#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ouj s VAL 12 N 0.00 0.14 -0.35 2.46 1.01 -1.26 -0.37 120.40 122.03 2ouj s VAL 12 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.20 2ouj s VAL 12 Cb 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 36.38 36.17 2ouj s VAL 12 CO 0.00 0.19 0.07 -0.36 0.00 0.00 0.00 175.10 175.00 2ouj s PHE 13 N 1.64 3.59 -0.41 5.22 0.40 0.49 -4.96 117.98 123.95 2ouj s PHE 13 Ca -0.01 -2.61 -0.24 0.00 -0.60 0.00 0.00 56.93 53.47 2ouj s PHE 13 Cb -0.13 -2.79 0.02 0.00 0.51 0.00 0.00 43.02 40.63 2ouj s PHE 13 CO -0.03 -0.93 0.82 0.34 0.70 0.00 0.00 175.22 176.12 2ouj s ASP 14 N 1.24 6.50 0.22 1.36 -1.08 -1.26 -0.63 116.67 123.02 2ouj s ASP 14 Ca 0.06 0.16 -0.08 0.00 -0.52 0.00 0.00 52.55 52.17 2ouj s ASP 14 Cb -0.20 -2.41 0.28 0.00 -1.46 0.00 0.00 42.92 39.13 2ouj s ASP 14 CO -0.06 -0.87 1.81 0.40 0.52 0.00 0.00 175.17 176.98 2ouj h ILE 15 N 5.90 0.96 -0.45 4.11 1.08 -1.43 -2.09 117.51 125.60 2ouj h ILE 15 Ca -0.24 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2ouj h ILE 15 Cb 1.09 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 2ouj h ILE 15 CO 0.96 0.13 0.28 -0.26 -0.69 0.00 0.00 178.15 178.57 2ouj h PHE 16 N 0.73 0.58 -0.41 1.37 0.05 -1.93 -1.61 116.94 115.71 2ouj h PHE 16 Ca 0.33 0.00 0.06 0.00 3.82 0.00 0.00 57.97 62.18 2ouj h PHE 16 Cb 0.22 -0.19 -0.05 0.00 2.00 0.00 0.00 35.95 37.93 2ouj h PHE 16 CO -0.07 0.39 0.10 0.93 -0.18 0.00 0.00 178.31 179.48 2ouj h GLU 17 N 0.60 0.23 -0.55 1.51 5.08 -1.82 -0.53 114.58 119.10 2ouj h GLU 17 Ca 0.16 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2ouj h GLU 17 Cb -0.03 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2ouj h GLU 17 CO -0.03 0.15 0.36 -0.07 -1.00 0.00 0.00 179.01 178.42 2ouj h LEU 18 N 0.24 0.64 -1.24 1.33 3.38 -1.00 -1.16 115.31 117.49 2ouj h LEU 18 Ca 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2ouj h LEU 18 Cb 0.23 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2ouj h LEU 18 CO -0.24 0.47 0.00 0.71 0.09 0.00 0.00 178.44 179.47 2ouj h THR 19 N 0.74 0.00 -0.17 0.22 1.35 -0.94 -3.38 112.91 110.74 2ouj h THR 19 Ca 0.20 -0.34 -0.07 0.00 -0.55 0.00 0.00 66.41 65.65 2ouj h THR 19 Cb -0.07 1.20 -0.03 0.00 -1.73 0.00 0.00 68.15 67.52 2ouj h THR 19 CO -0.04 0.00 -0.07 0.61 -0.25 0.00 0.00 175.52 175.77 2ouj n GLY 20 N -0.11 0.66 0.36 5.82 0.00 -0.44 -4.70 105.19 106.77 2ouj n GLY 20 Ca 0.01 -0.88 0.28 0.00 0.00 0.00 0.00 46.02 45.43 2ouj n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ouj n ALA 21 N 1.07 0.98 -2.01 4.61 0.00 -0.30 -3.49 120.51 121.36 2ouj n ALA 21 Ca -0.04 0.44 -0.42 0.00 0.00 0.00 0.00 53.44 53.42 2ouj n ALA 21 Cb 0.12 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 2ouj n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ouj n ALA 22 N -2.55 4.58 -3.64 0.00 0.00 -1.26 -4.84 120.51 112.80 2ouj n ALA 22 Ca 0.25 -3.81 -0.29 0.00 0.00 0.00 0.00 53.44 49.60 2ouj n ALA 22 Cb 1.07 -3.57 -0.12 0.00 0.00 0.00 0.00 19.45 16.83 2ouj n ALA 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2ouj s ARG 23 N 3.78 1.32 0.00 0.00 1.70 -1.23 -5.03 118.95 119.49 2ouj s ARG 23 Ca 0.51 -2.18 0.00 0.00 -0.47 0.00 0.00 55.73 53.59 2ouj s ARG 23 Cb 0.10 -2.20 0.00 0.00 -0.57 0.00 0.00 34.95 32.28 2ouj s ARG 23 CO -0.01 -1.24 0.00 1.17 -1.08 0.00 0.00 175.30 174.14 2ouj n LYS 24 N 3.18 0.00 0.00 3.89 4.81 -1.26 -3.15 118.16 125.63 2ouj n LYS 24 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2ouj n LYS 24 Cb 0.38 -0.58 0.00 0.00 0.02 0.00 0.00 35.03 34.85 2ouj n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ouj n GLY 25 N 0.00 -1.51 2.41 3.14 0.00 -1.26 -5.07 105.19 102.90 2ouj n GLY 25 Ca 0.00 0.43 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 2ouj n GLY 25 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ouj n SER 26 N 0.00 3.24 0.00 1.61 2.88 -1.19 -4.82 113.62 115.34 2ouj n SER 26 Ca 0.00 -3.33 0.00 0.00 -1.33 0.00 0.00 58.87 54.21 2ouj n SER 26 Cb 0.00 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 2ouj n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ouj n GLY 27 N 0.97 1.29 3.38 0.46 0.00 -1.26 -3.47 105.19 106.56 2ouj n GLY 27 Ca 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 2ouj n GLY 27 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ouj s ARG 28 N -0.84 1.11 -0.20 1.61 1.04 -1.26 0.30 118.95 120.70 2ouj s ARG 28 Ca 0.00 -0.42 -0.04 0.00 -1.04 0.00 0.00 55.73 54.23 2ouj s ARG 28 Cb 0.00 0.50 -0.02 0.00 -2.04 0.00 0.00 34.95 33.40 2ouj s ARG 28 CO 0.00 -0.43 -0.03 0.50 -0.04 0.00 0.00 175.30 175.29 2ouj s ARG 29 N -3.14 3.50 -0.04 3.89 6.06 -0.35 -4.57 118.95 124.30 2ouj s ARG 29 Ca -0.01 -0.58 -0.30 0.00 -2.50 0.00 0.00 55.73 52.34 2ouj s ARG 29 Cb -0.00 -2.99 -0.06 0.00 0.06 0.00 0.00 34.95 31.96 2ouj s ARG 29 CO -0.07 -0.03 1.69 -0.51 -2.50 0.00 0.00 175.30 173.88 2ouj s LEU 30 N 1.07 4.33 0.00 -0.88 1.43 -1.26 -1.31 118.68 122.06 2ouj s LEU 30 Ca 0.01 2.29 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 2ouj s LEU 30 Cb -0.15 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.54 2ouj s LEU 30 CO 0.00 -0.94 0.00 1.33 0.23 0.00 0.00 176.35 176.97 2ouj n VAL 31 N 5.49 0.00 -2.95 -1.59 0.24 0.17 -4.95 118.33 114.74 2ouj n VAL 31 Ca 0.18 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.10 2ouj n VAL 31 Cb 0.43 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.73 2ouj n VAL 31 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2ouj s LYS 32 N -1.48 4.45 0.11 7.34 2.20 -1.26 -2.54 119.74 128.56 2ouj s LYS 32 Ca 0.00 1.11 0.02 0.00 -0.36 0.00 0.00 55.97 56.74 2ouj s LYS 32 Cb 0.00 -2.93 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 2ouj s LYS 32 CO 0.00 0.39 -0.05 0.20 -0.36 0.00 0.00 175.35 175.52 2ouj s GLY 33 N -1.54 0.83 0.00 5.54 0.00 -1.26 -4.75 107.32 106.14 2ouj s GLY 33 Ca 0.44 -1.38 0.05 0.00 0.00 0.00 0.00 44.72 43.83 2ouj s GLY 33 CO 0.23 -1.46 0.89 -1.55 0.00 0.00 0.00 173.10 171.21 2ouj n PRO 34 N -0.07 0.10 -3.69 2.90 -0.04 -1.26 -3.99 135.00 128.95 2ouj n PRO 34 Ca -0.11 0.14 -0.38 0.00 -0.04 0.00 0.00 63.50 63.11 2ouj n PRO 34 Cb 0.61 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 2ouj n PRO 34 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2ouj s ASP 35 N -2.33 5.40 0.57 3.54 2.15 -1.26 -4.95 116.67 119.79 2ouj s ASP 35 Ca 0.06 -2.35 0.28 0.00 0.43 0.00 0.00 52.55 50.97 2ouj s ASP 35 Cb 0.03 -1.89 1.50 0.00 -0.30 0.00 0.00 42.92 42.27 2ouj s ASP 35 CO 0.07 -0.51 1.83 -0.65 -0.17 0.00 0.00 175.17 175.73 2ouj h PRO 36 N 7.73 0.00 -0.42 4.34 0.11 -2.03 -1.62 132.00 140.11 2ouj h PRO 36 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2ouj h PRO 36 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2ouj h PRO 36 CO 0.74 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.40 2ouj n SER 37 N -2.69 3.35 -3.99 -2.05 3.41 -1.26 -4.97 113.62 105.42 2ouj n SER 37 Ca -0.02 -1.97 -0.09 0.00 -0.26 0.00 0.00 58.87 56.53 2ouj n SER 37 Cb 0.30 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 63.88 2ouj