0.00 0.00 54.13 55.03 1oz0 s LEU 9 Cb -0.15 -3.12 0.02 0.00 0.50 0.00 0.00 46.19 43.44 1oz0 s LEU 9 CO -0.08 -0.31 -0.15 -0.76 -1.32 0.00 0.00 176.35 173.74 1oz0 s LEU 10 N 1.81 1.70 -0.29 -0.68 1.02 0.33 0.24 118.68 122.82 1oz0 s LEU 10 Ca 0.36 -0.46 0.03 0.00 0.02 0.00 0.00 54.13 54.08 1oz0 s LEU 10 Cb -0.17 -1.13 0.18 0.00 0.02 0.00 0.00 46.19 45.09 1oz0 s LEU 10 CO 0.13 -0.02 0.50 -0.55 0.02 0.00 0.00 176.35 176.43 1oz0 s SER 11 N 1.24 -0.63 0.24 2.29 0.15 -0.30 -4.22 113.70 112.46 1oz0 s SER 11 Ca -0.01 0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.75 1oz0 s SER 11 Cb -0.14 1.60 -0.05 0.00 -1.71 0.00 0.00 66.02 65.72 1oz0 s SER 11 CO -0.06 -0.32 -0.02 0.68 1.20 0.00 0.00 173.24 174.73 1oz0 s VAL 12 N 2.69 1.16 -0.92 4.45 -7.23 -1.26 -3.61 120.40 115.68 1oz0 s VAL 12 Ca 0.12 -2.05 0.13 0.00 -1.81 0.00 0.00 61.98 58.37 1oz0 s VAL 12 Cb -0.12 -2.35 -0.07 0.00 0.56 0.00 0.00 36.38 34.39 1oz0 s VAL 12 CO -0.26 -0.33 0.65 -1.20 -0.31 0.00 0.00 175.10 173.66 1oz0 n SER 13 N -0.45 1.02 -4.01 4.85 7.64 -1.14 -4.68 113.62 116.85 1oz0 n SER 13 Ca -0.05 -1.01 -0.31 0.00 1.01 0.00 0.00 58.87 58.50 1oz0 n SER 13 Cb 0.64 0.74 -0.15 0.00 -1.01 0.00 0.00 64.21 64.43 1oz0 n SER 13 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1oz0 s GLU 14 N -1.96 1.63 0.00 1.43 2.56 -1.26 -4.99 118.70 116.11 1oz0 s GLU 14 Ca 0.08 -1.63 0.31 0.00 0.00 0.00 0.00 54.97 53.73 1oz0 s GLU 14 Cb 0.10 -3.00 1.82 0.00 2.00 0.00 0.00 34.13 35.05 1oz0 s GLU 14 CO 0.44 -0.83 2.18 1.63 -0.56 0.00 0.00 175.26 178.12 1oz0 n LYS 15 N 4.36 0.89 -1.68 4.30 4.01 -1.26 -4.83 118.16 123.96 1oz0 n LYS 15 Ca -0.02 0.00 -0.46 0.00 -0.51 0.00 0.00 58.31 57.32 1oz0 n LYS 15 Cb 0.42 -1.50 -0.04 0.00 -0.51 0.00 0.00 35.03 33.40 1oz0 n LYS 15 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1oz0 n ALA 16 N -1.05 1.39 -0.25 7.82 0.00 -1.26 -1.46 120.51 125.70 1oz0 n ALA 16 Ca 0.22 0.35 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1oz0 n ALA 16 Cb 0.13 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.11 1oz0 n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oz0 n GLY 17 N 3.99 1.46 0.21 0.00 0.00 -1.26 -4.85 105.19 104.73 1oz0 n GLY 17 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.59 -0.87 0.99 5.85 -1.57 -1.76 115.31 117.36 1oz0 h LEU 18 Ca 0.00 0.05 0.14 0.00 0.84 0.00 0.00 57.88 58.91 1oz0 h LEU 18 Cb 0.00 0.20 -0.14 0.00 0.37 0.00 0.00 40.66 41.09 1oz0 h LEU 18 CO 0.00 -0.27 -0.32 0.52 -0.34 0.00 0.00 178.44 178.03 1oz0 n VAL 19 N -3.62 -0.45 0.27 1.05 0.31 -1.26 0.12 118.33 114.75 1oz0 n VAL 19 Ca -0.05 2.02 -0.16 0.00 -0.01 0.00 0.00 64.34 66.14 1oz0 n VAL 19 Cb 0.19 -2.69 -0.08 0.00 -0.91 0.00 0.00 33.84 30.35 1oz0 n VAL 19 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1oz0 h GLU 20 N 0.00 -0.72 -0.78 5.55 3.07 -1.93 -2.59 114.58 117.18 1oz0 h GLU 20 Ca 0.31 0.05 0.09 0.00 -0.50 0.00 0.00 59.36 59.31 1oz0 h GLU 20 Cb 0.53 0.16 -0.07 0.00 -0.84 0.00 0.00 28.75 28.53 1oz0 h GLU 20 CO -0.86 -0.48 0.43 0.35 -1.40 0.00 0.00 179.01 177.05 1oz0 h PHE 21 N -0.75 0.78 -0.66 4.33 3.57 0.84 -1.65 116.94 123.41 1oz0 h PHE 21 Ca -0.05 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1oz0 h PHE 21 Cb 0.63 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 1oz0 h PHE 21 CO -0.13 0.31 0.38 0.00 -2.23 0.00 0.00 178.31 176.64 1oz0 h ALA 22 N 1.44 0.89 0.50 2.41 0.00 0.11 -2.03 119.26 122.57 1oz0 h ALA 22 Ca 0.38 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1oz0 h ALA 22 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1oz0 h ALA 22 CO -0.25 0.06 -0.34 0.00 0.00 0.00 0.00 179.25 178.73 1oz0 h ARG 23 N 0.70 -0.77 -0.89 0.00 3.08 -0.92 -1.87 114.38 113.71 1oz0 h ARG 23 Ca 0.29 0.05 0.24 0.00 0.07 0.00 0.00 59.98 60.63 1oz0 h ARG 23 Cb 0.16 0.17 -0.14 0.00 0.08 0.00 0.00 29.97 30.25 1oz0 h ARG 23 CO -0.17 -0.51 0.32 0.77 -1.07 0.00 0.00 179.97 179.30 1oz0 h SER 24 N -0.80 0.16 0.22 7.04 0.02 -1.27 0.19 113.55 119.11 1oz0 h SER 24 Ca -0.07 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1oz0 h SER 24 Cb 0.65 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1oz0 h SER 24 CO 0.05 -0.10 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.46 1oz0 h LEU 25 N 0.28 -0.25 -0.40 5.07 3.38 -1.23 -2.98 115.31 119.19 1oz0 h LEU 25 Ca 0.57 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.53 1oz0 h LEU 25 Cb 1.14 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 1oz0 h LEU 25 CO -0.60 -0.08 0.02 -1.13 0.09 0.00 0.00 178.44 176.73 1oz0 h ASN 26 N -0.40 -0.12 0.00 -0.43 -0.73 -0.17 -0.57 115.58 113.16 1oz0 h ASN 26 Ca -0.03 0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1oz0 h ASN 26 Cb 0.31 0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.04 1oz0 h ASN 26 CO 0.05 -0.02 0.00 0.00 -0.37 0.00 0.00 177.43 177.09 1oz0 n ALA 27 N -2.52 1.13 -0.83 1.57 0.00 0.49 -0.19 120.51 120.16 1oz0 n ALA 27 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.54 1oz0 n ALA 27 Cb 0.20 -0.75 0.11 0.00 0.00 0.00 0.00 19.45 19.01 1oz0 n ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1oz0 n LEU 28 N -0.73 2.33 0.00 0.00 4.77 -0.22 -4.96 117.00 118.18 1oz0 n LEU 28 Ca 0.00 -2.84 0.00 0.00 -0.03 0.00 0.00 56.01 53.14 1oz0 n LEU 28 Cb 0.00 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1oz0 n LEU 28 CO 0.00 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1oz0 n GLY 29 N -1.18 0.55 3.54 -0.72 0.00 0.73 -5.00 105.19 103.11 1oz0 n GLY 29 Ca 0.13 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 3.58 0.16 0.99 1.43 -1.18 -4.08 118.68 119.59 1oz0 s LEU 30 Ca 0.00 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.74 1oz0 s LEU 30 Cb 0.00 -1.92 -0.07 0.00 0.03 0.00 0.00 46.19 44.23 1oz0 s LEU 30 CO 0.00 0.10 1.14 -0.83 0.23 0.00 0.00 176.35 176.99 1oz0 s GLY 31 N 0.83 2.74 -0.23 -3.19 0.00 0.31 -4.12 107.32 103.66 1oz0 s GLY 31 Ca 0.03 0.85 -0.10 0.00 0.00 0.00 0.00 44.72 45.50 1oz0 s GLY 31 CO 0.02 1.76 0.14 1.08 0.00 0.00 0.00 173.10 176.11 1oz0 s LEU 32 N -0.13 4.08 0.04 0.66 1.43 -1.26 0.66 118.68 124.17 1oz0 s LEU 32 Ca 0.52 0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.82 1oz0 s LEU 32 Cb -0.30 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1oz0 s LEU 32 CO 0.35 0.10 -0.24 -0.63 0.23 0.00 0.00 176.35 176.15 1oz0 s ILE 33 N 0.86 1.95 0.07 -0.59 1.09 -0.90 -2.13 121.20 121.55 1oz0 s ILE 33 Ca 0.07 -1.29 -0.04 0.00 -1.10 0.00 0.00 60.65 58.29 1oz0 s ILE 33 Cb -0.13 -1.67 0.02 0.00 -1.06 0.00 0.00 42.46 39.62 1oz0 s ILE 33 CO 0.03 0.32 0.22 0.00 -0.10 0.00 0.00 174.94 175.41 1oz0 n ALA 34 N 1.86 -0.54 -3.27 9.38 0.00 -1.02 -0.51 120.51 126.41 1oz0 n ALA 34 Ca -0.17 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 52.97 1oz0 n ALA 34 Cb 0.52 0.18 -0.01 0.00 0.00 0.00 0.00 19.45 20.15 1oz0 n ALA 34 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1oz0 n SER 35 N -0.92 -0.43 0.00 0.00 3.41 -1.26 0.22 113.62 114.64 1oz0 n SER 35 Ca -0.01 -1.51 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 1oz0 n SER 35 Cb 0.14 0.77 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 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 -0.16 0.00 0.03 5.00 0.00 -1.26 -1.42 105.19 107.38 1oz0 n GLY 36 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1oz0 n GLY 36 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1oz0 h GLY 37 N 0.00 -1.38 -0.41 -0.02 0.00 -1.97 -2.57 103.07 96.72 1oz0 h GLY 37 Ca 0.00 0.60 0.04 0.00 0.00 0.00 0.00 47.33 47.97 1oz0 h GLY 37 CO 0.00 -0.52 -0.24 2.41 0.00 0.00 0.00 176.54 178.19 1oz0 n THR 38 N -2.66 -0.28 -0.24 4.70 -1.04 -1.10 0.13 114.28 113.78 1oz0 n THR 38 Ca -0.00 1.24 -0.05 0.00 -2.04 0.00 0.00 64.05 63.20 1oz0 n THR 38 Cb 0.02 -1.56 0.06 0.00 -1.82 0.00 0.00 70.33 67.03 1oz0 n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oz0 h ALA 39 N 0.04 0.87 0.00 2.41 0.00 -1.28 -0.61 119.26 120.69 1oz0 h ALA 39 Ca 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1oz0 h ALA 39 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1oz0 h ALA 39 CO -0.39 0.25 -0.24 1.15 0.00 0.00 0.00 179.25 180.03 1oz0 h THR 40 N 0.89 0.73 0.00 0.00 2.02 0.30 -2.04 112.91 114.81 1oz0 h THR 40 Ca 0.26 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 1oz0 h THR 40 Cb -0.06 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1oz0 h THR 40 CO -0.07 0.23 -0.05 0.00 0.37 0.00 0.00 175.52 176.00 1oz0 h ALA 41 N 1.76 0.00 -0.65 6.16 0.00 0.18 -3.01 119.26 123.70 1oz0 h ALA 41 Ca -0.00 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.52 1oz0 h ALA 41 Cb 0.61 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1oz0 h ALA 41 CO 0.03 -0.05 0.39 -0.07 0.00 0.00 0.00 179.25 179.55 1oz0 h LEU 42 N -0.77 0.62 0.06 0.00 3.38 -1.03 -2.60 115.31 114.98 1oz0 h LEU 42 Ca -0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1oz0 h LEU 42 Cb 0.87 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1oz0 h LEU 42 CO 0.01 0.42 -0.03 0.03 0.09 0.00 0.00 178.44 178.96 1oz0 h ARG 43 N 0.75 -0.08 -0.84 1.13 3.08 -1.47 -2.35 114.38 114.60 1oz0 h ARG 43 Ca 0.27 0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.57 1oz0 h ARG 43 Cb 0.07 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1oz0 h ARG 43 CO -0.13 0.01 0.62 -0.44 -1.07 0.00 0.00 179.97 178.96 1oz0 h ASP 44 N -0.16 0.00 0.22 7.04 5.19 -1.35 1.61 116.42 128.96 1oz0 h ASP 44 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1oz0 h ASP 44 Cb 0.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1oz0 h ASP 44 CO 0.01 0.00 -0.17 0.00 -3.12 0.00 0.00 179.24 175.97 1oz0 n ALA 45 N -2.69 2.89 -0.68 3.45 0.00 -0.93 -4.95 120.51 117.61 1oz0 n ALA 45 Ca 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1oz0 n ALA 45 Cb 0.92 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 1.29 0.08 3.63 0.00 0.00 0.55 -5.09 105.19 105.65 1oz0 n GLY 46 Ca 0.14 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.47 -0.90 -0.10 0.99 1.43 -1.02 -4.92 118.68 113.69 1oz0 s LEU 47 Ca 0.00 1.50 -0.29 0.00 -1.03 0.00 0.00 54.13 54.31 1oz0 s LEU 47 Cb 0.00 2.39 -0.05 0.00 0.03 0.00 0.00 46.19 48.56 1oz0 s LEU 47 CO 0.00 -0.24 1.63 -2.84 0.23 0.00 0.00 176.35 175.13 1oz0 s PRO 48 N 1.43 4.08 0.03 1.29 0.02 -1.26 -3.81 135.00 136.77 1oz0 s PRO 48 Ca -0.08 2.03 0.04 0.00 0.02 0.00 0.00 61.00 63.01 1oz0 s PRO 48 Cb -0.05 -3.99 -0.02 0.00 0.02 0.00 0.00 34.50 30.46 1oz0 s PRO 48 CO -0.16 -0.96 -0.12 0.08 -0.33 0.00 0.00 177.00 175.50 1oz0 s VAL 49 N 4.36 0.93 -0.16 3.83 1.01 -1.26 -4.63 120.40 124.48 1oz0 s VAL 49 Ca 0.72 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1oz0 s VAL 49 Cb -0.31 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 1oz0 s VAL 49 CO 0.28 -0.04 -0.10 -0.60 0.00 0.00 0.00 175.10 174.64 1oz0 s ARG 50 N -1.08 3.40 0.60 2.72 3.52 -0.90 -5.04 118.95 122.17 1oz0 s ARG 50 Ca -0.00 -0.65 -0.18 0.00 -0.13 0.00 0.00 55.73 54.76 1oz0 s ARG 50 Cb -0.07 -2.77 -0.03 0.00 -1.56 0.00 0.00 34.95 30.51 1oz0 s ARG 50 CO 0.01 0.08 1.16 -0.51 -0.81 0.00 0.00 175.30 175.22 1oz0 s ASP 51 N 0.72 5.29 0.10 -2.12 1.01 -1.26 -2.44 116.67 117.97 1oz0 s ASP 51 Ca -0.05 2.22 -0.26 0.00 0.71 0.00 0.00 52.55 55.17 1oz0 s ASP 51 Cb -0.15 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.09 1oz0 s ASP 51 CO 0.02 -1.51 1.67 0.58 0.21 0.00 0.00 175.17 176.13 1oz0 h VAL 52 N 0.72 0.59 -1.02 -1.27 2.07 -0.61 -2.09 116.25 114.64 1oz0 h VAL 52 Ca -0.49 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.28 1oz0 h VAL 52 Cb 1.27 0.59 -0.11 0.00 -1.52 0.00 0.00 31.29 31.52 1oz0 h VAL 52 CO 0.55 0.00 0.62 0.77 0.02 0.00 0.00 177.57 179.53 1oz0 h SER 53 N -0.37 0.60 -0.05 0.57 4.64 -1.85 0.12 113.55 117.21 1oz0 h SER 53 Ca 0.02 0.12 0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1oz0 h SER 53 Cb 0.37 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1oz0 h SER 53 CO -0.08 0.10 0.04 -0.78 -0.87 0.00 0.00 176.83 175.24 1oz0 h ASP 54 N 0.52 0.00 0.65 4.97 3.58 -1.67 1.77 116.42 126.24 1oz0 h ASP 54 Ca 0.63 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.08 1oz0 h ASP 54 Cb 1.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.37 1oz0 h ASP 54 CO -0.42 0.00 -1.02 -0.11 -2.88 0.00 0.00 179.24 174.82 1oz0 n LEU 55 N -4.36 0.65 -0.02 2.28 -0.00 0.40 -4.19 117.00 111.76 1oz0 n LEU 55 Ca -0.02 0.14 0.03 0.00 -0.00 0.00 0.00 56.01 56.15 1oz0 n LEU 55 Cb 0.14 -0.10 -0.08 0.00 -0.00 0.00 0.00 43.42 43.39 1oz0 n LEU 55 CO 0.33 -0.05 -0.68 0.35 -0.00 0.00 0.00 177.39 177.34 1oz0 n THR 56 N -2.22 0.18 -0.53 1.96 -2.24 -0.89 -4.91 114.28 105.62 1oz0 n THR 56 Ca 0.01 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1oz0 n THR 56 Cb 0.48 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 2.03 1.63 3.76 3.38 0.00 0.60 -4.98 105.19 111.61 1oz0 n GLY 57 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.25 3.47 0.57 1.61 5.36 -1.19 -4.98 117.98 119.56 1oz0 s PHE 58 Ca 0.00 0.46 -0.16 0.00 -0.96 0.00 0.00 56.93 56.27 1oz0 s PHE 58 Cb 0.00 -2.18 -0.05 0.00 -0.34 0.00 0.00 43.02 40.45 1oz0 s PHE 58 CO 0.00 0.37 1.04 -1.25 -1.46 0.00 0.00 175.22 173.91 1oz0 s PRO 59 N 0.10 3.51 0.45 10.12 0.04 -1.26 -4.30 135.00 143.66 1oz0 s PRO 59 Ca 0.12 1.14 -0.23 0.00 0.04 0.00 0.00 61.00 62.07 1oz0 s PRO 59 Cb -0.12 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1oz0 s PRO 59 CO 0.01 -0.65 1.17 -1.21 0.04 0.00 0.00 177.00 176.37 1oz0 s GLU 60 N -4.04 3.79 0.33 4.56 2.02 -1.26 -4.88 118.70 119.22 1oz0 s GLU 60 Ca 0.62 1.80 0.04 0.00 0.02 0.00 0.00 54.97 57.45 1oz0 s GLU 60 Cb -0.14 -2.45 -0.06 0.00 0.10 0.00 0.00 34.13 31.58 1oz0 s GLU 60 CO 0.35 -0.53 0.07 -1.64 0.02 0.00 0.00 175.26 173.52 1oz0 s MET 61 N -2.64 1.68 -1.50 1.61 -1.94 -1.26 -4.91 119.30 110.34 1oz0 s MET 61 Ca 0.63 -1.95 -0.03 0.00 -1.71 0.00 0.00 55.69 52.63 1oz0 s MET 61 Cb -0.29 -0.83 0.00 0.00 2.01 0.00 0.00 34.83 35.73 1oz0 s MET 61 CO 0.36 -0.23 0.05 1.28 -0.01 0.00 0.00 175.02 176.47 1oz0 n LEU 62 N -0.71 -0.88 -3.12 -0.03 4.77 -1.26 -2.77 117.00 113.00 1oz0 n LEU 62 Ca -0.03 -1.26 -0.03 0.00 -0.03 0.00 0.00 56.01 54.66 1oz0 n LEU 62 Cb 0.66 -1.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.20 1oz0 n LEU 62 CO 0.41 0.49 0.28 0.61 -1.33 0.00 0.00 177.39 177.86 1oz0 n GLY 63 N -2.53 -1.23 2.76 -0.72 0.00 -1.26 -3.63 105.19 98.58 1oz0 n GLY 63 Ca -0.31 0.49 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.69 -0.50 0.13 -0.02 0.00 -1.19 -4.90 105.19 97.02 1oz0 n GLY 64 Ca -0.02 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1oz0 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oz0 n ARG 65 N -3.21 0.63 -0.03 1.61 1.74 -1.12 -4.76 116.66 111.52 1oz0 n ARG 65 Ca -0.11 0.28 0.06 0.00 -0.77 0.00 0.00 57.85 57.31 1oz0 n ARG 65 Cb 0.60 -1.58 -0.17 0.00 -1.02 0.00 0.00 32.46 30.29 1oz0 n ARG 65 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1oz0 n VAL 66 N -3.88 0.33 0.00 1.55 0.24 -1.25 -4.62 118.33 110.71 1oz0 n VAL 66 Ca -0.45 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.26 1oz0 n VAL 66 Cb 0.91 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 1oz0 n VAL 66 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1oz0 n LYS 67 N -2.38 0.00 -0.43 7.34 2.85 -1.26 0.44 118.16 124.72 1oz0 n LYS 67 Ca -0.11 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.26 1oz0 n LYS 67 Cb 0.71 0.00 0.33 0.00 -0.65 0.00 0.00 35.03 35.42 1oz0 n LYS 67 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1oz0 n THR 68 N -0.43 1.19 -2.12 0.58 -2.24 -1.26 -4.70 114.28 105.31 1oz0 n THR 68 Ca 0.00 -1.05 -0.41 0.00 -2.27 0.00 0.00 64.05 60.32 1oz0 n THR 68 Cb 0.00 0.41 -0.00 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 1.51 7.32 -3.88 3.22 4.77 0.17 -4.77 117.00 125.34 1oz0 n LEU 69 Ca 0.25 -4.70 -0.15 0.00 -0.03 0.00 0.00 56.01 51.38 1oz0 n LEU 69 Cb 0.68 -1.45 -0.15 0.00 -2.33 0.00 0.00 43.42 40.18 1oz0 n LEU 69 CO 0.18 1.67 -0.38 -2.28 -1.33 0.00 0.00 177.39 175.25 1oz0 s HIS 70 N 0.04 0.27 0.57 -1.77 2.46 -1.26 -5.05 115.29 110.55 1oz0 s HIS 70 Ca 0.47 -0.03 0.28 0.00 0.47 0.00 0.00 55.06 56.25 1oz0 s HIS 70 Cb 0.14 -0.25 1.50 0.00 -0.13 0.00 0.00 32.58 33.83 1oz0 s HIS 70 CO -0.04 -0.05 1.97 -1.00 -2.47 0.00 0.00 174.74 173.15 1oz0 h PRO 71 N 6.53 0.00 0.00 2.88 0.13 -1.99 0.32 132.00 139.87 1oz0 h PRO 71 Ca -0.33 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 1oz0 h PRO 71 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1oz0 h PRO 71 CO 0.50 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.14 1oz0 h ALA 72 N 1.61 1.37 0.00 -0.56 0.00 -1.96 0.21 119.26 119.93 1oz0 h ALA 72 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1oz0 h ALA 72 Cb 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1oz0 h ALA 72 CO -0.00 0.15 -0.06 0.28 0.00 0.00 0.00 179.25 179.62 1oz0 h VAL 73 N 0.00 0.00 -0.92 0.00 2.07 -1.27 -3.27 116.25 112.87 1oz0 h VAL 73 Ca -0.00 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.18 1oz0 h VAL 73 Cb 0.31 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 1oz0 h VAL 73 CO 0.02 0.00 0.59 0.45 0.02 0.00 0.00 177.57 178.65 1oz0 h HIS 74 N -0.42 1.05 -0.13 1.57 3.86 -1.48 0.32 115.15 119.92 1oz0 h HIS 74 Ca 0.00 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.14 1oz0 h HIS 74 Cb 0.06 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 1oz0 h HIS 74 CO -0.03 0.53 -0.37 0.00 0.86 0.00 0.00 177.93 178.92 1oz0 h ALA 75 N 1.52 1.14 0.00 2.45 0.00 -1.17 2.21 119.26 125.41 1oz0 h ALA 75 Ca 0.40 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1oz0 h ALA 75 Cb 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1oz0 h ALA 75 CO -0.16 0.57 -0.07 0.78 0.00 0.00 0.00 179.25 180.37 1oz0 h GLY 76 N 1.15 0.00 0.00 0.00 0.00 -1.01 0.15 103.07 103.36 1oz0 h GLY 76 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.99 1oz0 h GLY 76 CO 0.06 0.00 -2.38 1.39 0.00 0.00 0.00 176.54 175.61 1oz0 n ILE 77 N -3.60 1.39 0.12 2.60 5.41 -0.09 -0.69 119.36 124.51 1oz0 n ILE 77 Ca -0.02 -0.69 0.05 0.00 1.00 0.00 0.00 62.75 63.10 1oz0 n ILE 77 Cb 0.18 -0.93 0.02 0.00 -0.71 0.00 0.00 39.64 38.20 1oz0 n ILE 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1oz0 h LEU 78 N 0.00 0.00 -9.94 1.39 3.38 0.38 -3.45 115.31 107.07 1oz0 h LEU 78 Ca -0.54 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.87 1oz0 h LEU 78 Cb 2.04 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.92 1oz0 h LEU 78 CO -0.03 0.32 0.55 0.00 0.09 0.00 0.00 178.44 179.38 1oz0 n ALA 79 N -2.23 1.50 -2.61 1.53 0.00 0.02 -4.98 120.51 113.74 1oz0 n ALA 79 Ca -0.01 0.19 -0.25 0.00 0.00 0.00 0.00 53.44 53.38 1oz0 n ALA 79 Cb 0.68 -2.32 -0.08 0.00 0.00 0.00 0.00 19.45 17.73 1oz0 n ALA 79 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1oz0 s ARG 80 N -2.55 2.19 -1.14 0.00 0.52 -1.26 -4.99 118.95 111.72 1oz0 s ARG 80 Ca 0.66 -1.37 -0.15 0.00 -0.52 0.00 0.00 55.73 54.35 1oz0 s ARG 80 Cb -0.45 -2.15 -0.06 0.00 0.52 0.00 0.00 34.95 32.80 1oz0 s ARG 80 CO 0.54 0.39 2.18 0.09 0.02 0.00 0.00 175.30 178.53 1oz0 n ASN 81 N -0.51 4.09 -3.77 0.23 5.03 -1.26 -4.30 115.26 114.77 1oz0 n ASN 81 Ca -0.08 -2.67 -0.13 0.00 0.87 0.00 0.00 54.58 52.57 1oz0 n ASN 81 Cb 0.58 -1.36 -0.12 0.00 -1.02 0.00 0.00 39.78 37.85 1oz0 n ASN 81 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1oz0 s ILE 82 N 3.79 -0.02 0.00 2.41 1.01 -1.26 -5.04 121.20 122.10 1oz0 s ILE 82 Ca 0.53 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.23 1oz0 s ILE 82 Cb 0.14 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 42.28 1oz0 s ILE 82 CO 0.00 0.02 0.26 -2.65 0.00 0.00 0.00 174.94 172.57 1oz0 n PRO 83 N 3.42 0.00 -0.37 2.79 -0.02 -1.26 0.07 135.00 139.63 1oz0 n PRO 83 Ca -0.17 0.26 0.02 0.00 -2.02 0.00 0.00 63.50 61.58 1oz0 n PRO 83 Cb 0.56 -0.40 0.08 0.00 -0.02 0.00 0.00 33.50 33.72 1oz0 n PRO 83 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1oz0 n GLU 84 N -1.91 -0.18 0.46 -0.52 4.71 -1.26 -1.43 120.64 120.52 1oz0 n GLU 84 Ca 0.00 1.52 -0.20 0.00 -0.01 0.00 0.00 57.16 58.48 1oz0 n GLU 84 Cb 0.00 -2.27 -0.10 0.00 -1.01 0.00 0.00 31.44 28.07 1oz0 n GLU 84 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1oz0 h ASP 85 N 0.00 -1.06 -0.95 1.62 5.19 -0.63 -3.12 116.42 117.46 1oz0 h ASP 85 Ca 0.39 0.04 0.09 0.00 -0.62 0.00 0.00 57.03 56.93 1oz0 h ASP 85 Cb 0.64 0.29 -0.11 0.00 0.18 0.00 0.00 39.33 40.32 1oz0 h ASP 85 CO -0.99 -0.73 -0.57 0.78 -3.12 0.00 0.00 179.24 174.61 1oz0 h ASN 86 N -1.19 -2.09 -0.30 6.45 2.35 -0.04 -1.77 115.58 118.99 1oz0 h ASN 86 Ca -0.12 0.32 0.03 0.00 -0.55 0.00 0.00 56.30 55.98 1oz0 h ASN 86 Cb 0.92 0.92 -0.05 0.00 0.05 0.00 0.00 38.32 40.17 1oz0 h ASN 86 CO 0.17 -0.23 -0.28 0.00 -1.65 0.00 0.00 177.43 175.44 1oz0 h ALA 87 N 0.43 -0.44 -1.29 -0.83 0.00 -1.44 0.78 119.26 116.46 1oz0 h ALA 87 Ca 0.15 0.02 0.39 0.00 0.00 0.00 0.00 54.91 55.47 1oz0 h ALA 87 Cb 0.40 1.