#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mcs n TYR 2 N 0.00 0.00 -3.78 1.61 4.01 -1.26 -5.03 117.16 112.71 3mcs n TYR 2 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 3mcs n TYR 2 Cb 0.00 -0.21 -0.04 0.00 -0.31 0.00 0.00 39.34 38.78 3mcs n TYR 2 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mcs s ALA 3 N 0.00 3.88 -0.23 -0.72 0.00 -1.26 -5.09 121.76 118.35 3mcs s ALA 3 Ca 0.00 -0.72 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 3mcs s ALA 3 Cb 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 3mcs s ALA 3 CO 0.00 0.69 0.36 0.08 0.00 0.00 0.00 175.76 176.88 3mcs s VAL 4 N -1.64 5.21 0.36 0.00 1.01 -1.26 -5.02 120.40 119.07 3mcs s VAL 4 Ca 0.38 0.59 -0.27 0.00 0.00 0.00 0.00 61.98 62.68 3mcs s VAL 4 Cb -0.12 -3.69 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 3mcs s VAL 4 CO 0.27 0.24 1.17 -2.16 0.00 0.00 0.00 175.10 174.61 3mcs s PRO 5 N 1.51 4.24 -0.25 2.72 0.04 -1.26 -4.22 135.00 137.79 3mcs s PRO 5 Ca 0.16 1.87 -0.10 0.00 0.04 0.00 0.00 61.00 62.97 3mcs s PRO 5 Cb -0.15 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.50 3mcs s PRO 5 CO 0.08 -0.17 0.16 0.42 0.04 0.00 0.00 177.00 177.53 3mcs s ILE 6 N -1.33 5.21 -0.20 0.56 -1.09 -0.39 -4.63 121.20 119.34 3mcs s ILE 6 Ca 0.53 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 59.08 3mcs s ILE 6 Cb -0.32 -3.45 0.05 0.00 -1.58 0.00 0.00 42.46 37.16 3mcs s ILE 6 CO 0.41 0.32 -0.06 -0.22 -1.23 0.00 0.00 174.94 174.16 3mcs s LEU 7 N 1.33 2.06 -0.03 2.97 2.96 -1.26 -0.31 118.68 126.40 3mcs s LEU 7 Ca 0.07 -0.90 0.06 0.00 -0.22 0.00 0.00 54.13 53.14 3mcs s LEU 7 Cb -0.15 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.48 3mcs s LEU 7 CO 0.07 -0.20 -0.23 0.20 -1.32 0.00 0.00 176.35 174.87 3mcs s ASN 8 N 1.51 2.72 -0.26 3.68 0.01 -0.57 -0.85 114.94 121.18 3mcs s ASN 8 Ca -0.02 -0.43 0.02 0.00 -0.71 0.00 0.00 52.86 51.71 3mcs s ASN 8 Cb -0.17 -0.51 0.05 0.00 0.41 0.00 0.00 41.25 41.04 3mcs s ASN 8 CO -0.07 0.25 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.97 3mcs s VAL 9 N -0.34 2.29 -0.14 1.60 1.01 -0.13 -1.10 120.40 123.60 3mcs s VAL 9 Ca 0.03 -1.51 -0.08 0.00 0.00 0.00 0.00 61.98 60.42 3mcs s VAL 9 Cb -0.11 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3mcs s VAL 9 CO 0.01 0.03 0.14 -0.31 0.00 0.00 0.00 175.10 174.97 3mcs s TYR 10 N 1.15 3.55 0.02 5.22 2.02 -0.25 -1.04 117.35 128.02 3mcs s TYR 10 Ca -0.07 0.48 0.00 0.00 -0.37 0.00 0.00 57.07 57.12 3mcs s TYR 10 Cb -0.19 -2.02 -0.02 0.00 -0.40 0.00 0.00 41.96 39.33 3mcs s TYR 10 CO -0.05 0.60 -0.03 0.16 -1.57 0.00 0.00 175.55 174.66 3mcs s ASP 11 N -0.61 0.30 0.11 2.29 1.47 -0.68 -1.28 116.67 118.26 3mcs s ASP 11 Ca 0.13 -0.53 -0.25 0.00 1.18 0.00 0.00 52.55 53.09 3mcs s ASP 11 Cb -0.12 0.10 0.08 0.00 -0.34 0.00 0.00 42.92 42.64 3mcs s ASP 11 CO 0.02 -0.31 0.66 0.72 0.68 0.00 0.00 175.17 176.95 3mcs s PHE 12 N -1.57 -0.52 0.02 2.11 -0.12 -0.65 -1.23 117.98 116.03 3mcs s PHE 12 Ca -0.14 0.40 -0.25 0.00 -0.05 0.00 0.00 56.93 56.88 3mcs s PHE 12 Cb -0.09 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.79 3mcs s PHE 12 CO -0.01 -0.77 0.78 -2.00 -0.05 0.00 0.00 175.22 173.17 3mcs s GLU 13 N -3.34 4.50 -0.03 1.99 2.12 -1.15 0.42 118.70 123.20 3mcs s GLU 13 Ca 0.00 1.07 -0.17 0.00 0.36 0.00 0.00 54.97 56.24 3mcs s GLU 13 Cb -0.01 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 3mcs s GLU 13 CO -0.10 0.21 0.45 0.08 -0.54 0.00 0.00 175.26 175.36 3mcs s VAL 14 N 0.21 5.05 0.56 3.70 1.01 0.34 -0.73 120.40 130.55 3mcs s VAL 14 Ca 0.40 0.92 -0.20 0.00 0.00 0.00 0.00 61.98 63.10 3mcs s VAL 14 Cb -0.20 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 3mcs s VAL 14 CO 0.23 0.48 1.12 0.29 0.00 0.00 0.00 175.10 177.22 3mcs n LYS 15 N 2.49 1.22 -0.13 2.72 5.02 -0.28 -4.66 118.16 124.54 3mcs n LYS 15 Ca -0.11 0.46 -0.08 0.00 -2.02 0.00 0.00 58.31 56.56 3mcs n LYS 15 Cb 0.52 -2.31 -0.06 0.00 -0.02 0.00 0.00 35.03 33.16 3mcs n LYS 15 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 3mcs h LYS 16 N 0.93 -0.19 -1.03 1.97 2.10 -1.96 -2.88 116.57 115.51 3mcs h LYS 16 Ca -0.49 0.01 -0.45 0.00 -2.00 0.00 0.00 60.65 57.73 3mcs h LYS 16 Cb 1.34 0.04 -0.25 0.00 -0.90 0.00 0.00 32.23 32.46 3mcs h LYS 16 CO 0.54 -0.13 0.57 -0.40 -2.00 0.00 0.00 179.45 178.03 3mcs n ASP 17 N -4.41 4.21 -0.43 7.07 5.75 -1.26 -4.32 116.55 123.15 3mcs n ASP 17 Ca -0.01 -3.36 0.06 0.00 -0.01 0.00 0.00 54.79 51.46 3mcs n ASP 17 Cb 0.21 -0.82 0.10 0.00 -1.03 0.00 0.00 41.12 39.58 3mcs n ASP 17 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3mcs n LYS 18 N -0.80 0.87 -0.30 0.11 4.76 -1.09 -4.80 118.16 116.91 3mcs n LYS 18 Ca 0.50 -2.24 -0.02 0.00 -2.87 0.00 0.00 58.31 53.67 3mcs n LYS 18 Cb 1.34 -1.10 0.14 0.00 -1.84 0.00 0.00 35.03 33.57 3mcs n LYS 18 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3mcs h GLU 19 N 0.29 1.18 -0.10 1.97 5.08 -1.75 -0.67 114.58 120.57 3mcs h GLU 19 Ca -0.02 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3mcs h GLU 19 Cb 1.20 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 3mcs h GLU 19 CO 0.01 0.84 -0.00 1.15 -1.00 0.00 0.00 179.01 180.01 3mcs h THR 20 N 1.20 0.93 -0.48 1.13 2.02 -1.96 -0.37 112.91 115.39 3mcs h THR 20 Ca 0.31 -0.01 -0.06 0.00 0.77 0.00 0.00 66.41 67.42 3mcs h THR 20 Cb -0.03 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3mcs h THR 20 CO -0.06 0.01 0.05 0.28 0.37 0.00 0.00 175.52 176.17 3mcs h SER 21 N 0.03 0.72 -0.53 4.18 0.02 -1.84 -2.24 113.55 113.91 3mcs h SER 21 Ca 0.05 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3mcs h SER 21 Cb 0.06 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3mcs h SER 21 CO -0.08 0.76 0.27 0.22 -1.14 0.00 0.00 176.83 176.86 3mcs h TYR 22 N 0.72 0.74 -0.39 3.45 3.20 -0.63 -1.72 116.97 122.35 3mcs h TYR 22 Ca 0.15 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 3mcs h TYR 22 Cb 0.37 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3mcs h TYR 22 CO 0.02 0.56 -0.21 0.87 -1.64 0.00 0.00 178.16 177.76 3mcs h LYS 23 N 0.70 0.82 -0.30 1.82 1.57 -0.80 -1.93 116.57 118.45 3mcs h LYS 23 Ca 0.18 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3mcs h LYS 23 Cb 0.08 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3mcs h LYS 23 CO -0.03 1.00 0.11 1.03 -0.57 0.00 0.00 179.45 180.99 3mcs h SER 24 N 0.62 0.43 -0.02 0.86 0.87 -1.38 -0.18 113.55 114.76 3mcs h SER 24 Ca 0.08 -0.19 -0.14 0.00 -1.23 0.00 0.00 61.79 60.31 3mcs h SER 24 Cb 0.76 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 3mcs h SER 24 CO 0.06 0.50 -0.46 0.00 -0.53 0.00 0.00 176.83 176.40 3mcs h ALA 25 N 0.94 0.79 -0.15 6.23 0.00 -1.33 -1.90 119.26 123.84 3mcs h ALA 25 Ca 0.10 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 3mcs h ALA 25 Cb 0.22 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3mcs h ALA 25 CO -0.01 0.66 -0.65 1.15 0.00 0.00 0.00 179.25 180.40 3mcs h THR 26 N 0.45 1.33 0.41 0.00 2.02 -1.25 -1.94 112.91 113.93 3mcs h THR 26 Ca 0.03 -1.94 -0.02 0.00 0.77 0.00 0.00 66.41 65.25 3mcs h THR 26 Cb 0.98 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3mcs h THR 26 CO 0.09 0.60 -0.20 -0.33 0.37 0.00 0.00 175.52 176.05 3mcs h GLU 27 N 0.42 -0.53 -0.57 6.66 5.08 -0.96 -2.20 114.58 122.47 3mcs h GLU 27 Ca -0.02 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 3mcs h GLU 27 Cb 1.23 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 30.51 3mcs h GLU 27 CO 0.12 -0.31 0.06 -0.44 -1.00 0.00 0.00 179.01 177.44 3mcs h ASP 28 N -0.62 -0.13 -0.32 1.42 5.19 -1.33 -0.24 116.42 120.39 3mcs h ASP 28 Ca -0.06 0.12 0.01 0.00 -0.62 0.00 0.00 57.03 56.49 3mcs h ASP 28 Cb 0.46 0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 3mcs h ASP 28 CO 0.09 -0.05 0.18 0.22 -3.12 0.00 0.00 179.24 176.57 3mcs h TYR 29 N 0.18 0.34 -0.50 4.55 3.20 -1.23 0.16 116.97 123.67 3mcs h TYR 29 Ca 0.30 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.06 3mcs h TYR 29 Cb 0.46 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3mcs h TYR 29 CO -0.30 0.20 -0.16 0.28 -1.64 0.00 0.00 178.16 176.54 3mcs h VAL 30 N 0.37 1.27 -0.02 1.81 2.07 -0.95 -1.07 116.25 119.72 3mcs h VAL 30 Ca 0.13 -1.32 -0.16 0.00 0.82 0.00 0.00 66.70 66.16 3mcs h VAL 30 Cb 0.01 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3mcs h VAL 30 CO -0.07 0.46 -0.73 0.78 0.02 0.00 0.00 177.57 178.04 3mcs h ASN 31 N 0.86 0.18 0.64 0.57 2.35 -0.78 -3.28 115.58 116.11 3mcs h ASN 31 Ca 0.12 -0.12 -0.27 0.00 -0.55 0.00 0.00 56.30 55.48 3mcs h ASN 31 Cb 0.74 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 3mcs h ASN 31 CO 0.06 0.84 -1.33 0.50 -1.65 0.00 0.00 177.43 175.84 3mcs h LYS 32 N 0.10 0.17 -0.01 0.81 1.63 -0.62 -2.89 116.57 115.75 3mcs h LYS 32 Ca -0.02 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 