n SER 37 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ouj s SER 38 N -1.41 0.29 0.22 4.04 0.15 -0.61 -5.15 113.70 111.23 2ouj s SER 38 Ca 0.40 -0.65 -0.28 0.00 0.70 0.00 0.00 55.95 56.12 2ouj s SER 38 Cb 0.23 0.17 -0.09 0.00 -1.71 0.00 0.00 66.02 64.62 2ouj s SER 38 CO 0.31 -0.46 0.88 -2.16 1.20 0.00 0.00 173.24 173.01 2ouj s PRO 39 N -2.57 4.72 -0.05 5.44 0.04 -1.26 -4.64 135.00 136.67 2ouj s PRO 39 Ca -0.06 1.34 0.01 0.00 0.04 0.00 0.00 61.00 62.34 2ouj s PRO 39 Cb -0.02 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 2ouj s PRO 39 CO -0.05 0.51 -0.06 0.00 0.04 0.00 0.00 177.00 177.45 2ouj s ALA 40 N -1.22 3.04 -0.20 8.56 0.00 -1.05 -4.58 121.76 126.30 2ouj s ALA 40 Ca 0.40 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 2ouj s ALA 40 Cb -0.24 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 2ouj s ALA 40 CO 0.29 0.59 -0.07 -0.06 0.00 0.00 0.00 175.76 176.51 2ouj s PHE 41 N -0.87 2.92 -0.29 0.00 0.40 -0.33 0.43 117.98 120.24 2ouj s PHE 41 Ca 0.14 -0.89 -0.18 0.00 -0.60 0.00 0.00 56.93 55.39 2ouj s PHE 41 Cb -0.11 -2.03 -0.02 0.00 0.51 0.00 0.00 43.02 41.37 2ouj s PHE 41 CO 0.03 -0.47 0.54 0.50 0.70 0.00 0.00 175.22 176.52 2ouj s ARG 42 N 1.18 3.92 0.30 0.44 3.52 -0.43 -1.08 118.95 126.80 2ouj s ARG 42 Ca 0.02 0.20 -0.29 0.00 -0.13 0.00 0.00 55.73 55.52 2ouj s ARG 42 Cb -0.14 -3.71 -0.10 0.00 -1.56 0.00 0.00 34.95 29.44 2ouj s ARG 42 CO -0.02 -0.48 1.32 0.42 -0.81 0.00 0.00 175.30 175.73 2ouj s ILE 43 N 2.41 2.81 0.00 4.11 -1.09 -0.18 -1.21 121.20 128.05 2ouj s ILE 43 Ca 0.22 0.77 0.00 0.00 -2.23 0.00 0.00 60.65 59.40 2ouj s ILE 43 Cb -0.15 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 2ouj s ILE 43 CO 0.11 0.16 0.00 -0.62 -1.23 0.00 0.00 174.94 173.36 2ouj n GLU 44 N 1.31 0.00 -3.05 2.79 1.02 0.15 -4.62 120.64 118.24 2ouj n GLU 44 Ca 0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.04 2ouj n GLU 44 Cb 0.42 -0.70 -0.03 0.00 -0.02 0.00 0.00 31.44 31.10 2ouj n GLU 44 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2ouj s ASP 45 N -4.03 -0.32 0.46 1.62 -1.08 0.45 -4.98 116.67 108.79 2ouj s ASP 45 Ca 0.00 -2.04 0.27 0.00 -0.52 0.00 0.00 52.55 50.27 2ouj s ASP 45 Cb 0.00 1.07 1.33 0.00 -1.46 0.00 0.00 42.92 43.85 2ouj s ASP 45 CO 0.00 -0.12 1.76 0.00 0.52 0.00 0.00 175.17 177.33 2ouj h ALA 46 N 5.58 2.66 -0.20 3.66 0.00 -1.86 0.44 119.26 129.55 2ouj h ALA 46 Ca 0.12 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2ouj h ALA 46 Cb 1.05 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2ouj h ALA 46 CO 0.14 -1.07 0.20 -0.91 0.00 0.00 0.00 179.25 177.61 2ouj h ASN 47 N 0.20 0.00 0.52 0.00 4.21 -1.92 -1.21 115.58 117.38 2ouj h ASN 47 Ca 0.62 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.13 2ouj h ASN 47 Cb 1.97 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.17 2ouj h ASN 47 CO -0.20 0.00 -0.78 0.18 -1.29 0.00 0.00 177.43 175.34 2ouj n LEU 48 N -3.93 0.63 -4.66 1.61 4.77 0.15 -4.81 117.00 110.76 2ouj n LEU 48 Ca 0.02 0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.59 2ouj n LEU 48 Cb 0.33 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 2ouj n LEU 48 CO 0.29 0.06 1.15 -0.63 -1.33 0.00 0.00 177.39 176.93 2ouj s ILE 49 N -3.12 4.11 0.67 -0.08 1.01 -0.46 -4.63 121.20 118.70 2ouj s ILE 49 Ca 0.07 1.35 -0.17 0.00 0.00 0.00 0.00 60.65 61.89 2ouj s ILE 49 Cb 0.15 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2ouj s ILE 49 CO 0.76 -0.11 1.27 -2.16 0.00 0.00 0.00 174.94 174.69 2ouj s PRO 50 N 3.58 2.41 0.84 2.79 0.04 -1.26 -4.89 135.00 138.51 2ouj s PRO 50 Ca 0.59 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 63.49 2ouj s PRO 50 Cb -0.25 -1.84 0.10 0.00 0.04 0.00 0.00 34.50 32.55 2ouj s PRO 50 CO 0.18 -1.68 1.12 -1.25 0.04 0.00 0.00 177.00 175.41 2ouj s PRO 51 N -3.54 1.69 0.24 0.56 0.04 -1.26 -4.75 135.00 127.99 2ouj s PRO 51 Ca 0.80 0.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 2ouj s PRO 51 Cb -0.35 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 2ouj s PRO 51 CO 0.41 -1.86 1.25 0.08 0.04 0.00 0.00 177.00 176.93 2ouj s VAL 52 N -3.22 3.20 0.50 -0.36 1.01 -0.59 -4.56 120.40 116.38 2ouj s VAL 52 Ca 0.62 1.07 -0.23 0.00 0.00 0.00 0.00 61.98 63.44 2ouj s VAL 52 Cb -0.14 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 2ouj s VAL 52 CO 0.54 0.20 1.34 -2.65 0.00 0.00 0.00 175.10 174.53 2ouj n PRO 53 N 1.95 1.84 -0.08 2.72 -0.02 -1.26 -4.62 135.00 135.53 2ouj n PRO 53 Ca 0.03 0.67 -0.10 0.00 -2.02 0.00 0.00 63.50 62.08 2ouj n PRO 53 Cb 0.43 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 2ouj n PRO 53 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2ouj h ASP 54 N 1.72 -1.26 -0.90 2.55 5.19 -1.92 0.15 116.42 121.95 2ouj h ASP 54 Ca -0.50 0.19 0.03 0.00 -0.62 0.00 0.00 57.03 56.13 2ouj h ASP 54 Cb 1.30 0.55 -0.05 0.00 0.18 0.00 0.00 39.33 41.30 2ouj h ASP 54 CO 0.58 -0.37 0.58 -2.24 -3.12 0.00 0.00 179.24 174.67 2ouj h ASP 55 N -0.36 0.97 0.75 6.45 3.04 -1.95 0.19 116.42 125.51 2ouj h ASP 55 Ca 0.13 -0.01 -0.04 0.00 -3.24 0.00 0.00 57.03 53.86 2ouj h ASP 55 Cb 0.58 -0.22 -0.01 0.00 -1.04 0.00 0.00 39.33 38.64 2ouj h ASP 55 CO -0.50 0.67 -0.20 0.11 -2.04 0.00 0.00 179.24 177.28 2ouj h LYS 56 N 1.14 0.00 0.19 4.15 1.57 -1.72 -2.60 116.57 119.29 2ouj h LYS 56 Ca 0.35 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.83 2ouj h LYS 56 Cb -0.01 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.32 2ouj h LYS 56 CO -0.11 0.20 -1.38 0.35 -0.57 0.00 0.00 179.45 177.94 2ouj h PHE 57 N 0.00 0.74 -0.72 -1.35 3.57 0.49 -3.26 116.94 116.40 2ouj h PHE 57 Ca -0.00 -0.54 0.12 0.00 3.53 0.00 0.00 57.97 61.08 2ouj h PHE 57 Cb 0.63 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 2ouj h PHE 57 CO 0.00 1.43 0.48 0.37 -2.23 0.00 0.00 178.31 178.36 2ouj h GLN 58 N 0.11 0.51 -0.45 1.11 5.75 -0.30 -0.37 115.11 121.47 2ouj h GLN 58 Ca -0.20 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.16 2ouj h GLN 58 Cb 2.07 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 30.50 2ouj h GLN 58 CO 0.24 0.34 -0.14 -0.44 -2.65 0.00 0.00 178.83 176.18 2ouj h ASP 59 N 0.52 0.90 -0.12 -0.69 3.32 -1.56 -2.50 116.42 116.30 2ouj h ASP 59 Ca 0.34 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 2ouj h ASP 59 Cb 0.62 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2ouj h ASP 59 CO -0.12 1.06 0.07 0.25 -1.72 0.00 0.00 179.24 178.79 2ouj h LEU 60 N 0.72 0.14 -0.38 1.55 5.85 -1.18 -1.93 115.31 120.08 2ouj h LEU 60 Ca 0.11 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.88 2ouj h LEU 60 Cb 0.69 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.60 2ouj h LEU 60 CO 0.05 0.13 -0.16 0.58 -0.34 0.00 0.00 178.44 178.70 2ouj h VAL 61 N 0.14 0.50 -0.78 1.05 2.07 -1.22 0.42 116.25 118.42 2ouj h VAL 61 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 2ouj h VAL 61 Cb 0.01 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2ouj h VAL 61 CO -0.01 0.00 0.37 0.44 0.02 0.00 0.00 177.57 178.39 2ouj h ASP 62 N -0.09 1.03 -0.55 0.57 3.45 -1.26 0.20 116.42 119.77 2ouj