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.11 1oz0 h ALA 87 CO -0.90 -0.60 0.87 -0.44 0.00 0.00 0.00 179.25 178.18 1oz0 h ASP 88 N -0.13 0.22 -0.14 0.00 5.19 -1.28 0.40 116.42 120.67 1oz0 h ASP 88 Ca 0.05 0.08 -0.20 0.00 -0.62 0.00 0.00 57.03 56.34 1oz0 h ASP 88 Cb 0.26 0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1oz0 h ASP 88 CO -0.35 -0.05 -0.65 0.24 -3.12 0.00 0.00 179.24 175.31 1oz0 h MET 89 N 0.14 0.76 0.70 3.56 2.86 -0.21 -2.17 114.93 120.58 1oz0 h MET 89 Ca 0.72 -0.54 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1oz0 h MET 89 Cb 2.36 0.09 0.01 0.00 0.06 0.00 0.00 31.60 34.11 1oz0 h MET 89 CO -0.25 1.16 -0.34 -0.91 1.06 0.00 0.00 176.91 177.64 1oz0 h ASN 90 N 0.56 -0.80 -1.00 1.22 2.35 0.52 -0.03 115.58 118.40 1oz0 h ASN 90 Ca -0.01 0.01 0.30 0.00 -0.55 0.00 0.00 56.30 56.04 1oz0 h ASN 90 Cb 1.25 0.21 -0.19 0.00 0.05 0.00 0.00 38.32 39.64 1oz0 h ASN 90 CO 0.13 -0.43 0.09 1.17 -1.65 0.00 0.00 177.43 176.75 1oz0 n LYS 91 N -5.41 -0.08 0.00 0.81 4.81 0.02 0.94 118.16 119.25 1oz0 n LYS 91 Ca -0.12 1.48 0.13 0.00 -0.87 0.00 0.00 58.31 58.93 1oz0 n LYS 91 Cb 0.38 -2.39 0.36 0.00 0.02 0.00 0.00 35.03 33.40 1oz0 n LYS 91 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1oz0 n GLN 92 N -5.47 0.42 -2.72 1.64 1.13 -0.82 -4.94 117.38 106.61 1oz0 n GLN 92 Ca 0.26 -0.23 -0.13 0.00 -1.94 0.00 0.00 57.00 54.96 1oz0 n GLN 92 Cb 0.84 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.72 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 -1.10 -4.28 -4.86 1.08 2.03 0.27 -5.02 116.55 104.67 1oz0 n ASP 93 Ca 0.09 -0.18 -0.37 0.00 0.52 0.00 0.00 54.79 54.86 1oz0 n ASP 93 Cb 0.33 -3.15 -0.06 0.00 -0.72 0.00 0.00 41.12 37.52 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 -2.92 3.56 0.19 -0.67 0.08 -0.13 -5.03 117.98 113.05 1oz0 s PHE 94 Ca 0.19 0.50 0.00 0.00 0.12 0.00 0.00 56.93 57.73 1oz0 s PHE 94 Cb -0.08 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 1oz0 s PHE 94 CO 0.23 0.71 0.36 -1.12 -0.10 0.00 0.00 175.22 175.30 1oz0 s SER 95 N -1.00 6.37 0.26 1.36 0.01 -1.26 -4.61 113.70 114.83 1oz0 s SER 95 Ca 0.15 0.34 -0.30 0.00 1.31 0.00 0.00 55.95 57.45 1oz0 s SER 95 Cb -0.12 -1.98 -0.09 0.00 0.21 0.00 0.00 66.02 64.03 1oz0 s SER 95 CO 0.04 -0.01 1.04 -0.76 0.41 0.00 0.00 173.24 173.96 1oz0 s LEU 96 N -3.28 4.58 -0.29 2.44 1.02 -1.26 -4.59 118.68 117.30 1oz0 s LEU 96 Ca 0.37 2.14 -0.14 0.00 0.02 0.00 0.00 54.13 56.53 1oz0 s LEU 96 Cb -0.11 -3.62 -0.04 0.00 0.02 0.00 0.00 46.19 42.44 1oz0 s LEU 96 CO 0.29 -0.04 0.31 -0.69 0.02 0.00 0.00 176.35 176.23 1oz0 s VAL 97 N -1.10 5.22 -0.65 -1.59 1.01 0.14 -0.33 120.40 123.09 1oz0 s VAL 97 Ca 0.44 0.31 0.23 0.00 0.00 0.00 0.00 61.98 62.95 1oz0 s VAL 97 Cb -0.30 -3.67 -0.14 0.00 0.00 0.00 0.00 36.38 32.27 1oz0 s VAL 97 CO 0.37 0.13 0.99 -1.14 0.00 0.00 0.00 175.10 175.45 1oz0 n ARG 98 N 5.25 0.25 -3.66 2.72 0.63 0.13 -4.71 116.66 117.27 1oz0 n ARG 98 Ca -0.11 -0.02 -0.07 0.00 -0.92 0.00 0.00 57.85 56.74 1oz0 n ARG 98 Cb 0.51 -1.57 -0.08 0.00 0.45 0.00 0.00 32.46 31.77 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 -3.18 -0.53 -0.26 5.15 1.01 -1.17 -2.12 120.40 119.31 1oz0 s VAL 99 Ca 0.04 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 1oz0 s VAL 99 Cb 0.15 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1oz0 s VAL 99 CO 0.81 0.04 0.04 -0.69 0.00 0.00 0.00 175.10 175.30 1oz0 s VAL 100 N 2.33 3.85 -0.44 2.92 1.01 -0.75 0.14 120.40 129.45 1oz0 s VAL 100 Ca -0.05 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1oz0 s VAL 100 Cb -0.10 -2.86 0.12 0.00 0.00 0.00 0.00 36.38 33.53 1oz0 s VAL 100 CO -0.15 0.26 0.21 -0.69 0.00 0.00 0.00 175.10 174.73 1oz0 s VAL 101 N 1.52 2.96 0.00 2.92 1.01 0.14 -1.31 120.40 127.64 1oz0 s VAL 101 Ca 0.05 -2.47 -0.12 0.00 0.00 0.00 0.00 61.98 59.43 1oz0 s VAL 101 Cb -0.16 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.19 1oz0 s VAL 101 CO 0.01 -0.71 0.25 0.00 0.00 0.00 0.00 175.10 174.65 1oz0 s ASN 103 N -1.50 -0.19 0.64 0.00 2.20 -1.24 -3.70 114.94 111.15 1oz0 s ASN 103 Ca -0.12 0.45 -0.09 0.00 -0.94 0.00 0.00 52.86 52.15 1oz0 s ASN 103 Cb -0.05 0.33 -0.00 0.00 -2.00 0.00 0.00 41.25 39.53 1oz0 s ASN 103 CO 0.02 -0.16 1.01 -1.48 -2.94 0.00 0.00 177.10 173.54 1oz0 s LEU 104 N 1.26 3.11 -0.36 3.54 2.34 -1.26 -2.90 118.68 124.41 1oz0 s LEU 104 Ca -0.09 1.06 -0.24 0.00 0.06 0.00 0.00 54.13 54.92 1oz0 s LEU 104 Cb -0.11 -3.93 0.01 0.00 -0.56 0.00 0.00 46.19 41.60 1oz0 s LEU 104 CO -0.08 -1.11 0.85 -0.47 -1.06 0.00 0.00 176.35 174.48 1oz0 s TYR 105 N -3.18 3.10 -0.70 3.48 5.04 -1.26 -4.89 117.35 118.94 1oz0 s TYR 105 Ca 0.55 0.66 -0.36 0.00 -2.44 0.00 0.00 57.07 55.49 1oz0 s TYR 105 Cb -0.11 -3.50 -0.19 0.00 0.35 0.00 0.00 41.96 38.51 1oz0 s TYR 105 CO 0.50 -0.77 2.28 -2.30 -1.34 0.00 0.00 175.55 173.93 1oz0 n PRO 106 N 6.56 0.00 -0.28 4.97 -0.02 -1.26 -4.73 135.00 140.25 1oz0 n PRO 106 Ca 0.05 0.00 0.22 0.00 -2.02 0.00 0.00 63.50 61.75 1oz0 n PRO 106 Cb 0.48 -1.42 0.53 0.00 -0.02 0.00 0.00 33.50 33.07 1oz0 n PRO 106 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1oz0 h PHE 107 N 9.90 0.53 0.03 6.00 3.57 -1.91 -0.64 116.94 134.42 1oz0 h PHE 107 Ca -0.07 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.47 1oz0 h PHE 107 Cb 1.29 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.83 1oz0 h PHE 107 CO 0.98 0.10 -0.27 -0.39 -2.23 0.00 0.00 178.31 176.50 1oz0 h VAL 108 N 0.36 0.40 -0.41 1.41 -1.51 -1.93 0.29 116.25 114.86 1oz0 h VAL 108 Ca 0.52 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 66.09 1oz0 h VAL 108 Cb 1.38 0.40 -0.02 0.00 -2.13 0.00 0.00 31.29 30.92 1oz0 h VAL 108 CO -0.20 0.00 0.29 0.50 -1.23 0.00 0.00 177.57 176.92 1oz0 h LYS 109 N -0.43 0.12 0.08 5.19 1.63 -1.47 0.62 116.57 122.32 1oz0 h LYS 109 Ca 0.05 -0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.72 1oz0 h LYS 109 Cb 0.50 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.11 1oz0 h LYS 109 CO -0.21 0.08 -0.56 1.15 -3.45 0.00 0.00 179.45 176.46 1oz0 h THR 110 N 0.12 1.57 0.00 1.00 2.02 -1.05 -3.29 112.91 113.28 1oz0 h THR 110 Ca 0.19 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.98 1oz0 h THR 110 Cb 0.60 3.15 0.00 0.00 -1.74 0.00 0.00 68.15 70.16 1oz0 h THR 110 CO -0.02 0.66 0.00 -0.37 0.37 0.00 0.00 175.52 176.16 1oz0 h VAL 111 N -0.50 0.00 -1.39 3.16 -1.51 -0.06 -3.04 116.25 112.91 1oz0 h VAL 111 Ca -0.09 -0.48 -0.67 0.00 -1.23 0.00 0.00 66.70 64.23 1oz0 h VAL 111 Cb 1.40 1.41 -0.33 0.00 -2.13 0.00 0.00 31.29 31.64 1oz0 h VAL 111 CO 0.11 0.00 0.39 -1.54 -1.23 0.00 0.00 177.57 175.29 1oz0 n SER 112 N -2.82 6.68 -4.95 4.19 3.41 0.18 -4.74 113.62 115.56 1oz0 n SER 112 Ca 0.02 -3.79 -0.23 0.00 -0.26 0.00 0.00 58.87 54.61 1oz0 n SER 112 Cb 0.31 -0.82 0.01 0.00 -0.26 0.00 0.00 64.21 63.46 1oz0 n SER 112 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1oz0 s SER 113 N -2.16 4.91 -1.03 4.04 1.04 -1.15 -4.92 113.70 114.43 1oz0 s SER 113 Ca 0.55 -0.99 -0.24 0.00 0.48 0.00 0.00 55.95 55.75 1oz0 s SER 113 Cb 0.45 0.17 -0.10 0.00 0.10 0.00 0.00 66.02 66.65 1oz0 s SER 113 CO -0.17 -1.10 2.02 -2.16 0.98 0.00 0.00 173.24 172.80 1oz0 s PRO 114 N -4.40 2.24 -0.40 4.02 0.04 -1.26 -3.51 135.00 131.73 1oz0 s PRO 114 Ca 0.47 -0.57 -0.01 0.00 0.04 0.00 0.00 61.00 60.93 1oz0 s PRO 114 Cb -0.04 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.41 1oz0 s PRO 114 CO 0.29 -4.03 0.35 0.41 0.04 0.00 0.00 177.00 174.06 1oz0 n GLY 115 N 6.34 0.34 3.73 0.56 0.00 -1.26 -4.98 105.19 109.91 1oz0 n GLY 115 Ca 0.43 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.11 2.69 0.27 1.61 0.11 -1.23 -5.00 120.40 115.74 1oz0 s VAL 116 Ca 0.09 0.53 -0.01 0.00 -2.93 0.00 0.00 61.98 59.67 1oz0 s VAL 116 Cb -0.04 -3.34 -0.04 0.00 -1.53 0.00 0.00 36.38 31.43 1oz0 s VAL 116 CO 0.23 0.06 0.47 0.42 -3.33 0.00 0.00 175.10 172.95 1oz0 s THR 117 N 0.57 5.14 0.10 5.04 -4.23 -1.26 -4.97 115.64 116.04 1oz0 s THR 117 Ca 0.64 -0.37 -0.26 0.00 -1.18 0.00 0.00 61.69 60.52 1oz0 s THR 117 Cb -0.42 -3.79 -0.10 0.00 1.34 0.00 0.00 72.50 69.53 1oz0 s THR 117 CO 0.37 -0.34 1.67 0.58 -0.54 0.00 0.00 174.62 176.36 1oz0 h VAL 118 N 1.21 0.60 -0.61 2.29 2.07 -1.97 0.34 116.25 120.18 1oz0 h VAL 118 Ca -0.49 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.08 1oz0 h VAL 118 Cb 1.20 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1oz0 h VAL 118 CO 0.65 0.00 0.33 -0.65 0.02 0.00 0.00 177.57 177.92 1oz0 h PRO 119 N -0.36 0.60 0.00 1.57 0.11 -1.98 1.40 132.00 133.34 1oz0 h PRO 119 Ca 0.02 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1oz0 h PRO 119 Cb 0.36 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 1oz0 h PRO 119 CO -0.08 0.40 -0.11 1.05 -0.21 0.00 0.00 178.00 179.04 1oz0 h GLU 120 N 0.62 0.00 0.00 1.05 4.11 -1.91 -1.65 114.58 116.79 1oz0 h GLU 120 Ca 0.27 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.70 1oz0 h GLU 120 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1oz0 h GLU 120 CO -0.17 0.11 -0.10 0.00 0.07 0.00 0.00 179.01 178.92 1oz0 h ALA 121 N 1.89 0.00 -0.75 1.06 0.00 0.21 -3.23 119.26 118.44 1oz0 h ALA 121 Ca -0.00 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 54.94 1oz0 h ALA 121 Cb 0.60 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 1oz0 h ALA 121 CO 0.01 0.09 0.11 0.28 0.00 0.00 0.00 179.25 179.75 1oz0 h VAL 122 N -1.00 0.42 -0.23 0.00 2.07 0.18 0.85 116.25 118.54 1oz0 h VAL 122 Ca -0.01 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1oz0 h VAL 122 Cb 0.18 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1oz0 h VAL 122 CO -0.00 0.03 0.25 -0.08 0.02 0.00 0.00 177.57 177.79 1oz0 h GLU 123 N 0.19 0.00 -0.35 1.57 4.57 -1.43 -0.49 114.58 118.64 1oz0 h GLU 123 Ca 0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 1oz0 h GLU 123 Cb 0.76 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1oz0 h GLU 123 CO -0.58 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 178.88 1oz0 n LYS 124 N -3.84 1.76 -2.67 1.92 5.02 0.29 -4.86 118.16 115.78 1oz0 n LYS 124 Ca 0.03 -1.06 -0.42 0.00 -2.02 0.00 0.00 58.31 54.84 1oz0 n LYS 124 Cb 0.38 -1.29 -0.03 0.00 -0.02 0.00 0.00 35.03 34.08 1oz0 n LYS 124 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1oz0 s ILE 125 N -1.62 4.75 0.40 -0.18 1.01 -0.19 -4.91 121.20 120.45 1oz0 s ILE 125 Ca 0.19 2.00 -0.23 0.00 0.00 0.00 0.00 60.65 62.61 1oz0 s ILE 125 Cb 0.11 -4.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.19 1oz0 s ILE 125 CO 0.12 0.05 0.98 -0.62 0.00 0.00 0.00 174.94 175.47 1oz0 s ASP 126 N 1.10 6.95 0.14 3.58 -1.08 -1.26 -4.97 116.67 121.13 1oz0 s ASP 126 Ca 0.50 1.82 0.00 0.00 -0.52 0.00 0.00 52.55 54.35 1oz0 s ASP 126 Cb -0.20 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 1oz0 s ASP 126 CO 0.22 -0.35 0.00 -0.38 0.52 0.00 0.00 175.17 175.18 1oz0 n ILE 127 N -0.24 0.52 -0.25 4.11 -0.00 -1.26 -4.75 119.36 117.49 1oz0 n ILE 127 Ca 0.05 0.17 -0.06 0.00 -0.00 0.00 0.00 62.75 62.91 1oz0 n ILE 127 Cb 0.52 -0.97 0.05 0.00 -0.00 0.00 0.00 39.64 39.24 1oz0 n ILE 127 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 1oz0 h GLY 128 N 0.00 1.11 0.90 7.39 0.00 -1.93 -2.36 103.07 108.18 1oz0 h GLY 128 Ca 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 47.33 46.77 1oz0 h GLY 128 CO 0.00 0.56 0.45 -1.33 0.00 0.00 0.00 176.54 176.22 1oz0 h GLY 129 N 0.99 1.01 1.02 4.60 0.00 -1.96 0.78 103.07 109.52 1oz0 h GLY 129 Ca 0.23 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1oz0 h GLY 129 CO -0.02 0.30 0.38 -2.08 0.00 0.00 0.00 176.54 175.11 1oz0 h VAL 130 N 0.89 1.25 0.24 4.60 2.07 -1.81 -2.13 116.25 121.35 1oz0 h VAL 130 Ca 0.28 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1oz0 h VAL 130 Cb -0.01 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1oz0 h VAL 130 CO -0.10 0.29 -0.11 0.00 0.02 0.00 0.00 177.57 177.67 1oz0 h ALA 131 N 1.19 -0.32 -0.61 1.67 0.00 -0.79 -0.92 119.26 119.49 1oz0 h ALA 131 Ca 0.27 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1oz0 h ALA 131 Cb 0.11 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 17.92 1oz0 h ALA 131 CO -0.03 -0.66 -0.41 -0.07 0.00 0.00 0.00 179.25 178.08 1oz0 h LEU 132 N -0.36 -1.41 -0.65 0.00 3.38 -0.55 -0.83 115.31 114.90 1oz0 h LEU 132 Ca -0.03 0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1oz0 h LEU 132 Cb 0.28 0.66 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1oz0 h LEU 132 CO 0.05 -0.32 0.43 -0.07 0.09 0.00 0.00 178.44 178.62 1oz0 h LEU 133 N -0.19 0.73 -0.47 1.67 3.38 -1.17 -0.98 115.31 118.27 1oz0 h LEU 133 Ca 0.20 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1oz0 h LEU 133 Cb 0.56 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1oz0 h LEU 133 CO -0.70 0.53 0.28 0.03 0.09 0.00 0.00 178.44 178.66 1oz0 h ARG 134 N 0.87 0.55 -0.43 1.13 3.08 0.18 0.50 114.38 120.26 1oz0 h ARG 134 Ca 0.24 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 1oz0 h ARG 134 Cb -0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1oz0 h ARG 134 CO -0.06 0.36 -0.17 0.00 -1.07 0.00 0.00 179.97 179.03 1oz0 h ALA 135 N 1.21 0.60 0.35 0.04 0.00 -1.15 -0.62 119.26 119.69 1oz0 h ALA 135 Ca 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1oz0 h ALA 135 Cb 0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1oz0 h ALA 135 CO -0.08 0.54 -0.21 0.00 0.00 0.00 0.00 179.25 179.50 1oz0 h ALA 136 N 0.84 -0.52 -0.53 0.00 0.00 -0.74 -0.63 119.26 117.67 1oz0 h ALA 136 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1oz0 h ALA 136 Cb 0.73 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1oz0 h ALA 136 CO 0.06 -0.80 0.29 0.00 0.00 0.00 0.00 179.25 178.80 1oz0 h ALA 137 N 0.10 1.51 -0.09 0.00 0.00 0.04 -2.85 119.26 117.97 1oz0 h ALA 137 Ca -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1oz0 h ALA 137 Cb 0.43 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1oz0 h ALA 137 CO 0.05 0.41 -0.06 -0.22 0.00 0.00 0.00 179.25 179.42 1oz0 h LYS 138 N 0.74 0.21 -1.48 0.00 3.64 -0.82 -3.12 116.57 115.74 1oz0 h LYS 138 Ca 0.19 -0.10 -0.28 0.00 -1.27 0.00 0.00 60.65 59.19 1oz0 h LYS 138 Cb 0.02 -0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 31.71 1oz0 h LYS 138 CO -0.03 0.60 0.37 -1.71 -2.27 0.00 0.00 179.45 176.40 1oz0 n ASN 139 N -4.71 5.91 0.00 4.20 5.15 -0.27 -4.46 115.26 121.09 1oz0 n ASN 139 Ca -0.07 -2.96 0.06 0.00 -0.60 0.00 0.00 54.58 51.01 1oz0 n ASN 139 Cb 0.29 -1.00 0.34 0.00 -0.53 0.00 0.00 39.78 38.88 1oz0 n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oz0 n HIS 140 N 0.35 0.00 -0.00 1.20 1.44 -1.09 0.02 115.22 117.14 1oz0 n HIS 140 Ca 0.27 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.93 1oz0 n HIS 140 Cb 0.64 -0.11 0.15 0.00 0.12 0.00 0.00 29.99 30.79 1oz0 n HIS 140 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1oz0 h ALA 141 N 2.69 0.98 0.00 1.59 0.00 -1.89 -3.38 119.26 119.25 1oz0 h ALA 141 Ca 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1oz0 h ALA 141 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1oz0 h ALA 141 CO 0.00 0.60 -1.21 -2.13 0.00 0.00 0.00 179.25 176.51 1oz0 n ARG 142 N -4.08 0.08 -2.45 0.00 0.63 -0.89 -4.95 116.66 105.00 1oz0 n ARG 142 Ca -0.01 0.03 -0.40 0.00 -0.92 0.00 0.00 57.85 56.55 1oz0 n ARG 142 Cb 0.45 -0.78 -0.04 0.00 0.45 0.00 0.00 32.46 32.54 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 -2.07 3.49 -0.28 5.15 1.01 0.10 -4.94 120.40 122.86 1oz0 s VAL 143 Ca -0.05 1.46 -0.05 0.00 0.00 0.00 0.00 61.98 63.34 1oz0 s VAL 143 Cb 0.02 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.49 1oz0 s VAL 143 CO 0.07 0.33 0.04 -0.89 0.00 0.00 0.00 175.10 174.65 1oz0 s THR 144 N -0.98 3.58 -0.01 3.92 2.01 -0.90 -4.11 115.64 119.14 1oz0 s THR 144 Ca 0.46 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1oz0 s THR 144 Cb -0.32 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1oz0 s THR 144 CO 0.41 0.09 -0.01 0.54 -0.69 0.00 0.00 174.62 174.96 1oz0 s VAL 145 N 1.43 4.10 -0.16 3.82 0.11 -1.26 -1.82 120.40 126.62 1oz0 s VAL 145 Ca 0.01 -0.57 -0.05 0.00 -2.93 0.00 0.00 61.98 58.45 1oz0 s VAL 145 Cb -0.17 -2.80 0.06 0.00 -1.53 0.00 0.00 36.38 31.93 1oz0 s VAL 145 CO 0.00 0.42 0.08 -0.69 -3.33 0.00 0.00 175.10 171.58 1oz0 s VAL 146 N -1.04 -0.06 -0.03 2.04 1.01 -0.42 -4.71 120.40 117.19 1oz0 s VAL 146 Ca 0.18 -0.12 0.16 0.00 0.00 0.00 0.00 61.98 62.20 1oz0 s VAL 146 Cb -0.11 -0.55 -0.24 0.00 0.00 0.00 0.00 36.38 35.48 1oz0 s VAL 146 CO 0.09 -0.23 0.32 0.00 0.00 0.00 0.00 175.10 175.28 1oz0 s ASP 148 N -3.88 4.98 0.57 0.00 2.15 -1.26 -4.45 116.67 114.77 1oz0 s ASP 148 Ca -0.06 -0.97 0.34 0.00 0.43 0.00 0.00 52.55 52.29 1oz0 s ASP 148 Cb 0.10 -1.80 1.45 0.00 -0.30 0.00 0.00 42.92 42.36 1oz0 s ASP 148 CO 0.65 -0.23 1.72 -0.65 -0.17 0.00 0.00 175.17 176.49 1oz0 h PRO 149 N 8.14 0.00 0.00 4.34 0.11 -1.91 -0.79 132.00 141.90 1oz0 h PRO 149 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1oz0 h PRO 149 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1oz0 h PRO 149 CO 0.58 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 1oz0 n ALA 150 N -2.59 1.86 0.35 -0.75 0.00 -1.26 -2.01 120.51 116.11 1oz0 n ALA 150 Ca 0.22 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.70 1oz0 n ALA 150 Cb 1.22 -1.21 -0.15 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.17 0.36 -0.14 0.00 8.00 -0.30 -4.64 116.55 118.66 1oz0 n ASP 151 Ca 0.08 -0.34 -0.04 0.00 0.71 0.00 0.00 54.79 55.19 1oz0 n ASP 151 Cb 0.08 1.61 -0.04 0.00 -0.02 0.00 0.00 41.12 42.76 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 -0.69 -0.35 1.24 0.05 -1.57 -0.05 116.97 115.60 1oz0 h TYR 152 Ca 0.00 0.05 0.08 0.00 0.05 0.00 0.00 58.73 58.90 1oz0 h TYR 152 Cb 0.82 0.35 -0.08 0.00 1.01 0.00 0.00 36.73 38.83 1oz0 h TYR 152 CO 0.00 -0.14 -0.28 0.66 -1.05 0.00 0.00 178.16 177.35 1oz0 h SER 153 N -0.02 -0.92 0.06 3.88 4.64 -1.82 -0.32 113.55 119.04 1oz0 h SER 153 Ca 0.05 0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.57 1oz0 h SER 153 Cb 0.16 0.44 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1oz0 h SER 153 CO -0.33 -0.30 -0.21 0.28 -0.87 0.00 0.00 176.83 175.40 1oz0 h SER 154 N -0.24 -0.61 0.24 4.97 0.02 -1.69 0.23 113.55 116.49 1oz0 h SER 154 Ca 0.17 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1oz0 h SER 154 Cb 0.50 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 1oz0 h SER 154 CO -0.48 -0.29 -0.39 0.58 -1.14 0.00 0.00 176.83 175.10 1oz0 h VAL 155 N -0.37 0.20 0.07 2.27 2.07 -0.70 -2.59 116.25 117.19 1oz0 h VAL 155 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1oz0 h VAL 155 Cb 0.42 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1oz0 h VAL 155 CO -0.16 0.00 -0.46 0.00 0.02 0.00 0.00 177.57 176.97 1oz0 h ALA 156 N -0.25 -0.81 0.00 1.67 0.00 -0.85 -0.32 119.26 118.71 1oz0 h ALA 156 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1oz0 h ALA 156 Cb 0.68 0.79 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1oz0 h ALA 156 CO -0.15 -1.03 0.00 1.63 0.00 0.00 0.00 179.25 179.70 1oz0 n LYS 157 N -5.47 0.00 -0.05 0.00 5.02 0.81 -0.50 118.16 117.97 1oz0 n LYS 157 Ca -0.07 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.15 1oz0 n LYS 157 Cb 0.39 -1.04 -0.04 0.00 -0.02 0.00 0.00 35.03 34.32 1oz0 n LYS 157 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1oz0 n GLU 158 N -0.53 0.23 0.11 1.97 2.13 -0.16 -4.40 120.64 119.99 1oz0 n GLU 158 Ca 0.00 0.06 -0.21 0.00 0.66 0.00 0.00 57.16 57.67 1oz0 n GLU 158 Cb 0.00 -1.15 -0.13 0.00 0.27 0.00 0.00 31.44 30.43 1oz0 n GLU 158 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1oz0 h MET 159 N -0.04 0.51 0.00 5.31 0.00 -0.99 -1.33 114.93 118.39 1oz0 h MET 159 Ca -0.21 -0.76 0.00 0.00 0.00 0.00 0.00 59.70 58.73 1oz0 h MET 159 Cb 1.31 0.26 0.00 0.00 0.00 0.00 0.00 31.60 33.17 1oz0 h MET 159 CO -0.05 1.35 0.00 0.00 0.00 0.00 0.00 176.91 178.21 1oz0 n ALA 160 N -2.65 2.05 -1.79 6.32 0.00 0.34 -1.22 120.51 123.55 1oz0 n ALA 160 Ca -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1oz0 n ALA 160 Cb 1.02 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1oz0 n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oz0 n ALA 161 N -0.69 1.74 -2.89 0.00 0.00 -1.12 -5.00 120.51 112.54 1oz0 n ALA 161 Ca 0.05 -0.69 -0.29 0.00 0.00 0.00 0.00 53.44 52.51 1oz0 n ALA 161 Cb 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.58 6.16 0.55 0.00 0.15 -0.36 -4.97 113.70 114.64 1oz0 s SER 162 Ca 0.00 0.16 0.23 0.00 0.70 0.00 0.00 55.95 57.05 1oz0 s SER 162 Cb 0.00 -1.83 1.50 0.00 -1.71 0.00 0.00 66.02 63.98 1oz0 s SER 162 CO 0.00 0.13 2.14 0.11 1.20 0.00 0.00 173.24 176.81 1oz0 h LYS 163 N 2.77 0.00 -0.89 5.44 1.57 -1.89 -3.12 116.57 120.46 1oz0 h LYS 163 Ca -0.47 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 57.96 1oz0 h LYS 163 Cb 1.17 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.08 1oz0 h LYS 163 CO 0.71 0.00 -1.12 -0.40 -0.57 0.00 0.00 179.45 178.07 1oz0 n ASP 164 N -4.20 1.93 -2.86 0.86 5.75 -1.26 -5.04 116.55 111.74 1oz0 n ASP 164 Ca 0.00 -2.67 -0.17 0.00 -0.01 0.00 0.00 54.79 51.94 1oz0 n ASP 164 Cb 0.22 -0.50 0.01 0.00 -1.03 0.00 0.00 41.12 39.82 1oz0 n ASP 164 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1oz0 n LYS 165 N -0.27 -0.95 -3.58 0.11 5.02 -1.18 -4.93 118.16 112.38 1oz0 n LYS 165 Ca 0.13 0.57 -0.07 0.00 -2.02 0.00 0.00 58.31 56.93 1oz0 n LYS 165 Cb 0.81 -1.17 -0.03 0.00 -0.02 0.00 0.00 35.03 34.62 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 -1.78 -0.24 0.95 4.39 2.15 -1.26 -5.00 116.67 115.88 1oz0 s ASP 166 Ca 0.09 0.12 -0.12 0.00 0.43 0.00 0.00 52.55 53.07 1oz0 s ASP 166 Cb -0.01 0.22 0.16 0.00 -0.30 0.00 0.00 42.92 42.99 1oz0 s ASP 166 CO 0.49 -0.32 1.11 0.42 -0.17 0.00 0.00 175.17 176.71 1oz0 s THR 167 N -1.99 2.12 0.45 1.71 -4.23 -1.26 -4.36 115.64 108.07 1oz0 s THR 167 Ca 0.05 0.04 -0.22 0.00 -1.18 0.00 0.00 61.69 60.38 1oz0 s THR 167 Cb -0.01 -2.66 -0.08 0.00 1.34 0.00 0.00 72.50 71.09 1oz0 s THR 167 CO -0.04 -0.05 1.06 -0.55 -0.54 0.00 0.00 174.62 174.49 1oz0 s SER 168 N -3.74 6.48 0.62 3.99 0.15 -1.26 -4.89 113.70 115.05 1oz0 s SER 168 Ca 0.64 2.01 0.33 0.00 0.70 0.00 0.00 55.95 59.64 1oz0 s SER 168 Cb -0.17 -2.57 1.87 0.00 -1.71 0.00 0.00 66.02 63.44 1oz0 s SER 168 CO 0.55 -0.69 2.17 1.62 1.20 0.00 0.00 173.24 178.10 1oz0 h VAL 169 N 1.84 0.31 0.00 4.45 3.04 -1.95 -2.16 116.25 121.78 1oz0 h VAL 169 Ca -0.49 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.12 1oz0 h VAL 169 Cb 1.22 0.88 -0.01 0.00 -2.01 0.00 0.00 31.29 31.37 1oz0 h VAL 169 CO 0.60 0.00 -0.46 -0.33 -1.01 0.00 0.00 177.57 176.37 1oz0 h GLU 170 N 0.00 0.00 -1.06 4.17 5.08 -1.94 -3.27 114.58 117.55 1oz0 h GLU 170 Ca 0.04 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.68 1oz0 h GLU 170 Cb 0.31 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.46 1oz0 h GLU 170 CO -0.00 0.88 0.67 1.15 -1.00 0.00 0.00 179.01 180.71 1oz0 h THR 171 N -1.00 0.47 -0.31 1.13 2.02 -1.78 1.28 112.91 114.72 1oz0 h THR 171 Ca -0.12 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 1oz0 h THR 171 Cb 1.01 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1oz0 h THR 171 CO -0.07 0.07 0.04 0.03 0.37 0.00 0.00 175.52 175.96 1oz0 h ARG 172 N 0.38 0.47 0.16 6.66 3.08 -1.54 -1.48 114.38 122.11 1oz0 h ARG 172 Ca 0.63 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.60 1oz0 h ARG 172 Cb 1.59 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.57 1oz0 h ARG 172 CO -0.35 0.46 -0.08 0.00 -1.07 0.00 0.00 179.97 178.93 1oz0 h ARG 173 N 0.46 -0.21 -0.98 0.04 3.08 0.16 0.11 114.38 117.02 1oz0 h ARG 173 Ca 0.10 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.30 1oz0 h ARG 173 Cb 0.24 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.25 1oz0 h ARG 173 CO 0.00 0.16 0.60 1.25 -1.07 0.00 0.00 179.97 180.92 1oz0 h HIS 174 N -0.64 1.09 -0.10 3.04 -0.00 -1.06 0.31 115.15 117.79 1oz0 h HIS 174 Ca -0.02 0.03 -0.19 0.00 -0.00 0.00 0.00 60.37 60.19 1oz0 h HIS 174 Cb 0.47 -0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 27.54 1oz0 h HIS 174 CO 0.05 0.39 -0.73 -0.07 -0.00 0.00 0.00 177.93 177.57 1oz0 h LEU 175 N 0.92 0.59 -0.31 0.26 3.38 -1.25 -2.42 115.31 116.47 1oz0 h LEU 175 Ca 0.50 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1oz0 h LEU 175 Cb 0.56 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1oz0 h LEU 175 CO -0.29 1.13 0.09 0.00 0.09 0.00 0.00 178.44 179.46 1oz0 h ALA 176 N 0.86 0.34 -0.32 1.53 0.00 0.15 -0.46 119.26 121.36 1oz0 h ALA 176 Ca -0.03 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1oz0 h ALA 176 Cb 1.32 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1oz0 h ALA 176 CO 0.13 -0.31 0.18 1.25 0.00 0.00 0.00 179.25 180.50 1oz0 h LEU 177 N 0.22 0.29 -0.28 0.00 6.46 -0.39 -2.37 115.31 119.24 1oz0 h LEU 177 Ca 0.14 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.93 1oz0 h LEU 177 Cb 0.12 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 39.97 1oz0 h LEU 177 CO -0.16 0.21 0.11 0.50 -0.62 0.00 0.00 178.44 178.49 1oz0 h LYS 178 N 0.37 0.24 0.18 1.25 3.64 -0.91 -1.51 116.57 119.84 1oz0 h LYS 178 Ca 0.12 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1oz0 h LYS 178 Cb 0.00 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1oz0 h LYS 178 CO -0.06 0.16 -0.25 0.00 -2.27 0.00 0.00 179.45 177.03 1oz0 h ALA 179 N 1.16 -0.47 -0.28 5.00 0.00 -0.87 0.16 119.26 123.97 1oz0 h ALA 179 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1oz0 h ALA 179 Cb 0.07 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1oz0 h ALA 179 CO -0.11 -0.80 0.18 0.74 0.00 0.00 0.00 179.25 179.26 1oz0 h PHE 180 N -0.49 0.35 -0.29 0.00 0.04 -1.31 -0.47 116.94 114.77 1oz0 h PHE 180 Ca 0.01 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.66 1oz0 h PHE 180 Cb 0.49 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 1oz0 h PHE 180 CO -0.20 0.23 -0.31 1.15 -0.60 0.00 0.00 178.31 178.57 1oz0 h THR 181 N 0.38 1.30 0.00 -1.55 2.02 -0.78 -0.69 112.91 113.59 1oz0 h THR 181 Ca 0.10 -1.49 -0.03 0.00 0.77 0.00 0.00 66.41 65.77 1oz0 h THR 181 Cb -0.03 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1oz0 h THR 181 CO -0.02 0.48 -0.13 -0.74 0.37 0.00 0.00 175.52 175.48 1oz0 h HIS 182 N 0.47 0.00 0.14 3.16 -0.00 0.71 -1.27 115.15 118.37 1oz0 h HIS 182 Ca 0.04 0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 60.17 1oz0 h HIS 182 Cb 0.89 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.31 1oz0 h HIS 182 CO 0.07 0.13 -1.15 1.79 -0.00 0.00 0.00 177.93 178.77 1oz0 h THR 183 N 0.00 1.28 -0.42 6.26 1.35 -0.97 -2.88 112.91 117.53 1oz0 h THR 183 Ca -0.00 -2.50 -0.02 0.00 -0.55 0.00 0.00 66.41 63.34 1oz0 h THR 183 Cb 0.41 2.98 -0.02 0.00 -1.73 0.00 0.00 68.15 69.79 1oz0 h THR 183 CO 0.02 0.72 0.19 0.00 -0.25 0.00 0.00 175.52 176.20 1oz0 h ALA 184 N 0.04 1.54 -0.10 6.62 0.00 -0.72 -1.19 119.26 125.45 1oz0 h ALA 184 Ca -0.22 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.40 1oz0 h ALA 184 Cb 1.75 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 1oz0 h ALA 184 CO 0.13 0.37 -0.72 1.96 0.00 0.00 0.00 179.25 180.99 1oz0 h GLN 185 N 0.59 0.46 0.66 0.00 4.20 -1.34 -1.71 115.11 117.97 1oz0 h GLN 185 Ca 0.15 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 1oz0 h GLN 185 Cb 0.09 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1oz0 h GLN 185 CO -0.02 1.00 -0.42 -0.92 -0.67 0.00 0.00 178.83 177.79 1oz0 h TYR 186 N 0.32 -1.13 -0.11 2.96 3.20 -1.02 0.68 116.97 121.87 1oz0 h TYR 186 Ca -0.03 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 1oz0 h TYR 186 Cb 1.29 0.41 -0.01 0.00 1.54 0.00 0.00 36.73 39.96 1oz0 h TYR 186 CO 0.05 -0.63 -0.32 -0.44 -1.64 0.00 0.00 178.16 175.18 1oz0 h ASP 187 N -1.02 0.21 -0.98 -2.11 5.19 -1.42 -1.58 116.42 114.71 1oz0 h ASP 187 Ca -0.08 -0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.27 1oz0 h ASP 187 Cb 0.83 -0.06 -0.05 0.00 0.18 0.00 0.00 39.33 40.24 1oz0 h ASP 187 CO 0.07 0.52 0.65 0.00 -3.12 0.00 0.00 179.24 177.36 1oz0 h ALA 188 N 1.49 1.31 -0.77 3.45 0.00 -1.00 0.46 119.26 124.21 1oz0 h ALA 188 Ca 0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1oz0 h ALA 188 Cb 0.66 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1oz0 h ALA 188 CO 0.05 0.63 0.27 0.00 0.00 0.00 0.00 179.25 180.19 1oz0 h ALA 189 N 1.40 1.01 -0.12 0.00 0.00 0.08 -1.20 119.26 120.43 1oz0 h ALA 189 Ca 0.36 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1oz0 h ALA 189 Cb -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.37 1oz0 h ALA 189 CO -0.09 0.67 -0.28 0.82 0.00 0.00 0.00 179.25 180.37 1oz0 h ILE 190 N 1.14 1.38 -0.77 0.00 2.04 -0.57 -0.97 117.51 119.76 1oz0 h ILE 190 Ca 0.25 -1.57 0.12 0.00 1.00 0.00 0.00 64.86 64.66 1oz0 h ILE 190 Cb 0.28 2.08 -0.08 0.00 -0.74 0.00 0.00 36.82 38.35 1oz0 h ILE 190 CO -0.01 0.46 0.37 0.28 0.00 0.00 0.00 178.15 179.25 1oz0 h SER 191 N -0.01 0.43 0.72 1.72 0.02 0.05 0.24 113.55 116.73 1oz0 h SER 191 Ca -0.00 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1oz0 h SER 191 Cb 0.89 0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.45 1oz0 h SER 191 CO 0.06 0.21 -0.35 -0.78 -1.14 0.00 0.00 176.83 174.84 1oz0 h ASP 192 N 0.57 -0.82 -1.00 3.07 3.58 -1.15 0.16 116.42 120.83 1oz0 h ASP 192 Ca 0.40 0.00 0.18 0.00 0.42 0.00 0.00 57.03 58.04 1oz0 h ASP 192 Cb 0.53 0.21 -0.10 0.00 1.72 0.00 0.00 39.33 41.68 1oz0 h ASP 192 CO -0.33 -0.52 0.62 0.22 -2.88 0.00 0.00 179.24 176.34 1oz0 h TYR 193 N -1.08 1.06 0.00 0.28 3.20 -0.43 -0.59 116.97 119.42 1oz0 h TYR 193 Ca -0.10 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.62 1oz0 h TYR 193 Cb 0.76 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1oz0 h TYR 193 CO -0.01 0.26 -0.84 0.74 -1.64 0.00 0.00 178.16 176.67 1oz0 h PHE 194 N 0.78 0.09 -0.35 -3.82 0.04 -0.40 -2.51 116.94 110.78 1oz0 h PHE 194 Ca 0.57 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 61.21 1oz0 h PHE 194 Cb 0.86 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 1oz0 h PHE 194 CO -0.00 0.87 -0.06 0.00 -0.60 0.00 0.00 178.31 178.52 1oz0 h ARG 195 N 0.03 0.66 -0.13 1.51 3.08 0.55 0.52 114.38 120.60 1oz0 h ARG 195 Ca -0.02 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.68 1oz0 h ARG 195 Cb 1.47 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.47 1oz0 h ARG 195 CO 0.12 0.81 -0.39 0.87 -1.07 0.00 0.00 179.97 180.30 1oz0 h LYS 196 N 0.45 0.28 0.00 0.04 1.57 -1.33 0.41 116.57 117.98 1oz0 h LYS 196 Ca 0.09 -0.13 -0.26 0.00 -1.87 0.00 0.00 60.65 58.48 1oz0 h LYS 196 Cb 0.55 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1oz0 h LYS 196 CO 0.03 0.63 -1.45 0.93 -0.57 0.00 0.00 179.45 179.02 1oz0 h GLU 197 N 0.23 0.00 0.00 3.15 4.39 -1.32 -3.40 114.58 117.63 1oz0 h GLU 197 Ca 0.02 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1oz0 h GLU 197 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1oz0 h GLU 197 CO 0.06 0.68 -0.42 0.66 -1.16 0.00 0.00 179.01 178.84 1oz0 n TYR 198 N -3.16 0.00 -1.60 4.33 4.01 0.18 -4.81 117.16 116.12 1oz0 n TYR 198 Ca -0.11 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.70 1oz0 n TYR 198 Cb 1.01 -0.02 0.20 0.00 -0.31 0.00 0.00 39.34 40.22 1oz0 n TYR 198 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1oz0 n SER 199 N -1.22 1.73 -4.68 7.72 2.88 0.14 -4.99 113.62 115.20 1oz0 n SER 199 Ca 0.00 -3.75 -0.42 0.00 -1.33 0.00 0.00 58.87 53.37 1oz0 n SER 199 Cb 0.05 -0.51 -0.03 0.00 -0.75 0.00 0.00 64.21 62.97 1oz0 n SER 199 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1oz0 s LYS 200 N -3.06 4.13 0.00 -1.46 2.20 -1.22 -0.72 119.74 119.61 1oz0 s LYS 200 Ca 0.37 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.59 1oz0 s LYS 200 Cb 0.36 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1oz0 s LYS 200 CO -0.07 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 174.46 1oz0 n GLY 201 N 4.31 1.32 0.27 5.54 0.00 0.09 -4.84 105.19 111.88 1oz0 n GLY 201 Ca 0.18 0.00 -0.02 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 0.47 -0.40 1.61 0.31 0.10 -4.87 118.33 113.54 1oz0 n VAL 202 Ca 0.00 0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 1oz0 n VAL 202 Cb 0.00 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 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 -3.06 0.83 -3.86 4.52 3.41 -0.86 0.11 113.62 114.71 1oz0 n SER 203 Ca -0.03 -1.23 -0.12 0.00 -0.26 0.00 0.00 58.87 57.22 1oz0 n SER 203 Cb 0.13 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.94 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 -0.23 0.00 -0.08 4.33 -0.44 -0.96 -1.90 119.66 120.38 1oz0 s GLN 204 Ca 0.00 0.02 -0.03 0.00 -2.50 0.00 0.00 55.36 52.85 1oz0 s GLN 204 Cb 0.00 -0.01 0.05 0.00 -1.64 0.00 0.00 33.01 31.40 1oz0 s GLN 204 CO 0.00 -0.01 0.16 -1.17 0.50 0.00 0.00 175.29 174.76 1oz0 s LEU 205 N 0.08 -0.02 0.20 3.68 2.96 0.24 -0.73 118.68 125.09 1oz0 s LEU 205 Ca -0.01 0.32 -0.30 0.00 -0.22 0.00 0.00 54.13 53.93 1oz0 s LEU 205 Cb -0.01 0.27 -0.08 0.00 0.50 0.00 0.00 46.19 46.87 1oz0 s LEU 205 CO -0.00 -0.24 0.98 -2.16 -1.32 0.00 0.00 176.35 173.61 1oz0 s PRO 206 N 2.22 4.76 0.20 0.98 0.04 -1.26 0.03 135.00 141.97 1oz0 s PRO 206 Ca 0.02 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.64 1oz0 s PRO 206 Cb -0.12 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 1oz0 s PRO 206 CO -0.06 0.35 0.33 -0.51 0.04 0.00 0.00 177.00 177.15 1oz0 s LEU 207 N -0.77 4.32 0.45 -3.56 2.01 0.30 -4.93 118.68 116.51 1oz0 s LEU 207 Ca 0.44 0.14 0.13 0.00 0.01 0.00 0.00 54.13 54.85 1oz0 s LEU 207 Cb -0.26 -2.91 1.06 0.00 0.01 0.00 0.00 46.19 44.09 1oz0 s LEU 207 CO 0.33 -0.02 2.05 0.03 1.01 0.00 0.00 176.35 179.75 1oz0 h ARG 208 N 1.65 0.32 0.00 1.70 3.08 -1.85 -3.40 114.38 115.88 1oz0 h ARG 208 Ca -0.50 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1oz0 h ARG 208 Cb 1.21 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1oz0 h ARG 208 CO 0.65 0.21 0.00 2.48 -1.07 0.00 0.00 179.97 182.24 1oz0 n TYR 209 N -4.48 0.00 0.00 3.04 0.18 -1.26 -4.95 117.16 109.69 1oz0 n TYR 209 Ca 0.04 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.82 1oz0 n TYR 209 Cb 0.21 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.17 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 -0.34 0.86 0.33 -7.48 0.00 -0.08 -2.84 105.19 95.64 1oz0 n GLY 210 Ca 0.00 -1.36 0.15 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.71 1.61 1.85 -1.96 -3.38 114.93 109.34 1oz0 h MET 211 Ca 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 58.99 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 -0.41 -0.80 -0.40 0.00 0.00 176.91 175.30 1oz0 s ASN 212 N -6.32 0.10 0.41 1.39 0.01 -1.26 -4.92 114.94 104.35 1oz0 s ASN 212 Ca -0.05 -0.52 0.22 0.00 -0.71 0.00 0.00 52.86 51.79 1oz0 s ASN 212 Cb 0.17 0.30 1.18 0.00 0.41 0.00 0.00 41.25 43.31 1oz0 s ASN 212 CO 0.65 -0.62 1.62 -0.65 -1.51 0.00 0.00 177.10 176.59 1oz0 h PRO 213 N 3.20 0.00 -0.34 -0.60 0.11 -1.95 -1.54 132.00 130.88 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 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1oz0 h PRO 213 CO 0.52 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.92 1oz0 n HIS 214 N -2.35 0.45 -3.88 0.65 1.44 -1.26 -4.72 115.22 105.55 1oz0 n HIS 214 Ca -0.01 -0.22 -0.35 0.00 -2.01 0.00 0.00 57.72 55.13 1oz0 n HIS 214 Cb 0.21 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.19 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 -1.55 2.04 0.02 -1.40 -0.21 -0.58 -5.07 119.66 112.91 1oz0 s GLN 215 Ca 0.31 -1.64 0.01 0.00 0.02 0.00 0.00 55.36 54.06 1oz0 s GLN 215 Cb 0.17 -3.36 -0.02 0.00 1.00 0.00 0.00 33.01 30.80 1oz0 s GLN 215 CO 0.23 -0.89 -0.05 -1.12 -2.12 0.00 0.00 175.29 171.35 1oz0 s SER 216 N 1.44 0.50 0.73 5.90 0.01 -1.26 -0.90 113.70 120.12 1oz0 s SER 216 Ca 0.04 -0.40 -0.00 0.00 1.31 0.00 0.00 55.95 56.90 1oz0 s SER 216 Cb -0.21 0.04 0.14 0.00 0.21 0.00 0.00 66.02 66.19 1oz0 s SER 216 CO -0.04 -0.17 1.00 -2.16 0.41 0.00 0.00 173.24 172.28 1oz0 s PRO 217 N -1.13 1.62 -0.00 12.44 0.04 -1.26 -5.07 135.00 141.63 1oz0 s PRO 217 Ca -0.09 -1.19 -0.08 0.00 0.04 0.00 0.00 61.00 59.67 1oz0 s PRO 217 Cb -0.08 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 32.13 1oz0 s PRO 217 CO -0.00 -1.49 0.16 0.00 0.04 0.00 0.00 177.00 175.71 1oz0 s ALA 218 N -3.15 -0.40 0.27 8.56 0.00 -1.26 -4.77 121.76 121.01 1oz0 s ALA 218 Ca 0.67 -0.