3mcs h LYS 32 Cb 1.28 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 3mcs h LYS 32 CO 0.11 1.06 0.00 2.41 -3.45 0.00 0.00 179.45 179.57 3mcs n THR 33 N -3.41 0.00 0.00 1.00 -1.04 -0.41 -2.83 114.28 107.59 3mcs n THR 33 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3mcs n THR 33 Cb 1.01 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 69.20 3mcs n THR 33 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mcs n GLY 35 N -0.14 0.00 0.00 3.41 0.00 -1.09 -0.94 105.19 106.43 3mcs n GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3mcs n GLY 35 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mcs n VAL 36 N 0.00 0.00 -3.46 1.61 0.31 -1.13 -5.09 118.33 110.57 3mcs n VAL 36 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 3mcs n VAL 36 Cb 0.00 -0.87 -0.04 0.00 -0.91 0.00 0.00 33.84 32.02 3mcs n VAL 36 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3mcs s GLU 37 N -1.89 3.70 0.21 5.55 2.02 -0.12 -5.09 118.70 123.08 3mcs s GLU 37 Ca 0.00 0.09 -0.10 0.00 0.02 0.00 0.00 54.97 54.97 3mcs s GLU 37 Cb 0.00 -2.70 -0.07 0.00 0.10 0.00 0.00 34.13 31.46 3mcs s GLU 37 CO 0.00 0.32 0.54 -0.65 0.02 0.00 0.00 175.26 175.49 3mcs s GLN 38 N -3.02 3.83 -0.16 1.61 -1.52 -1.26 -4.28 119.66 114.85 3mcs s GLN 38 Ca 0.45 0.30 0.00 0.00 -1.95 0.00 0.00 55.36 54.16 3mcs s GLN 38 Cb -0.11 -2.72 0.00 0.00 -0.22 0.00 0.00 33.01 29.96 3mcs s GLN 38 CO 0.25 0.36 0.00 0.41 -0.25 0.00 0.00 175.29 176.06 3mcs n GLY 39 N 0.08 0.45 3.59 3.09 0.00 -1.26 -4.86 105.19 106.28 3mcs n GLY 39 Ca -0.01 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 3mcs n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mcs s VAL 40 N -1.77 5.20 -0.20 1.61 0.11 -1.26 -0.81 120.40 123.28 3mcs s VAL 40 Ca 0.00 0.41 0.19 0.00 -2.93 0.00 0.00 61.98 59.65 3mcs s VAL 40 Cb 0.00 -3.68 -0.00 0.00 -1.53 0.00 0.00 36.38 31.16 3mcs s VAL 40 CO 0.00 0.14 1.10 -0.07 -3.33 0.00 0.00 175.10 172.93 3mcs h LEU 41 N 8.58 0.00 0.00 2.54 3.38 -1.29 -3.44 115.31 125.08 3mcs h LEU 41 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3mcs h LEU 41 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3mcs h LEU 41 CO 0.63 0.31 0.00 0.61 0.09 0.00 0.00 178.44 180.09 3mcs n GLY 42 N 1.26 2.92 3.08 0.83 0.00 -1.12 -2.16 105.19 110.00 3mcs n GLY 42 Ca -0.03 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 3mcs n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mcs s LEU 43 N 0.00 2.05 -0.25 0.99 1.02 -0.43 -1.64 118.68 120.41 3mcs s LEU 43 Ca 0.00 -0.25 -0.04 0.00 0.02 0.00 0.00 54.13 53.86 3mcs s LEU 43 Cb 0.00 -0.60 0.09 0.00 0.02 0.00 0.00 46.19 45.70 3mcs s LEU 43 CO 0.00 0.12 0.11 -0.36 0.02 0.00 0.00 176.35 176.25 3mcs s PHE 44 N -0.38 0.37 -0.18 0.29 0.40 0.16 -2.33 117.98 116.32 3mcs s PHE 44 Ca 0.04 -0.74 -0.13 0.00 -0.60 0.00 0.00 56.93 55.49 3mcs s PHE 44 Cb -0.05 -0.88 -0.05 0.00 0.51 0.00 0.00 43.02 42.56 3mcs s PHE 44 CO -0.00 -0.72 0.28 0.00 0.70 0.00 0.00 175.22 175.47 3mcs s ALA 45 N 2.08 3.60 0.34 5.36 0.00 -0.09 -0.91 121.76 132.14 3mcs s ALA 45 Ca 0.06 -0.53 0.06 0.00 0.00 0.00 0.00 51.96 51.55 3mcs s ALA 45 Cb -0.16 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 3mcs s ALA 45 CO -0.27 0.00 0.23 0.00 0.00 0.00 0.00 175.76 175.73 3mcs s ALA 46 N 0.66 2.11 -0.05 0.00 0.00 -0.38 -0.96 121.76 123.15 3mcs s ALA 46 Ca 0.15 -1.82 -0.07 0.00 0.00 0.00 0.00 51.96 50.22 3mcs s ALA 46 Cb -0.13 1.28 0.01 0.00 0.00 0.00 0.00 23.12 24.29 3mcs s ALA 46 CO 0.04 -0.57 0.18 0.99 0.00 0.00 0.00 175.76 176.39 3mcs s THR 47 N -3.42 0.02 -0.28 0.00 2.01 0.38 -2.15 115.64 112.19 3mcs s THR 47 Ca 0.36 -0.19 -0.03 0.00 0.31 0.00 0.00 61.69 62.13 3mcs s THR 47 Cb 0.03 -0.32 0.03 0.00 0.01 0.00 0.00 72.50 72.25 3mcs s THR 47 CO 0.23 -0.11 0.01 -0.62 -0.69 0.00 0.00 174.62 173.44 3mcs s ASP 48 N -0.32 4.77 0.00 3.53 2.15 -0.28 -0.65 116.67 125.86 3mcs s ASP 48 Ca -0.04 -0.97 0.24 0.00 0.43 0.00 0.00 52.55 52.21 3mcs s ASP 48 Cb -0.03 -1.75 0.38 0.00 -0.30 0.00 0.00 42.92 41.22 3mcs s ASP 48 CO 0.01 -0.20 1.37 -0.62 -0.17 0.00 0.00 175.17 175.55 3mcs n GLU 49 N 4.72 2.26 -2.13 4.34 1.02 -1.26 -0.06 120.64 129.52 3mcs n GLU 49 Ca -0.15 -1.84 -0.41 0.00 -0.02 0.00 0.00 57.16 54.74 3mcs n GLU 49 Cb 0.46 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 3mcs n GLU 49 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3mcs s