h ASP 62 Ca 0.19 -0.14 -0.02 0.00 0.43 0.00 0.00 57.03 57.49 2ouj h ASP 62 Cb 0.37 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.85 2ouj h ASP 62 CO -0.43 0.88 0.28 0.00 -1.57 0.00 0.00 179.24 178.40 2ouj h ALA 63 N 1.19 0.71 -0.54 3.45 0.00 -0.66 0.12 119.26 123.54 2ouj h ALA 63 Ca 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2ouj h ALA 63 Cb 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2ouj h ALA 63 CO -0.03 0.25 0.25 0.28 0.00 0.00 0.00 179.25 179.99 2ouj h VAL 64 N 0.74 1.20 -0.11 0.00 2.07 -0.53 -0.74 116.25 118.88 2ouj h VAL 64 Ca 0.19 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 2ouj h VAL 64 Cb 0.09 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2ouj h VAL 64 CO -0.03 0.23 -0.15 0.03 0.02 0.00 0.00 177.57 177.68 2ouj h ARG 65 N 0.72 0.18 -0.05 1.57 3.08 -0.41 0.72 114.38 120.18 2ouj h ARG 65 Ca 0.18 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 60.03 2ouj h ARG 65 Cb 0.14 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.18 2ouj h ARG 65 CO -0.02 0.33 -0.59 1.15 -1.07 0.00 0.00 179.97 179.77 2ouj h THR 66 N 0.17 1.38 0.00 2.04 2.02 -0.29 -3.30 112.91 114.93 2ouj h THR 66 Ca 0.03 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 65.24 2ouj h THR 66 Cb 0.37 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 2ouj h THR 66 CO 0.02 0.59 -0.31 -0.08 0.37 0.00 0.00 175.52 176.11 2ouj h GLU 67 N 0.05 0.00 -2.27 6.66 4.81 -0.87 -3.47 114.58 119.49 2ouj h GLU 67 Ca -0.06 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.90 2ouj h GLU 67 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2ouj h GLU 67 CO 0.12 0.00 -0.36 1.63 -0.73 0.00 0.00 179.01 179.67 2ouj n LYS 68 N -2.87 -1.69 -3.83 1.92 4.76 0.25 -4.85 118.16 111.85 2ouj n LYS 68 Ca 0.03 0.65 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 2ouj n LYS 68 Cb 0.52 -4.89 0.00 0.00 -1.84 0.00 0.00 35.03 28.82 2ouj n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ouj n GLY 69 N -1.08 -0.67 3.65 0.72 0.00 -0.96 -0.74 105.19 106.10 2ouj n GLY 69 Ca -0.14 -1.06 -0.02 0.00 0.00 0.00 0.00 46.02 44.80 2ouj n GLY 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ouj s PHE 70 N -3.00 -0.13 -0.14 1.61 -0.12 -0.09 -4.39 117.98 111.73 2ouj s PHE 70 Ca 0.00 -0.05 0.02 0.00 -0.05 0.00 0.00 56.93 56.85 2ouj s PHE 70 Cb 0.00 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 42.97 2ouj s PHE 70 CO 0.00 -0.50 -0.20 -1.17 -0.05 0.00 0.00 175.22 173.30 2ouj s LEU 71 N -2.79 2.26 -0.11 -1.99 2.96 -1.10 -1.28 118.68 116.62 2ouj s LEU 71 Ca 0.12 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2ouj s LEU 71 Cb 0.01 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 2ouj s LEU 71 CO -0.02 0.10 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.72 2ouj s LEU 72 N 0.69 2.52 0.10 -0.68 2.96 0.43 -0.70 118.68 124.00 2ouj s LEU 72 Ca -0.09 -0.39 0.10 0.00 -0.22 0.00 0.00 54.13 53.53 2ouj s LEU 72 Cb -0.16 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 2ouj s LEU 72 CO 0.01 0.18 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.21 2ouj s LEU 73 N 0.23 2.34 -0.27 -0.68 1.02 -0.33 -0.63 118.68 120.35 2ouj s LEU 73 Ca -0.11 -0.66 -0.25 0.00 0.02 0.00 0.00 54.13 53.13 2ouj s LEU 73 Cb -0.16 -1.30 0.09 0.00 0.02 0.00 0.00 46.19 44.84 2ouj s LEU 73 CO 0.06 0.21 0.84 0.00 0.02 0.00 0.00 176.35 177.47 2ouj s ALA 74 N -0.98 -1.85 -0.14 4.21 0.00 -0.57 -1.48 121.76 120.95 2ouj s ALA 74 Ca 0.14 1.97 -0.03 0.00 0.00 0.00 0.00 51.96 54.04 2ouj s ALA 74 Cb -0.10 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 2ouj s ALA 74 CO 0.05 -0.30 -0.04 -1.12 0.00 0.00 0.00 175.76 174.35 2ouj s SER 75 N 0.31 4.76 0.01 0.00 0.01 -0.54 0.51 113.70 118.76 2ouj s SER 75 Ca 0.01 -0.12 -0.07 0.00 1.31 0.00 0.00 55.95 57.09 2ouj s SER 75 Cb -0.05 -1.70 -0.00 0.00 0.21 0.00 0.00 66.02 64.48 2ouj s SER 75 CO -0.02 0.20 0.13 -1.48 0.41 0.00 0.00 173.24 172.48 2ouj s LEU 76 N 0.18 1.62 -0.30 2.44 2.34 0.72 -1.04 118.68 124.65 2ouj s LEU 76 Ca -0.02 -0.30 -0.01 0.00 0.06 0.00 0.00 54.13 53.86 2ouj s LEU 76 Cb -0.14 0.65 0.10 0.00 -0.56 0.00 0.00 46.19 46.24 2ouj s LEU 76 CO 0.03 -0.41 0.10 -0.60 -1.06 0.00 0.00 176.35 174.41 2ouj s ARG 77 N -1.71 0.65 -0.05 1.48 3.52 0.68 -0.43 118.95 123.08 2ouj s ARG 77 Ca -0.12 -0.96 0.03 0.00 -0.13 0.00 0.00 55.73 54.55 2ouj s ARG 77 Cb -0.06 -1.90 -0.03 0.00 -1.56 0.00 0.00 34.95 31.41 2ouj s ARG 77 CO -0.00 -0.96 -0.13 -1.14 -0.81 0.00 0.00 175.30 172.26 2ouj s GLN 78 N 1.69 2.55 0.36 5.12 0.74 -1.26 0.17 119.66 129.03 2ouj s GLN 78 Ca 0.09 -0.67 -0.27 0.00 0.05 0.00 0.00 55.36 54.55 2ouj s GLN 78 Cb -0.17 -2.42 -0.12 0.00 1.10 0.00 0.00 33.01 31.41 2ouj s GLN 78 CO -0.25 0.63 1.31 -1.33 -0.55 0.00 0.00 175.29 175.09 2ouj n MET 79 N 2.30 2.16 -1.74 1.67 2.81 -0.64 -2.75 117.12 120.94 2ouj n MET 79 Ca -0.17 0.76 -0.38 0.00 -1.81 0.00 0.00 57.70 56.09 2ouj n MET 79 Cb 0.52 -2.38 0.05 0.00 -0.71 0.00 0.00 33.22 30.70 2ouj n MET 79 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2ouj n LYS 80 N 0.43 1.61 -4.05 0.03 5.02 -1.24 -3.49 118.16 116.47 2ouj n LYS 80 Ca 0.05 0.60 -0.29 0.00 -2.02 0.00 0.00 58.31 56.64 2ouj n LYS 80 Cb 0.37 -2.55 -0.03 0.00 -0.02 0.00 0.00 35.03 32.81 2ouj n LYS 80 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ouj n LYS 81 N -1.07 -3.18 -4.32 1.97 5.02 -1.26 -4.98 118.16 110.34 2ouj n LYS 81 Ca 0.11 0.38 -0.17 0.00 -2.02 0.00 0.00 58.31 56.61 2ouj n LYS 81 Cb 0.45 -4.65 -0.10 0.00 -0.02 0.00 0.00 35.03 30.70 2ouj n LYS 81 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2ouj s THR 82 N -3.79 1.41 -0.24 -0.18 -4.23 -1.23 -4.60 115.64 102.79 2ouj s THR 82 Ca 0.22 -2.12 -0.05 0.00 -1.18 0.00 0.00 61.69 58.56 2ouj s THR 82 Cb -0.12 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.62 2ouj s THR 82 CO 0.90 -0.56 0.01 -0.13 -0.54 0.00 0.00 174.62 174.30 2ouj s ARG 83 N -3.73 3.35 -0.11 3.99 0.52 -1.26 -0.02 118.95 121.69 2ouj s ARG 83 Ca 0.23 -0.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.78 2ouj s ARG 83 Cb 0.02 -3.15 0.02 0.00 0.52 0.00 0.00 34.95 32.35 2ouj s ARG 83 CO 0.06 -0.26 -0.13 0.20 0.02 0.00 0.00 175.30 175.19 2ouj s GLY 84 N 1.50 0.98 -0.13 -3.53 0.00 -0.49 -4.33 107.32 101.31 2ouj s GLY 84 Ca 0.05 -0.68 -0.29 0.00 0.00 0.00 0.00 44.72 43.80 2ouj s GLY 84 CO -0.01 0.37 1.33 -1.59 0.00 0.00 0.00 173.10 173.21 2ouj s THR 85 N 1.16 4.13 -0.07 0.90 2.01 0.30 -1.49 115.64 122.57 2ouj s THR 85 Ca -0.04 1.38 -0.26 0.00 0.31 0.00 0.00 61.69 63.08 2ouj s THR 85 Cb -0.14 -3.89 -0.24 0.00 0.01 0.00 0.00 72.50 68.24 2ouj s THR 85 CO -0.04 -0.11 0.99 -0.07 -0.69 0.00 0.00 174.62 174.71 2ouj h LEU 86 N 9.63 0.11 -7.15 4.42 3.38 -1.11 -3.13 115.31 121.47 2ouj h LEU 86 Ca -0.30 -0.79 -0.04 0.00 0.09 0.00 0.00 57.88 56.84 2ouj h LEU 86 Cb 1.12 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 2ouj h LEU 86 CO 0.96 0.89 0.09 -1.48 0.09 0.00 0.00 178.44 178.99 2ouj s LEU 87 N -8.55 -0.21 0.08 1.67 2.34 -1.22 -1.00 118.68 111.79 2ouj s LEU 87 Ca -0.17 0.04 -0.20 0.00 0.06 0.00 