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.45 1oz0 s ALA 218 Cb -0.05 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1oz0 s ALA 218 CO 0.45 -0.21 0.54 1.14 0.00 0.00 0.00 175.76 177.68 1oz0 s GLN 219 N -1.32 1.65 -0.05 0.00 -2.07 -1.26 -0.54 119.66 116.07 1oz0 s GLN 219 Ca -0.14 -1.24 0.02 0.00 -1.82 0.00 0.00 55.36 52.19 1oz0 s GLN 219 Cb -0.07 0.50 0.01 0.00 -1.09 0.00 0.00 33.01 32.36 1oz0 s GLN 219 CO 0.02 -0.71 -0.11 -1.17 -1.32 0.00 0.00 175.29 172.00 1oz0 s LEU 220 N -3.01 1.66 0.26 2.60 2.96 0.10 -4.88 118.68 118.37 1oz0 s LEU 220 Ca 0.20 -0.26 -0.19 0.00 -0.22 0.00 0.00 54.13 53.67 1oz0 s LEU 220 Cb -0.02 -0.73 0.02 0.00 0.50 0.00 0.00 46.19 45.96 1oz0 s LEU 220 CO 0.09 0.04 0.64 -0.72 -1.32 0.00 0.00 176.35 175.08 1oz0 s TYR 221 N 0.53 -0.05 0.04 5.38 -0.85 -1.26 0.83 117.35 121.96 1oz0 s TYR 221 Ca -0.11 -0.36 0.00 0.00 -0.52 0.00 0.00 57.07 56.08 1oz0 s TYR 221 Cb -0.14 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 1oz0 s TYR 221 CO 0.02 -1.13 -0.04 -0.08 -1.52 0.00 0.00 175.55 172.80 1oz0 s THR 222 N -3.94 0.26 -2.10 -3.49 -1.32 -0.80 -5.01 115.64 99.26 1oz0 s THR 222 Ca 0.13 -1.21 0.20 0.00 -1.21 0.00 0.00 61.69 59.61 1oz0 s THR 222 Cb -0.04 -0.70 0.51 0.00 -1.51 0.00 0.00 72.50 70.77 1oz0 s THR 222 CO 0.06 -0.61 1.67 0.35 -2.21 0.00 0.00 174.62 173.89 1oz0 n THR 223 N 1.14 0.07 -2.83 5.08 -2.24 -1.26 -4.81 114.28 109.43 1oz0 n THR 223 Ca -0.21 -0.11 -0.23 0.00 -2.27 0.00 0.00 64.05 61.23 1oz0 n THR 223 Cb 0.57 -0.07 0.02 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.93 2.89 0.27 -0.78 0.52 -1.26 -5.01 118.95 113.64 1oz0 s ARG 224 Ca 0.30 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 1oz0 s ARG 224 Cb 0.15 -2.51 0.59 0.00 0.52 0.00 0.00 34.95 33.70 1oz0 s ARG 224 CO 0.24 -0.44 1.72 -1.35 0.02 0.00 0.00 175.30 175.49 1oz0 h PRO 225 N 0.25 0.46 -2.96 3.54 0.11 -1.98 -3.44 132.00 127.99 1oz0 h PRO 225 Ca -0.45 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1oz0 h PRO 225 Cb 1.27 -0.10 -0.20 0.00 0.11 0.00 0.00 31.00 32.07 1oz0 h PRO 225 CO 0.56 0.31 -0.25 -1.59 -0.21 0.00 0.00 178.00 176.82 1oz0 s LYS 226 N -5.95 0.67 0.26 1.05 -2.85 -1.26 -4.26 119.74 107.39 1oz0 s LYS 226 Ca -0.12 -0.11 -0.30 0.00 -1.00 0.00 0.00 55.97 54.43 1oz0 s LYS 226 Cb 0.23 0.30 -0.11 0.00 -2.06 0.00 0.00 37.83 36.19 1oz0 s LYS 226 CO 0.77 -0.18 1.56 -0.51 0.10 0.00 0.00 175.35 177.09 1oz0 s LEU 227 N -1.20 4.36 0.17 2.77 1.43 0.30 -4.87 118.68 121.63 1oz0 s LEU 227 Ca -0.12 2.82 0.24 0.00 -1.03 0.00 0.00 54.13 56.04 1oz0 s LEU 227 Cb -0.05 -3.62 0.91 0.00 0.03 0.00 0.00 46.19 43.46 1oz0 s LEU 227 CO 0.04 -0.85 1.73 -0.81 0.23 0.00 0.00 176.35 176.69 1oz0 n PRO 228 N 2.64 0.16 -4.17 1.29 -0.04 -1.26 -4.63 135.00 128.98 1oz0 n PRO 228 Ca 0.09 0.27 -0.35 0.00 -0.04 0.00 0.00 63.50 63.47 1oz0 n PRO 228 Cb 0.38 -1.74 -0.09 0.00 -0.04 0.00 0.00 33.50 32.01 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 -4.07 3.79 0.03 1.53 2.96 -1.26 -0.50 118.68 121.16 1oz0 s LEU 229 Ca 0.08 0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 1oz0 s LEU 229 Cb 0.12 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 1oz0 s LEU 229 CO 0.46 0.32 -0.08 0.42 -1.32 0.00 0.00 176.35 176.15 1oz0 s THR 230 N -0.52 0.57 -0.19 3.68 -4.23 0.32 -4.96 115.64 110.31 1oz0 s THR 230 Ca 0.10 -0.86 -0.20 0.00 -1.18 0.00 0.00 61.69 59.55 1oz0 s THR 230 Cb -0.12 -0.59 -0.03 0.00 1.34 0.00 0.00 72.50 73.11 1oz0 s THR 230 CO 0.02 -0.22 0.61 -0.69 -0.54 0.00 0.00 174.62 173.81 1oz0 s VAL 231 N -1.01 5.04 -0.18 2.29 1.01 -1.26 -0.37 120.40 125.92 1oz0 s VAL 231 Ca -0.06 1.16 0.18 0.00 0.00 0.00 0.00 61.98 63.26 1oz0 s VAL 231 Cb -0.08 -3.93 -0.25 0.00 0.00 0.00 0.00 36.38 32.13 1oz0 s VAL 231 CO 0.00 0.13 0.09 0.52 0.00 0.00 0.00 175.10 175.85 1oz0 n VAL 232 N 4.59 1.26 -3.61 2.92 0.31 0.17 -4.94 118.33 119.02 1oz0 n VAL 232 Ca -0.02 -0.81 -0.13 0.00 -0.01 0.00 0.00 64.34 63.37 1oz0 n VAL 232 Cb 0.50 -0.45 -0.06 0.00 -0.91 0.00 0.00 33.84 32.92 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 -5.34 -0.37 0.89 4.52 2.47 -0.91 -4.94 114.94 111.26 1oz0 s ASN 233 Ca -0.10 0.08 0.00 0.00 0.42 0.00 0.00 52.86 53.27 1oz0 s ASN 233 Cb 0.06 0.46 0.00 0.00 -1.45 0.00 0.00 41.25 40.33 1oz0 s ASN 233 CO 0.80 -0.70 0.00 0.61 -3.72 0.00 0.00 177.10 174.09 1oz0 n GLY 234 N 0.41 0.65 3.00 1.21 0.00 -1.23 -1.42 105.19 107.80 1oz0 n GLY 234 Ca -0.18 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 1oz0 n GLY 234 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oz0 s SER 235 N -4.00 0.31 0.80 1.61 1.04 -1.26 -4.88 113.70 107.31 1oz0 s SER 235 Ca 0.00 0.43 -0.12 0.00 0.48 0.00 0.00 55.95 56.74 1oz0 s SER 235 Cb 0.00 0.97 0.08 0.00 0.10 0.00 0.00 66.02 67.17 1oz0 s SER 235 CO 0.00 -0.27 1.14 -2.16 0.98 0.00 0.00 173.24 172.93 1oz0 s PRO 236 N 2.50 1.86 0.12 4.02 0.04 -1.26 -4.87 135.00 137.40 1oz0 s PRO 236 Ca 0.06 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.59 1oz0 s PRO 236 Cb -0.14 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1oz0 s PRO 236 CO -0.13 -1.99 0.08 0.41 0.04 0.00 0.00 177.00 175.40 1oz0 n GLY 237 N -0.22 3.10 0.30 0.56 0.00 -1.26 -3.57 105.19 104.10 1oz0 n GLY 237 Ca 0.11 -2.20 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 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 0.59 -0.66 -0.31 1.61 3.04 -1.70 -3.05 116.94 116.45 1oz0 h PHE 238 Ca -0.08 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.86 1oz0 h PHE 238 Cb 0.27 0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.98 1oz0 h PHE 238 CO 0.00 -0.34 0.18 0.82 -2.02 0.00 0.00 178.31 176.95 1oz0 h ILE 239 N -0.95 1.10 -0.75 1.41 2.04 -1.87 -1.98 117.51 116.51 1oz0 h ILE 239 Ca -0.07 -0.24 0.14 0.00 1.00 0.00 0.00 64.86 65.69 1oz0 h ILE 239 Cb 0.62 0.67 -0.09 0.00 -0.74 0.00 0.00 36.82 37.28 1oz0 h ILE 239 CO 0.12 0.10 0.30 0.78 0.00 0.00 0.00 178.15 179.45 1oz0 h ASN 240 N 0.43 0.27 0.14 1.72 -0.26 -1.93 0.33 115.58 116.28 1oz0 h ASN 240 Ca 0.11 0.11 -0.26 0.00 -0.56 0.00 0.00 56.30 55.70 1oz0 h ASN 240 Cb 0.00 0.09 0.02 0.00 -1.06 0.00 0.00 38.32 37.37 1oz0 h ASN 240 CO -0.02 0.11 -1.07 -0.07 -1.06 0.00 0.00 177.43 175.32 1oz0 h LEU 241 N 0.44 0.79 -0.53 1.61 3.38 -1.27 0.57 115.31 120.29 1oz0 h LEU 241 Ca 0.41 -0.66 0.08 0.00 0.09 0.00 0.00 57.88 57.80 1oz0 h LEU 241 Cb 0.61 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 1oz0 h LEU 241 CO -0.40 1.46 0.16 0.00 0.09 0.00 0.00 178.44 179.75 1oz0 h ASP 243 N 0.31 0.29 -0.28 0.00 3.32 -0.97 -2.89 116.42 116.21 1oz0 h ASP 243 Ca 0.27 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 1oz0 h ASP 243 Cb 0.33 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1oz0 h ASP 243 CO -0.30 0.66 0.17 0.00 -1.72 0.00 0.00 179.24 178.05 1oz0 h ALA 244 N 0.64 0.36 0.00 3.45 0.00 -0.13 0.28 119.26 123.86 1oz0 h ALA 244 Ca 0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1oz0 h ALA 244 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1oz0 h ALA 244 CO 0.02 -0.15 -0.35 -0.07 0.00 0.00 0.00 179.25 178.70 1oz0 h LEU 245 N 0.36 0.00 0.14 0.00 3.38 -0.44 -0.57 115.31 118.18 1oz0 h LEU 245 Ca 0.10 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 1oz0 h LEU 245 Cb -0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1oz0 h LEU 245 CO -0.02 0.35 -1.13 0.78 0.09 0.00 0.00 178.44 178.51 1oz0 h ASN 246 N 0.00 0.45 -0.93 -0.43 2.35 -1.31 -3.22 115.58 112.49 1oz0 h ASN 246 Ca -0.00 -0.90 0.04 0.00 -0.55 0.00 0.00 56.30 54.88 1oz0 h ASN 246 Cb 0.90 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 39.06 1oz0 h ASN 246 CO 0.05 1.52 0.61 0.00 -1.65 0.00 0.00 177.43 177.95 1oz0 h ALA 247 N 0.02 1.42 -0.23 -0.83 0.00 -0.41 -2.52 119.26 116.73 1oz0 h ALA 247 Ca -0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1oz0 h ALA 247 Cb 1.73 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1oz0 h ALA 247 CO 0.12 0.48 0.13 2.35 0.00 0.00 0.00 179.25 182.32 1oz0 h TRP 248 N 1.15 0.31 -0.95 0.00 2.91 -1.20 -2.16 115.95 116.01 1oz0 h TRP 248 Ca 0.38 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.40 1oz0 h TRP 248 Cb 0.05 -0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 28.55 1oz0 h TRP 248 CO -0.00 0.27 0.63 1.96 -1.03 0.00 0.00 178.44 180.27 1oz0 h GLN 249 N 0.26 1.26 0.92 2.65 4.20 -1.49 0.15 115.11 123.06 1oz0 h GLN 249 Ca 0.08 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1oz0 h GLN 249 Cb 0.06 -0.28 0.01 0.00 0.30 0.00 0.00 27.48 27.56 1oz0 h GLN 249 CO -0.01 0.83 -0.44 1.25 -0.67 0.00 0.00 178.83 179.79 1oz0 h LEU 250 N 1.29 -1.05 -0.66 1.46 6.46 -1.27 0.20 115.31 121.75 1oz0 h LEU 250 Ca 0.35 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 58.17 1oz0 h LEU 250 Cb -0.15 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 1oz0 h LEU 250 CO -0.08 -0.73 0.41 -0.37 -0.62 0.00 0.00 178.44 177.05 1oz0 h VAL 251 N -1.27 1.09 -0.31 1.05 -1.51 -1.19 0.16 116.25 114.28 1oz0 h VAL 251 Ca -0.13 -0.28 0.03 0.00 -1.23 0.00 0.00 66.70 65.09 1oz0 h VAL 251 Cb 0.95 0.21 -0.03 0.00 -2.13 0.00 0.00 31.29 30.29 1oz0 h VAL 251 CO 0.21 0.15 0.12 0.50 -1.23 0.00 0.00 177.57 177.32 1oz0 h LYS 252 N 0.81 0.26 -0.11 5.19 3.64 -0.63 -1.34 116.57 124.39 1oz0 h LYS 252 Ca 0.26 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.52 1oz0 h LYS 252 Cb 0.01 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1oz0 h LYS 252 CO -0.10 0.17 -0.41 0.93 -2.27 0.00 0.00 179.45 177.78 1oz0 h GLU 253 N 0.27 0.25 -0.51 1.90 5.08 -0.46 -1.32 114.58 119.80 1oz0 h GLU 253 Ca 0.13 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1oz0 h GLU 253 Cb 0.09 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1oz0 h GLU 253 CO -0.12 0.62 0.27 1.25 -1.00 0.00 0.00 179.01 180.03 1oz0 h LEU 254 N 0.21 0.65 -0.21 1.33 5.85 -0.14 -1.75 115.31 121.25 1oz0 h LEU 254 Ca 0.02 -0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.51 1oz0 h LEU 254 Cb 0.81 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1oz0 h LEU 254 CO 0.06 0.57 -0.37 0.50 -0.34 0.00 0.00 178.44 178.86 1oz0 h LYS 255 N 0.68 0.62 -0.40 1.25 3.64 -1.06 -2.04 116.57 119.26 1oz0 h LYS 255 Ca 0.18 -0.39 0.04 0.00 -1.27 0.00 0.00 60.65 59.21 1oz0 h LYS 255 Cb 0.08 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1oz0 h LYS 255 CO -0.03 1.00 0.27 1.96 -2.27 0.00 0.00 179.45 180.38 1oz0 h GLN 256 N 0.30 0.39 0.04 1.90 4.20 -1.14 0.62 115.11 121.43 1oz0 h GLN 256 Ca 0.01 -0.02 -0.29 0.00 0.06 0.00 0.00 58.65 58.41 1oz0 h GLN 256 Cb 0.96 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.62 1oz0 h GLN 256 CO 0.08 0.26 -1.58 0.00 -0.67 0.00 0.00 178.83 176.92 1oz0 h ALA 257 N 1.77 0.56 -0.00 3.87 0.00 -1.24 -3.39 119.26 120.82 1oz0 h ALA 257 Ca 0.16 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1oz0 h ALA 257 Cb 0.16 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1oz0 h ALA 257 CO -0.04 1.40 -0.06 1.28 0.00 0.00 0.00 179.25 181.83 1oz0 n LEU 258 N -3.24 0.98 -3.72 0.00 4.77 -0.77 -4.92 117.00 110.10 1oz0 n LEU 258 Ca -0.16 -0.84 -0.24 0.00 -0.03 0.00 0.00 56.01 54.75 1oz0 n LEU 258 Cb 1.03 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.16 1oz0 n LEU 258 CO 0.46 0.21 0.04 0.61 -1.33 0.00 0.00 177.39 177.38 1oz0 n GLY 259 N 0.53 -0.38 3.09 -0.72 0.00 0.22 -5.01 105.19 102.91 1oz0 n GLY 259 Ca 0.02 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.49 0.02 0.32 -0.61 1.01 -1.26 -5.08 121.20 112.11 1oz0 s ILE 260 Ca 0.26 -0.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.50 1oz0 s ILE 260 Cb -0.13 -0.32 -0.13 0.00 0.01 0.00 0.00 42.46 41.89 1oz0 s ILE 260 CO 0.80 -0.08 0.92 -2.65 0.00 0.00 0.00 174.94 173.94 1oz0 n PRO 261 N 2.64 1.18 -4.10 2.79 -0.02 -1.26 -4.38 135.00 131.84 1oz0 n PRO 261 Ca -0.15 0.42 -0.13 0.00 -2.02 0.00 0.00 63.50 61.61 1oz0 n PRO 261 Cb 0.58 -1.79 -0.11 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.15 0.76 0.26 3.55 0.00 -1.26 0.34 121.76 124.27 1oz0 s ALA 262 Ca 0.60 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1oz0 s ALA 262 Cb -0.68 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1oz0 s ALA 262 CO 0.59 -0.03 0.14 0.00 0.00 0.00 0.00 175.76 176.46 1oz0 s ALA 263 N -1.78 1.64 -0.21 0.00 0.00 0.17 -0.96 121.76 120.61 1oz0 s ALA 263 Ca -0.04 -1.79 -0.27 0.00 0.00 0.00 0.00 51.96 49.86 1oz0 s ALA 263 Cb -0.07 1.22 0.08 0.00 0.00 0.00 0.00 23.12 24.35 1oz0 s ALA 263 CO -0.00 -0.53 0.75 0.00 0.00 0.00 0.00 175.76 175.98 1oz0 s ALA 264 N -3.81 -1.80 -0.35 0.00 0.00 -1.02 -1.49 121.76 113.28 1oz0 s ALA 264 Ca 0.38 1.81 -0.05 0.00 0.00 0.00 0.00 51.96 54.11 1oz0 s ALA 264 Cb 0.06 -0.88 0.06 0.00 0.00 0.00 0.00 23.12 22.36 1oz0 s ALA 264 CO 0.15 -0.34 0.10 0.45 0.00 0.00 0.00 175.76 176.13 1oz0 s SER 265 N -0.10 5.20 -0.07 0.00 0.15 -0.05 -2.37 113.70 116.47 1oz0 s SER 265 Ca -0.03 -1.38 -0.11 0.00 0.70 0.00 0.00 55.95 55.14 1oz0 s SER 265 Cb -0.04 -1.82 -0.05 0.00 -1.71 0.00 0.00 66.02 62.41 1oz0 s SER 265 CO 0.03 -0.36 0.26 -0.36 1.20 0.00 0.00 173.24 174.01 1oz0 s PHE 266 N 1.31 3.66 -0.10 3.44 0.40 0.82 0.17 117.98 127.68 1oz0 s PHE 266 Ca -0.01 0.74 -0.04 0.00 -0.60 0.00 0.00 56.93 57.03 1oz0 s PHE 266 Cb -0.21 -2.11 0.05 0.00 0.51 0.00 0.00 43.02 41.27 1oz0 s PHE 266 CO 0.00 0.69 0.20 0.21 0.70 0.00 0.00 175.22 177.02 1oz0 s LYS 267 N -1.03 0.10 -1.31 0.44 2.47 -0.30 0.03 119.74 120.14 1oz0 s LYS 267 Ca 0.19 0.59 -0.01 0.00 -1.56 0.00 0.00 55.97 55.18 1oz0 s LYS 267 Cb -0.14 -0.16 0.01 0.00 -1.46 0.00 0.00 37.83 36.07 1oz0 s LYS 267 CO 0.08 -0.26 0.75 0.72 0.16 0.00 0.00 175.35 176.80 1oz0 n HIS 268 N 5.03 -1.97 -2.52 4.03 8.25 -1.26 -2.56 115.22 124.23 1oz0 n HIS 268 Ca -0.11 0.86 -0.20 0.00 -0.26 0.00 0.00 57.72 58.01 1oz0 n HIS 268 Cb 0.50 -4.44 -0.00 0.00 1.12 0.00 0.00 29.99 27.17 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 -4.29 -1.06 -3.81 1.59 0.31 -1.26 -4.94 118.33 104.86 1oz0 n VAL 269 Ca -0.28 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 63.94 1oz0 n VAL 269 Cb 0.67 -2.81 -0.09 0.00 -0.91 0.00 0.00 33.84 30.70 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 -2.15 -0.07 -0.02 4.52 0.01 -1.06 -4.23 113.70 110.70 1oz0 s SER 270 Ca 0.05 -0.12 -0.30 0.00 1.31 0.00 0.00 55.95 56.89 1oz0 s SER 270 Cb -0.02 0.27 -0.05 0.00 0.21 0.00 0.00 66.02 66.43 1oz0 s SER 270 CO 0.06 -0.46 1.34 -2.16 0.41 0.00 0.00 173.24 172.43 1oz0 s PRO 271 N -1.67 4.31 0.12 12.44 0.04 -1.26 -1.15 135.00 147.83 1oz0 s PRO 271 Ca -0.12 1.87 0.12 0.00 0.04 0.00 0.00 61.00 62.92 1oz0 s PRO 271 Cb -0.05 -3.56 -0.12 0.00 0.04 0.00 0.00 34.50 30.81 1oz0 s PRO 271 CO 0.01 -0.53 1.12 0.00 0.04 0.00 0.00 177.00 177.64 1oz0 h ALA 272 N 7.70 0.58 -2.11 8.56 0.00 0.14 -3.47 119.26 130.67 1oz0 h ALA 272 Ca -0.37 -0.87 0.21 0.00 0.00 0.00 0.00 54.91 53.88 1oz0 h ALA 272 Cb 1.17 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1oz0 h ALA 272 CO 0.89 1.06 0.57 0.20 0.00 0.00 0.00 179.25 181.98 1oz0 s GLY 273 N -4.73 -0.30 -0.25 0.00 0.00 -1.13 -4.28 107.32 96.64 1oz0 s GLY 273 Ca -0.00 0.41 -0.29 0.00 0.00 0.00 0.00 44.72 44.83 1oz0 s GLY 273 CO 0.80 0.09 1.24 0.00 0.00 0.00 0.00 173.10 175.22 1oz0 s ALA 274 N -3.05 -2.06 0.09 3.20 0.00 -1.25 -0.87 121.76 117.82 1oz0 s ALA 274 Ca 0.12 1.79 -0.27 0.00 0.00 0.00 0.00 51.96 53.59 1oz0 s ALA 274 Cb 0.00 -1.27 0.08 0.00 0.00 0.00 0.00 23.12 21.93 1oz0 s ALA 274 CO -0.01 -0.25 1.05 0.00 0.00 0.00 0.00 175.76 176.55 1oz0 s ALA 275 N -0.97 -1.83 0.19 0.00 0.00 -0.56 -1.60 121.76 116.99 1oz0 s ALA 275 Ca 0.05 0.35 0.05 0.00 0.00 0.00 0.00 51.96 52.42 1oz0 s ALA 275 Cb -0.01 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 1oz0 s ALA 275 CO -0.05 -1.02 0.21 0.14 0.00 0.00 0.00 175.76 175.03 1oz0 s VAL 276 N -3.02 4.73 0.00 0.00 -7.23 -0.95 -0.65 120.40 113.28 1oz0 s VAL 276 Ca 0.12 -1.07 -0.01 0.00 -1.81 0.00 0.00 61.98 59.21 1oz0 s VAL 276 Cb 0.00 -3.47 -0.05 0.00 0.56 0.00 0.00 36.38 33.42 1oz0 s VAL 276 CO -0.00 -0.19 1.09 0.61 -0.31 0.00 0.00 175.10 176.30 1oz0 n GLY 277 N -0.71 1.38 3.68 2.32 0.00 0.15 -4.48 105.19 107.53 1oz0 n GLY 277 Ca -0.08 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 2.56 3.94 0.41 -0.61 1.01 -1.26 -4.72 121.20 122.53 1oz0 s ILE 278 Ca 0.13 1.28 -0.25 0.00 0.00 0.00 0.00 60.65 61.80 1oz0 s ILE 278 Cb 0.06 -3.82 -0.10 0.00 0.01 0.00 0.00 42.46 38.60 1oz0 s ILE 278 CO 0.00 -0.02 1.15 -0.81 0.00 0.00 0.00 174.94 175.27 1oz0 n PRO 279 N 5.52 1.67 -3.77 2.79 -0.04 -1.26 -4.82 135.00 135.09 1oz0 n PRO 279 Ca 0.13 0.60 -0.27 0.00 -0.04 0.00 0.00 63.50 63.91 1oz0 n PRO 279 Cb 0.45 -2.22 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 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 -1.10 4.26 0.58 1.53 1.02 -1.26 -5.11 118.68 118.59 1oz0 s LEU 280 Ca 0.62 0.34 -0.01 0.00 0.02 0.00 0.00 54.13 55.10 1oz0 s LEU 280 Cb -0.54 -3.10 0.03 0.00 0.02 0.00 0.00 46.19 42.61 1oz0 s LEU 280 CO 0.58 -0.01 0.82 -0.94 0.02 0.00 0.00 176.35 176.82 1oz0 s SER 281 N -3.15 5.25 0.39 2.29 1.04 -1.26 -4.82 113.70 113.44 1oz0 s SER 281 Ca 0.37 0.17 0.07 0.00 0.48 0.00 0.00 55.95 57.04 1oz0 s SER 281 Cb -0.11 -1.05 0.81 0.00 0.10 0.00 0.00 66.02 65.78 1oz0 s SER 281 CO 0.29 -1.19 2.01 -0.33 0.98 0.00 0.00 173.24 174.99 1oz0 h GLU 282 N -0.06 0.63 0.01 4.02 5.08 -1.99 0.33 114.58 122.61 1oz0 h GLU 282 Ca -0.43 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1oz0 h GLU 282 Cb 1.29 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1oz0 h GLU 282 CO 0.55 0.42 -0.01 0.93 -1.00 0.00 0.00 179.01 179.90 1oz0 h GLU 283 N 0.65 -0.02 -0.61 2.33 5.08 -1.99 0.59 114.58 120.62 1oz0 h GLU 283 Ca 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1oz0 h GLU 283 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1oz0 h GLU 283 CO -0.06 0.27 0.33 1.49 -1.00 0.00 0.00 179.01 180.04 1oz0 h GLU 284 N -0.30 0.85 -0.84 2.33 4.57 -1.74 -0.15 114.58 119.30 1oz0 h GLU 284 Ca -0.00 -0.10 0.09 0.00 -1.18 0.00 0.00 59.36 58.16 1oz0 h GLU 284 Cb 0.29 -0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 28.66 1oz0 h GLU 284 CO 0.00 0.65 0.55 0.00 -1.18 0.00 0.00 179.01 179.03 1oz0 h ALA 285 N 1.15 1.67 -0.36 2.92 0.00 -0.23 0.36 119.26 124.77 1oz0 h ALA 285 Ca 0.21 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1oz0 h ALA 285 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1oz0 h ALA 285 CO -0.03 0.17 0.00 0.37 0.00 0.00 0.00 179.25 179.76 1oz0 h GLN 286 N 0.84 0.64 -0.61 0.00 5.75 0.54 0.66 115.11 122.93 1oz0 h GLN 286 Ca 0.38 -0.20 -0.05 0.00 -0.15 0.00 0.00 58.65 58.63 1oz0 h GLN 286 Cb 0.38 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 1oz0 h GLN 286 CO -0.15 0.75 0.17 0.28 -2.65 0.00 0.00 178.83 177.23 1oz0 h VAL 287 N 0.45 1.25 0.00 2.39 2.07 0.26 -1.08 116.25 121.58 1oz0 h VAL 287 Ca 0.10 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1oz0 h VAL 287 Cb 0.46 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1oz0 h VAL 287 CO 0.02 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.93 1oz0 n MET 289 N -0.93 -5.86 -1.06 0.00 0.00 0.09 -4.86 117.12 104.51 1oz0 n MET 289 Ca 0.19 0.69 0.02 0.00 0.00 0.00 0.00 57.70 58.61 1oz0 n MET 289 Cb 0.09 -5.49 0.02 0.00 0.00 0.00 0.00 33.22 27.83 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 -4.45 0.06 0.18 2.03 0.24 0.21 -4.89 118.33 111.71 1oz0 n VAL 290 Ca -0.18 -0.64 0.04 0.00 -2.04 0.00 0.00 64.34 61.52 1oz0 n VAL 290 Cb 0.62 0.76 0.44 0.00 -1.47 0.00 0.00 33.84 34.19 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 0.58 0.07 0.00 6.34 6.17 -1.80 -1.87 115.15 124.64 1oz0 h HIS 291 Ca -0.13 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 60.94 1oz0 h HIS 291 Cb 1.67 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 31.58 1oz0 h HIS 291 CO 0.15 0.28 0.00 -0.40 0.71 0.00 0.00 177.93 178.68 1oz0 n ASP 292 N -4.26 0.42 -0.16 3.26 5.75 -1.26 -2.50 116.55 117.80 1oz0 n ASP 292 Ca -0.02 0.60 0.02 0.00 -0.01 0.00 0.00 54.79 55.38 1oz0 n ASP 292 Cb 0.29 -0.69 0.03 0.00 -1.03 0.00 0.00 41.12 39.72 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 -1.96 1.96 -0.40 -2.12 4.77 -0.76 -4.84 117.00 113.66 1oz0 n LEU 293 Ca 0.03 -1.70 -0.06 0.00 -0.03 0.00 0.00 56.01 54.25 1oz0 n LEU 293 Cb 0.22 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1oz0 n LEU 293 CO 0.18 0.48 0.52 1.57 -1.33 0.00 0.00 177.39 178.82 1oz0 n HIS 294 N -0.10 -0.20 0.29 -1.77 -0.00 -0.86 -1.24 115.22 111.34 1oz0 n HIS 294 Ca 0.03 1.22 0.17 0.00 0.46 0.00 0.00 57.72 59.60 1oz0 n HIS 294 Cb 0.23 -0.72 0.85 0.00 -0.12 0.00 0.00 29.99 30.23 1oz0 n HIS 294 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 1oz0 h LYS 295 N 0.00 0.00 -0.01 1.57 1.79 -1.88 -2.50 116.57 115.54 1oz0 h LYS 295 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1oz0 h LYS 295 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1oz0 h LYS 295 CO -0.95 0.00 -0.52 0.25 -1.08 0.00 0.00 179.45 177.15 1oz0 n THR 296 N -2.78 0.00 -1.84 -0.16 -2.24 -0.38 -4.97 114.28 101.91 1oz0 n THR 296 Ca -0.01 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1oz0 n THR 296 Cb 0.14 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 1oz0 n THR 296 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1oz0 s LEU 297 N -2.54 4.38 0.48 3.22 1.43 -0.94 -4.78 118.68 119.92 1oz0 s LEU 297 Ca 0.18 2.64 0.04 0.00 -1.03 0.00 0.00 54.13 55.96 1oz0 s LEU 297 Cb 0.18 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.84 1oz0 s LEU 297 CO 0.60 -0.92 0.67 0.42 0.23 0.00 0.00 176.35 177.35 1oz0 s THR 298 N 2.15 3.03 0.29 5.49 -4.23 -1.26 -4.87 115.64 116.25 1oz0 s THR 298 Ca 0.75 -0.79 0.03 0.00 -1.18 0.00 0.00 61.69 60.50 1oz0 s THR 298 Cb -0.44 -3.08 0.29 0.00 1.34 0.00 0.00 72.50 70.61 1oz0 s THR 298 CO 0.33 -0.05 1.83 -0.65 -0.54 0.00 0.00 174.62 175.55 1oz0 h PRO 299 N 0.37 0.91 -0.37 3.99 0.11 -1.95 -0.12 132.00 134.93 1oz0 h PRO 299 Ca -0.42 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1oz0 h PRO 299 Cb 1.28 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1oz0 h PRO 299 CO 0.50 0.60 -0.04 1.25 -0.21 0.00 0.00 178.00 180.10 1oz0 h LEU 300 N 0.94 0.68 -1.07 2.35 5.85 -1.89 -1.17 115.31 121.00 1oz0 h LEU 300 Ca 0.50 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1oz0 h LEU 300 Cb 0.56 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1oz0 h LEU 300 CO -0.27 0.85 0.63 0.00 -0.34 0.00 0.00 178.44 179.31 1oz0 h ALA 301 N 0.85 1.32 -0.56 1.25 0.00 -1.67 -1.89 119.26 118.56 