ARG 50 N -1.89 4.37 0.00 3.49 0.52 -1.26 -4.30 118.95 119.88 3mcs s ARG 50 Ca 0.32 2.19 0.00 0.00 -0.52 0.00 0.00 55.73 57.72 3mcs s ARG 50 Cb 0.21 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.59 3mcs s ARG 50 CO 0.31 -0.18 0.00 -0.40 0.02 0.00 0.00 175.30 175.04 3mcs n ASP 51 N 1.02 0.00 -3.78 0.23 3.85 -1.26 -4.40 116.55 112.21 3mcs n ASP 51 Ca 0.01 0.00 -0.13 0.00 -0.71 0.00 0.00 54.79 53.95 3mcs n ASP 51 Cb 0.42 0.00 -0.14 0.00 -1.35 0.00 0.00 41.12 40.05 3mcs n ASP 51 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3mcs s LYS 52 N 0.00 0.07 0.01 0.11 -2.85 -1.26 -5.12 119.74 110.71 3mcs s LYS 52 Ca 0.00 0.27 -0.30 0.00 -1.00 0.00 0.00 55.97 54.94 3mcs s LYS 52 Cb 0.00 -0.13 -0.09 0.00 -2.06 0.00 0.00 37.83 35.55 3mcs s LYS 52 CO 0.00 -0.12 1.99 2.41 0.10 0.00 0.00 175.35 179.73 3mcs n THR 53 N 3.87 0.74 -4.94 3.79 -1.04 -1.26 -4.69 114.28 110.75 3mcs n THR 53 Ca -0.23 -0.16 -0.33 0.00 -2.04 0.00 0.00 64.05 61.30 3mcs n THR 53 Cb 0.54 -2.32 -0.15 0.00 -1.82 0.00 0.00 70.33 66.57 3mcs n THR 53 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3mcs s THR 54 N 4.74 2.63 0.04 12.58 2.01 0.91 -0.50 115.64 138.05 3mcs s THR 54 Ca 0.90 -0.81 -0.24 0.00 0.31 0.00 0.00 61.69 61.85 3mcs s THR 54 Cb -0.44 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.95 3mcs s THR 54 CO 0.42 0.54 0.73 -0.55 -0.69 0.00 0.00 174.62 175.07 3mcs s SER 55 N 0.37 7.17 -0.02 3.53 0.15 0.17 -1.13 113.70 123.94 3mcs s SER 55 Ca -0.14 1.39 0.06 0.00 0.70 0.00 0.00 55.95 57.97 3mcs s SER 55 Cb -0.17 -2.45 -0.02 0.00 -1.71 0.00 0.00 66.02 61.68 3mcs s SER 55 CO 0.07 0.03 -0.21 -0.31 1.20 0.00 0.00 173.24 174.02 3mcs s TYR 56 N -0.09 1.89 -0.13 3.44 1.51 -0.92 -1.63 117.35 121.42 3mcs s TYR 56 Ca 0.37 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 56.02 3mcs s TYR 56 Cb -0.20 -1.22 0.06 0.00 -0.11 0.00 0.00 41.96 40.49 3mcs s TYR 56 CO 0.22 -0.05 0.12 0.42 -1.11 0.00 0.00 175.55 175.16 3mcs s ILE 57 N -0.45 -0.18 -0.14 2.71 1.01 -0.40 -1.24 121.20 122.51 3mcs s ILE 57 Ca 0.07 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.63 3mcs s ILE 57 Cb -0.08 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 3mcs s ILE 57 CO -0.00 -0.08 0.42 -0.69 0.00 0.00 0.00 174.94 174.59 3mcs s VAL 58 N 2.22 5.22 -0.07 2.92 1.01 -0.08 -1.09 120.40 130.53 3mcs s VAL 58 Ca 0.04 0.82 0.02 0.00 0.00 0.00 0.00 61.98 62.86 3mcs s VAL 58 Cb -0.14 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3mcs s VAL 58 CO -0.08 0.33 -0.12 -1.61 0.00 0.00 0.00 175.10 173.62 3mcs s GLU 59 N 0.67 1.73 -0.05 2.72 2.02 -0.26 -0.66 118.70 124.88 3mcs s GLU 59 Ca 0.23 -0.42 0.01 0.00 0.02 0.00 0.00 54.97 54.80 3mcs s GLU 59 Cb -0.14 -1.43 0.02 0.00 0.10 0.00 0.00 34.13 32.68 3mcs s GLU 59 CO 0.08 0.03 -0.05 -1.50 0.02 0.00 0.00 175.26 173.84 3mcs s ILE 60 N 0.67 0.61 0.20 -1.63 2.07 -0.65 -1.52 121.20 120.95 3mcs s ILE 60 Ca -0.14 -0.16 0.08 0.00 -1.41 0.00 0.00 60.65 59.01 3mcs s ILE 60 Cb -0.16 -0.63 -0.05 0.00 0.13 0.00 0.00 42.46 41.76 3mcs s ILE 60 CO 0.04 0.24 -0.14 -0.31 -1.91 0.00 0.00 174.94 172.86 3mcs s TYR 61 N 0.92 1.69 0.25 3.50 1.51 0.57 -0.78 117.35 125.02 3mcs s TYR 61 Ca -0.11 -0.58 0.07 0.00 -1.01 0.00 0.00 57.07 55.44 3mcs s TYR 61 Cb -0.14 -0.79 0.29 0.00 -0.11 0.00 0.00 41.96 41.21 3mcs s TYR 61 CO 0.00 0.35 1.58 -0.97 -1.11 0.00 0.00 175.55 175.40 3mcs h ASN 62 N 2.57 0.14 -5.19 2.29 -0.73 -1.27 -1.03 115.58 112.37 3mcs h ASN 62 Ca -0.38 -0.09 0.11 0.00 1.87 0.00 0.00 56.30 57.81 3mcs h ASN 62 Cb 1.22 -0.04 -0.05 0.00 0.27 0.00 0.00 38.32 39.72 3mcs h ASN 62 CO 0.62 0.73 0.39 1.51 -0.37 0.00 0.00 177.43 180.31 3mcs s ASP 63 N -6.88 -0.13 0.53 1.15 1.47 -1.26 -4.07 116.67 107.48 3mcs s ASP 63 Ca -0.03 -0.66 0.29 0.00 1.18 0.00 0.00 52.55 53.33 3mcs s ASP 63 Cb 0.12 0.63 1.45 0.00 -0.34 0.00 0.00 42.92 44.78 3mcs s ASP 63 CO 0.78 -1.20 2.06 0.10 0.68 0.00 0.00 175.17 177.59 3mcs h TYR 64 N 2.00 0.00 -0.10 2.11 -0.00 -1.91 -2.22 116.97 116.85 3mcs h TYR 64 Ca -0.25 0.00 -0.23 0.00 0.00 0.00 0.00 58.73 58.25 3mcs h TYR 64 Cb 1.24 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.98 3mcs h TYR 64 CO 0.78 0.11 -0.85 1.25 -0.00 0.00 0.00 178.16 179.45 3mcs h LEU 65 N 0.00 0.87 -0.77 0.10 5.85 -1.98 -0.44 115.31 118.94 3mcs h LEU 65 Ca -0.00 -0.60 -0.06 0.00 0.84 0.00 0.00 57.88 58.06 3mcs h LEU 65 Cb 0.38 