0.00 54.13 53.87 2ouj s LEU 87 Cb -0.00 2.28 0.04 0.00 -0.56 0.00 0.00 46.19 47.95 2ouj s LEU 87 CO 0.71 -0.84 0.47 0.00 -1.06 0.00 0.00 176.35 175.63 2ouj s ALA 88 N -3.14 -1.16 -0.39 1.48 0.00 -0.37 -1.49 121.76 116.69 2ouj s ALA 88 Ca -0.02 0.34 -0.06 0.00 0.00 0.00 0.00 51.96 52.23 2ouj s ALA 88 Cb -0.00 0.49 0.08 0.00 0.00 0.00 0.00 23.12 23.69 2ouj s ALA 88 CO -0.07 -0.55 0.19 -0.51 0.00 0.00 0.00 175.76 174.82 2ouj s LEU 89 N -2.26 4.95 -0.11 0.00 1.02 0.60 -0.55 118.68 122.33 2ouj s LEU 89 Ca -0.03 -1.63 -0.06 0.00 0.02 0.00 0.00 54.13 52.44 2ouj s LEU 89 Cb -0.00 -1.89 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 2ouj s LEU 89 CO -0.05 -0.49 0.10 -1.83 0.02 0.00 0.00 176.35 174.10 2ouj s GLU 90 N 1.30 3.32 0.26 1.70 -1.05 -0.57 -0.13 118.70 123.53 2ouj s GLU 90 Ca 0.03 -0.21 -0.30 0.00 -0.15 0.00 0.00 54.97 54.34 2ouj s GLU 90 Cb -0.22 -3.08 -0.10 0.00 -0.44 0.00 0.00 34.13 30.28 2ouj s GLU 90 CO -0.00 0.76 1.47 1.03 0.95 0.00 0.00 175.26 179.46 2ouj s ARG 91 N -0.98 4.24 0.56 -4.83 0.52 -0.11 -1.07 118.95 117.28 2ouj s ARG 91 Ca 0.14 2.36 0.24 0.00 -0.52 0.00 0.00 55.73 57.96 2ouj s ARG 91 Cb -0.12 -3.09 1.60 0.00 0.52 0.00 0.00 34.95 33.86 2ouj s ARG 91 CO 0.03 -0.47 2.21 0.87 0.02 0.00 0.00 175.30 177.97 2ouj h LYS 92 N 5.00 0.00 0.00 3.54 1.57 -1.32 0.16 116.57 125.53 2ouj h LYS 92 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2ouj h LYS 92 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2ouj h LYS 92 CO 0.78 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.26 2ouj n ASP 93 N -4.12 0.00 -0.48 0.86 5.68 -1.26 -4.92 116.55 112.31 2ouj n ASP 93 Ca -0.03 -0.05 -0.06 0.00 -0.50 0.00 0.00 54.79 54.15 2ouj n ASP 93 Cb 0.10 -0.31 -0.03 0.00 -1.14 0.00 0.00 41.12 39.74 2ouj n ASP 93 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2ouj n HIS 94 N -1.31 0.00 1.13 2.11 8.25 0.04 -4.92 115.22 120.52 2ouj n HIS 94 Ca 0.13 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.65 2ouj n HIS 94 Cb 0.25 -1.43 0.20 0.00 1.12 0.00 0.00 29.99 30.13 2ouj n HIS 94 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2ouj n SER 95 N 0.64 1.53 0.00 0.41 3.41 -1.26 -5.01 113.62 113.34 2ouj n SER 95 Ca -0.06 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 2ouj n SER 95 Cb 0.23 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2ouj n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ouj n GLY 96 N 1.00 0.76 3.53 5.00 0.00 -1.26 -5.03 105.19 109.17 2ouj n GLY 96 Ca 0.11 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 2ouj n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ouj s GLN 97 N -2.00 2.06 -0.01 1.61 -0.21 -1.26 -0.93 119.66 118.91 2ouj s GLN 97 Ca 0.00 -1.03 0.18 0.00 0.02 0.00 0.00 55.36 54.53 2ouj s GLN 97 Cb 0.00 -2.24 -0.23 0.00 1.00 0.00 0.00 33.01 31.54 2ouj s GLN 97 CO 0.00 0.52 0.62 1.33 -2.12 0.00 0.00 175.29 175.64 2ouj n VAL 98 N 1.00 0.00 -3.60 1.09 0.24 0.82 -4.65 118.33 113.24 2ouj n VAL 98 Ca -0.15 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 61.81 2ouj n VAL 98 Cb 0.52 0.64 -0.06 0.00 -1.47 0.00 0.00 33.84 33.47 2ouj n VAL 98 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2ouj s PHE 99 N -2.92 -0.56 -0.00 6.34 5.36 -1.22 -1.03 117.98 123.95 2ouj s PHE 99 Ca 0.01 1.20 -0.28 0.00 -0.96 0.00 0.00 56.93 56.90 2ouj s PHE 99 Cb 0.13 0.37 0.07 0.00 -0.34 0.00 0.00 43.02 43.25 2ouj s PHE 99 CO 0.75 -0.37 0.64 -1.54 -1.46 0.00 0.00 175.22 173.24 2ouj s SER 100 N -0.36 -0.62 -0.17 6.13 1.04 -0.43 -0.30 113.70 119.00 2ouj s SER 100 Ca -0.02 0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.95 2ouj s SER 100 Cb -0.03 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.67 2ouj s SER 100 CO 0.01 -0.68 -0.11 -0.69 0.98 0.00 0.00 173.24 172.75 2ouj s VAL 101 N -1.75 1.50 -0.10 5.02 1.01 -0.55 -1.55 120.40 123.98 2ouj s VAL 101 Ca -0.08 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2ouj s VAL 101 Cb -0.00 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.87 2ouj s VAL 101 CO 0.05 0.29 -0.16 -0.69 0.00 0.00 0.00 175.10 174.59 2ouj s VAL 102 N 1.49 1.54 -0.55 2.92 1.01 0.10 -0.48 120.40 126.43 2ouj s VAL 102 Ca 0.02 -0.69 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 2ouj s VAL 102 Cb -0.14 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.88 2ouj s VAL 102 CO -0.09 0.45 1.03 -0.55 0.00 0.00 0.00 175.10 175.93 2ouj s SER 103 N 0.80 6.40 -0.72 3.32 0.15 -0.56 0.01 113.70 123.10 2ouj s SER 103 Ca -0.11 -0.12 -0.17 0.00 0.70 0.00 0.00 55.95 56.25 2ouj s SER 103 Cb -0.16 -2.48 0.14 0.00 -1.71 0.00 0.00 66.02 61.82 2ouj s SER 103 CO 0.01 -1.29 0.80 0.21 1.20 0.00 0.00 173.24 174.17 2ouj s ASN 104 N 2.79 6.44 0.31 5.45 3.84 0.73 -1.40 114.94 133.10 2ouj s ASN 104 Ca 0.36 -1.93 0.26 0.00 0.21 0.00 0.00 52.86 51.75 2ouj s ASN 104 Cb -0.10 -2.29 1.03 0.00 -0.55 0.00 0.00 41.25 39.33 2ouj s ASN 104 CO 0.22 -0.94 1.77 1.23 -2.79 0.00 0.00 177.10 176.59 2ouj h GLY 105 N 9.39 0.00 1.52 1.21 0.00 -0.69 0.48 103.07 114.99 2ouj h GLY 105 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.96 2ouj h GLY 105 CO 1.00 0.00 -1.21 0.50 0.00 0.00 0.00 176.54 176.84 2ouj h LYS 106 N 0.00 0.38 0.00 4.80 1.79 -1.81 -3.34 116.57 118.38 2ouj h LYS 106 Ca 0.00 -0.56 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 2ouj h LYS 106 Cb 0.44 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 2ouj h LYS 106 CO 0.00 1.24 -1.02 0.00 -1.08 0.00 0.00 179.45 178.59 2ouj n ALA 107 N -2.58 4.31 -2.76 3.86 0.00 -1.15 -4.99 120.51 117.22 2ouj n ALA 107 Ca -0.10 -0.54 -0.08 0.00 0.00 0.00 0.00 53.44 52.73 2ouj n ALA 107 Cb 0.99 -0.70 0.02 0.00 0.00 0.00 0.00 19.45 19.77 2ouj n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ouj n GLY 108 N 1.44 0.37 3.29 0.00 0.00 0.08 -4.95 105.19 105.42 2ouj n GLY 108 Ca 0.03 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 2ouj n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ouj s THR 109 N -2.98 0.16 -0.29 2.61 -4.23 -0.70 -1.67 115.64 108.54 2ouj s THR 109 Ca 0.17 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.71 2ouj s THR 109 Cb -0.08 -2.50 0.07 0.00 1.34 0.00 0.00 72.50 71.34 2ouj s THR 109 CO 0.21 0.00 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.02 2ouj s LEU 110 N -3.33 3.88 -0.08 4.79 2.96 -1.06 -0.19 118.68 125.65 2ouj s LEU 110 Ca 0.38 -1.60 -0.19 0.00 -0.22 0.00 0.00 54.13 52.49 2ouj s LEU 110 Cb 0.05 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 2ouj s LEU 110 CO 0.19 -0.26 0.54 -1.81 -1.32 0.00 0.00 176.35 173.69 2ouj s ASP 111 N 1.08 6.79 -0.25 3.68 1.01 0.10 -1.31 116.67 127.78 2ouj s ASP 111 Ca -0.03 0.95 -0.02 0.00 0.71 0.00 0.00 52.55 54.16 2ouj s ASP 111 Cb -0.20 -2.32 0.02 0.00 1.01 0.00 0.00 42.92 41.43 2ouj s ASP 111 CO -0.05 0.01 -0.06 -0.76 0.21 0.00 0.00 175.17 174.52 2ouj s LEU 112 N 0.45 3.16 -0.10 1.23 1.43 0.33 -0.72 118.68 124.47 2ouj s LEU 112 Ca 0.29 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2ouj s LEU 112 Cb -0.16 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 2ouj s LEU 