1oz0 h ALA 301 Ca 0.10 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1oz0 h ALA 301 Cb 0.53 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1oz0 h ALA 301 CO 0.03 0.63 -0.03 0.77 0.00 0.00 0.00 179.25 180.64 1oz0 h SER 302 N 1.29 0.98 -0.26 0.00 0.02 -0.85 -2.09 113.55 112.64 1oz0 h SER 302 Ca 0.35 -0.29 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1oz0 h SER 302 Cb -0.15 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.09 1oz0 h SER 302 CO -0.08 1.05 -0.00 0.00 -1.14 0.00 0.00 176.83 176.67 1oz0 h ALA 303 N 1.04 0.23 -0.34 3.77 0.00 -0.44 -0.50 119.26 123.02 1oz0 h ALA 303 Ca 0.16 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1oz0 h ALA 303 Cb 0.57 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1oz0 h ALA 303 CO 0.03 -0.42 -0.10 -0.92 0.00 0.00 0.00 179.25 177.85 1oz0 h TYR 304 N 0.08 0.75 -0.66 0.00 3.20 -1.26 -1.09 116.97 118.00 1oz0 h TYR 304 Ca 0.12 -0.17 0.06 0.00 3.14 0.00 0.00 58.73 61.88 1oz0 h TYR 304 Cb 0.16 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 1oz0 h TYR 304 CO -0.20 0.84 0.43 0.00 -1.64 0.00 0.00 178.16 177.59 1oz0 h ALA 305 N 0.80 1.74 -0.11 1.82 0.00 -1.12 0.13 119.26 122.52 1oz0 h ALA 305 Ca 0.08 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1oz0 h ALA 305 Cb 0.60 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1oz0 h ALA 305 CO 0.04 0.17 -0.31 0.00 0.00 0.00 0.00 179.25 179.14 1oz0 h ARG 306 N 0.69 0.40 -0.68 0.00 3.08 -0.88 -1.01 114.38 115.98 1oz0 h ARG 306 Ca 0.28 -0.29 0.11 0.00 0.07 0.00 0.00 59.98 60.15 1oz0 h ARG 306 Cb 0.23 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.25 1oz0 h ARG 306 CO -0.09 0.91 0.29 0.77 -1.07 0.00 0.00 179.97 180.78 1oz0 h SER 307 N -0.03 0.31 1.43 7.04 0.02 -0.08 0.47 113.55 122.72 1oz0 h SER 307 Ca -0.01 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1oz0 h SER 307 Cb 0.93 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1oz0 h SER 307 CO 0.07 0.17 0.00 -1.14 -1.14 0.00 0.00 176.83 174.78 1oz0 n ARG 308 N -4.96 0.25 0.20 3.45 0.63 0.35 -3.64 116.66 112.94 1oz0 n ARG 308 Ca 0.11 0.21 0.09 0.00 -0.92 0.00 0.00 57.85 57.34 1oz0 n ARG 308 Cb 0.31 -1.79 0.19 0.00 0.45 0.00 0.00 32.46 31.62 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 4.48 0.00 0.01 5.14 0.00 0.50 -3.35 103.07 109.85 1oz0 h GLY 309 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1oz0 h GLY 309 CO 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.50 1oz0 h ALA 310 N 1.80 -0.61 -3.18 3.60 0.00 -1.57 -3.40 119.26 115.90 1oz0 h ALA 310 Ca -0.00 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 1oz0 h ALA 310 Cb 1.07 0.46 -0.40 0.00 0.00 0.00 0.00 17.79 18.92 1oz0 h ALA 310 CO 0.03 -0.61 -0.76 0.34 0.00 0.00 0.00 179.25 178.24 1oz0 s ASP 311 N -2.58 3.60 0.26 0.00 -1.08 -1.26 -4.69 116.67 110.93 1oz0 s ASP 311 Ca -0.01 -1.31 -0.01 0.00 -0.52 0.00 0.00 52.55 50.70 1oz0 s ASP 311 Cb 0.00 -0.74 0.52 0.00 -1.46 0.00 0.00 42.92 41.25 1oz0 s ASP 311 CO 0.04 -0.37 1.78 0.03 0.52 0.00 0.00 175.17 177.17 1oz0 h ARG 312 N 8.16 0.70 -0.51 4.34 2.47 -1.79 -2.06 114.38 125.70 1oz0 h ARG 312 Ca -0.15 -0.04 -0.11 0.00 -1.26 0.00 0.00 59.98 58.41 1oz0 h ARG 312 Cb 1.05 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 29.20 1oz0 h ARG 312 CO 0.42 0.47 -0.14 1.98 0.56 0.00 0.00 179.97 183.26 1oz0 h MET 313 N 0.73 0.96 -0.05 0.04 4.05 -1.95 -2.46 114.93 116.25 1oz0 h MET 313 Ca 0.46 -0.36 -0.10 0.00 -0.28 0.00 0.00 59.70 59.42 1oz0 h MET 313 Cb 0.59 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 1oz0 h MET 313 CO -0.32 1.03 -0.42 0.77 0.23 0.00 0.00 176.91 178.20 1oz0 h SER 314 N 0.85 0.12 1.21 1.39 0.02 -1.80 -2.94 113.55 112.40 1oz0 h SER 314 Ca 0.13 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1oz0 h SER 314 Cb 0.69 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1oz0 h SER 314 CO 0.05 0.53 -0.24 -1.20 -1.14 0.00 0.00 176.83 174.83 1oz0 n SER 315 N -4.03 0.73 -4.59 3.07 7.64 -0.89 -4.58 113.62 110.98 1oz0 n SER 315 Ca -0.02 0.38 -0.41 0.00 1.01 0.00 0.00 58.87 59.83 1oz0 n SER 315 Cb 0.47 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1oz0 n SER 315 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1oz0 s PHE 316 N -3.12 1.25 0.00 1.43 2.19 -0.94 -0.32 117.98 118.47 1oz0 s PHE 316 Ca 0.09 0.79 0.00 0.00 0.33 0.00 0.00 56.93 58.14 1oz0 s PHE 316 Cb 0.13 -3.88 0.00 0.00 -1.31 0.00 0.00 43.02 37.96 1oz0 s PHE 316 CO 0.64 -3.53 0.00 0.41 1.83 0.00 0.00 175.22 174.57 1oz0 n GLY 317 N 5.77 0.77 3.71 13.12 0.00 0.49 -4.99 105.19 124.07 1oz0 n GLY 317 Ca 0.30 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.28 3.32 -0.09 1.61 -4.77 0.57 -4.08 116.67 110.95 1oz0 s ASP 318 Ca 0.00 1.39 0.01 0.00 -3.30 0.00 0.00 52.55 50.64 1oz0 s ASP 318 Cb 0.00 -2.06 -0.02 0.00 -1.09 0.00 0.00 42.92 39.74 1oz0 s ASP 318 CO 0.00 -2.72 -0.10 0.12 0.70 0.00 0.00 175.17 173.17 1oz0 s PHE 319 N -2.97 2.85 -0.09 2.11 2.19 0.10 -0.67 117.98 121.50 1oz0 s PHE 319 Ca 0.64 -0.23 -0.04 0.00 0.33 0.00 0.00 56.93 57.63 1oz0 s PHE 319 Cb -0.18 -1.75 -0.04 0.00 -1.31 0.00 0.00 43.02 39.75 1oz0 s PHE 319 CO 0.57 0.11 0.07 0.42 1.83 0.00 0.00 175.22 178.22 1oz0 s ILE 320 N -0.36 4.87 -0.08 3.12 1.01 0.25 -0.13 121.20 129.89 1oz0 s ILE 320 Ca 0.04 -0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.67 1oz0 s ILE 320 Cb -0.12 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1oz0 s ILE 320 CO 0.02 0.59 -0.21 0.00 0.00 0.00 0.00 174.94 175.34 1oz0 s ALA 321 N -0.98 1.95 -0.09 9.38 0.00 -1.00 0.42 121.76 131.45 1oz0 s ALA 321 Ca 0.15 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.29 1oz0 s ALA 321 Cb -0.12 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1oz0 s ALA 321 CO 0.04 0.28 -0.21 -0.51 0.00 0.00 0.00 175.76 175.36 1oz0 s LEU 322 N 0.29 1.97 0.14 0.00 1.43 0.10 -2.44 118.68 120.18 1oz0 s LEU 322 Ca -0.14 -0.48 0.24 0.00 -1.03 0.00 0.00 54.13 52.72 1oz0 s LEU 322 Cb -0.16 -1.24 0.92 0.00 0.03 0.00 0.00 46.19 45.73 1oz0 s LEU 322 CO 0.07 0.13 1.74 -1.54 0.23 0.00 0.00 176.35 176.98 1oz0 n SER 323 N 3.53 0.47 -4.25 2.29 3.41 -0.14 -4.17 113.62 114.76 1oz0 n SER 323 Ca -0.20 0.57 -0.14 0.00 -0.26 0.00 0.00 58.87 58.85 1oz0 n SER 323 Cb 0.53 -0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 63.69 1oz0 n SER 323 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1oz0 s ASP 324 N -3.88 0.72 -0.06 4.04 1.01 -1.26 -4.73 116.67 112.51 1oz0 s ASP 324 Ca 0.09 -1.35 -0.37 0.00 0.71 0.00 0.00 52.55 51.63 1oz0 s ASP 324 Cb 0.12 0.25 -0.15 0.00 1.01 0.00 0.00 42.92 44.16 1oz0 s ASP 324 CO 0.47 -0.76 1.60 -0.38 0.21 0.00 0.00 175.17 176.32 1oz0 n ILE 325 N -0.34 0.20 -1.87 0.77 5.41 -1.26 -4.46 119.36 117.81 1oz0 n ILE 325 Ca -0.00 -0.04 -0.42 0.00 1.00 0.00 0.00 62.75 63.29 1oz0 n ILE 325 Cb 0.66 -1.23 -0.03 0.00 -0.71 0.00 0.00 39.64 38.32 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 1.47 4.93 0.11 0.00 1.47 -1.26 -2.28 116.67 121.11 1oz0 s ASP 327 Ca 0.72 -0.99 -0.13 0.00 1.18 0.00 0.00 52.55 53.33 1oz0 s ASP 327 Cb -0.45 0.39 -0.09 0.00 -0.34 0.00 0.00 42.92 42.43 1oz0 s ASP 327 CO 0.32 -1.30 1.40 0.58 0.68 0.00 0.00 175.17 176.85 1oz0 h VAL 328 N 0.33 1.29 -0.95 2.11 2.07 -1.95 -1.00 116.25 118.16 1oz0 h VAL 328 Ca -0.31 -1.61 0.02 0.00 0.82 0.00 0.00 66.70 65.62 1oz0 h VAL 328 Cb 1.29 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.64 1oz0 h VAL 328 CO 0.45 0.52 0.62 -0.65 0.02 0.00 0.00 177.57 178.54 1oz0 h PRO 329 N 0.56 1.19 -0.05 1.57 0.11 -1.97 0.32 132.00 133.74 1oz0 h PRO 329 Ca 0.03 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1oz0 h PRO 329 Cb 1.02 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1oz0 h PRO 329 CO 0.10 0.79 0.01 1.15 -0.21 0.00 0.00 178.00 179.84 1oz0 h THR 330 N 1.23 1.22 -0.71 -1.15 2.02 -1.89 -2.67 112.91 110.97 1oz0 h THR 330 Ca 0.36 -0.67 0.07 0.00 0.77 0.00 0.00 66.41 66.94 1oz0 h THR 330 Cb -0.06 1.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 1oz0 h THR 330 CO -0.10 0.18 0.40 0.00 0.37 0.00 0.00 175.52 176.37 1oz0 h ALA 331 N 0.75 0.96 -0.35 6.16 0.00 -0.71 -1.95 119.26 124.12 1oz0 h ALA 331 Ca 0.02 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1oz0 h ALA 331 Cb 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1oz0 h ALA 331 CO 0.00 0.07 0.10 0.87 0.00 0.00 0.00 179.25 180.29 1oz0 h LYS 332 N 0.72 0.23 -0.08 0.00 1.57 -0.27 0.74 116.57 119.47 1oz0 h LYS 332 Ca 0.32 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1oz0 h LYS 332 Cb 0.22 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1oz0 h LYS 332 CO -0.20 0.15 0.02 0.82 -0.57 0.00 0.00 179.45 179.68 1oz0 h ILE 333 N 0.23 0.97 -0.86 1.86 2.04 -1.02 -2.63 117.51 118.10 1oz0 h ILE 333 Ca 0.16 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 1oz0 h ILE 333 Cb 0.16 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1oz0 h ILE 333 CO -0.19 0.01 0.48 0.40 0.00 0.00 0.00 178.15 178.85 1oz0 h ILE 334 N 0.06 1.25 -1.00 -0.67 2.04 -1.13 -2.76 117.51 115.30 1oz0 h ILE 334 Ca 0.04 -0.61 0.23 0.00 1.00 0.00 0.00 64.86 65.52 1oz0 h ILE 334 Cb 0.02 0.08 -0.09 0.00 -0.74 0.00 0.00 36.82 36.10 1oz0 h ILE 334 CO -0.04 0.28 0.64 -1.28 0.00 0.00 0.00 178.15 177.74 1oz0 h SER 335 N 1.20 0.51 -0.61 1.72 0.87 -0.47 -0.04 113.55 116.73 1oz0 h SER 335 Ca 0.30 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1oz0 h SER 335 Cb 0.02 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1oz0 h SER 335 CO -0.05 0.15 0.00 -2.11 -0.53 0.00 0.00 176.83 174.29 1oz0 n ARG 336 N -4.63 2.46 -4.30 2.24 1.85 -1.05 -4.91 116.66 108.34 1oz0 n ARG 336 Ca 0.23 -2.27 -0.25 0.00 -1.00 0.00 0.00 57.85 54.56 1oz0 n ARG 336 Cb 0.77 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.59 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 -1.19 2.15 -0.53 2.89 0.41 -0.03 -5.03 118.70 117.37 1oz0 s GLU 337 Ca 0.42 -1.34 -0.25 0.00 -0.41 0.00 0.00 54.97 53.39 1oz0 s GLU 337 Cb 0.22 -2.15 0.04 0.00 -1.78 0.00 0.00 34.13 30.46 1oz0 s GLU 337 CO 0.29 0.40 0.96 0.08 -0.49 0.00 0.00 175.26 176.51 1oz0 s VAL 338 N -1.99 4.38 0.15 2.63 1.01 -1.26 -4.95 120.40 120.37 1oz0 s VAL 338 Ca 0.28 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.76 1oz0 s VAL 338 Cb -0.08 -4.53 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 1oz0 s VAL 338 CO 0.17 -1.05 -0.03 -0.55 0.00 0.00 0.00 175.10 173.64 1oz0 s SER 339 N 2.68 1.27 -0.01 3.32 0.15 -1.26 -0.38 113.70 119.46 1oz0 s SER 339 Ca 0.34 -1.11 0.13 0.00 0.70 0.00 0.00 55.95 56.00 1oz0 s SER 339 Cb -0.11 0.10 -0.19 0.00 -1.71 0.00 0.00 66.02 64.10 1oz0 s SER 339 CO 0.22 -0.52 0.36 0.47 1.20 0.00 0.00 173.24 174.98 1oz0 n ASP 340 N -0.19 1.58 0.00 5.45 8.00 0.15 -4.83 116.55 126.71 1oz0 n ASP 340 Ca -0.08 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1oz0 n ASP 340 Cb 0.62 1.44 0.00 0.00 -0.02 0.00 0.00 41.12 43.17 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 1.62 0.88 3.16 0.44 0.00 -1.24 -3.32 105.19 106.73 1oz0 n GLY 341 Ca -0.01 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 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 0.12 -0.03 1.61 0.11 -0.77 0.88 120.40 120.32 1oz0 s VAL 342 Ca 0.00 -0.98 0.02 0.00 -2.93 0.00 0.00 61.98 58.09 1oz0 s VAL 342 Cb 0.00 -0.93 0.01 0.00 -1.53 0.00 0.00 36.38 33.93 1oz0 s VAL 342 CO 0.00 -0.54 -0.07 0.54 -3.33 0.00 0.00 175.10 171.70 1oz0 s VAL 343 N -2.64 0.67 0.23 2.04 0.11 0.17 -0.71 120.40 120.26 1oz0 s VAL 343 Ca -0.05 -0.28 -0.16 0.00 -2.93 0.00 0.00 61.98 58.56 1oz0 s VAL 343 Cb -0.01 -0.61 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 1oz0 s VAL 343 CO -0.04 0.22 0.53 0.00 -3.33 0.00 0.00 175.10 172.48 1oz0 s ALA 344 N 0.32 -0.72 -0.41 1.54 0.00 -0.85 -0.72 121.76 120.93 1oz0 s ALA 344 Ca -0.05 -0.48 0.26 0.00 0.00 0.00 0.00 51.96 51.70 1oz0 s ALA 344 Cb -0.09 0.92 0.94 0.00 0.00 0.00 0.00 23.12 24.89 1oz0 s ALA 344 CO 0.00 -0.86 1.78 -1.00 0.00 0.00 0.00 175.76 175.69 1oz0 h PRO 345 N 2.20 0.00 0.00 0.00 0.13 -1.73 -0.42 132.00 132.19 1oz0 h PRO 345 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1oz0 h PRO 345 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1oz0 h PRO 345 CO 0.35 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.53 1oz0 n GLY 346 N 0.49 0.40 2.91 1.56 0.00 -1.26 -4.59 105.19 104.70 1oz0 n GLY 346 Ca 0.03 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 0.22 0.32 1.61 1.51 -1.26 -0.76 117.35 117.00 1oz0 s TYR 347 Ca 0.00 -0.04 -0.28 0.00 -1.01 0.00 0.00 57.07 55.74 1oz0 s TYR 347 Cb 0.00 -0.15 -0.10 0.00 -0.11 0.00 0.00 41.96 41.61 1oz0 s TYR 347 CO 0.00 -0.01 1.19 -1.21 -1.11 0.00 0.00 175.55 174.42 1oz0 s GLU 348 N -0.04 4.42 0.56 -0.62 2.02 -0.97 -4.81 118.70 119.27 1oz0 s GLU 348 Ca 0.01 1.97 0.27 0.00 0.02 0.00 0.00 54.97 57.24 1oz0 s GLU 348 Cb -0.01 -3.05 1.48 0.00 0.10 0.00 0.00 34.13 32.65 1oz0 s GLU 348 CO -0.00 -0.04 1.99 1.05 0.02 0.00 0.00 175.26 178.28 1oz0 h GLU 349 N 3.43 0.00 -0.05 1.61 9.09 -1.98 0.16 114.58 126.83 1oz0 h GLU 349 Ca -0.48 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 58.87 1oz0 h GLU 349 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1oz0 h GLU 349 CO 0.65 0.00 -0.20 1.49 0.05 0.00 0.00 179.01 181.00 1oz0 h GLU 350 N 0.00 0.22 -0.67 1.06 4.22 -1.96 -2.42 114.58 115.04 1oz0 h GLU 350 Ca 0.20 -0.18 -0.03 0.00 0.08 0.00 0.00 59.36 59.44 1oz0 h GLU 350 Cb 0.94 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 1oz0 h GLU 350 CO -0.00 0.82 0.28 0.00 -2.18 0.00 0.00 179.01 177.93 1oz0 h ALA 351 N 0.41 1.25 -0.01 2.92 0.00 -1.42 -1.61 119.26 120.80 1oz0 h ALA 351 Ca -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1oz0 h ALA 351 Cb 0.85 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1oz0 h ALA 351 CO 0.04 0.56 -0.29 1.25 0.00 0.00 0.00 179.25 180.81 1oz0 h LEU 352 N 0.95 0.01 -0.57 0.00 5.85 -0.75 0.04 115.31 120.84 1oz0 h LEU 352 Ca 0.23 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.79 1oz0 h LEU 352 Cb 0.15 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1oz0 h LEU 352 CO -0.02 0.31 -0.69 0.11 -0.34 0.00 0.00 178.44 177.80 1oz0 h LYS 353 N 0.01 0.15 0.16 1.25 1.57 -0.80 -1.01 116.57 117.90 1oz0 h LYS 353 Ca -0.00 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1oz0 h LYS 353 Cb 0.52 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1oz0 h LYS 353 CO 0.04 0.78 -0.08 0.82 -0.57 0.00 0.00 179.45 180.44 1oz0 h ILE 354 N 0.10 0.84 -0.38 1.86 2.04 -0.62 -3.32 117.51 118.03 1oz0 h ILE 354 Ca -0.01 -1.13 0.05 0.00 1.00 0.00 0.00 64.86 64.77 1oz0 h ILE 354 Cb 1.22 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 38.67 1oz0 h ILE 354 CO 0.10 0.22 0.09 -0.07 0.00 0.00 0.00 178.15 178.49 1oz0 h LEU 355 N -0.86 0.05 0.00 1.44 3.38 -1.06 -2.48 115.31 115.78 1oz0 h LEU 355 Ca -0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1oz0 h LEU 355 Cb 0.52 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1oz0 h LEU 355 CO 0.04 0.06 0.00 -1.20 0.09 0.00 0.00 178.44 177.43 1oz0 n SER 356 N -5.07 0.00 -0.01 -0.43 7.64 -0.38 -1.63 113.62 113.73 1oz0 n SER 356 Ca 0.02 -0.05 -0.00 0.00 1.01 0.00 0.00 58.87 59.85 1oz0 n SER 356 Cb 0.16 -0.05 -0.12 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.05 0.65 -1.67 1.43 5.02 -0.93 -4.07 118.16 117.54 1oz0 n LYS 357 Ca 0.02 0.06 -0.44 0.00 -2.02 0.00 0.00 58.31 55.94 1oz0 n LYS 357 Cb 0.01 -1.67 -0.01 0.00 -0.02 0.00 0.00 35.03 33.34 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 -2.71 1.94 -3.35 1.97 5.02 -0.64 -2.32 118.16 118.08 1oz0 n LYS 358 Ca -0.15 0.68 -0.16 0.00 -2.02 0.00 0.00 58.31 56.67 1oz0 n LYS 358 Cb 0.86 -2.24 0.08 0.00 -0.02 0.00 0.00 35.03 33.71 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 1.01 -5.88 -1.66 1.97 5.02 -1.26 -2.10 118.16 115.25 1oz0 n LYS 359 Ca 0.08 0.82 -0.15 0.00 -2.02 0.00 0.00 58.31 57.03 1oz0 n LYS 359 Cb 0.34 -5.72 -0.05 0.00 -0.02 0.00 0.00 35.03 29.58 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 -3.05 -4.08 0.00 4.39 4.13 -1.16 -1.03 115.26 114.47 1oz0 n ASN 360 Ca -0.25 0.32 0.00 0.00 1.68 0.00 0.00 54.58 56.32 1oz0 n ASN 360 Cb 0.66 -3.67 0.00 0.00 -1.54 0.00 0.00 39.78 35.23 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 -0.41 0.73 1.06 7.41 0.00 -0.98 -4.97 105.19 108.03 1oz0 n GLY 361 Ca -0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.07 1.48 3.68 -0.02 0.00 -0.19 -4.52 105.19 103.55 1oz0 n GLY 362 Ca 0.00 -0.70 -0.49 0.00 0.00 0.00 0.00 46.02 44.83 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 1.39 2.26 -2.19 1.61 9.36 -0.89 -4.27 117.16 124.43 1oz0 n TYR 363 Ca 0.17 0.13 -0.42 0.00 3.32 0.00 0.00 57.90 61.10 1oz0 n TYR 363 Cb 0.59 -2.60 -0.03 0.00 -0.63 0.00 0.00 39.34 36.66 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 3.21 1.22 0.18 0.00 1.01 -0.51 -1.85 120.40 123.66 1oz0 s VAL 365 Ca 0.65 -0.46 0.11 0.00 0.00 0.00 0.00 61.98 62.29 1oz0 s VAL 365 Cb -0.30 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1oz0 s VAL 365 CO 0.25 0.36 -0.25 -0.76 0.00 0.00 0.00 175.10 174.71 1oz0 s LEU 366 N 1.62 2.41 -0.10 3.92 1.43 0.11 0.41 118.68 128.48 1oz0 s LEU 366 Ca 0.04 -0.84 0.03 0.00 -1.03 0.00 0.00 54.13 52.34 1oz0 s LEU 366 Cb -0.13 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 1oz0 s LEU 366 CO -0.09 0.13 -0.22 -1.58 0.23 0.00 0.00 176.35 174.82 1oz0 s GLN 367 N -2.52 3.03 -0.09 1.70 0.74 0.51 -2.00 119.66 121.03 1oz0 s GLN 367 Ca 0.19 -0.84 0.02 0.00 0.05 0.00 0.00 55.36 54.78 1oz0 s GLN 367 Cb -0.08 -2.35 -0.02 0.00 1.10 0.00 0.00 33.01 31.66 1oz0 s GLN 367 CO 0.09 0.23 -0.15 1.41 -0.55 0.00 0.00 175.29 176.31 1oz0 s MET 368 N 0.24 2.97 -0.19 1.67 -2.45 -0.17 -0.52 119.30 120.86 1oz0 s MET 368 Ca -0.14 -0.72 -0.29 0.00 -1.25 0.00 0.00 55.69 53.29 1oz0 s MET 368 Cb -0.17 -2.48 -0.03 0.00 1.25 0.00 0.00 34.83 33.40 1oz0 s MET 368 CO 0.07 0.38 1.59 0.34 1.05 0.00 0.00 175.02 178.45 1oz0 s ASP 369 N -0.09 6.47 0.38 1.11 -1.08 0.34 -4.14 116.67 119.66 1oz0 s ASP 369 Ca -0.02 1.73 0.28 0.00 -0.52 0.00 0.00 52.55 54.01 1oz0 s ASP 369 Cb -0.14 -2.53 1.29 0.00 -1.46 0.00 0.00 42.92 40.08 1oz0 s ASP 369 CO 0.04 -1.16 1.83 1.55 0.52 0.00 0.00 175.17 177.95 1oz0 h PRO 370 N 10.32 0.00 0.00 4.34 0.13 -1.90 -2.66 132.00 142.22 1oz0 h PRO 370 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1oz0 h PRO 370 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1oz0 h PRO 370 CO 0.99 0.00 -0.83 0.09 -0.23 0.00 0.00 178.00 178.02 1oz0 n ASN 371 N -2.51 0.73 -4.76 1.44 3.02 -1.26 -4.95 115.26 106.96 1oz0 n ASN 371 Ca 0.00 0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 54.27 1oz0 n ASN 371 Cb 0.17 0.38 -0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1oz0 n ASN 371 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1oz0 n TYR 372 N -2.28 2.84 -4.32 3.10 4.19 -1.01 -5.03 117.16 114.66 1oz0 n TYR 372 Ca 0.02 0.47 -0.21 0.00 3.31 0.00 0.00 57.90 61.48 1oz0 n TYR 372 Cb 0.48 -2.51 -0.16 0.00 0.49 0.00 0.00 39.34 37.64 1oz0 n TYR 372 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1oz0 s GLU 373 N -2.07 1.11 0.50 2.98 0.41 -1.26 -5.07 118.70 115.30 1oz0 s GLU 373 Ca 0.54 -0.21 -0.16 0.00 -0.41 0.00 0.00 54.97 54.72 1oz0 s GLU 373 Cb -0.49 -1.02 -0.08 0.00 -1.78 0.00 0.00 34.13 30.76 1oz0 s GLU 373 CO 0.63 -0.03 0.97 -1.25 -0.49 0.00 0.00 175.26 175.08 1oz0 s PRO 374 N 0.79 3.94 0.79 0.39 0.04 -1.26 -5.04 135.00 134.64 1oz0 s PRO 374 Ca -0.13 0.92 -0.13 0.00 0.04 0.00 0.00 61.00 61.70 1oz0 s PRO 374 Cb -0.15 -2.16 0.07 0.00 0.04 0.00 0.00 34.50 32.31 1oz0 s PRO 374 CO 0.01 -0.25 1.16 -0.51 0.04 0.00 0.00 177.00 177.46 1oz0 s ASP 375 N -3.07 3.95 0.16 6.66 1.01 -1.26 -4.94 116.67 119.19 1oz0 s ASP 375 Ca 0.58 2.18 -0.15 0.00 0.71 0.00 0.00 52.55 55.87 1oz0 s ASP 375 Cb -0.10 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.30 1oz0 s ASP 375 CO 0.31 -2.41 1.83 0.44 0.21 0.00 0.00 175.17 175.54 1oz0 h