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3mcs h LEU 65 CO 0.01 1.40 0.24 0.00 -0.34 0.00 0.00 178.44 179.76 3mcs h ALA 66 N 0.57 1.00 -0.25 1.25 0.00 -1.79 -1.00 119.26 119.04 3mcs h ALA 66 Ca -0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3mcs h ALA 66 Cb 1.48 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3mcs h ALA 66 CO 0.17 0.67 -0.00 0.35 0.00 0.00 0.00 179.25 180.44 3mcs h PHE 67 N 1.12 0.48 -0.32 0.00 3.57 -1.36 -2.04 116.94 118.40 3mcs h PHE 67 Ca 0.24 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 3mcs h PHE 67 Cb 0.30 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3mcs h PHE 67 CO 0.03 0.61 -0.03 0.66 -2.23 0.00 0.00 178.31 177.34 3mcs h SER 68 N 0.21 0.47 -0.12 0.41 4.64 -0.80 -1.13 113.55 117.24 3mcs h SER 68 Ca 0.07 -0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.16 3mcs h SER 68 Cb 0.42 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3mcs h SER 68 CO 0.01 0.56 -0.40 0.78 -0.87 0.00 0.00 176.83 176.92 3mcs h ASN 69 N 0.48 0.69 -0.60 4.97 2.35 -1.16 -3.12 115.58 119.19 3mcs h ASN 69 Ca 0.10 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3mcs h ASN 69 Cb 0.36 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3mcs h ASN 69 CO 0.01 1.01 0.37 -0.74 -1.65 0.00 0.00 177.43 176.43 3mcs h HIS 70 N 0.53 0.78 0.00 1.19 -0.00 -0.48 -0.14 115.15 117.04 3mcs h HIS 70 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 3mcs h HIS 70 Cb 0.92 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.07 3mcs h HIS 70 CO 0.04 0.53 0.00 1.79 -0.00 0.00 0.00 177.93 180.29 3mcs h THR 71 N 0.81 0.00 0.00 6.26 1.35 -1.26 -2.27 112.91 117.80 3mcs h THR 71 Ca 0.22 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 3mcs h THR 71 Cb -0.03 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 3mcs h THR 71 CO -0.04 0.00 -1.55 0.29 -0.25 0.00 0.00 175.52 173.97 3mcs n LYS 72 N -2.34 0.48 -1.83 4.72 5.02 -0.56 -4.62 118.16 119.03 3mcs n LYS 72 Ca 0.01 -0.11 -0.29 0.00 -2.02 0.00 0.00 58.31 55.90 3mcs n LYS 72 Cb 0.19 -1.49 0.13 0.00 -0.02 0.00 0.00 35.03 33.84 3mcs n LYS 72 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3mcs s ASN 73 N -3.80 3.88 0.18 4.39 3.84 -0.17 -4.87 114.94 118.39 3mcs s ASN 73 Ca -0.01 0.67 -0.10 0.00 0.21 0.00 0.00 52.86 53.63 3mcs s ASN 73 Cb 0.14 -1.05 0.09 0.00 -0.55 0.00 0.00 41.25 39.88 3mcs s ASN 73 CO 0.86 -2.29 1.71 -0.61 -2.79 0.00 0.00 177.10 173.97 3mcs h GLN 74 N -1.33 1.01 -0.09 0.43 5.75 -1.91 -2.72 115.11 116.25 3mcs h GLN 74 Ca -0.46 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 57.85 3mcs h GLN 74 Cb 1.30 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 29.66 3mcs h GLN 74 CO 0.57 0.90 -0.26 0.00 -2.65 0.00 0.00 178.83 177.39 3mcs h ALA 75 N 1.07 -0.29 -0.62 3.38 0.00 -1.91 -1.39 119.26 119.50 3mcs h ALA 75 Ca 0.21 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 3mcs h ALA 75 Cb 0.32 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3mcs h ALA 75 CO -0.00 -0.74 0.03 1.03 0.00 0.00 0.00 179.25 179.57 3mcs h SER 76 N -0.35 1.04 -0.67 0.00 0.87 -1.76 -1.92 113.55 110.76 3mcs h SER 76 Ca 0.09 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.36 3mcs h SER 76 Cb 0.48 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3mcs h SER 76 CO -0.29 1.07 0.40 0.50 -0.53 0.00 0.00 176.83 177.99 3mcs h LYS 77 N 0.99 0.93 -0.12 2.24 3.64 -1.17 0.12 116.57 123.19 3mcs h LYS 77 Ca 0.18 -0.08 -0.18 0.00 -1.27 0.00 0.00 60.65 59.30 3mcs h LYS 77 Cb 0.52 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3mcs h LYS 77 CO 0.02 0.66 -0.63 -0.44 -2.27 0.00 0.00 179.45 176.80 3mcs h ASP 78 N 0.94 0.76 -0.04 4.20 3.32 -1.02 -2.80 116.42 121.77 3mcs h ASP 78 Ca 0.25 -0.64 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 3mcs h ASP 78 Cb -0.02 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 3mcs h ASP 78 CO -0.04 1.28 -0.01 0.15 -1.72 0.00 0.00 179.24 178.89 3mcs h PHE 79 N 0.29 0.10 -0.26 4.55 3.57 -1.07 -2.81 116.94 121.30 3mcs h PHE 79 Ca -0.04 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.51 3mcs h PHE 79 Cb 1.27 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 3mcs h PHE 79 CO 0.10 0.42 0.20 0.87 -2.23 0.00 0.00 178.31 177.68 3mcs h LYS 80 N -0.26 0.00 0.00 1.11 6.56 -0.87 0.85 116.57 123.97 3mcs h LYS 80 Ca 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 3mcs h LYS 80 Cb 0.39 