112 CO 0.13 -0.12 -0.09 -0.44 0.23 0.00 0.00 176.35 176.06 2ouj s SER 113 N 1.34 4.40 -0.02 2.29 0.01 -0.60 -1.74 113.70 119.38 2ouj s SER 113 Ca 0.01 -0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.13 2ouj s SER 113 Cb -0.16 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.70 2ouj s SER 113 CO -0.04 0.26 -0.08 -0.76 0.41 0.00 0.00 173.24 173.03 2ouj s LEU 114 N -0.21 1.77 -0.17 2.44 1.02 -0.30 -1.32 118.68 121.91 2ouj s LEU 114 Ca 0.02 -0.17 0.01 0.00 0.02 0.00 0.00 54.13 54.01 2ouj s LEU 114 Cb -0.13 -0.50 0.03 0.00 0.02 0.00 0.00 46.19 45.61 2ouj s LEU 114 CO 0.03 0.05 -0.13 -0.89 0.02 0.00 0.00 176.35 175.43 2ouj s THR 115 N 0.22 1.62 -0.55 5.49 2.01 -0.20 0.39 115.64 124.63 2ouj s THR 115 Ca -0.03 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.16 2ouj s THR 115 Cb -0.08 -1.58 0.14 0.00 0.01 0.00 0.00 72.50 70.99 2ouj s THR 115 CO 0.00 0.35 0.34 -0.69 -0.69 0.00 0.00 174.62 173.93 2ouj s VAL 116 N 1.45 3.40 -0.47 3.82 1.01 0.73 -4.82 120.40 125.53 2ouj s VAL 116 Ca 0.03 -2.75 -0.26 0.00 0.00 0.00 0.00 61.98 58.99 2ouj s VAL 116 Cb -0.14 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 33.01 2ouj s VAL 116 CO -0.10 -0.81 0.64 1.67 0.00 0.00 0.00 175.10 176.50 2ouj n GLN 117 N 3.75 -2.11 0.00 2.72 0.00 -1.26 -2.96 117.38 117.52 2ouj n GLN 117 Ca 0.05 1.73 0.00 0.00 -0.00 0.00 0.00 57.00 58.77 2ouj n GLN 117 Cb 0.38 -3.85 0.00 0.00 0.00 0.00 0.00 30.24 26.77 2ouj n GLN 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ouj n GLY 118 N -0.35 1.82 3.60 1.69 0.00 -1.26 -4.95 105.19 105.74 2ouj n GLY 118 Ca 0.00 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2ouj n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ouj s LYS 119 N 0.00 3.46 -0.19 1.61 3.01 -1.16 -4.99 119.74 121.49 2ouj s LYS 119 Ca 0.00 1.37 -0.09 0.00 -1.01 0.00 0.00 55.97 56.25 2ouj s LYS 119 Cb 0.00 -4.14 -0.05 0.00 -1.01 0.00 0.00 37.83 32.64 2ouj s LYS 119 CO 0.00 -1.71 0.10 -1.14 0.51 0.00 0.00 175.35 173.12 2ouj s GLN 120 N 5.35 4.04 -0.06 1.68 0.74 -1.26 -0.19 119.66 129.96 2ouj s GLN 120 Ca 0.75 -0.26 0.05 0.00 0.05 0.00 0.00 55.36 55.95 2ouj s GLN 120 Cb -0.21 -3.32 -0.01 0.00 1.10 0.00 0.00 33.01 30.58 2ouj s GLN 120 CO 0.33 0.33 -0.22 -1.01 -0.55 0.00 0.00 175.29 174.17 2ouj s HIS 121 N 0.25 2.23 -0.07 1.67 3.76 0.16 -4.97 115.29 118.31 2ouj s HIS 121 Ca 0.07 -0.72 0.03 0.00 -0.15 0.00 0.00 55.06 54.28 2ouj s HIS 121 Cb -0.12 -1.48 0.01 0.00 1.11 0.00 0.00 32.58 32.10 2ouj s HIS 121 CO -0.01 -0.25 -0.17 0.08 -0.85 0.00 0.00 174.74 173.54 2ouj s VAL 122 N 0.04 1.50 0.03 -0.90 1.01 -1.26 -1.15 120.40 119.66 2ouj s VAL 122 Ca -0.07 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.25 2ouj s VAL 122 Cb -0.14 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 2ouj s VAL 122 CO 0.04 0.43 -0.15 0.68 0.00 0.00 0.00 175.10 176.11 2ouj s VAL 123 N 0.45 1.18 -0.11 2.92 -7.23 -0.71 -4.99 120.40 111.91 2ouj s VAL 123 Ca -0.14 -0.92 -0.02 0.00 -1.81 0.00 0.00 61.98 59.09 2ouj s VAL 123 Cb -0.16 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 2ouj s VAL 123 CO 0.05 0.11 -0.05 -0.44 -0.31 0.00 0.00 175.10 174.46 2ouj s SER 124 N -0.94 4.74 -0.46 4.85 0.01 -1.26 -0.51 113.70 120.13 2ouj s SER 124 Ca 0.03 -0.07 -0.18 0.00 1.31 0.00 0.00 55.95 57.04 2ouj s SER 124 Cb -0.07 -1.51 0.04 0.00 0.21 0.00 0.00 66.02 64.68 2ouj s SER 124 CO 0.01 0.26 0.52 -0.69 0.41 0.00 0.00 173.24 173.75 2ouj s VAL 125 N -0.21 5.00 0.95 3.43 1.01 -0.43 -4.89 120.40 125.26 2ouj s VAL 125 Ca 0.03 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 2ouj s VAL 125 Cb -0.13 -4.16 0.16 0.00 0.00 0.00 0.00 36.38 32.25 2ouj s VAL 125 CO 0.02 -0.59 1.10 -1.61 0.00 0.00 0.00 175.10 174.02 2ouj s GLU 126 N 2.33 0.86 -1.23 2.72 2.02 -1.26 -2.55 118.70 121.58 2ouj s GLU 126 Ca 0.13 0.56 -0.05 0.00 0.02 0.00 0.00 54.97 55.64 2ouj s GLU 126 Cb -0.18 -1.78 -0.01 0.00 0.10 0.00 0.00 34.13 32.25 2ouj s GLU 126 CO 0.13 -2.45 0.77 0.39 0.02 0.00 0.00 175.26 174.11 2ouj n GLU 127 N -3.99 -3.98 -3.30 1.61 1.02 -1.25 -4.89 120.64 105.87 2ouj n GLU 127 Ca 0.06 0.64 -0.25 0.00 -0.02 0.00 0.00 57.16 57.59 2ouj n GLU 127 Cb 0.57 -5.13 -0.08 0.00 -0.02 0.00 0.00 31.44 26.78 2ouj n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ouj n ALA 128 N -4.09 2.88 -2.69 0.62 0.00 -0.67 -4.95 120.51 111.60 2ouj n ALA 128 Ca -0.23 -3.69 -0.42 0.00 0.00 0.00 0.00 53.44 49.10 2ouj n ALA 128 Cb 0.65 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 2ouj n ALA 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ouj s LEU 129 N -1.28 3.90 0.00 0.00 2.01 -1.26 -3.35 118.68 118.70 2ouj s LEU 129 Ca 0.35 -1.22 0.18 0.00 0.01 0.00 0.00 54.13 53.45 2ouj s LEU 129 Cb 0.14 -2.50 -0.16 0.00 0.01 0.00 0.00 46.19 43.67 2ouj s LEU 129 CO -0.11 -1.49 0.80 0.18 1.01 0.00 0.00 176.35 176.74 2ouj n LEU 130 N 8.31 1.01 -2.39 1.79 4.32 -1.26 -4.55 117.00 124.23 2ouj n LEU 130 Ca 0.16 -0.55 -0.34 0.00 -0.02 0.00 0.00 56.01 55.27 2ouj n LEU 130 Cb 0.49 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.36 2ouj n LEU 130 CO 0.64 0.23 1.45 0.00 -1.22 0.00 0.00 177.39 178.50 2ouj n ALA 131 N -1.19 6.27 -2.21 -1.18 0.00 -1.26 -4.47 120.51 116.46 2ouj n ALA 131 Ca 0.04 -3.40 -0.39 0.00 0.00 0.00 0.00 53.44 49.69 2ouj n ALA 131 Cb 0.30 -1.79 0.01 0.00 0.00 0.00 0.00 19.45 17.97 2ouj n ALA 131 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2ouj n THR 132 N -0.70 5.08 0.00 0.00 -2.24 -1.26 -3.69 114.28 111.47 2ouj n THR 132 Ca 0.58 -4.93 0.00 0.00 -2.27 0.00 0.00 64.05 57.43 2ouj n THR 132 Cb 0.58 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 2ouj n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ouj n GLY 133 N 0.33 0.00 3.55 3.38 0.00 -1.11 -4.80 105.19 106.54 2ouj n GLY 133 Ca 0.52 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.28 2ouj n GLY 133 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ouj s GLN 134 N 0.00 1.83 0.14 1.61 -1.52 -1.26 -4.78 119.66 115.67 2ouj s GLN 134 Ca 0.00 -1.97 -0.31 0.00 -1.95 0.00 0.00 55.36 51.12 2ouj s GLN 134 Cb 0.00 -1.59 -0.10 0.00 -0.22 0.00 0.00 33.01 31.11 2ouj s GLN 134 CO 0.00 0.06 1.61 -1.58 -0.25 0.00 0.00 175.29 175.13 2ouj s TRP 135 N -2.71 2.82 0.12 0.91 0.52 -1.26 -4.44 118.94 114.90 2ouj s TRP 135 Ca 0.33 0.49 0.06 0.00 0.02 0.00 0.00 56.10 57.00 2ouj s TRP 135 Cb 0.05 -3.96 -0.04 0.00 -1.15 0.00 0.00 33.47 28.37 2ouj s TRP 135 CO 0.16 -3.67 -0.14 0.15 0.02 0.00 0.00 176.95 173.47 2ouj s LYS 136 N 1.66 1.02 -0.03 4.98 -0.14 0.43 -4.96 119.74 122.69 2ouj s LYS 136 Ca 0.72 -1.22 0.03 0.00 -1.36 0.00 0.00 55.97 54.14 2ouj s LYS 136 Cb -0.43 -0.92 -0.00 0.00 -1.68 0.00 0.00 37.83 34.80 2ouj s LYS 136 CO 0.32 0.18 -0.12 -1.54 -0.76 0.00 0.00 175.35 173.42 2ouj s SER 137 N -2.40 1.60 0.10 2.83 1.04 -1.26 -0.20 113.70 115.41 2ouj s SER 137 Ca 0.08 -0.25 0.08 0.00 0.48 0.00 0.00 55.95 56.34 2ouj s SER 137 Cb -0.05 -0.41 -0.04 0.00 0.10 0.00 0.00 66.02 65.62 2ouj s SER 137 CO 0.03 0.11 -0.21 0.27 0.98 0.00 0.00 173.24 174.42 2ouj s ILE 138 N 0.09 1.73 -0.24 -1.02 -4.36 0.18 0.29 121.20 117.86 2ouj s ILE 138 Ca -0.03 -1.55 -0.01 0.00 -0.26 0.00 0.00 60.65 58.80 2ouj s ILE 138 Cb -0.09 -1.57 0.07 0.00 1.25 0.00 0.00 42.46 42.12 2ouj s ILE 138 CO 0.01 -0.06 0.03 -0.89 0.24 0.00 0.00 174.94 174.27 2ouj s THR 139 N -1.17 0.94 -0.25 8.37 2.01 -0.44 -1.51 115.64 123.59 2ouj s THR 139 Ca 0.07 -1.01 -0.05 0.00 0.31 0.00 0.00 61.69 61.00 2ouj s THR 139 Cb -0.10 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 2ouj s THR 139 CO 0.04 -0.32 0.02 -0.22 -0.69 0.00 0.00 174.62 173.46 2ouj s LEU 140 N 1.64 3.33 -0.21 4.42 2.96 0.20 -0.92 118.68 130.10 2ouj s LEU 140 Ca 0.01 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.40 2ouj s LEU 140 Cb -0.18 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 2ouj s LEU 140 CO -0.12 -0.08 0.03 0.12 -1.32 0.00 0.00 176.35 174.98 2ouj s PHE 141 N 1.51 3.08 -0.06 5.38 5.36 0.11 -0.43 117.98 132.93 2ouj s PHE 141 Ca 0.05 -0.36 0.03 0.00 -0.96 0.00 0.00 56.93 55.69 2ouj s PHE 141 Cb -0.15 -2.12 0.00 0.00 -0.34 0.00 0.00 43.02 40.41 2ouj s PHE 141 CO 0.00 -0.20 -0.16 0.08 -1.46 0.00 0.00 175.22 173.48 2ouj s VAL 142 N 1.04 1.41 -0.16 3.12 1.01 -0.40 -0.19 120.40 126.23 2ouj s VAL 142 Ca 0.03 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 2ouj s VAL 142 Cb -0.14 -1.24 0.06 0.00 0.00 0.00 0.00 36.38 35.06 2ouj s VAL 142 CO 0.02 0.41 0.37 -1.58 0.00 0.00 0.00 175.10 174.32 2ouj s GLN 143 N 0.35 0.32 6.12 2.72 0.74 -0.55 -0.91 119.66 128.45 2ouj s GLN 143 Ca -0.11 0.78 0.00 0.00 0.05 0.00 0.00 55.36 56.08 2ouj s GLN 143 Cb -0.14 0.01 0.00 0.00 1.10 0.00 0.00 33.01 33.98 2ouj s GLN 143 CO 0.04 -0.19 0.00 0.39 -0.55 0.00 0.00 175.29 174.98 2ouj n GLU 144 N 4.54 0.00 -1.03 1.67 -0.58 0.08 -0.65 120.64 124.68 2ouj n GLU 144 Ca -0.20 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.43 2ouj n GLU 144 Cb 0.53 0.00 0.24 0.00 -0.57 0.00 0.00 31.44 31.64 2ouj n GLU 144 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2ouj n ASP 145 N 5.15 3.94 -4.36 1.62 5.75 -1.26 -0.78 116.55 126.61 2ouj n ASP 145 Ca 0.00 -3.46 -0.33 0.00 -0.01 0.00 0.00 54.79 51.00 2ouj n ASP 145 Cb 0.00 -0.75 -0.15 0.00 -1.03 0.00 0.00 41.12 39.19 2ouj n ASP 145 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2ouj s ARG 146 N -3.15 3.11 -0.09 0.11 0.52 0.18 -0.07 118.95 119.56 2ouj s ARG 146 Ca 0.53 -0.74 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 2ouj s ARG 146 Cb 0.44 -2.49 -0.00 0.00 0.52 0.00 0.00 34.95 33.42 2ouj s ARG 146 CO 0.10 0.29 -0.23 0.00 0.02 0.00 0.00 175.30 175.48 2ouj s ALA 147 N 0.12 2.07 -0.08 2.13 0.00 -0.29 -1.48 121.76 124.23 2ouj s ALA 147 Ca -0.08 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2ouj s ALA 147 Cb -0.15 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.23 2ouj s ALA 147 CO 0.05 0.30 -0.12 -0.65 0.00 0.00 0.00 175.76 175.34 2ouj s GLN 148 N 0.27 1.78 -0.04 0.00 -0.21 0.73 -1.43 119.66 120.75 2ouj s GLN 148 Ca -0.15 -0.42 0.06 0.00 0.02 0.00 0.00 55.36 54.87 2ouj s GLN 148 Cb -0.17 -1.52 -0.01 0.00 1.00 0.00 0.00 33.01 32.31 2ouj s GLN 148 CO 0.07 -0.02 -0.23 -1.17 -2.12 0.00 0.00 175.29 171.81 2ouj s LEU 149 N 0.85 2.04 -0.14 2.90 2.96 0.60 0.06 118.68 127.95 2ouj s LEU 149 Ca -0.11 -0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 53.35 2ouj s LEU 149 Cb -0.15 -1.25 0.03 0.00 0.50 0.00 0.00 46.19 45.32 2ouj s LEU 149 CO 0.01 0.26 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.92 2ouj s TYR 150 N -0.33 1.68 -0.22 5.38 1.51 -0.10 -0.61 117.35 124.65 2ouj s TYR 150 Ca 0.03 -0.96 -0.13 0.00 -1.01 0.00 0.00 57.07 55.00 2ouj s TYR 150 Cb -0.11 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.37 2ouj s TYR 150 CO 0.01 -0.58 0.28 0.42 -1.11 0.00 0.00 175.55 174.57 2ouj s ILE 151 N 1.64 5.28 0.00 2.71 1.01 -1.26 -1.33 121.20 129.25 2ouj s ILE 151 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.12 2ouj s ILE 151 Cb -0.14 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.72 2ouj s ILE 151 CO -0.08 0.29 0.00 0.47 0.00 0.00 0.00 174.94 175.62 2ouj n ASP 152 N 4.43 0.00 -3.67 3.58 8.00 0.14 -1.52 116.55 127.52 2ouj n ASP 152 Ca -0.12 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.11 2ouj n ASP 152 Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.51 2ouj n ASP 152 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ouj s GLU 154 N -1.82 1.39 0.31 0.00 2.02 -0.58 -5.11 118.70 114.91 2ouj s GLU 154 Ca 0.32 -1.75 -0.28 0.00 0.02 0.00 0.00 54.97 53.27 2ouj s GLU 154 Cb 0.04 -0.17 -0.13 0.00 0.10 0.00 0.00 34.13 33.97 2ouj s GLU 154 CO -0.11 -0.32 1.18 1.17 0.02 0.00 0.00 175.26 177.21 2ouj n LYS 155 N -0.44 1.77 -2.71 1.61 4.81 -1.26 -4.56 118.16 117.38 2ouj n LYS 155 Ca 0.00 0.62 -0.36 0.00 -0.87 0.00 0.00 58.31 57.71 2ouj n LYS 155 Cb 0.66 -2.12 -0.06 0.00 0.02 0.00 0.00 35.03 33.53 2ouj n LYS 155 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ouj s MET 156 N -1.58 4.36 0.09 1.64 0.23 -1.26 -4.62 119.30 118.17 2ouj s MET 156 Ca 0.58 1.35 0.07 0.00 -1.03 0.00 0.00 55.69 56.66 2ouj s MET 156 Cb -0.64 -2.58 -0.04 0.00 -1.53 0.00 0.00 34.83 30.04 2ouj s MET 156 CO 0.60 0.07 -0.11 -1.21 -2.03 0.00 0.00 175.02 172.34 2ouj s GLU 157 N -2.44 2.16 0.14 3.16 0.41 0.22 -4.94 118.70 117.40 2ouj s GLU 157 Ca 0.55 -0.99 0.05 0.00 -0.41 0.00 0.00 54.97 54.17 2ouj s GLU 157 Cb -0.18 -2.31 -0.04 0.00 -1.78 0.00 0.00 34.13 29.82 2ouj s GLU 157 CO 0.23 0.52 -0.12 -0.80 -0.49 0.00 0.00 175.26 174.59 2ouj s ASN 158 N -2.06 1.94 0.05 -0.19 0.01 -1.26 -0.29 114.94 113.15 2ouj s ASN 158 Ca 0.20 -0.91 -0.22 0.00 -0.71 0.00 0.00 52.86 51.23 2ouj s ASN 158 Cb -0.11 -0.05 0.05 0.00 0.41 0.00 0.00 41.25 41.55 2ouj s ASN 158 CO 0.12 -0.23 0.50 0.00 -1.51 0.00 0.00 177.10 175.99 2ouj s ALA 159 N -2.71 -1.28 -0.05 0.60 0.00 -0.52 -4.73 121.76 113.07 2ouj s ALA 159 Ca 0.13 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.64 2ouj s ALA 159 Cb -0.01 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 2ouj s ALA 159 CO 0.02 -0.51 -0.09 -1.21 0.00 0.00 0.00 175.76 173.98 2ouj s GLU 160 N -2.53 2.66 -0.00 0.00 2.02 -1.26 -1.14 118.70 118.45 2ouj s GLU 160 Ca -0.05 -0.61 -0.13 0.00 0.02 0.00 0.00 54.97 54.21 2ouj s GLU 160 Cb -0.01 -2.52 -0.05 0.00 0.10 0.00 0.00 34.13 31.64 2ouj s GLU 160 CO -0.02 0.65 0.37 -0.51 0.02 0.00 0.00 175.26 175.77 2ouj s LEU 161 N -0.87 4.45 0.00 1.80 1.43 0.91 -4.89 118.68 121.51 2ouj s LEU 161 Ca 0.13 0.88 0.20 0.00 -1.03 0.00 0.00 54.13 54.31 2ouj s LEU 161 Cb -0.11 -2.59 1.11 0.00 0.03 0.00 0.00 46.19 44.64 2ouj s LEU 161 CO 0.02 0.31 1.63 -0.67 0.23 0.00 0.00 176.35 177.87 2ouj n ASP 162 N 1.69 0.00 -3.66 2.29 -0.08 -1.26 -4.73 116.55 110.80 2ouj n ASP 162 Ca -0.14 -0.28 -0.15 0.00 -1.51 0.00 0.00 54.79 52.71 2ouj n ASP 162 Cb 0.53 -0.16 -0.07 0.00 2.34 0.00 0.00 41.12 43.75 2ouj n ASP 162 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2ouj s VAL 163 N -2.32 0.04 0.35 5.18 0.11 -1.26 -5.14 120.40 117.35 2ouj s VAL 163 Ca 0.24 -0.31 -0.28 0.00 -2.93 0.00 0.00 61.98 58.70 2ouj s VAL 163 Cb 0.14 -0.80 -0.10 0.00 -1.53 0.00 0.00 36.38 34.08 2ouj s VAL 163 CO 0.28 -0.17 1.35 -2.84 -3.33 0.00 0.00 175.10 170.39 2ouj s PRO 164 N -1.51 4.27 0.37 1.54 0.02 -1.26 -4.52 135.00 133.91 2ouj s PRO 164 Ca -0.11 2.30 0.06 0.00 0.02 0.00 0.00 61.00 63.27 2ouj s PRO 164 Cb -0.03 -3.03 0.74 0.00 0.02 0.00 0.00 34.50 32.21 2ouj s PRO 164 CO 0.05 -0.29 1.98 0.97 -0.33 0.00 0.00 177.00 179.38 2ouj h ILE 165 N 2.99 1.05 0.00 2.83 6.09 -1.28 -1.33 117.51 127.86 2ouj h ILE 165 Ca -0.49 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 62.74 2ouj h ILE 165 Cb 1.23 0.24 0.00 0.00 0.47 0.00 0.00 36.82 38.76 2ouj h ILE 165 CO 0.65 0.14 0.00 0.06 -3.07 0.00 0.00 178.15 175.92 2ouj h GLN 166 N 0.74 0.00 0.00 2.19 -0.00 -1.84 -1.96 115.11 114.24 2ouj h GLN 166 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.93 2ouj h GLN 166 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.66 2ouj h GLN 166 CO -0.09 0.00 0.00 -1.13 -0.00 0.00 0.00 178.83 177.61 2ouj n SER 167 N -2.91 0.71 -0.00 0.06 3.41 -0.50 -1.65 113.62 112.73 2ouj n SER 167 Ca -0.00 0.68 -0.16 0.00 -0.26 0.00 0.00 58.87 59.13 2ouj n SER 167 Cb 0.22 -0.83 -0.14 0.00 -0.26 0.00 0.00 64.21 63.20 2ouj n SER 167 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2ouj n VAL 168 N -2.29 1.72 -2.30 -3.33 0.31 -0.74 -4.50 118.33 107.20 2ouj n VAL 168 Ca 0.02 -0.72 -0.42 0.00 -0.01 0.00 0.00 64.34 63.21 2ouj n VAL 168 Cb 0.22 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 2ouj n VAL 168 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2ouj n PHE 169 N -3.31 3.06 -1.33 3.52 3.01 -0.66 -4.94 117.46 116.82 2ouj n PHE 169 Ca -0.25 -2.82 -0.30 0.00 1.01 0.00 0.00 57.45 55.08 2ouj n PHE 169 Cb 1.05 -2.01 0.11 0.00 -0.01 0.00 0.00 39.48 38.62 2ouj n PHE 169 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2ouj s THR 170 N 0.69 2.99 0.30 4.37 -4.23 -1.25 -4.80 115.64 113.71 2ouj s THR 170 Ca 0.40 0.32 0.05 0.00 -1.18 0.00 0.00 61.69 61.28 2ouj s THR 170 Cb 0.10 -2.89 0.30 0.00 1.34 0.00 0.00 72.50 71.34 2ouj s THR 170 CO -0.00 -0.42 1.80 0.03 -0.54 0.00 0.00 174.62 175.49 2ouj h ARG 171 N -1.29 0.82 -0.65 3.99 3.08 -1.94 -2.33 114.38 116.07 2ouj h ARG 171 Ca -0.47 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2ouj h ARG 171 Cb 1.26 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2ouj h ARG 171 CO 0.55 0.54 0.00 -0.40 -1.07 0.00 0.00 179.97 179.59 2ouj n ASP 172 N -4.70 4.82 -0.23 7.04 5.68 -1.26 -4.70 116.55 123.20 2ouj n ASP 172 Ca 0.22 -2.47 0.01 0.00 -0.50 0.00 0.00 54.79 52.04 2ouj n ASP 172 Cb 0.49 -0.58 0.13 0.00 -1.14 0.00 0.00 41.12 40.02 2ouj n ASP 172 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2ouj h LEU 173 N 4.09 0.38 -2.07 -2.12 5.85 -1.78 -2.04 115.31 117.62 2ouj h LEU 173 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2ouj h LEU 173 Cb 1.48 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.52 2ouj h LEU 173 CO 0.24 0.22 0.01 0.00 -0.34 0.00 0.00 178.44 178.58 2ouj h ALA 174 N 1.43 1.01 -0.00 1.25 0.00 -1.84 0.99 119.26 122.09 2ouj h ALA 174 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2ouj h ALA 174 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2ouj h ALA 174 CO -0.28 -0.01 -0.55 -1.13 0.00 0.00 0.00 179.25 177.28 2ouj n SER 175 N -2.60 0.79 0.00 0.00 3.41 -0.77 -4.26 113.62 110.19 2ouj n SER 175 Ca -0.02 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 2ouj n SER 175 Cb 0.06 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2ouj n SER 175 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2ouj n ILE 176 N -1.25 0.00 -3.87 -1.33 -5.35 -0.37 -4.97 119.36 102.22 2ouj n ILE 176 Ca 0.07 -0.32 -0.09 0.00 -0.27 0.00 0.00 62.75 62.13 2ouj n ILE 176 Cb 0.34 1.09 -0.07 0.00 -1.74 0.00 0.00 39.64 39.27 2ouj n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ouj s ALA 177 N -0.48 -0.22 0.02 -1.28 0.00 0.20 -0.83 121.76 119.18 2ouj s ALA 177 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.30 2ouj s ALA 177 Cb 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 2ouj s ALA 177 CO 0.00 -0.58 -0.04 -0.98 0.00 0.00 0.00 175.76 174.16 2ouj s ARG 178 N -3.90 0.30 -0.17 0.00 1.70 -0.23 -4.36 118.95 112.29 2ouj s ARG 178 Ca 0.10 -0.44 -0.27 0.00 -0.47 0.00 0.00 55.73 54.65 2ouj s ARG 178 Cb 0.04 -0.08 -0.01 0.00 -0.57 0.00 0.00 34.95 34.33 2ouj s ARG 178 CO -0.07 0.01 0.90 -1.17 -1.08 0.00 0.00 175.30 173.90 2ouj s LEU 179 N -0.96 4.18 0.15 -1.89 2.96 -1.26 -1.51 118.68 120.35 2ouj s LEU 179 Ca -0.08 1.28 0.11 0.00 -0.22 0.00 0.00 54.13 55.22 2ouj s LEU 179 Cb -0.07 -3.35 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 2ouj s LEU 179 CO -0.00 -0.46 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.19 2ouj s ARG 180 N 2.31 1.46 -0.04 1.98 1.81 0.29 -1.55 118.95 125.21 2ouj s ARG 180 Ca 0.41 -1.41 0.07 0.00 -1.72 0.00 0.00 55.73 53.08 2ouj s ARG 180 Cb -0.17 -1.89 -0.01 0.00 -0.45 0.00 0.00 34.95 32.43 2ouj s ARG 180 CO 0.12 0.43 -0.25 -1.50 -0.68 0.00 0.00 175.30 173.42 2ouj s ILE 181 N -1.30 2.04 0.00 1.52 2.07 -1.26 -1.23 121.20 123.03 2ouj s ILE 181 Ca 0.17 -1.07 0.00 0.00 -1.41 0.00 0.00 60.65 58.34 2ouj s ILE 181 Cb -0.09 -1.71 0.00 0.00 0.13 0.00 0.00 42.46 40.79 2ouj s ILE 181 CO 0.08 0.57 0.00 0.00 -1.91 0.00 0.00 174.94 173.68 2ouj n ALA 182 N 2.78 0.00 -3.51 1.50 0.00 -0.17 -4.92 120.51 116.19 2ouj n ALA 182 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.92 2ouj n ALA 182 Cb 0.52 -0.80 -0.14 0.00 0.00 0.00 0.00 19.45 19.03 2ouj n ALA 182 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ouj s LYS 183 N -1.01 3.34 0.00 0.00 2.20 -1.25 -0.97 119.74 122.04 2ouj s LYS 183 Ca 0.00 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 54.96 2ouj s LYS 183 Cb 0.00 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 2ouj s LYS 183 CO 0.00 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 2ouj n GLY 184 N 4.79 2.52 0.00 5.54 0.00 -1.25 -4.59 105.19 112.20 2ouj n GLY 184 Ca -0.18 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.72 2ouj n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ouj n GLY 185 N 5.00 0.36 3.47 -0.02 0.00 -1.26 -4.69 105.19 108.04 2ouj n GLY 185 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2ouj n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ouj s VAL 186 N 0.00 4.56 -1.42 1.61 0.11 -1.26 -4.37 120.40 119.63 2ouj s VAL 186 Ca 0.00 -1.34 -0.05 0.00 -2.93 0.00 0.00 61.98 57.66 2ouj s VAL 186 Cb 0.00 -4.82 0.03 0.00 -1.53 0.00 0.00 36.38 30.06 2ouj s VAL 186 CO 0.00 -1.58 0.68 0.59 -3.33 0.00 0.00 175.10 171.46 2ouj n ASN 187 N 7.03 -1.85 -0.46 3.54 4.13 -1.26 -4.91 115.26 121.48 2ouj n ASN 187 Ca 0.23 -0.88 0.06 0.00 1.68 0.00 0.00 54.58 55.67 2ouj n ASN 187 Cb 0.49 -3.61 0.15 0.00 -1.54 0.00 0.00 39.78 35.27 2ouj n ASN 187 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2ouj n ASP 188 N -2.95 2.89 -4.73 6.41 8.00 -1.26 -4.81 116.55 120.10 2ouj n ASP 188 Ca -0.20 -2.52 -0.39 0.00 0.71 0.00 0.00 54.79 52.39 2ouj n ASP 188 Cb 0.63 -0.32 0.04 0.00 -0.02 0.00 0.00 41.12 