ASP 376 N -0.88 0.53 -2.92 0.27 5.19 -1.98 -3.45 116.42 113.18 1oz0 h ASP 376 Ca -0.45 -0.01 -0.62 0.00 -0.62 0.00 0.00 57.03 55.32 1oz0 h ASP 376 Cb 1.27 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 40.60 1oz0 h ASP 376 CO 0.48 0.39 -0.44 0.20 -3.12 0.00 0.00 179.24 176.74 1oz0 s ASN 377 N -5.62 6.41 0.10 6.45 0.01 -1.26 0.01 114.94 121.04 1oz0 s ASN 377 Ca -0.13 0.40 0.05 0.00 -0.71 0.00 0.00 52.86 52.47 1oz0 s ASN 377 Cb 0.12 -2.02 -0.03 0.00 0.41 0.00 0.00 41.25 39.72 1oz0 s ASN 377 CO 0.73 0.19 -0.14 -1.83 -1.51 0.00 0.00 177.10 174.55 1oz0 s GLU 378 N -2.23 0.93 0.00 -0.60 -1.05 -0.23 -4.86 118.70 110.66 1oz0 s GLU 378 Ca 0.32 -1.12 0.01 0.00 -0.15 0.00 0.00 54.97 54.04 1oz0 s GLU 378 Cb -0.13 -0.85 -0.00 0.00 -0.44 0.00 0.00 34.13 32.71 1oz0 s GLU 378 CO 0.23 0.17 -0.04 -1.50 0.95 0.00 0.00 175.26 175.06 1oz0 s ILE 379 N -1.81 0.34 0.10 1.83 -1.16 -1.26 -1.70 121.20 117.54 1oz0 s ILE 379 Ca 0.04 -0.25 0.04 0.00 -0.51 0.00 0.00 60.65 59.97 1oz0 s ILE 379 Cb -0.07 -0.30 -0.04 0.00 0.61 0.00 0.00 42.46 42.66 1oz0 s ILE 379 CO 0.02 0.05 -0.11 0.00 -2.81 0.00 0.00 174.94 172.10 1oz0 s ARG 380 N -0.23 0.89 -0.19 3.50 1.70 0.07 -4.94 118.95 119.74 1oz0 s ARG 380 Ca 0.00 -1.19 -0.06 0.00 -0.47 0.00 0.00 55.73 54.01 1oz0 s ARG 380 Cb -0.02 -0.59 -0.03 0.00 -0.57 0.00 0.00 34.95 33.73 1oz0 s ARG 380 CO -0.00 0.09 0.04 0.99 -1.08 0.00 0.00 175.30 175.34 1oz0 s THR 381 N -2.47 4.42 -0.19 4.99 2.01 -1.26 -0.05 115.64 123.08 1oz0 s THR 381 Ca 0.07 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 1oz0 s THR 381 Cb -0.03 -3.00 0.05 0.00 0.01 0.00 0.00 72.50 69.54 1oz0 s THR 381 CO 0.00 0.44 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.13 1oz0 s LEU 382 N 0.67 1.73 -1.34 4.42 2.96 -0.07 -4.79 118.68 122.26 1oz0 s LEU 382 Ca 0.02 -0.86 -0.00 0.00 -0.22 0.00 0.00 54.13 53.07 1oz0 s LEU 382 Cb -0.14 -0.87 -0.00 0.00 0.50 0.00 0.00 46.19 45.68 1oz0 s LEU 382 CO 0.02 -0.24 0.59 0.00 -1.32 0.00 0.00 176.35 175.40 1oz0 n TYR 383 N 4.88 -1.81 0.00 5.38 9.36 -1.26 -1.54 117.16 132.17 1oz0 n TYR 383 Ca -0.11 0.80 0.00 0.00 3.32 0.00 0.00 57.90 61.91 1oz0 n TYR 383 Cb 0.46 -4.13 0.00 0.00 -0.63 0.00 0.00 39.34 35.04 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 -1.73 2.33 3.98 2.98 0.00 -1.26 -5.00 105.19 106.48 1oz0 n GLY 384 Ca -0.30 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 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 3.27 -0.09 0.99 1.43 -0.59 -5.06 118.68 118.63 1oz0 s LEU 385 Ca 0.00 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1oz0 s LEU 385 Cb 0.00 -2.77 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 1oz0 s LEU 385 CO 0.00 -1.17 -0.12 -1.10 0.23 0.00 0.00 176.35 174.19 1oz0 s GLN 386 N -4.76 2.99 -0.21 1.70 -1.52 -1.26 -0.90 119.66 115.70 1oz0 s GLN 386 Ca 0.58 -0.66 0.02 0.00 -1.95 0.00 0.00 55.36 53.34 1oz0 s GLN 386 Cb -0.10 -2.55 0.03 0.00 -0.22 0.00 0.00 33.01 30.18 1oz0 s GLN 386 CO 0.38 0.43 -0.16 -0.51 -0.25 0.00 0.00 175.29 175.18 1oz0 s LEU 387 N -0.20 2.68 0.04 2.90 1.43 0.93 -4.96 118.68 121.49 1oz0 s LEU 387 Ca 0.01 -0.93 0.07 0.00 -1.03 0.00 0.00 54.13 52.24 1oz0 s LEU 387 Cb -0.13 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1oz0 s LEU 387 CO 0.03 -0.08 -0.18 -0.32 0.23 0.00 0.00 176.35 176.03 1oz0 s MET 388 N 1.22 2.07 0.18 1.70 1.75 -1.26 -0.76 119.30 124.21 1oz0 s MET 388 Ca -0.00 -0.98 -0.23 0.00 -1.25 0.00 0.00 55.69 53.22 1oz0 s MET 388 Cb -0.16 -2.18 0.05 0.00 2.84 0.00 0.00 34.83 35.38 1oz0 s MET 388 CO -0.09 0.54 0.77 1.14 -0.65 0.00 0.00 175.02 176.72 1oz0 s GLN 389 N -1.42 1.40 0.32 4.11 -2.07 -0.69 -5.02 119.66 116.30 1oz0 s GLN 389 Ca 0.14 -0.69 -0.26 0.00 -1.82 0.00 0.00 55.36 52.73 1oz0 s GLN 389 Cb -0.10 0.53 -0.10 0.00 -1.09 0.00 0.00 33.01 32.24 1oz0 s GLN 389 CO 0.05 -0.63 0.94 0.21 -1.32 0.00 0.00 175.29 174.54 1oz0 s LYS 390 N -3.62 4.58 1.03 9.60 2.20 -1.26 -1.07 119.74 131.19 1oz0 s LYS 390 Ca 0.08 1.32 -0.14 0.00 -0.36 0.00 0.00 55.97 56.87 1oz0 s LYS 390 Cb -0.03 -2.79 0.20 0.00 -1.51 0.00 0.00 37.83 33.70 1oz0 s LYS 390 CO -0.01 0.28 1.12 -0.98 -0.36 0.00 0.00 175.35 175.40 1oz0 s ARG 391 N -2.07 0.15 -0.63 4.03 1.70 0.10 -4.83 118.95 117.41 1oz0 s ARG 391 Ca 0.50 0.24 -0.24 0.00 -0.47 0.00 0.00 55.73 55.77 1oz0 s ARG 391 Cb -0.18 -1.73 0.05 0.00 -0.57 0.00 0.00 34.95 32.52 1oz0 s ARG 391 CO 0.24 -2.86 0.99 1.21 -1.08 0.00 0.00 175.30 173.80 1oz0 s ASN 392 N -3.79 6.24 -0.12 -2.89 3.84 -1.26 -4.84 114.94 112.11 1oz0 s ASN 392 Ca 0.67 -0.68 0.15 0.00 0.21 0.00 0.00 52.86 53.21 1oz0 s ASN 392 Cb -0.15 -2.44 0.48 0.00 -0.55 0.00 0.00 41.25 38.59 1oz0 s ASN 392 CO 0.56 -1.40 1.39 0.59 -2.79 0.00 0.00 177.10 175.44 1oz0 n ASN 393 N 7.80 3.68 -4.72 -4.21 3.02 -1.26 -5.01 115.26 114.56 1oz0 n ASN 393 Ca -0.01 -2.69 -0.42 0.00 -0.03 0.00 0.00 54.58 51.44 1oz0 n ASN 393 Cb 0.47 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 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 -2.24 3.85 0.05 5.41 0.00 -1.26 -4.96 121.76 122.61 1oz0 s ALA 394 Ca 0.37 1.50 -0.14 0.00 0.00 0.00 0.00 51.96 53.70 1oz0 s ALA 394 Cb 0.28 -3.66 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 1oz0 s ALA 394 CO 0.12 -0.88 0.44 0.14 0.00 0.00 0.00 175.76 175.58 1oz0 s VAL 395 N 0.96 4.99 -0.35 0.00 -7.23 -1.26 -5.05 120.40 112.47 1oz0 s VAL 395 Ca 0.71 0.78 -0.05 0.00 -1.81 0.00 0.00 61.98 61.61 1oz0 s VAL 395 Cb -0.47 -3.71 0.06 0.00 0.56 0.00 0.00 36.38 32.81 1oz0 s VAL 395 CO 0.34 0.46 0.11 -0.63 -0.31 0.00 0.00 175.10 175.07 1oz0 s ILE 396 N -1.22 3.56 0.34 -0.62 1.01 -1.26 -4.89 121.20 118.12 1oz0 s ILE 396 Ca 0.28 -1.34 -0.00 0.00 0.00 0.00 0.00 60.65 59.59 1oz0 s ILE 396 Cb -0.16 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1oz0 s ILE 396 CO 0.16 -0.26 0.44 -0.90 0.00 0.00 0.00 174.94 174.38 1oz0 n ASP 397 N 4.75 -1.21 -0.08 3.58 5.68 -1.26 -4.85 116.55 123.16 1oz0 n ASP 397 Ca -0.11 -2.89 0.26 0.00 -0.50 0.00 0.00 54.79 51.55 1oz0 n ASP 397 Cb 0.44 2.32 0.71 0.00 -1.14 0.00 0.00 41.12 43.44 1oz0 n ASP 397 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1oz0 h ARG 398 N 0.00 0.00 0.00 0.11 3.08 -1.95 0.86 114.38 116.48 1oz0 h ARG 398 Ca -0.26 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 1oz0 h ARG 398 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1oz0 h ARG 398 CO 0.35 0.00 -0.24 0.66 -1.07 0.00 0.00 179.97 179.67 1oz0 h SER 399 N 0.00 0.00 0.07 7.04 4.64 -1.97 -2.59 113.55 120.74 1oz0 h SER 399 Ca 0.34 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1oz0 h SER 399 Cb 1.61 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1oz0 h SER 399 CO -0.00 0.24 -0.00 0.25 -0.87 0.00 0.00 176.83 176.44 1oz0 h LEU 400 N 0.00 0.00 -3.53 5.97 5.85 -1.16 -2.51 115.31 119.92 1oz0 h LEU 400 Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1oz0 h LEU 400 Cb 0.56 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1oz0 h LEU 400 CO 0.03 0.00 0.07 0.49 -0.34 0.00 0.00 178.44 178.69 1oz0 n PHE 401 N -3.17 1.87 1.95 1.25 3.72 -0.98 -4.59 117.46 117.52 1oz0 n PHE 401 Ca -0.03 -0.93 0.05 0.00 -0.05 0.00 0.00 57.45 56.50 1oz0 n PHE 401 Cb 0.09 -0.51 0.33 0.00 -0.94 0.00 0.00 39.48 38.44 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 0.07 0.98 -3.49 -1.08 5.02 -0.95 -4.33 118.16 114.37 1oz0 n LYS 402 Ca 0.30 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.32 1oz0 n LYS 402 Cb 1.17 -1.18 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1oz0 n LYS 402 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1oz0 n ASN 403 N -0.68 2.94 -4.57 4.39 5.15 -1.26 -5.04 115.26 116.19 1oz0 n ASN 403 Ca 0.08 -3.25 -0.42 0.00 -0.60 0.00 0.00 54.58 50.40 1oz0 n ASN 403 Cb 0.04 -0.68 -0.03 0.00 -0.53 0.00 0.00 39.78 38.58 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 -1.98 3.92 -1.66 -1.44 1.01 -1.26 -2.57 121.20 117.22 1oz0 s ILE 404 Ca 0.36 0.72 0.29 0.00 0.00 0.00 0.00 60.65 62.01 1oz0 s ILE 404 Cb 0.11 -4.79 0.44 0.00 0.01 0.00 0.00 42.46 38.23 1oz0 s ILE 404 CO -0.07 -1.52 1.84 1.33 0.00 0.00 0.00 174.94 176.53 1oz0 n VAL 405 N 6.56 0.00 -3.38 2.92 0.24 -0.67 -4.86 118.33 119.14 1oz0 n VAL 405 Ca 0.06 -0.06 -0.37 0.00 -2.04 0.00 0.00 64.34 61.93 1oz0 n VAL 405 Cb 0.49 -0.07 -0.06 0.00 -1.47 0.00 0.00 33.84 32.74 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 -2.47 4.88 0.10 3.34 -4.23 -1.25 -4.99 115.64 111.02 1oz0 s THR 406 Ca 0.29 0.92 -0.25 0.00 -1.18 0.00 0.00 61.69 61.46 1oz0 s THR 406 Cb 0.20 -3.77 -0.08 0.00 1.34 0.00 0.00 72.50 70.19 1oz0 s THR 406 CO 0.48 0.41 1.41 0.11 -0.54 0.00 0.00 174.62 176.50 1oz0 h LYS 407 N 4.11 -0.26 -6.63 3.99 1.57 -1.93 -3.37 116.57 114.06 1oz0 h LYS 407 Ca -0.50 0.02 -0.52 0.00 -1.87 0.00 0.00 60.65 57.78 1oz0 h LYS 407 Cb 1.21 0.06 0.05 0.00 0.08 0.00 0.00 32.23 33.63 1oz0 h LYS 407 CO 0.64 -0.17 0.97 1.21 -0.57 0.00 0.00 179.45 181.53 1oz0 s ASN 408 N -4.54 6.45 -0.18 0.86 2.47 -1.26 -4.93 114.94 113.82 1oz0 s ASN 408 Ca -0.11 2.77 0.13 0.00 0.42 0.00 0.00 52.86 56.08 1oz0 s ASN 408 Cb 0.07 -2.60 0.40 0.00 -1.45 0.00 0.00 41.25 37.67 1oz0 s ASN 408 CO 0.47 -0.92 1.20 0.29 -3.72 0.00 0.00 177.10 174.41 1oz0 n LYS 409 N 4.09 1.37 -1.69 0.43 5.02 -1.26 -4.73 118.16 121.39 1oz0 n LYS 409 Ca 0.15 -3.05 -0.44 0.00 -2.02 0.00 0.00 58.31 52.96 1oz0 n LYS 409 Cb 0.36 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 1oz0 n LYS 409 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1oz0 n THR 410 N -1.00 0.18 -2.75 -0.18 -1.04 -1.26 -4.94 114.28 103.29 1oz0 n THR 410 Ca 0.17 -0.03 -0.06 0.00 -2.04 0.00 0.00 64.05 62.09 1oz0 n THR 410 Cb 0.72 -1.91 0.03 0.00 -1.82 0.00 0.00 70.33 67.35 1oz0 n THR 410 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1oz0 n LEU 411 N 4.66 -3.18 -4.70 -4.42 7.94 -1.26 -4.71 117.00 111.33 1oz0 n LEU 411 Ca 0.18 -3.11 -0.32 0.00 -1.11 0.00 0.00 56.01 51.64 1oz0 n LEU 411 Cb 0.34 0.80 0.14 0.00 0.53 0.00 0.00 43.42 45.23 1oz0 n LEU 411 CO 0.65 1.97 0.72 -2.16 -1.11 0.00 0.00 177.39 177.46 1oz0 s PRO 412 N 0.78 1.46 0.22 1.96 0.04 -1.26 -4.72 135.00 133.48 1oz0 s PRO 412 Ca 0.31 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 1oz0 s PRO 412 Cb 0.12 -1.77 0.25 0.00 0.04 0.00 0.00 34.50 33.14 1oz0 s PRO 412 CO -0.15 -2.31 1.62 0.93 0.04 0.00 0.00 177.00 177.12 1oz0 h GLU 413 N -1.33 -0.00 -0.90 4.56 4.39 -2.01 0.28 114.58 119.56 1oz0 h GLU 413 Ca -0.44 0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.46 1oz0 h GLU 413 Cb 1.27 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.86 1oz0 h GLU 413 CO 0.45 -0.00 0.60 0.66 -1.16 0.00 0.00 179.01 179.56 1oz0 h SER 414 N -0.00 0.39 0.30 1.42 4.64 -1.99 0.33 113.55 118.63 1oz0 h SER 414 Ca 0.32 0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 61.50 1oz0 h SER 414 Cb 0.48 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1oz0 h SER 414 CO -0.68 0.15 -0.71 0.00 -0.87 0.00 0.00 176.83 174.72 1oz0 h ALA 415 N 1.61 0.63 -0.23 5.18 0.00 -0.79 -0.08 119.26 125.59 1oz0 h ALA 415 Ca 0.47 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1oz0 h ALA 415 Cb 1.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1oz0 h ALA 415 CO -0.17 0.77 0.01 0.28 0.00 0.00 0.00 179.25 180.13 1oz0 h VAL 416 N 0.25 1.25 0.01 0.00 2.07 0.33 -0.73 116.25 119.43 1oz0 h VAL 416 Ca -0.03 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1oz0 h VAL 416 Cb 1.28 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1oz0 h VAL 416 CO 0.12 0.27 -0.00 -0.09 0.02 0.00 0.00 177.57 177.88 1oz0 h ARG 417 N 0.17 -0.01 -0.97 1.57 2.43 -0.97 -1.98 114.38 114.62 1oz0 h ARG 417 Ca 0.06 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1oz0 h ARG 417 Cb 0.39 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.89 1oz0 h ARG 417 CO 0.01 0.14 0.64 -0.44 -1.51 0.00 0.00 179.97 178.81 1oz0 h ASP 418 N -0.16 1.05 -0.26 -3.80 5.19 -0.97 -1.05 116.42 116.41 1oz0 h ASP 418 Ca -0.00 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.34 1oz0 h ASP 418 Cb 0.16 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 1oz0 h ASP 418 CO 0.00 0.71 -0.08 -0.07 -3.12 0.00 0.00 179.24 176.69 1oz0 h LEU 419 N 1.21 0.51 -0.36 1.55 3.38 -1.02 -1.51 115.31 119.06 1oz0 h LEU 419 Ca 0.39 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1oz0 h LEU 419 Cb 0.03 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1oz0 h LEU 419 CO -0.13 0.77 0.08 0.40 0.09 0.00 0.00 178.44 179.65 1oz0 h ILE 420 N 0.25 0.82 -0.18 1.22 2.04 -0.91 0.38 117.51 121.13 1oz0 h ILE 420 Ca 0.06 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1oz0 h ILE 420 Cb 0.55 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1oz0 h ILE 420 CO 0.03 0.04 0.08 0.58 0.00 0.00 0.00 178.15 178.88 1oz0 h VAL 421 N 0.20 0.99 -0.53 1.67 2.07 -1.13 0.12 116.25 119.63 1oz0 h VAL 421 Ca 0.17 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.58 1oz0 h VAL 421 Cb 0.20 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1oz0 h VAL 421 CO -0.22 0.03 0.13 0.00 0.02 0.00 0.00 177.57 177.54 1oz0 h ALA 422 N 1.09 1.23 -0.03 1.67 0.00 -0.76 -1.17 119.26 121.30 1oz0 h ALA 422 Ca 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1oz0 h ALA 422 Cb 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1oz0 h ALA 422 CO -0.05 0.53 -0.06 0.77 0.00 0.00 0.00 179.25 180.44 1oz0 h SER 423 N 0.79 0.11 -0.01 0.00 0.02 0.21 -1.71 113.55 112.96 1oz0 h SER 423 Ca 0.17 -0.56 -0.01 0.00 -0.84 0.00 0.00 61.79 60.55 1oz0 h SER 423 Cb 0.28 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1oz0 h SER 423 CO -0.00 0.65 -0.02 0.40 -1.14 0.00 0.00 176.83 176.71 1oz0 h ILE 424 N -0.43 1.07 -0.12 3.27 2.04 -0.70 -0.00 117.51 122.63 1oz0 h ILE 424 Ca 0.00 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 1oz0 h ILE 424 Cb 0.63 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1oz0 h ILE 424 CO 0.01 0.08 -0.12 0.00 0.00 0.00 0.00 178.15 178.13 1oz0 h ALA 425 N 1.88 0.18 -0.68 1.87 0.00 -1.14 -3.10 119.26 118.28 1oz0 h ALA 425 Ca 0.02 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1oz0 h ALA 425 Cb 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1oz0 h ALA 425 CO 0.00 0.04 0.42 0.28 0.00 0.00 0.00 179.25 179.99 1oz0 h VAL 426 N -0.08 1.08 -0.70 0.00 2.07 -0.41 -1.79 116.25 116.42 1oz0 h VAL 426 Ca 0.02 -0.28 0.20 0.00 0.82 0.00 0.00 66.70 67.46 1oz0 h VAL 426 Cb 0.64 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1oz0 h VAL 426 CO 0.03 0.15 0.59 0.50 0.02 0.00 0.00 177.57 178.86 1oz0 h LYS 427 N 0.82 0.00 -0.35 1.57 3.64 -0.95 0.40 116.57 121.69 1oz0 h LYS 427 Ca 0.27 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.46 1oz0 h LYS 427 Cb 0.03 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.73 1oz0 h LYS 427 CO -0.11 0.00 -0.12 0.66 -2.27 0.00 0.00 179.45 177.61 1oz0 n TYR 428 N -3.99 1.10 -4.65 1.91 4.01 -0.68 -4.71 117.16 110.14 1oz0 n TYR 428 Ca 0.14 -1.65 -0.34 0.00 -0.16 0.00 0.00 57.90 55.90 1oz0 n TYR 428 Cb 0.85 -0.49 -0.12 0.00 -0.31 0.00 0.00 39.34 39.27 1oz0 n TYR 428 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1oz0 s THR 429 N -3.31 3.63 0.15 -0.72 2.01 0.13 -4.17 115.64 113.36 1oz0 s THR 429 Ca 0.45 -0.50 -0.32 0.00 0.31 0.00 0.00 61.69 61.63 1oz0 s THR 429 Cb 0.41 -2.48 -0.11 0.00 0.01 0.00 0.00 72.50 70.32 1oz0 s THR 429 CO -0.01 0.59 1.79 0.00 -0.69 0.00 0.00 174.62 176.30 1oz0 n GLN 430 N 2.34 2.77 -1.64 4.92 1.13 -1.26 -4.38 117.38 121.26 1oz0 n GLN 430 Ca -0.18 1.00 -0.32 0.00 -1.94 0.00 0.00 57.00 55.57 1oz0 n GLN 430 Cb 0.53 -2.88 0.05 0.00 0.11 0.00 0.00 30.24 28.05 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 2.11 5.14 0.69 1.08 0.01 -0.40 0.76 113.70 123.09 1oz0 s SER 431 Ca 0.79 1.83 -0.07 0.00 1.31 0.00 0.00 55.95 59.81 1oz0 s SER 431 Cb -0.50 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.26 1oz0 s SER 431 CO 0.35 -1.61 1.02 0.54 0.41 0.00 0.00 173.24 173.96 1oz0 s ASN 432 N -3.10 4.98 0.10 2.44 2.20 -0.67 -3.39 114.94 117.50 1oz0 s ASN 432 Ca 0.63 0.59 -0.23 0.00 -0.94 0.00 0.00 52.86 52.91 1oz0 s ASN 432 Cb -0.17 -1.30 0.06 0.00 -2.00 0.00 0.00 41.25 37.84 1oz0 s ASN 432 CO 0.47 -1.51 0.57 -0.94 -2.94 0.00 0.00 177.10 172.75 1oz0 s SER 433 N -4.47 -0.51 0.03 3.54 1.04 -1.26 -2.50 113.70 109.58 1oz0 s SER 433 Ca 0.59 0.10 0.01 0.00 0.48 0.00 0.00 55.95 57.12 1oz0 s SER 433 Cb -0.11 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 1oz0 s SER 433 CO 0.46 -0.85 -0.05 -0.69 0.98 0.00 0.00 173.24 173.09 1oz0 s VAL 434 N -3.11 0.30 -0.05 5.02 1.01 -1.19 -1.67 120.40 120.70 1oz0 s VAL 434 Ca -0.02 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 1oz0 s VAL 434 Cb -0.00 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.90 1oz0 s VAL 434 CO -0.07 -0.50 0.11 0.00 0.00 0.00 0.00 175.10 174.64 1oz0 s TYR 436 N 1.07 3.28 0.01 0.00 1.51 0.28 -0.78 117.35 122.72 1oz0 s TYR 436 Ca -0.08 0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 56.13 1oz0 s TYR 436 Cb -0.11 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.75 1oz0 s TYR 436 CO -0.05 0.33 0.00 0.00 -1.11 0.00 0.00 175.55 174.73 1oz0 s ALA 437 N -0.20 0.02 -0.18 3.71 0.00 0.33 -1.04 121.76 124.40 1oz0 s ALA 437 Ca 0.07 -0.34 -0.23 0.00 0.00 0.00 0.00 51.96 51.46 1oz0 s ALA 437 Cb -0.12 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.15 1oz0 s ALA 437 CO 0.01 -0.12 0.61 0.21 0.00 0.00 0.00 175.76 176.47 1oz0 s LYS 438 N -1.01 0.79 -1.17 0.00 2.20 -0.34 -1.37 119.74 118.85 1oz0 s LYS 438 Ca -0.11 0.65 -0.07 0.00 -0.36 0.00 0.00 55.97 56.08 1oz0 s LYS 438 Cb -0.07 0.38 0.01 0.00 -1.51 0.00 0.00 37.83 36.64 1oz0 s LYS 438 CO -0.00 -0.15 0.96 -0.25 -0.36 0.00 0.00 175.35 175.55 1oz0 n ASP 439 N 2.23 -5.72 -0.26 1.43 8.00 -1.26 -2.22 116.55 118.75 1oz0 n ASP 439 Ca -0.15 -0.44 -0.03 0.00 0.71 0.00 0.00 54.79 54.87 1oz0 n ASP 439 Cb 0.56 -4.36 -0.01 0.00 -0.02 0.00 0.00 41.12 37.29 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 -1.76 0.58 3.10 0.44 0.00 -1.26 -4.73 105.19 101.57 1oz0 n GLY 440 Ca -0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.57 0.66 0.11 1.61 -2.07 -0.94 -2.24 119.66 115.22 1oz0 s GLN 441 Ca 0.00 -1.25 -0.30 0.00 -1.82 0.00 0.00 55.36 51.98 1oz0 s GLN 441 Cb 0.00 0.20 -0.07 0.00 -1.09 0.00 0.00 33.01 32.05 1oz0 s GLN 441 CO 0.00 -0.13 1.22 0.08 -1.32 0.00 0.00 175.29 175.15 1oz0 s VAL 442 N -3.93 3.79 0.00 3.63 1.01 -0.62 -1.19 120.40 123.08 1oz0 s VAL 442 Ca 0.09 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1oz0 s VAL 442 Cb 0.08 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1oz0 s VAL 442 CO -0.08 0.14 0.00 2.30 0.00 0.00 0.00 175.10 177.46 1oz0 n ILE 443 N 3.45 0.00 -3.64 2.22 -5.35 -0.20 -4.44 119.36 111.40 1oz0 n ILE 443 Ca 0.08 -0.34 -0.05 0.00 -0.27 0.00 0.00 62.75 62.17 1oz0 n ILE 443 Cb 0.45 0.84 -0.07 0.00 -1.74 0.00 0.00 39.64 39.13 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 -1.26 -0.46 -0.09 3.28 0.00 -1.12 -3.56 107.32 104.11 1oz0 s GLY 444 Ca 0.00 2.64 -0.04 0.00 0.00 0.00 0.00 44.72 47.31 1oz0 s GLY 444 CO 0.00 2.51 0.20 -1.50 0.00 0.00 0.00 173.10 174.31 1oz0 s ILE 445 N 1.63 -0.04 -0.11 0.90 2.07 -1.26 -0.56 121.20 123.83 1oz0 s ILE 445 Ca -0.09 0.14 -0.02 0.00 -1.41 0.00 0.00 60.65 59.27 1oz0 s ILE 445 Cb -0.05 -0.31 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 1oz0 s ILE 445 CO -0.18 0.06 -0.01 -0.83 -1.91 0.00 0.00 174.94 172.06 1oz0 s GLY 446 N 1.09 1.81 0.06 1.50 0.00 -0.64 -4.64 107.32 106.48 1oz0 s GLY 446 Ca -0.08 -0.81 0.03 0.00 0.00 0.00 0.00 44.72 43.86 1oz0 s GLY 446 CO -0.06 -0.41 -0.10 0.00 0.00 0.00 0.00 173.10 172.52 1oz0 s ALA 447 N -0.48 0.83 -1.58 3.20 0.00 -1.26 -3.19 121.76 119.28 1oz0 s ALA 447 Ca 0.08 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1oz0 s ALA 447 Cb -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1oz0 s ALA 447 CO 0.02 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1oz0 n GLY 448 N 