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 3mcs h LYS 80 CO 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.39 3mcs h ALA 81 N 1.84 1.00 0.00 3.86 0.00 -1.24 -3.26 119.26 121.46 3mcs h ALA 81 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.74 3mcs h ALA 81 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3mcs h ALA 81 CO -0.00 0.00 -2.27 0.28 0.00 0.00 0.00 179.25 177.26 3mcs n VAL 82 N -2.76 1.10 -0.28 0.00 0.31 0.21 -4.63 118.33 112.28 3mcs n VAL 82 Ca 0.02 -0.76 -0.02 0.00 -0.01 0.00 0.00 64.34 63.57 3mcs n VAL 82 Cb 0.33 -0.39 0.04 0.00 -0.91 0.00 0.00 33.84 32.91 3mcs n VAL 82 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3mcs h ILE 83 N 0.00 0.12 -0.30 2.52 2.04 -1.38 -1.65 117.51 118.85 3mcs h ILE 83 Ca -0.43 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.51 3mcs h ILE 83 Cb 1.98 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3mcs h ILE 83 CO 0.02 0.00 0.22 -0.65 0.00 0.00 0.00 178.15 177.74 3mcs h PRO 84 N -0.07 0.00 -0.01 2.37 0.11 -1.82 0.29 132.00 132.87 3mcs h PRO 84 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3mcs h PRO 84 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3mcs h PRO 84 CO -0.82 0.00 -0.32 0.00 -0.21 0.00 0.00 178.00 176.65 3mcs n GLN 85 N -4.41 0.57 0.00 1.05 10.64 -0.64 -4.09 117.38 120.50 3mcs n GLN 85 Ca 0.04 -0.32 0.02 0.00 -1.83 0.00 0.00 57.00 54.91 3mcs n GLN 85 Cb 0.39 -1.49 -0.01 0.00 -0.86 0.00 0.00 30.24 28.27 3mcs n GLN 85 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3mcs n ILE 86 N -0.94 0.00 -4.08 -0.39 -5.35 -0.23 -4.96 119.36 103.42 3mcs n ILE 86 Ca 0.10 -0.45 -0.34 0.00 -0.27 0.00 0.00 62.75 61.79 3mcs n ILE 86 Cb 0.34 1.02 -0.10 0.00 -1.74 0.00 0.00 39.64 39.16 3mcs n ILE 86 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mcs s ALA 87 N -1.02 3.35 -0.14 -1.28 0.00 0.87 -1.13 121.76 122.42 3mcs s ALA 87 Ca 0.02 -0.75 -0.28 0.00 0.00 0.00 0.00 51.96 50.95 3mcs s ALA 87 Cb 0.02 -1.85 -0.26 0.00 0.00 0.00 0.00 23.12 21.04 3mcs s ALA 87 CO 0.10 0.21 0.74 1.49 0.00 0.00 0.00 175.76 178.31 3mcs h GLU 88 N 6.58 0.02 0.00 0.00 4.57 -1.20 -3.44 114.58 121.11 3mcs h GLU 88 Ca -0.37 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 3mcs h GLU 88 Cb 1.17 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3mcs h GLU 88 CO 0.69 1.01 0.00 0.41 -1.18 0.00 0.00 179.01 179.94 3mcs n GLY 89 N 1.60 1.73 5.36 1.92 0.00 -1.25 -5.04 105.19 109.52 3mcs n GLY 89 Ca -0.12 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3mcs n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mcs n ASN 90 N 0.00 0.00 -3.00 1.61 4.13 -1.26 -2.96 115.26 113.78 3mcs n ASN 90 Ca 0.00 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.12 3mcs n ASN 90 Cb 0.00 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.31 3mcs n ASN 90 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3mcs n LEU 91 N 0.00 -3.63 -4.91 3.41 0.00 -1.24 -5.03 117.00 105.60 3mcs n LEU 91 Ca 0.00 -0.50 -0.28 0.00 0.00 0.00 0.00 56.01 55.23 3mcs n LEU 91 Cb 0.00 -2.65 0.06 0.00 0.00 0.00 0.00 43.42 40.83 3mcs n LEU 91 CO 0.00 0.33 0.67 0.20 0.00 0.00 0.00 177.39 178.59 3mcs s ASN 92 N -4.04 4.96 -0.30 1.96 0.01 -0.36 -4.90 114.94 112.26 3mcs s ASN 92 Ca 0.04 0.70 -0.11 0.00 -0.71 0.00 0.00 52.86 52.78 3mcs s ASN 92 Cb -0.02 -1.39 0.14 0.00 0.41 0.00 0.00 41.25 40.39 3mcs s ASN 92 CO 0.60 -1.55 0.74 -0.94 -1.51 0.00 0.00 177.10 174.44 3mcs s SER 93 N -4.47 -0.99 -0.14 -1.22 1.04 -1.26 -1.68 113.70 104.97 3mcs s SER 93 Ca 0.59 1.33 -0.15 0.00 0.48 0.00 0.00 55.95 58.21 3mcs s SER 93 Cb -0.11 2.12 -0.05 0.00 0.10 0.00 0.00 66.02 68.09 3mcs s SER 93 CO 0.47 -0.19 0.33 0.00 0.98 0.00 0.00 173.24 174.83 3mcs s ALA 94 N 2.78 3.58 -0.18 5.32 0.00 -0.21 -4.93 121.76 128.12 3mcs s ALA 94 Ca -0.04 -0.39 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 3mcs s ALA 94 Cb -0.10 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 3mcs s ALA 94 CO -0.19 0.11 0.05 -1.21 0.00 0.00 0.00 175.76 174.53 3mcs s GLU 95 N 0.37 3.95 -0.08 0.00 2.02 -1.26 -0.96 118.70 122.74 3mcs s GLU 95 Ca 0.19 -0.35 0.04 0.00 0.02 0.00 0.00 54.97 54.86 3mcs s GLU 95 Cb -0.14 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 30.91 3mcs s GLU 95 CO 0.06 0.28 -0.20 0.42 0.02 0.00 0.00 175.26 175.84 3mcs s ILE 96 N 0.34 1.73 -0.43 -1.63 1.01 -0.03 -1.30 121.20 120.89 3mcs s ILE 96 Ca 0.03 