41.45 2ouj n ASP 188 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2ouj n ASN 189 N -0.41 2.61 -4.71 -2.24 4.13 -1.26 0.11 115.26 113.49 2ouj n ASN 189 Ca 0.13 1.00 -0.42 0.00 1.68 0.00 0.00 54.58 56.97 2ouj n ASN 189 Cb 0.57 -1.55 -0.03 0.00 -1.54 0.00 0.00 39.78 37.23 2ouj n ASN 189 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2ouj s PHE 190 N -1.28 3.35 -0.36 3.10 5.36 -0.15 -4.40 117.98 123.62 2ouj s PHE 190 Ca 0.69 1.15 -0.07 0.00 -0.96 0.00 0.00 56.93 57.74 2ouj s PHE 190 Cb -0.44 -3.53 0.05 0.00 -0.34 0.00 0.00 43.02 38.76 2ouj s PHE 190 CO 0.51 -1.75 0.14 -0.65 -1.46 0.00 0.00 175.22 172.01 2ouj s GLN 191 N 1.06 2.61 0.00 10.12 -0.21 -1.26 -4.76 119.66 127.21 2ouj s GLN 191 Ca 0.61 -1.23 0.00 0.00 0.02 0.00 0.00 55.36 54.76 2ouj s GLN 191 Cb -0.33 -3.53 0.00 0.00 1.00 0.00 0.00 33.01 30.15 2ouj s GLN 191 CO 0.30 -0.72 0.00 0.41 -2.12 0.00 0.00 175.29 173.15 2ouj n GLY 192 N 4.83 0.48 3.28 3.09 0.00 -1.26 -1.61 105.19 114.00 2ouj n GLY 192 Ca -0.12 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 2ouj n GLY 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ouj s VAL 193 N -4.00 2.00 0.02 1.61 1.01 0.13 -1.01 120.40 120.16 2ouj s VAL 193 Ca 0.00 -1.07 0.07 0.00 0.00 0.00 0.00 61.98 60.98 2ouj s VAL 193 Cb 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 2ouj s VAL 193 CO 0.00 0.56 -0.20 -0.76 0.00 0.00 0.00 175.10 174.71 2ouj s LEU 194 N -0.41 2.12 -0.05 3.92 1.43 -0.24 -0.23 118.68 125.22 2ouj s LEU 194 Ca 0.04 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 2ouj s LEU 194 Cb -0.11 -0.95 0.02 0.00 0.03 0.00 0.00 46.19 45.17 2ouj s LEU 194 CO 0.01 0.18 0.26 -1.58 0.23 0.00 0.00 176.35 175.45 2ouj s GLN 195 N -0.93 0.50 -1.35 1.70 0.74 -0.20 -1.19 119.66 118.92 2ouj s GLN 195 Ca 0.07 -0.01 -0.13 0.00 0.05 0.00 0.00 55.36 55.35 2ouj s GLN 195 Cb -0.08 0.22 0.01 0.00 1.10 0.00 0.00 33.01 34.26 2ouj s GLN 195 CO 0.01 -0.11 0.43 0.09 -0.55 0.00 0.00 175.29 175.16 2ouj n ASN 196 N 1.95 -1.77 -4.54 6.67 3.02 -1.26 -1.47 115.26 117.85 2ouj n ASN 196 Ca -0.18 -1.16 -0.42 0.00 -0.03 0.00 0.00 54.58 52.78 2ouj n ASN 196 Cb 0.57 -2.34 -0.03 0.00 -0.61 0.00 0.00 39.78 37.37 2ouj n ASN 196 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ouj s VAL 197 N -3.89 4.14 0.02 2.41 1.01 -1.26 -4.01 120.40 118.83 2ouj s VAL 197 Ca 0.21 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.71 2ouj s VAL 197 Cb -0.10 -4.68 -0.02 0.00 0.00 0.00 0.00 36.38 31.59 2ouj s VAL 197 CO 0.94 -1.34 -0.08 -0.13 0.00 0.00 0.00 175.10 174.49 2ouj s ARG 198 N 4.61 0.57 -0.32 2.72 0.52 -0.55 -0.93 118.95 125.58 2ouj s ARG 198 Ca 0.35 -0.53 -0.13 0.00 -0.52 0.00 0.00 55.73 54.90 2ouj s ARG 198 Cb -0.10 -0.47 -0.03 0.00 0.52 0.00 0.00 34.95 34.87 2ouj s ARG 198 CO 0.20 0.11 0.26 -0.06 0.02 0.00 0.00 175.30 175.84 2ouj s PHE 199 N -0.78 3.22 -0.16 -0.53 0.40 0.19 -1.19 117.98 119.15 2ouj s PHE 199 Ca -0.03 -0.05 -0.04 0.00 -0.60 0.00 0.00 56.93 56.21 2ouj s PHE 199 Cb -0.06 -2.50 -0.03 0.00 0.51 0.00 0.00 43.02 40.93 2ouj s PHE 199 CO 0.00 -0.32 -0.01 0.08 0.70 0.00 0.00 175.22 175.68 2ouj s VAL 200 N 1.82 4.14 0.11 -0.44 1.01 0.13 -0.38 120.40 126.79 2ouj s VAL 200 Ca 0.08 -0.27 0.10 0.00 0.00 0.00 0.00 61.98 61.89 2ouj s VAL 200 Cb -0.17 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2ouj s VAL 200 CO 0.11 0.49 -0.26 -0.36 0.00 0.00 0.00 175.10 175.08 2ouj s PHE 201 N 0.28 2.26 0.00 5.22 0.40 0.50 -2.72 117.98 123.91 2ouj s PHE 201 Ca -0.01 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 2ouj s PHE 201 Cb -0.14 -1.25 0.00 0.00 0.51 0.00 0.00 43.02 42.15 2ouj s PHE 201 CO 0.02 0.28 0.00 0.41 0.70 0.00 0.00 175.22 176.63 2ouj n GLY 202 N 1.11 0.37 3.25 4.36 0.00 -1.26 -4.82 105.19 108.21 2ouj n GLY 202 Ca -0.18 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 2ouj n GLY 202 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ouj s THR 203 N -2.00 -0.02 0.43 2.61 2.01 -1.26 -5.16 115.64 112.24 2ouj s THR 203 Ca 0.00 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 2ouj s THR 203 Cb 0.00 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 2ouj s THR 203 CO 0.00 0.03 0.71 0.42 -0.69 0.00 0.00 174.62 175.09 2ouj s THR 204 N 1.02 4.96 0.36 -0.82 -4.23 -1.26 -4.80 115.64 110.86 2ouj s THR 204 Ca -0.07 0.06 0.10 0.00 -1.18 0.00 0.00 61.69 60.61 2ouj s THR 204 Cb -0.07 -3.84 0.33 0.00 1.34 0.00 0.00 72.50 70.26 2ouj s THR 204 CO -0.08 -0.71 1.85 1.55 -0.54 0.00 0.00 174.62 176.69 2ouj h PRO 205 N 0.57 0.64 -0.48 3.99 0.13 -1.99 -2.74 132.00 132.11 2ouj h PRO 205 Ca -0.48 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2ouj h PRO 205 Cb 1.21 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 2ouj h PRO 205 CO 0.62 0.42 0.30 0.93 -0.23 0.00 0.00 178.00 180.04 2ouj h GLU 206 N 0.65 0.59 -0.84 0.86 3.07 -1.99 -1.63 114.58 115.29 2ouj h GLU 206 Ca 0.47 -0.04 0.21 0.00 -0.50 0.00 0.00 59.36 59.51 2ouj h GLU 206 Cb 0.82 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 28.55 2ouj h GLU 206 CO -0.22 0.39 0.58 -0.44 -1.40 0.00 0.00 179.01 177.91 2ouj h ASP 207 N 0.61 0.20 0.09 1.42 3.45 -1.89 -0.52 116.42 119.77 2ouj h ASP 207 Ca 0.18 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.66 2ouj h ASP 207 Cb -0.03 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.72 2ouj h ASP 207 CO -0.06 0.08 -0.04 0.40 -1.57 0.00 0.00 179.24 178.05 2ouj h ILE 208 N 0.20 0.34 -0.01 0.35 1.08 -1.39 -3.30 117.51 114.79 2ouj h ILE 208 Ca 0.42 -1.14 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 2ouj h ILE 208 Cb 1.33 0.63 -0.00 0.00 -3.07 0.00 0.00 36.82 35.71 2ouj h ILE 208 CO -0.09 0.11 0.03 -0.07 -0.69 0.00 0.00 178.15 177.44 2ouj h LEU 209 N -1.01 0.00 -1.15 1.44 3.38 -1.24 -0.80 115.31 115.94 2ouj h LEU 209 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ouj h LEU 209 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2ouj h LEU 209 CO 0.02 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.41 2ouj n ARG 210 N -3.25 0.14 -2.50 1.13 0.63 -0.22 -2.68 116.66 109.91 2ouj n ARG 210 Ca -0.03 0.57 -0.12 0.00 -0.92 0.00 0.00 57.85 57.35 2ouj n ARG 210 Cb 0.10 -1.90 0.03 0.00 0.45 0.00 0.00 32.46 31.14 2ouj n ARG 210 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2ouj n ASN 211 N -2.19 3.04 -4.00 6.15 0.23 -0.31 -4.70 115.26 113.49 2ouj n ASN 211 Ca -0.00 -2.89 -0.11 0.00 -0.53 0.00 0.00 54.58 51.04 2ouj n ASN 211 Cb 0.08 -0.44 -0.12 0.00 -2.08 0.00 0.00 39.78 37.23 2ouj n ASN 211 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2ouj s LYS 212 N -3.61 0.37 0.00 -3.83 1.02 -1.09 -4.98 119.74 107.61 2ouj s LYS 212 Ca 0.37 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.80 2ouj s LYS 212 Cb 0.38 -0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.60 2ouj s LYS 212 CO -0.02 0.00 0.08 0.41 -0.92 0.00 0.00 175.35 174.91 2ouj n GLY 213 N 1.81 0.15 0.00 -3.33 0.00 -1.26 -4.92 105.19 97.63 2ouj n GLY 213 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2ouj n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32