1.37 0.02 3.92 0.00 0.00 0.23 -4.87 105.19 105.86 1oz0 n GLY 448 Ca -0.22 0.00 -0.27 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 -4.66 3.23 -0.07 1.61 -1.52 -1.14 -4.56 119.66 112.56 1oz0 s GLN 449 Ca 0.00 0.05 0.12 0.00 -1.95 0.00 0.00 55.36 53.58 1oz0 s GLN 449 Cb 0.00 -2.35 0.32 0.00 -0.22 0.00 0.00 33.01 30.77 1oz0 s GLN 449 CO 0.00 -0.42 1.25 1.04 -0.25 0.00 0.00 175.29 176.91 1oz0 n GLN 450 N -2.38 2.74 -3.66 2.91 6.02 -1.26 -1.67 117.38 120.08 1oz0 n GLN 450 Ca 0.02 -2.26 -0.07 0.00 -0.01 0.00 0.00 57.00 54.68 1oz0 n GLN 450 Cb 0.56 -1.43 -0.07 0.00 1.02 0.00 0.00 30.24 30.32 1oz0 n GLN 450 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1oz0 s SER 451 N -1.49 -0.83 0.16 1.08 0.15 -1.26 -5.08 113.70 106.43 1oz0 s SER 451 Ca 0.26 1.34 -0.21 0.00 0.70 0.00 0.00 55.95 58.04 1oz0 s SER 451 Cb 0.19 1.45 0.06 0.00 -1.71 0.00 0.00 66.02 66.00 1oz0 s SER 451 CO 0.10 -0.23 1.63 -0.09 1.20 0.00 0.00 173.24 175.85 1oz0 h ARG 452 N 7.36 -0.21 -0.82 5.44 9.65 -1.96 -2.17 114.38 131.68 1oz0 h ARG 452 Ca -0.27 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.65 1oz0 h ARG 452 Cb 1.18 0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.76 1oz0 h ARG 452 CO 0.17 -0.14 0.53 0.97 2.80 0.00 0.00 179.97 184.31 1oz0 h ILE 453 N -0.21 1.15 -0.87 1.20 6.09 -1.98 0.13 117.51 123.02 1oz0 h ILE 453 Ca 0.16 -0.36 -0.01 0.00 -1.37 0.00 0.00 64.86 63.27 1oz0 h ILE 453 Cb 0.46 0.01 -0.04 0.00 0.47 0.00 0.00 36.82 37.72 1oz0 h ILE 453 CO -0.44 0.19 0.49 0.45 -3.07 0.00 0.00 178.15 175.77 1oz0 h HIS 454 N 1.05 1.18 -0.35 2.19 3.86 -1.89 0.39 115.15 121.58 1oz0 h HIS 454 Ca 0.32 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.40 1oz0 h HIS 454 Cb -0.03 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.05 1oz0 h HIS 454 CO -0.02 0.81 -0.21 0.00 0.86 0.00 0.00 177.93 179.37 1oz0 h THR 456 N 0.55 1.06 -0.28 0.00 2.02 -0.26 -0.43 112.91 115.58 1oz0 h THR 456 Ca 0.07 -0.29 -0.18 0.00 0.77 0.00 0.00 66.41 66.78 1oz0 h THR 456 Cb 0.76 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1oz0 h THR 456 CO 0.06 0.16 -0.51 0.03 0.37 0.00 0.00 175.52 175.62 1oz0 h ARG 457 N 0.86 0.83 -0.38 6.66 3.08 -0.77 0.10 114.38 124.76 1oz0 h ARG 457 Ca 0.31 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 1oz0 h ARG 457 Cb 0.09 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1oz0 h ARG 457 CO -0.14 1.16 0.19 1.25 -1.07 0.00 0.00 179.97 181.36 1oz0 h LEU 458 N 0.60 0.50 -0.31 3.04 5.85 -0.54 -0.81 115.31 123.65 1oz0 h LEU 458 Ca 0.01 -0.13 -0.19 0.00 0.84 0.00 0.00 57.88 58.42 1oz0 h LEU 458 Cb 1.12 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1oz0 h LEU 458 CO 0.12 0.49 -0.60 0.00 -0.34 0.00 0.00 178.44 178.10 1oz0 h ALA 459 N 1.04 0.48 -0.70 1.25 0.00 -1.09 -2.92 119.26 117.32 1oz0 h ALA 459 Ca 0.13 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1oz0 h ALA 459 Cb 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1oz0 h ALA 459 CO -0.02 0.69 0.46 0.78 0.00 0.00 0.00 179.25 181.16 1oz0 h GLY 460 N 0.76 0.99 2.00 0.00 0.00 -0.54 -1.05 103.07 105.22 1oz0 h GLY 460 Ca -0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1oz0 h GLY 460 CO 0.13 0.37 -0.25 -0.55 0.00 0.00 0.00 176.54 176.23 1oz0 h ASP 461 N 0.95 0.00 0.49 0.19 3.32 -1.16 -1.21 116.42 119.00 1oz0 h ASP 461 Ca 0.26 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.13 1oz0 h ASP 461 Cb -0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1oz0 h ASP 461 CO -0.05 0.25 -0.75 0.11 -1.72 0.00 0.00 179.24 177.08 1oz0 h LYS 462 N 0.00 0.20 -0.10 3.56 1.57 -1.21 -2.45 116.57 118.15 1oz0 h LYS 462 Ca -0.00 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 1oz0 h LYS 462 Cb 0.79 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1oz0 h LYS 462 CO 0.03 0.86 -0.34 0.00 -0.57 0.00 0.00 179.45 179.43 1oz0 h ALA 463 N 1.09 1.25 -0.16 3.86 0.00 -0.51 -2.16 119.26 122.63 1oz0 h ALA 463 Ca -0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1oz0 h ALA 463 Cb 1.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1oz0 h ALA 463 CO 0.11 0.52 -0.02 -0.91 0.00 0.00 0.00 179.25 178.95 1oz0 h ASN 464 N 0.17 0.29 -0.69 0.00 2.35 -0.95 -2.34 115.58 114.40 1oz0 h ASN 464 Ca 0.02 -0.34 0.08 0.00 -0.55 0.00 0.00 56.30 55.51 1oz0 h ASN 464 Cb 0.69 -0.08 -0.07 0.00 0.05 0.00 0.00 38.32 38.91 1oz0 h ASN 464 CO 0.05 0.56 0.35 0.28 -1.65 0.00 0.00 177.43 177.02 1oz0 h SER 465 N 0.01 0.47 -0.07 5.81 0.02 -1.14 0.36 113.55 119.01 1oz0 h SER 465 Ca 0.04 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1oz0 h SER 465 Cb 0.42 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1oz0 h SER 465 CO 0.01 0.28 -0.04 -0.25 -1.14 0.00 0.00 176.83 175.69 1oz0 h TRP 466 N 0.61 -0.10 -0.44 3.45 7.01 -1.31 -2.08 115.95 123.08 1oz0 h TRP 466 Ca 0.33 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.28 1oz0 h TRP 466 Cb 0.32 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.42 1oz0 h TRP 466 CO -0.10 -0.07 0.01 2.35 -2.79 0.00 0.00 178.44 177.84 1oz0 h TRP 467 N -0.05 0.75 0.00 2.65 -0.00 -0.75 -2.32 115.95 116.24 1oz0 h TRP 467 Ca 0.04 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.89 58.82 1oz0 h TRP 467 Cb 0.11 -0.21 -0.00 0.00 -0.00 0.00 0.00 29.16 29.06 1oz0 h TRP 467 CO -0.15 0.70 -0.11 -0.07 -0.00 0.00 0.00 178.44 178.81 1oz0 h LEU 468 N 0.68 0.00 0.00 0.65 3.38 0.04 -1.72 115.31 118.34 1oz0 h LEU 468 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1oz0 h LEU 468 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1oz0 h LEU 468 CO 0.01 0.11 0.00 0.54 0.09 0.00 0.00 178.44 179.20 1oz0 n ARG 469 N -3.63 0.15 0.00 1.13 1.74 -0.81 -1.74 116.66 113.50 1oz0 n ARG 469 Ca -0.02 0.09 0.12 0.00 -0.77 0.00 0.00 57.85 57.28 1oz0 n ARG 469 Cb 0.23 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.38 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 -1.40 0.00 -1.96 -1.55 8.25 -0.65 -4.59 115.22 113.32 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 0.23 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 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 -2.55 2.84 0.28 4.41 5.04 -0.71 -4.78 115.29 119.82 1oz0 s HIS 471 Ca 0.21 0.55 0.02 0.00 -1.54 0.00 0.00 55.06 54.29 1oz0 s HIS 471 Cb 0.19 -3.91 0.69 0.00 0.04 0.00 0.00 32.58 29.59 1oz0 s HIS 471 CO 0.57 -3.47 1.44 -2.30 -2.34 0.00 0.00 174.74 168.64 1oz0 n PRO 472 N 4.60 -0.07 0.26 2.88 -0.02 -1.26 0.93 135.00 142.32 1oz0 n PRO 472 Ca 0.14 1.38 0.10 0.00 -2.02 0.00 0.00 63.50 63.10 1oz0 n PRO 472 Cb 0.40 -2.18 0.68 0.00 -0.02 0.00 0.00 33.50 32.38 1oz0 n PRO 472 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1oz0 h ARG 473 N 0.00 0.00 0.03 -0.52 2.43 -1.96 0.53 114.38 114.90 1oz0 h ARG 473 Ca 0.55 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1oz0 h ARG 473 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1oz0 h ARG 473 CO -0.87 0.09 -0.02 0.28 -1.51 0.00 0.00 179.97 177.95 1oz0 h VAL 474 N 0.00 1.38 -0.78 0.20 2.07 0.23 -3.04 116.25 116.31 1oz0 h VAL 474 Ca -0.00 -1.71 0.08 0.00 0.82 0.00 0.00 66.70 65.89 1oz0 h VAL 474 Cb 0.19 2.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 1oz0 h VAL 474 CO 0.01 0.41 0.51 -0.07 0.02 0.00 0.00 177.57 178.45 1oz0 h LEU 475 N -0.84 0.70 -2.24 2.57 3.38 -0.68 -1.50 115.31 116.69 1oz0 h LEU 475 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1oz0 h LEU 475 Cb 0.71 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1oz0 h LEU 475 CO 0.01 0.44 0.00 -1.54 0.09 0.00 0.00 178.44 177.43 1oz0 n SER 476 N -4.49 3.33 -4.65 -0.43 3.41 0.12 -4.95 113.62 105.95 1oz0 n SER 476 Ca 0.12 -2.14 -0.49 0.00 -0.26 0.00 0.00 58.87 56.10 1oz0 n SER 476 Cb 0.26 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 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 1.00 1.84 -2.92 4.33 2.81 -0.57 -4.86 117.12 118.75 1oz0 n MET 477 Ca 0.19 0.66 -0.44 0.00 -1.81 0.00 0.00 57.70 56.31 1oz0 n MET 477 Cb 0.57 -2.41 -0.02 0.00 -0.71 0.00 0.00 33.22 30.66 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 1.45 3.68 0.55 0.03 -0.14 -1.26 -5.00 119.74 119.05 1oz0 s LYS 478 Ca 0.84 -1.88 -0.08 0.00 -1.36 0.00 0.00 55.97 53.48 1oz0 s LYS 478 Cb -0.78 -4.96 -0.04 0.00 -1.68 0.00 0.00 37.83 30.38 1oz0 s LYS 478 CO 0.44 -1.79 0.91 -0.06 -0.76 0.00 0.00 175.35 174.09 1oz0 s PHE 479 N 2.57 3.59 0.02 3.18 0.08 -1.26 -0.14 117.98 126.02 1oz0 s PHE 479 Ca 0.35 1.06 0.05 0.00 0.12 0.00 0.00 56.93 58.51 1oz0 s PHE 479 Cb -0.04 -2.52 -0.03 0.00 -0.57 0.00 0.00 43.02 39.86 1oz0 s PHE 479 CO -0.08 -0.48 -0.11 0.21 -0.10 0.00 0.00 175.22 174.66 1oz0 s LYS 480 N -4.94 2.36 0.24 0.44 2.47 -1.10 -4.62 119.74 114.59 1oz0 s LYS 480 Ca 0.51 -0.82 -0.31 0.00 -1.56 0.00 0.00 55.97 53.79 1oz0 s LYS 480 Cb -0.11 -2.38 -0.14 0.00 -1.46 0.00 0.00 37.83 33.75 1oz0 s LYS 480 CO 0.49 0.58 1.35 0.00 0.16 0.00 0.00 175.35 177.93 1oz0 n ALA 481 N 1.56 0.80 0.00 3.13 0.00 -1.26 -2.99 120.51 121.75 1oz0 n ALA 481 Ca -0.16 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1oz0 n ALA 481 Cb 0.52 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 2.04 1.56 3.69 0.00 0.00 -1.26 -5.09 105.19 106.12 1oz0 n GLY 482 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.86 5.21 0.76 1.61 1.01 -1.16 -5.07 120.40 120.90 1oz0 s VAL 483 Ca 0.00 0.73 -0.11 0.00 0.00 0.00 0.00 61.98 62.60 1oz0 s VAL 483 Cb 0.00 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.69 1oz0 s VAL 483 CO 0.00 0.29 1.10 -0.54 0.00 0.00 0.00 175.10 175.95 1oz0 s LYS 484 N 1.05 2.44 0.30 2.72 1.02 -1.26 -4.88 119.74 121.13 1oz0 s LYS 484 Ca 0.20 0.52 0.03 0.00 0.02 0.00 0.00 55.97 56.75 1oz0 s LYS 484 Cb -0.14 -1.97 0.62 0.00 -0.52 0.00 0.00 37.83 35.82 1oz0 s LYS 484 CO 0.08 -1.34 1.85 -0.09 -0.92 0.00 0.00 175.35 174.92 1oz0 h ARG 485 N -0.88 0.89 -0.41 1.68 2.43 -1.97 -2.20 114.38 113.92 1oz0 h ARG 485 Ca -0.46 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.52 1oz0 h ARG 485 Cb 1.26 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1oz0 h ARG 485 CO 0.62 0.59 -0.28 0.00 -1.51 0.00 0.00 179.97 179.39 1oz0 h ALA 486 N 1.56 0.73 0.00 2.80 0.00 -1.96 -1.75 119.26 120.63 1oz0 h ALA 486 Ca 0.48 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1oz0 h ALA 486 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1oz0 h ALA 486 CO -0.25 0.66 -0.41 0.93 0.00 0.00 0.00 179.25 180.18 1oz0 h GLU 487 N 0.75 0.00 0.03 0.00 3.07 -1.79 -0.44 114.58 116.20 1oz0 h GLU 487 Ca 0.09 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1oz0 h GLU 487 Cb 0.84 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1oz0 h GLU 487 CO 0.07 0.41 -0.01 0.28 -1.40 0.00 0.00 179.01 178.36 1oz0 h VAL 488 N 0.00 1.40 -0.75 3.13 2.07 -1.34 -1.20 116.25 119.56 1oz0 h VAL 488 Ca -0.00 -1.71 0.15 0.00 0.82 0.00 0.00 66.70 65.95 1oz0 h VAL 488 Cb 0.91 2.49 -0.10 0.00 -1.52 0.00 0.00 31.29 33.07 1oz0 h VAL 488 CO 0.05 0.41 0.26 -1.28 0.02 0.00 0.00 177.57 177.04 1oz0 h SER 489 N -0.83 0.20 0.61 0.57 0.87 -1.27 0.17 113.55 113.86 1oz0 h SER 489 Ca -0.00 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1oz0 h SER 489 Cb 0.71 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1oz0 h SER 489 CO 0.01 0.06 -0.30 0.78 -0.53 0.00 0.00 176.83 176.84 1oz0 h ASN 490 N 0.39 -0.73 -0.30 6.23 2.35 -1.07 -0.69 115.58 121.76 1oz0 h ASN 490 Ca 0.42 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 56.25 1oz0 h ASN 490 Cb 0.66 0.19 -0.05 0.00 0.05 0.00 0.00 38.32 39.18 1oz0 h ASN 490 CO -0.44 -0.51 -0.00 0.00 -1.65 0.00 0.00 177.43 174.83 1oz0 h ALA 491 N -0.44 0.27 -0.74 -0.83 0.00 -0.51 -1.19 119.26 115.81 1oz0 h ALA 491 Ca -0.08 0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1oz0 h ALA 491 Cb 0.64 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1oz0 h ALA 491 CO 0.13 -0.41 0.42 0.82 0.00 0.00 0.00 179.25 180.21 1oz0 h ILE 492 N 0.08 0.96 -0.87 0.00 2.04 -0.91 0.88 117.51 119.68 1oz0 h ILE 492 Ca 0.15 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1oz0 h ILE 492 Cb 0.20 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 1oz0 h ILE 492 CO -0.25 0.14 0.52 0.44 0.00 0.00 0.00 178.15 179.00 1oz0 h ASP 493 N 0.76 1.05 1.34 1.72 3.32 0.04 -2.33 116.42 122.32 1oz0 h ASP 493 Ca 0.34 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 1oz0 h ASP 493 Cb 0.24 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1oz0 h ASP 493 CO -0.20 0.81 -0.69 0.06 -1.72 0.00 0.00 179.24 177.50 1oz0 h GLN 494 N 1.21 0.00 -0.17 3.56 3.07 -0.67 -2.95 115.11 119.16 1oz0 h GLN 494 Ca 0.31 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 59.00 1oz0 h GLN 494 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.51 1oz0 h GLN 494 CO -0.06 0.33 -0.09 -0.92 0.09 0.00 0.00 178.83 178.18 1oz0 h TYR 495 N 0.00 0.42 0.00 0.06 3.20 -0.57 -1.73 116.97 118.36 1oz0 h TYR 495 Ca -0.04 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 1oz0 h TYR 495 Cb 1.34 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.51 1oz0 h TYR 495 CO 0.00 0.68 -0.14 -0.39 -1.64 0.00 0.00 178.16 176.67 1oz0 h VAL 496 N 0.04 0.28 -0.19 1.81 -1.51 -1.53 -3.24 116.25 111.91 1oz0 h VAL 496 Ca 0.04 -1.11 0.00 0.00 -1.23 0.00 0.00 66.70 64.40 1oz0 h VAL 496 Cb 0.57 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1oz0 h VAL 496 CO 0.03 0.14 0.00 0.35 -1.23 0.00 0.00 177.57 176.85 1oz0 n THR 497 N -3.19 0.27 -1.40 7.19 -2.24 -1.11 -4.96 114.28 108.84 1oz0 n THR 497 Ca 0.02 -0.63 -0.15 0.00 -2.27 0.00 0.00 64.05 61.02 1oz0 n THR 497 Cb 0.48 1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 69.84 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 1.23 1.39 2.91 3.38 0.00 -0.67 -4.86 105.19 108.57 1oz0 n GLY 498 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.15 5.39 0.02 2.61 -2.24 -1.07 -4.69 114.28 112.15 1oz0 n THR 499 Ca -0.15 -5.93 -0.14 0.00 -2.27 0.00 0.00 64.05 55.57 1oz0 n THR 499 Cb 0.58 -1.96 -0.14 0.00 -2.10 0.00 0.00 70.33 66.71 1oz0 n THR 499 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1oz0 h ILE 500 N 3.17 0.99 0.00 2.28 6.09 -1.89 -3.43 117.51 124.70 1oz0 h ILE 500 Ca 0.27 -2.73 0.00 0.00 -1.37 0.00 0.00 64.86 61.03 1oz0 h ILE 500 Cb 0.55 2.59 0.00 0.00 0.47 0.00 0.00 36.82 40.44 1oz0 h ILE 500 CO 1.29 0.73 0.00 0.61 -3.07 0.00 0.00 178.15 177.70 1oz0 n GLY 501 N 1.66 1.44 0.00 8.18 0.00 -1.26 -4.70 105.19 110.51 1oz0 n GLY 501 Ca -0.18 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1oz0 n GLY 501 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1oz0 n GLU 502 N 0.00 0.55 0.19 1.61 1.02 -1.26 -5.03 120.64 117.71 1oz0 n GLU 502 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 1oz0 n GLU 502 Cb 0.00 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 31.79 1oz0 n GLU 502 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1oz0 h ASP 503 N 0.00 0.00 0.37 1.62 3.32 -1.99 -2.71 116.42 117.03 1oz0 h ASP 503 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1oz0 h ASP 503 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1oz0 h ASP 503 CO 0.00 0.37 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.63 1oz0 h GLU 504 N 0.00 -0.48 0.00 3.56 4.81 -1.97 -2.97 114.58 117.52 1oz0 h GLU 504 Ca -0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1oz0 h GLU 504 Cb 0.70 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1oz0 h GLU 504 CO 0.05 -0.32 0.16 -3.47 -0.73 0.00 0.00 179.01 174.70 1oz0 n ASP 505 N -3.74 0.46 -0.01 1.04 2.03 -1.23 -0.90 116.55 114.20 1oz0 n ASP 505 Ca -0.06 0.66 -0.17 0.00 0.52 0.00 0.00 54.79 55.74 1oz0 n ASP 505 Cb 0.20 -0.67 -0.10 0.00 -0.72 0.00 0.00 41.12 39.83 1oz0 n ASP 505 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1oz0 h LEU 506 N 0.00 0.55 -0.14 -2.67 5.85 -1.33 -1.90 115.31 115.66 1oz0 h LEU 506 Ca 0.00 -0.70 0.02 0.00 0.84 0.00 0.00 57.88 58.03 1oz0 h LEU 506 Cb 0.32 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1oz0 h LEU 506 CO 0.00 1.17 0.04 0.58 -0.34 0.00 0.00 178.44 179.89 1oz0 h VAL 507 N -0.03 0.95 -0.93 1.05 2.07 -0.88 0.15 116.25 118.63 1oz0 h VAL 507 Ca -0.05 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1oz0 h VAL 507 Cb 1.21 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1oz0 h VAL 507 CO 0.11 0.02 0.61 0.50 0.02 0.00 0.00 177.57 178.83 1oz0 h LYS 508 N 0.10 1.19 -0.38 1.57 3.64 -1.60 0.24 116.57 121.33 1oz0 h LYS 508 Ca 0.06 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1oz0 h LYS 508 Cb 0.05 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 1oz0 h LYS 508 CO -0.08 0.78 0.08 2.35 -2.27 0.00 0.00 179.45 180.32 1oz0 h TRP 509 N 1.22 0.65 -0.06 1.91 7.01 -0.66 -2.86 115.95 123.17 1oz0 h TRP 509 Ca 0.35 -0.08 -0.12 0.00 2.11 0.00 0.00 58.89 61.15 1oz0 h TRP 509 Cb -0.08 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 26.78 1oz0 h TRP 509 CO -0.01 0.64 -0.50 1.96 -2.79 0.00 0.00 178.44 177.74 1oz0 h GLN 510 N 0.47 0.17 -0.93 2.65 4.20 -0.33 -3.11 115.11 118.23 1oz0 h GLN 510 Ca 0.12 -0.09 0.14 0.00 0.06 0.00 0.00 58.65 58.88 1oz0 h GLN 510 Cb 0.33 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.04 1oz0 h GLN 510 CO 0.00 0.63 0.59 0.00 -0.67 0.00 0.00 178.83 179.39 1oz0 h ALA 511 N 1.35 1.74 0.00 3.87 0.00 -0.29 -0.91 119.26 125.02 1oz0 h ALA 511 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1oz0 h ALA 511 Cb 0.94 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1oz0 h ALA 511 CO 0.07 0.01 -0.19 0.52 0.00 0.00 0.00 179.25 179.66 1oz0 h MET 512 N 0.78 0.00 -6.51 0.00 2.86 -1.50 -3.45 114.93 107.12 1oz0 h MET 512 Ca 0.47 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.58 1oz0 h MET 512 Cb 0.67 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1oz0 h MET 512 CO -0.23 0.19 -0.08 -0.06 1.06 0.00 0.00 176.91 177.79 1oz0 s PHE 513 N -4.05 3.43 -1.48 -0.22 0.40 -0.35 -2.70 117.98 113.01 1oz0 s PHE 513 Ca -0.02 0.89 0.17 0.00 -0.60 0.00 0.00 56.93 57.36 1oz0 s PHE 513 Cb 0.13 -2.28 0.46 0.00 0.51 0.00 0.00 43.02 41.84 1oz0 s PHE 513 CO 0.62 0.21 1.38 -1.91 0.70 0.00 0.00 175.22 176.22 1oz0 n GLU 514 N -0.37 2.73 -2.66 0.44 4.07 0.80 -4.58 120.64 121.07 1oz0 n GLU 514 Ca 0.01 -2.31 -0.04 0.00 -0.06 0.00 0.00 57.16 54.75 1oz0 n GLU 514 Cb 0.53 -1.41 0.07 0.00 -0.06 0.00 0.00 31.44 30.56 1oz0 n GLU 514 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1oz0 n GLU 515 N 1.07 0.10 -1.65 5.31 2.13 -1.24 -5.01 120.64 121.36 1oz0 n GLU 515 Ca 0.18 -0.67 -0.66 0.00 0.66 0.00 0.00 57.16 56.66 1oz0 n GLU 515 Cb 0.52 -0.09 -0.10 0.00 0.27 0.00 0.00 31.44 32.04 1oz0 n GLU 515 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1oz0 n VAL 516 N 1.77 0.01 -2.28 6.31 0.31 -1.26 -4.40 118.33 118.79 1oz0 n VAL 516 Ca 0.04 -0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.97 1oz0 n VAL 516 Cb 0.70 -0.54 -0.02 0.00 -0.91 0.00 0.00 33.84 33.06 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 3.64 4.20 -0.04 5.55 0.04 -1.26 -4.97 135.00 142.16 1oz0 s PRO 517 Ca 1.08 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 63.73 1oz0 s PRO 517 Cb -1.48 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 30.18 1oz0 s PRO 517 CO 0.78 -0.22 1.48 0.00 0.04 0.00 0.00 177.00 179.08 1oz0 s ALA 518 N -1.32 3.62 0.54 8.56 0.00 -1.26 -4.94 121.76 126.96 1oz0 s ALA 518 Ca 0.54 0.85 -0.18 0.00 0.00 0.00 0.00 51.96 53.16 1oz0 s ALA 518 Cb -0.33 -3.66 -0.12 0.00 0.00 0.00 0.00 23.12 19.02 1oz0 s ALA 518 CO 0.42 -1.13 0.20 1.04 0.00 0.00 0.00 175.76 176.28 1oz0 n GLN 519 N 6.19 0.25 -2.78 0.00 1.13 -1.26 -4.88 117.38 116.03 1oz0 n GLN 519 Ca 0.15 0.10 -0.42 0.00 -1.94 0.00 0.00 57.00 54.89 1oz0 n GLN 519 Cb 0.43 -1.36 -0.03 0.00 0.11 0.00 0.00 30.24 29.39 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 2.86 4.27 0.49 1.08 1.43 -1.26 -5.02 118.68 122.53 1oz0 s LEU 520 Ca 0.63 1.45 -0.18 0.00 -1.03 0.00 0.00 54.13 55.00 1oz0 s LEU 520 Cb -0.47 -3.43 -0.09 0.00 0.03 0.00 0.00 46.19 42.23 1oz0 s LEU 520 CO 0.60 -0.34 0.97 0.42 