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.54 3mcs s ILE 96 Cb -0.12 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 40.86 3mcs s ILE 96 CO 0.00 0.49 1.25 -1.81 0.00 0.00 0.00 174.94 174.87 3mcs s ASP 97 N 0.30 6.55 0.08 3.58 1.01 0.12 -4.18 116.67 124.12 3mcs s ASP 97 Ca -0.13 0.71 -0.31 0.00 0.71 0.00 0.00 52.55 53.53 3mcs s ASP 97 Cb -0.16 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.17 3mcs s ASP 97 CO 0.06 -1.28 1.24 -0.69 0.21 0.00 0.00 175.17 174.71 3mcs s VAL 98 N 4.75 3.88 -0.26 -1.27 1.01 -1.26 -1.88 120.40 125.37 3mcs s VAL 98 Ca 0.53 1.36 -0.12 0.00 0.00 0.00 0.00 61.98 63.75 3mcs s VAL 98 Cb -0.11 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.29 3mcs s VAL 98 CO 0.30 0.11 -0.33 0.00 0.00 0.00 0.00 175.10 175.18 3mcs n GLN 99 N 3.89 0.55 -4.03 2.72 1.13 0.02 -4.38 117.38 117.28 3mcs n GLN 99 Ca 0.09 0.24 -0.18 0.00 -1.94 0.00 0.00 57.00 55.21 3mcs n GLN 99 Cb 0.46 -1.43 -0.16 0.00 0.11 0.00 0.00 30.24 29.22 3mcs n GLN 99 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3mcs s ILE 100 N -2.48 0.31 -0.13 5.09 1.01 -0.67 -1.95 121.20 122.39 3mcs s ILE 100 Ca -0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 3mcs s ILE 100 Cb 0.14 -0.37 0.05 0.00 0.01 0.00 0.00 42.46 42.29 3mcs s ILE 100 CO 0.46 0.16 0.06 0.00 0.00 0.00 0.00 174.94 175.63 3mcs s ALA 101 N 0.85 0.51 -0.02 9.38 0.00 -0.67 0.11 121.76 131.92 3mcs s ALA 101 Ca -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.64 3mcs s ALA 101 Cb -0.13 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.09 3mcs s ALA 101 CO -0.01 -0.92 0.01 0.15 0.00 0.00 0.00 175.76 175.00 3mcs s LYS 102 N 2.08 0.08 0.21 0.00 1.02 -0.66 -0.40 119.74 122.07 3mcs s LYS 102 Ca 0.03 0.09 -0.15 0.00 0.02 0.00 0.00 55.97 55.96 3mcs s LYS 102 Cb -0.15 -0.25 0.01 0.00 -0.52 0.00 0.00 37.83 36.93 3mcs s LYS 102 CO -0.07 -0.10 0.48 0.16 -0.92 0.00 0.00 175.35 174.90 3mcs s ASP 103 N 0.71 -0.16 0.40 2.83 1.47 -0.78 -1.42 116.67 119.72 3mcs s ASP 103 Ca -0.06 -0.68 0.08 0.00 1.18 0.00 0.00 52.55 53.06 3mcs s ASP 103 Cb -0.09 0.57 -0.05 0.00 -0.34 0.00 0.00 42.92 43.01 3mcs s ASP 103 CO -0.02 -1.07 0.18 -1.59 0.68 0.00 0.00 175.17 173.35 3mcs s LYS 104 N -3.93 2.25 0.00 2.11 0.00 -0.42 -2.02 119.74 117.73 3mcs s LYS 104 Ca 0.14 -1.80 -0.30 0.00 0.00 0.00 0.00 55.97 54.02 3mcs s LYS 104 Cb -0.01 -2.02 -0.04 0.00 0.00 0.00 0.00 37.83 35.77 3mcs s LYS 104 CO 0.02 -0.08 1.08 0.21 0.00 0.00 0.00 175.35 176.58 3mcs s LYS 105 N -3.90 4.47 -0.25 1.78 2.36 -1.26 -4.44 119.74 118.50 3mcs s LYS 105 Ca 0.41 1.57 -0.10 0.00 -2.55 0.00 0.00 55.97 55.29 3mcs s LYS 105 Cb 0.03 -3.44 -0.05 0.00 -1.05 0.00 0.00 37.83 33.32 3mcs s LYS 105 CO 0.23 -0.20 0.15 0.42 1.55 0.00 0.00 175.35 177.50 3mcs s ILE 106 N 1.30 5.17 -0.64 5.43 1.01 -1.26 -5.02 121.20 127.19 3mcs s ILE 106 Ca 0.54 0.12 -0.09 0.00 0.00 0.00 0.00 60.65 61.22 3mcs s ILE 106 Cb -0.24 -3.43 0.17 0.00 0.01 0.00 0.00 42.46 38.97 3mcs s ILE 106 CO 0.26 0.32 0.52 -1.61 0.00 0.00 0.00 174.94 174.44 3mcs s GLU 107 N 1.33 2.90 0.55 2.79 0.41 -1.26 -4.71 118.70 120.71 3mcs s GLU 107 Ca 0.07 -2.24 -0.22 0.00 -0.41 0.00 0.00 54.97 52.17 3mcs s GLU 107 Cb -0.15 -4.05 -0.05 0.00 -1.78 0.00 0.00 34.13 28.11 3mcs s GLU 107 CO 0.06 -1.23 1.35 1.14 -0.49 0.00 0.00 175.26 176.10 3mcs s GLN 108 N 0.52 3.14 0.18 1.61 -2.07 -1.26 -5.01 119.66 116.77 3mcs s GLN 108 Ca 0.13 2.21 0.01 0.00 -1.82 0.00 0.00 55.36 55.89 3mcs s GLN 108 Cb -0.19 -2.25 -0.00 0.00 -1.09 0.00 0.00 33.01 29.48 3mcs s GLN 108 CO -0.04 -1.18 0.22 0.27 -1.32 0.00 0.00 175.29 173.24 3mcs n ASN 109 N -1.04 -0.60 0.24 12.60 0.23 -1.26 -5.03 115.26 120.40 3mcs n ASN 109 Ca 0.10 -2.02 0.07 0.00 -0.53 0.00 0.00 54.58 52.20 3mcs n ASN 109 Cb 0.45 1.17 0.58 0.00 -2.08 0.00 0.00 39.78 39.91 3mcs n ASN 109 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3mcs h ASP 110 N 1.03 0.00 0.73 0.53 3.32 -1.97 -2.98 116.42 117.08 3mcs h ASP 110 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3mcs h ASP 110 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3mcs h ASP 110 CO 0.19 0.10 -0.26 0.59 -1.72 0.00 0.00 179.24 178.13 3mcs n ASN 111 N -4.38 0.27 -4.70 6.45 4.13 -1.26 -4.91 115.26 110.87 3mcs n ASN 111 Ca -0.03 0.09 -0.44 0.00 1.68 0.00 0.00 54.58 55.89 3mcs n ASN 111 Cb 0.18 -0.10 -0.03 0.00 -1.54 0.00 0.00 39.78 38.28 3mcs n ASN 