0.23 0.00 0.00 176.35 178.23 1oz0 s THR 521 N 1.61 4.49 0.59 5.49 -4.23 -1.26 -4.84 115.64 117.49 1oz0 s THR 521 Ca 0.46 1.29 0.29 0.00 -1.18 0.00 0.00 61.69 62.55 1oz0 s THR 521 Cb -0.19 -3.69 0.37 0.00 1.34 0.00 0.00 72.50 70.34 1oz0 s THR 521 CO 0.20 -0.58 1.99 -0.08 -0.54 0.00 0.00 174.62 175.60 1oz0 h GLU 522 N 1.20 0.00 0.01 3.99 4.57 -2.00 0.56 114.58 122.91 1oz0 h GLU 522 Ca -0.47 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 57.64 1oz0 h GLU 522 Cb 1.18 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.78 1oz0 h GLU 522 CO 0.61 0.00 -0.27 0.00 -1.18 0.00 0.00 179.01 178.17 1oz0 h ALA 523 N 1.59 0.02 -0.28 2.92 0.00 -2.00 -3.07 119.26 118.44 1oz0 h ALA 523 Ca 0.14 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1oz0 h ALA 523 Cb 0.84 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1oz0 h ALA 523 CO -0.00 0.10 0.14 0.93 0.00 0.00 0.00 179.25 180.42 1oz0 h GLU 524 N -0.53 0.40 -0.78 0.00 5.08 -1.32 -0.77 114.58 116.67 1oz0 h GLU 524 Ca -0.04 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.38 1oz0 h GLU 524 Cb 1.05 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.14 1oz0 h GLU 524 CO 0.05 0.38 0.40 0.87 -1.00 0.00 0.00 179.01 179.71 1oz0 h LYS 525 N 0.33 0.63 -0.17 2.33 1.57 -1.27 0.73 116.57 120.72 1oz0 h LYS 525 Ca 0.10 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1oz0 h LYS 525 Cb 0.10 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1oz0 h LYS 525 CO -0.01 0.42 0.08 -0.22 -0.57 0.00 0.00 179.45 179.14 1oz0 h LYS 526 N 0.65 0.25 -0.53 3.15 3.64 -1.35 -0.59 116.57 121.79 1oz0 h LYS 526 Ca 0.40 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.71 1oz0 h LYS 526 Cb 0.46 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1oz0 h LYS 526 CO -0.30 0.30 0.22 0.37 -2.27 0.00 0.00 179.45 177.77 1oz0 h GLN 527 N 0.14 0.79 -0.64 1.90 5.75 -0.29 -2.49 115.11 120.27 1oz0 h GLN 527 Ca 0.06 -0.14 -0.09 0.00 -0.15 0.00 0.00 58.65 58.33 1oz0 h GLN 527 Cb 0.13 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1oz0 h GLN 527 CO -0.01 0.68 0.06 2.35 -2.65 0.00 0.00 178.83 179.27 1oz0 h TRP 528 N 0.71 1.16 -0.31 3.99 2.91 -0.73 -2.95 115.95 120.74 1oz0 h TRP 528 Ca 0.18 -0.18 -0.06 0.00 1.13 0.00 0.00 58.89 59.96 1oz0 h TRP 528 Cb 0.19 -0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 28.51 1oz0 h TRP 528 CO 0.00 1.00 -0.05 0.82 -1.03 0.00 0.00 178.44 179.18 1oz0 h ILE 529 N 0.99 1.21 0.00 2.65 2.04 -1.01 -1.35 117.51 122.04 1oz0 h ILE 529 Ca 0.19 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1oz0 h ILE 529 Cb 0.50 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1oz0 h ILE 529 CO 0.02 0.29 0.00 0.00 0.00 0.00 0.00 178.15 178.46 1oz0 h ALA 530 N 1.47 1.00 0.00 1.87 0.00 -1.27 -2.17 119.26 120.17 1oz0 h ALA 530 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1oz0 h ALA 530 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1oz0 h ALA 530 CO 0.02 0.00 -0.07 1.17 0.00 0.00 0.00 179.25 180.37 1oz0 n LYS 531 N -2.88 0.12 -2.92 0.00 4.81 -0.51 -4.81 118.16 111.97 1oz0 n LYS 531 Ca -0.01 0.09 -0.40 0.00 -0.87 0.00 0.00 58.31 57.12 1oz0 n LYS 531 Cb 0.15 -1.63 -0.05 0.00 0.02 0.00 0.00 35.03 33.52 1oz0 n LYS 531 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1oz0 s LEU 532 N -3.65 4.53 0.00 3.14 2.96 -0.82 -5.04 118.68 119.79 1oz0 s LEU 532 Ca 0.12 1.62 -0.01 0.00 -0.22 0.00 0.00 54.13 55.64 1oz0 s LEU 532 Cb 0.16 -3.34 0.00 0.00 0.50 0.00 0.00 46.19 43.51 1oz0 s LEU 532 CO 0.58 0.08 0.48 0.35 -1.32 0.00 0.00 176.35 176.52 1oz0 n THR 533 N 2.26 0.00 -2.71 3.68 -2.24 -1.26 -3.99 114.28 110.02 1oz0 n THR 533 Ca -0.03 -1.90 -0.20 0.00 -2.27 0.00 0.00 64.05 59.66 1oz0 n THR 533 Cb 0.49 1.14 0.01 0.00 -2.10 0.00 0.00 70.33 69.87 1oz0 n THR 533 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oz0 n ALA 534 N -0.64 -0.82 -2.11 6.98 0.00 -1.09 -4.94 120.51 117.90 1oz0 n ALA 534 Ca -0.14 0.18 -0.37 0.00 0.00 0.00 0.00 53.44 53.11 1oz0 n ALA 534 Cb 0.60 -2.63 -0.06 0.00 0.00 0.00 0.00 19.45 17.37 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 -2.98 4.55 0.08 0.00 1.01 -0.34 -4.83 120.40 117.90 1oz0 s VAL 535 Ca 0.14 1.38 0.03 0.00 0.00 0.00 0.00 61.98 63.52 1oz0 s VAL 535 Cb -0.07 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1oz0 s VAL 535 CO 0.17 0.37 0.09 -0.44 0.00 0.00 0.00 175.10 175.29 1oz0 s SER 536 N -1.41 5.63 -0.02 3.32 0.01 -0.47 -0.59 113.70 120.17 1oz0 s SER 536 Ca 0.38 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1oz0 s SER 536 Cb -0.19 -1.54 0.02 0.00 0.21 0.00 0.00 66.02 64.52 1oz0 s SER 536 CO 0.22 0.17 0.01 -0.22 0.41 0.00 0.00 173.24 173.84 1oz0 s LEU 537 N -2.39 1.23 -0.05 2.44 1.98 0.41 -0.52 118.68 121.78 1oz0 s LEU 537 Ca 0.30 0.01 0.04 0.00 -2.89 0.00 0.00 54.13 51.59 1oz0 s LEU 537 Cb -0.12 -0.12 -0.00 0.00 0.66 0.00 0.00 46.19 46.61 1oz0 s LEU 537 CO 0.23 -0.10 -0.18 -0.55 -1.89 0.00 0.00 176.35 173.86 1oz0 s SER 538 N 0.91 2.29 -0.07 3.68 0.15 0.04 -0.44 113.70 120.26 1oz0 s SER 538 Ca -0.08 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.23 1oz0 s SER 538 Cb -0.11 -0.72 -0.02 0.00 -1.71 0.00 0.00 66.02 63.46 1oz0 s SER 538 CO -0.02 0.15 -0.19 -0.55 1.20 0.00 0.00 173.24 173.82 1oz0 s SER 539 N 0.11 3.55 0.00 5.45 0.15 -0.85 -0.54 113.70 121.57 1oz0 s SER 539 Ca -0.06 -0.38 0.24 0.00 0.70 0.00 0.00 55.95 56.45 1oz0 s SER 539 Cb -0.13 -0.97 1.12 0.00 -1.71 0.00 0.00 66.02 64.33 1oz0 s SER 539 CO 0.03 0.26 1.77 -0.90 1.20 0.00 0.00 173.24 175.61 1oz0 n ASP 540 N 2.84 0.00 -4.06 5.45 5.75 -0.67 -4.29 116.55 121.57 1oz0 n ASP 540 Ca -0.17 0.16 -0.10 0.00 -0.01 0.00 0.00 54.79 54.66 1oz0 n ASP 540 Cb 0.52 -0.37 -0.07 0.00 -1.03 0.00 0.00 41.12 40.17 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 -2.73 0.31 0.61 2.12 0.00 -1.26 -1.68 121.76 119.12 1oz0 s ALA 541 Ca 0.18 -1.16 -0.17 0.00 0.00 0.00 0.00 51.96 50.80 1oz0 s ALA 541 Cb 0.16 1.11 -0.03 0.00 0.00 0.00 0.00 23.12 24.36 1oz0 s ALA 541 CO 0.39 -0.70 1.14 -0.59 0.00 0.00 0.00 175.76 176.00 1oz0 s PHE 542 N -4.05 2.55 -0.22 0.00 -0.12 -1.25 -4.41 117.98 110.48 1oz0 s PHE 542 Ca 0.26 1.55 -0.29 0.00 -0.05 0.00 0.00 56.93 58.40 1oz0 s PHE 542 Cb 0.03 -3.30 0.01 0.00 -0.63 0.00 0.00 43.02 39.12 1oz0 s PHE 542 CO 0.07 -1.82 1.06 -0.06 -0.05 0.00 0.00 175.22 174.42 1oz0 s PHE 543 N -1.94 3.30 0.17 3.49 0.08 -1.26 -4.92 117.98 116.89 1oz0 s PHE 543 Ca 0.72 1.43 0.09 0.00 0.12 0.00 0.00 56.93 59.29 1oz0 s PHE 543 Cb -0.24 -3.29 0.04 0.00 -0.57 0.00 0.00 43.02 38.95 1oz0 s PHE 543 CO 0.34 -0.59 1.42 -1.00 -0.10 0.00 0.00 175.22 175.29 1oz0 h PRO 544 N 7.51 0.00 -4.26 0.24 0.13 -1.96 -3.44 132.00 130.22 1oz0 h PRO 544 Ca -0.20 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.79 1oz0 h PRO 544 Cb 1.07 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.04 1oz0 h PRO 544 CO 0.97 0.82 -0.68 -0.06 -0.23 0.00 0.00 178.00 178.82 1oz0 s PHE 545 N -3.08 0.53 -0.95 1.56 0.40 -1.26 -4.63 117.98 110.54 1oz0 s PHE 545 Ca 0.00 -0.98 0.19 0.00 -0.60 0.00 0.00 56.93 55.54 1oz0 s PHE 545 Cb 0.11 -0.38 0.80 0.00 0.51 0.00 0.00 43.02 44.06 1oz0 s PHE 545 CO 0.79 -0.33 1.60 2.89 0.70 0.00 0.00 175.22 180.88 1oz0 n ARG 546 N 0.29 0.02 0.14 0.44 1.85 -1.26 -3.07 116.66 115.08 1oz0 n ARG 546 Ca -0.15 0.21 0.19 0.00 -1.00 0.00 0.00 57.85 57.09 1oz0 n ARG 546 Cb 0.60 -1.54 0.78 0.00 -1.05 0.00 0.00 32.46 31.25 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 0.15 2.89 3.04 -1.98 -0.75 116.42 119.77 1oz0 h ASP 547 Ca 0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 1oz0 h ASP 547 Cb 0.33 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.62 1oz0 h ASP 547 CO 0.00 0.00 -0.07 0.78 -2.04 0.00 0.00 179.24 177.91 1oz0 h ASN 548 N 0.00 -0.18 0.64 4.15 2.35 -1.94 -1.50 115.58 119.10 1oz0 h ASN 548 Ca 0.15 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1oz0 h ASN 548 Cb 0.85 0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.26 1oz0 h ASN 548 CO -0.00 0.22 -0.02 1.62 -1.65 0.00 0.00 177.43 177.60 1oz0 h VAL 549 N -0.60 0.07 0.07 2.81 3.04 -1.43 0.13 116.25 120.35 1oz0 h VAL 549 Ca -0.02 -0.37 -0.25 0.00 -1.01 0.00 0.00 66.70 65.05 1oz0 h VAL 549 Cb 0.45 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 31.06 1oz0 h VAL 549 CO 0.03 0.02 -1.13 0.44 -1.01 0.00 0.00 177.57 175.92 1oz0 h ASP 550 N 0.00 0.23 0.08 3.17 3.32 -1.02 -2.47 116.42 119.73 1oz0 h ASP 550 Ca -0.00 -0.25 -0.25 0.00 0.02 0.00 0.00 57.03 56.55 1oz0 h ASP 550 Cb 0.34 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 39.84 1oz0 h ASP 550 CO 0.00 1.19 -1.05 -0.09 -1.72 0.00 0.00 179.24 177.58 1oz0 h ARG 551 N 0.04 0.56 -0.20 3.56 9.65 -0.39 -3.24 114.38 124.36 1oz0 h ARG 551 Ca -0.08 -0.72 0.04 0.00 -1.10 0.00 0.00 59.98 58.13 1oz0 h ARG 551 Cb 1.88 0.23 -0.04 0.00 -1.39 0.00 0.00 29.97 30.65 1oz0 h ARG 551 CO 0.17 1.31 -0.07 0.00 2.80 0.00 0.00 179.97 184.18 1oz0 h ALA 552 N 0.28 0.11 -0.95 2.80 0.00 -0.83 -2.39 119.26 118.29 1oz0 h ALA 552 Ca -0.15 0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.99 1oz0 h ALA 552 Cb 1.74 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.63 1oz0 h ALA 552 CO 0.20 -0.49 0.60 -0.22 0.00 0.00 0.00 179.25 179.34 1oz0 h LYS 553 N -0.03 0.72 0.00 0.00 1.63 -1.52 0.19 116.57 117.56 1oz0 h LYS 553 Ca 0.10 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1oz0 h LYS 553 Cb 0.18 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1oz0 h LYS 553 CO -0.22 0.48 -0.03 0.00 -3.45 0.00 0.00 179.45 176.23 1oz0 h ARG 554 N 0.74 0.00 -0.42 1.90 3.08 -1.45 -1.67 114.38 116.57 1oz0 h ARG 554 Ca 0.50 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.53 1oz0 h ARG 554 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1oz0 h ARG 554 CO -0.26 0.03 0.02 1.51 -1.07 0.00 0.00 179.97 180.19 1oz0 n ILE 555 N -3.24 2.53 -1.17 2.04 0.13 0.03 -4.71 119.36 114.97 1oz0 n ILE 555 Ca -0.02 -1.72 0.00 0.00 -1.10 0.00 0.00 62.75 59.91 1oz0 n ILE 555 Cb 0.18 -0.28 0.00 0.00 -0.84 0.00 0.00 39.64 38.70 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 -0.09 0.38 3.74 4.50 0.00 -0.63 -4.75 105.19 108.35 1oz0 n GLY 556 Ca 0.26 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 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 3.76 0.00 1.61 1.01 -1.06 -1.19 120.40 122.53 1oz0 s VAL 557 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1oz0 s VAL 557 Cb 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1oz0 s VAL 557 CO 0.00 0.30 0.01 1.67 0.00 0.00 0.00 175.10 177.08 1oz0 n GLN 558 N 2.06 2.60 -3.84 2.72 7.27 0.24 -4.56 117.38 123.87 1oz0 n GLN 558 Ca 0.02 -0.01 -0.24 0.00 0.07 0.00 0.00 57.00 56.83 1oz0 n GLN 558 Cb 0.46 -0.23 -0.17 0.00 2.41 0.00 0.00 30.24 32.71 1oz0 n GLN 558 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1oz0 s PHE 559 N -0.37 0.97 -0.01 3.69 0.08 -1.06 0.14 117.98 121.41 1oz0 s PHE 559 Ca 0.00 -0.37 0.05 0.00 0.12 0.00 0.00 56.93 56.73 1oz0 s PHE 559 Cb 0.00 -0.95 -0.01 0.00 -0.57 0.00 0.00 43.02 41.49 1oz0 s PHE 559 CO 0.00 -0.39 -0.17 0.42 -0.10 0.00 0.00 175.22 174.98 1oz0 s ILE 560 N 1.83 1.36 -0.08 0.64 1.01 0.15 -0.44 121.20 125.66 1oz0 s ILE 560 Ca 0.04 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1oz0 s ILE 560 Cb -0.12 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.24 1oz0 s ILE 560 CO -0.06 0.37 -0.08 0.54 0.00 0.00 0.00 174.94 175.71 1oz0 s VAL 561 N -0.42 0.92 0.04 2.92 0.11 0.42 -0.24 120.40 124.15 1oz0 s VAL 561 Ca 0.07 -0.29 -0.22 0.00 -2.93 0.00 0.00 61.98 58.61 1oz0 s VAL 561 Cb -0.07 -0.91 0.05 0.00 -1.53 0.00 0.00 36.38 33.92 1oz0 s VAL 561 CO -0.01 0.33 0.50 0.00 -3.33 0.00 0.00 175.10 172.59 1oz0 s ALA 562 N 1.20 -1.26 0.66 1.54 0.00 -0.41 -2.00 121.76 121.49 1oz0 s ALA 562 Ca -0.05 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.33 1oz0 s ALA 562 Cb -0.14 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.32 1oz0 s ALA 562 CO -0.02 -0.48 1.09 -1.25 0.00 0.00 0.00 175.76 175.10 1oz0 s PRO 563 N -2.34 2.89 0.28 0.00 0.04 -1.26 -1.54 135.00 133.08 1oz0 s PRO 563 Ca -0.06 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.24 1oz0 s PRO 563 Cb -0.01 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.61 1oz0 s PRO 563 CO -0.01 -1.16 0.39 -1.13 0.04 0.00 0.00 177.00 175.13 1oz0 n SER 564 N -2.55 0.61 0.00 6.66 3.41 -0.31 -3.80 113.62 117.64 1oz0 n SER 564 Ca 0.09 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 1oz0 n SER 564 Cb 0.53 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1oz0 n SER 564 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oz0 n GLY 565 N 1.94 1.37 3.83 5.00 0.00 -1.26 -4.70 105.19 111.36 1oz0 n GLY 565 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.75 5.67 0.00 1.61 0.15 -1.26 -4.90 113.70 114.22 1oz0 s SER 566 Ca 0.00 1.59 0.29 0.00 0.70 0.00 0.00 55.95 58.53 1oz0 s SER 566 Cb 0.00 -2.49 1.32 0.00 -1.71 0.00 0.00 66.02 63.13 1oz0 s SER 566 CO 0.00 -1.25 1.91 0.00 1.20 0.00 0.00 173.24 175.11 1oz0 n ALA 567 N -2.87 2.71 -0.04 5.45 0.00 -1.26 -2.74 120.51 121.75 1oz0 n ALA 567 Ca 0.07 -0.25 0.09 0.00 0.00 0.00 0.00 53.44 53.35 1oz0 n ALA 567 Cb 0.54 -1.36 0.21 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.94 2.33 -0.16 0.00 0.00 -1.26 -4.66 120.51 115.82 1oz0 n ALA 568 Ca 0.16 -1.10 -0.07 0.00 0.00 0.00 0.00 53.44 52.42 1oz0 n ALA 568 Cb 0.26 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 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 3.39 -1.21 -0.24 0.00 5.19 -1.80 0.26 116.42 122.01 1oz0 h ASP 569 Ca 0.00 0.21 0.06 0.00 -0.62 0.00 0.00 57.03 56.68 1oz0 h ASP 569 Cb 0.85 0.57 -0.07 0.00 0.18 0.00 0.00 39.33 40.86 1oz0 h ASP 569 CO 0.00 -0.33 -0.29 -0.33 -3.12 0.00 0.00 179.24 175.17 1oz0 h GLU 570 N -0.23 -0.29 -0.76 3.56 5.08 -1.87 0.53 114.58 120.60 1oz0 h GLU 570 Ca 0.19 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1oz0 h GLU 570 Cb 0.55 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1oz0 h GLU 570 CO -0.61 -0.19 0.50 0.28 -1.00 0.00 0.00 179.01 177.99 1oz0 h VAL 571 N -0.30 1.11 -0.15 3.13 2.07 -1.64 0.82 116.25 121.29 1oz0 h VAL 571 Ca 0.13 -0.32 -0.19 0.00 0.82 0.00 0.00 66.70 67.15 1oz0 h VAL 571 Cb 0.51 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1oz0 h VAL 571 CO -0.41 0.17 -0.67 0.58 0.02 0.00 0.00 177.57 177.25 1oz0 h VAL 572 N 0.92 1.32 -0.37 2.57 2.07 0.97 -2.24 116.25 121.49 1oz0 h VAL 572 Ca 0.31 -1.96 -0.09 0.00 0.82 0.00 0.00 66.70 65.78 1oz0 h VAL 572 Cb 0.07 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1oz0 h VAL 572 CO -0.09 0.61 -0.13 0.40 0.02 0.00 0.00 177.57 178.37 1oz0 h ILE 573 N 0.43 1.25 -0.26 4.57 2.04 0.89 -2.80 117.51 123.63 1oz0 h ILE 573 Ca -0.02 -1.14 -0.10 0.00 1.00 0.00 0.00 64.86 64.59 1oz0 h ILE 573 Cb 1.26 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1oz0 h ILE 573 CO 0.13 0.38 -0.24 -0.33 0.00 0.00 0.00 178.15 178.09 1oz0 h GLU 574 N 0.60 0.63 -0.95 2.37 4.39 -0.77 -0.67 114.58 120.17 1oz0 h GLU 574 Ca 0.10 -0.32 0.16 0.00 0.34 0.00 0.00 59.36 59.64 1oz0 h GLU 574 Cb 0.57 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.15 1oz0 h GLU 574 CO 0.04 0.92 0.60 0.00 -1.16 0.00 0.00 179.01 179.41 1oz0 h ALA 575 N 0.70 1.79 -0.14 3.43 0.00 -1.29 -0.11 119.26 123.63 1oz0 h ALA 575 Ca 0.05 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1oz0 h ALA 575 Cb 0.79 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1oz0 h ALA 575 CO 0.06 -0.08 -0.36 0.00 0.00 0.00 0.00 179.25 178.87 1oz0 h ASN 577 N 0.09 0.60 0.05 0.00 2.35 0.51 0.32 115.58 119.51 1oz0 h ASN 577 Ca -0.01 0.04 -0.21 0.00 -0.55 0.00 0.00 56.30 55.57 1oz0 h ASN 577 Cb 0.98 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.26 1oz0 h ASN 577 CO 0.08 0.29 -1.12 1.05 -1.65 0.00 0.00 177.43 176.07 1oz0 h GLU 578 N 0.63 0.10 0.00 0.81 4.11 -1.17 -3.30 114.58 115.76 1oz0 h GLU 578 Ca 0.46 -0.17 0.00 0.00 0.07 0.00 0.00 59.36 59.71 1oz0 h GLU 578 Cb 0.82 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1oz0 h GLU 578 CO -0.21 1.08 0.00 1.28 0.07 0.00 0.00 179.01 181.24 1oz0 n LEU 579 N -4.23 0.00 -2.34 3.06 4.77 -0.43 -4.82 117.00 113.00 1oz0 n LEU 579 Ca -0.25 0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 55.75 1oz0 n LEU 579 Cb 0.74 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.75 1oz0 n LEU 579 CO 0.31 -0.09 0.08 0.61 -1.33 0.00 0.00 177.39 176.96 1oz0 n GLY 580 N -0.47 0.02 3.39 -0.72 0.00 -0.35 -5.04 105.19 102.02 1oz0 n GLY 580 Ca 0.06 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.20 2.80 -0.26 -0.61 1.01 -0.04 -4.89 121.20 116.01 1oz0 s ILE 581 Ca 0.08 -0.79 -0.24 0.00 0.00 0.00 0.00 60.65 59.70 1oz0 s ILE 581 Cb -0.03 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 1oz0 s ILE 581 CO 0.41 0.57 0.79 -0.89 0.00 0.00 0.00 174.94 175.82 1oz0 s THR 582 N -0.29 4.84 -0.12 2.92 2.01 0.12 -4.39 115.64 120.73 1oz0 s THR 582 Ca 0.02 1.39 -0.03 0.00 0.31 0.00 0.00 61.69 63.38 1oz0 s THR 582 Cb -0.13 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 1oz0 s THR 582 CO 0.03 -0.11 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.62 1oz0 s LEU 583 N 2.83 3.48 -0.17 4.42 2.96 -1.26 -0.67 118.68 130.26 1oz0 s LEU 583 Ca 0.33 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1oz0 s LEU 583 Cb -0.15 -1.82 0.03 0.00 0.50 0.00 0.00 46.19 44.75 1oz0 s LEU 583 CO 0.09 0.28 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.62 1oz0 s ILE 584 N -0.29 1.74 0.09 6.68 1.01 0.66 -1.67 121.20 129.42 1oz0 s ILE 584 Ca 0.06 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 1oz0 s ILE 584 Cb -0.12 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 1oz0 s ILE 584 CO 0.02 0.40 0.28 -1.00 0.00 0.00 0.00 174.94 174.64 1oz0 s HIS 585 N 1.40 3.51 0.27 3.97 3.76 -1.06 -1.29 115.29 125.85 1oz0 s HIS 585 Ca 0.03 0.40 0.02 0.00 -0.15 0.00 0.00 55.06 55.36 1oz0 s HIS 585 Cb -0.14 -1.88 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 1oz0 s HIS 585 CO -0.11 0.53 0.15 0.95 -0.85 0.00 0.00 174.74 175.42 1oz0 s THR 586 N -1.55 0.25 -0.35 1.30 -4.23 -0.59 -4.61 115.64 105.86 1oz0 s THR 586 Ca 0.37 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.94 1oz0 s THR 586 Cb -0.13 -2.53 0.47 0.00 1.34 0.00 0.00 72.50 71.66 1oz0 s THR 586 CO 0.26 0.00 1.44 0.59 -0.54 0.00 0.00 174.62 176.37 1oz0 n ASN 587 N -0.74 4.22 -3.74 3.99 3.02 -1.26 -1.16 115.26 119.59 1oz0 n ASN 587 Ca 0.02 -3.79 -0.30 0.00 -0.03 0.00 0.00 54.58 50.49 1oz0 n ASN 587 Cb 0.65 -0.58 -0.13 0.00 -0.61 0.00 0.00 39.78 39.11 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 -3.48 2.87 0.29 3.41 2.96 -1.26 -5.08 118.68 118.39 1oz0 s LEU 588 Ca 0.50 -2.68 -0.29 0.00 -0.22 0.00 0.00 54.13 51.44 1oz0 s LEU 588 Cb 0.42 -1.10 -0.09 0.00 0.50 0.00 0.00 46.19 45.92 1oz0 s LEU 588 CO 0.01 -0.26 1.08 -0.60 -1.32 0.00 0.00 176.35 175.26 1oz0 s ARG 589 N 0.27 4.61 -0.27 1.98 3.52 -1.26 -4.67 118.95 123.13 1oz0 s ARG 589 Ca 0.18 1.75 0.10 0.00 -0.13 0.00 0.00 55.73 57.62 1oz0 s ARG 589 Cb -0.24 -3.13 0.46 0.00 -1.56 0.00 0.00 34.95 30.47 1oz0 s ARG 589 CO -0.00 0.20 1.19 1.28 -0.81 0.00 0.00 175.30 177.16 1oz0 n LEU 590 N 1.09 4.17 -4.73 -0.88 4.77 -0.68 -5.06 117.00 115.67 1oz0 n LEU 590 Ca -0.01 -4.39 -0.40 0.00 -0.03 0.00 0.00 56.01 51.18 1oz0 n LEU 590 Cb 0.45 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1oz0 n LEU 590 CO 0.53 1.86 0.96 0.49 -1.33 0.00 0.00 177.39 179.90 1oz0 n PHE 591 N -0.75 2.32 -3.70 -1.77 3.72 -1.26 -4.57 117.46 111.45 1oz0 n PHE 591 Ca 0.36 0.46 -0.17 0.00 -0.05 0.00 0.00 57.45 58.04 1oz0 n PHE 591 Cb 0.91 -2.39 -0.16 0.00 -0.94 0.00 0.00 39.48 36.90 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 -1.24 -0.06 0.00 1.38 5.65 -1.26 -5.02 115.29 114.74 1oz0 s HIS 592 Ca 0.65 0.38 0.00 0.00 0.25 0.00 0.00 55.06 56.34 1oz0 s HIS 592 Cb -0.46 -0.30 0.00 0.00 -1.18 0.00 0.00 32.58 30.65 1oz0 s HIS 592 CO 0.55 -0.19 0.00 0.72 -0.65 0.00 0.00 174.74 175.17