111 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3mcs n THR 112 N -1.49 0.03 -4.06 3.41 -1.04 -1.13 -3.62 114.28 106.39 3mcs n THR 112 Ca 0.06 -0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.78 3mcs n THR 112 Cb 0.34 -1.84 -0.17 0.00 -1.82 0.00 0.00 70.33 66.84 3mcs n THR 112 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3mcs s PHE 113 N 1.20 1.98 -0.01 -1.42 5.36 -0.87 -4.70 117.98 119.51 3mcs s PHE 113 Ca 0.77 -1.06 0.05 0.00 -0.96 0.00 0.00 56.93 55.72 3mcs s PHE 113 Cb -0.57 -1.48 -0.03 0.00 -0.34 0.00 0.00 43.02 40.60 3mcs s PHE 113 CO 0.35 -0.60 -0.14 0.00 -1.46 0.00 0.00 175.22 173.36 3mcs s ALA 114 N 1.46 2.71 -0.01 11.12 0.00 -1.25 -0.88 121.76 134.92 3mcs s ALA 114 Ca 0.03 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.96 3mcs s ALA 114 Cb -0.13 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 3mcs s ALA 114 CO -0.09 0.57 -0.08 0.08 0.00 0.00 0.00 175.76 176.25 3mcs s VAL 115 N -0.85 0.63 -0.14 0.00 1.01 -0.61 -0.34 120.40 120.10 3mcs s VAL 115 Ca 0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 3mcs s VAL 115 Cb -0.11 -0.53 0.03 0.00 0.00 0.00 0.00 36.38 35.78 3mcs s VAL 115 CO 0.03 0.18 -0.07 -0.47 0.00 0.00 0.00 175.10 174.77 3mcs s TYR 116 N -0.17 1.64 -0.04 5.22 5.04 -0.13 -1.91 117.35 126.99 3mcs s TYR 116 Ca 0.03 -0.94 0.06 0.00 -2.44 0.00 0.00 57.07 53.78 3mcs s TYR 116 Cb -0.03 -1.30 -0.02 0.00 0.35 0.00 0.00 41.96 40.96 3mcs s TYR 116 CO -0.00 -0.57 -0.21 0.99 -1.34 0.00 0.00 175.55 174.41 3mcs s THR 117 N 1.66 2.48 -0.07 4.34 2.01 -0.43 -1.06 115.64 124.57 3mcs s THR 117 Ca 0.03 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.13 3mcs s THR 117 Cb -0.14 -1.92 -0.00 0.00 0.01 0.00 0.00 72.50 70.45 3mcs s THR 117 CO -0.08 0.58 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.52 3mcs s VAL 118 N -0.60 1.87 -0.11 3.82 1.01 -0.76 -0.61 120.40 125.02 3mcs s VAL 118 Ca 0.09 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 3mcs s VAL 118 Cb -0.11 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.69 3mcs s VAL 118 CO 0.00 0.52 -0.08 -0.63 0.00 0.00 0.00 175.10 174.91 3mcs s ILE 119 N 0.17 1.04 -0.56 2.22 1.01 0.76 -2.24 121.20 123.60 3mcs s ILE 119 Ca -0.12 -0.30 -0.19 0.00 0.00 0.00 0.00 60.65 60.04 3mcs s ILE 119 Cb -0.16 -1.05 0.08 0.00 0.01 0.00 0.00 42.46 41.34 3mcs s ILE 119 CO 0.06 0.37 0.70 -1.81 0.00 0.00 0.00 174.94 174.25 3mcs s ASP 120 N 1.67 6.20 0.34 3.58 1.01 -0.68 -0.83 116.67 127.97 3mcs s ASP 120 Ca 0.04 -1.13 -0.17 0.00 0.71 0.00 0.00 52.55 52.00 3mcs s ASP 120 Cb -0.13 -2.31 -0.09 0.00 1.01 0.00 0.00 42.92 41.40 3mcs s ASP 120 CO -0.08 -1.04 0.79 0.54 0.21 0.00 0.00 175.17 175.59 3mcs s VAL 121 N 2.80 4.59 0.16 -1.27 0.11 -0.26 -0.37 120.40 126.16 3mcs s VAL 121 Ca 0.14 1.13 -0.31 0.00 -2.93 0.00 0.00 61.98 60.02 3mcs s VAL 121 Cb -0.21 -3.64 -0.08 0.00 -1.53 0.00 0.00 36.38 30.91 3mcs s VAL 121 CO 0.09 -0.17 1.34 -0.54 -3.33 0.00 0.00 175.10 172.49 3mcs s LYS 122 N -2.90 4.36 0.37 1.54 1.02 -1.26 -4.75 119.74 118.12 3mcs s LYS 122 Ca 0.55 2.05 0.13 0.00 0.02 0.00 0.00 55.97 58.72 3mcs s LYS 122 Cb -0.11 -3.22 0.94 0.00 -0.52 0.00 0.00 37.83 34.92 3mcs s LYS 122 CO 0.17 -0.32 1.82 -1.35 -0.92 0.00 0.00 175.35 174.74 3mcs h PRO 123 N 5.98 0.54 -1.00 -1.68 0.11 -1.95 -0.26 132.00 133.74 3mcs h PRO 123 Ca -0.44 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.79 3mcs h PRO 123 Cb 1.21 -0.12 -0.09 0.00 0.11 0.00 0.00 31.00 32.11 3mcs h PRO 123 CO 0.81 0.36 0.62 0.93 -0.21 0.00 0.00 178.00 180.51 3mcs h GLU 124 N 0.56 0.87 -0.44 1.05 3.07 -2.03 -2.95 114.58 114.72 3mcs h GLU 124 Ca 0.52 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 3mcs h GLU 124 Cb 1.08 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 3mcs h GLU 124 CO -0.26 0.58 0.00 0.09 -1.40 0.00 0.00 179.01 178.01 3mcs n ASN 125 N -4.67 3.34 -0.01 1.42 5.03 -0.15 -4.72 115.26 115.51 3mcs n ASN 125 Ca 0.20 -1.95 -0.11 0.00 0.87 0.00 0.00 54.58 53.60 3mcs n ASN 125 Cb 0.44 -0.29 -0.05 0.00 -1.02 0.00 0.00 39.78 38.86 3mcs n ASN 125 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 3mcs h ASP 126 N 3.69 0.14 0.19 6.41 3.58 -1.26 -1.54 116.42 127.63 3mcs h ASP 126 Ca 0.00 -0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.39 3mcs h ASP 126 Cb 0.89 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.86 3mcs h ASP 126 CO 0.00 0.16 -0.53 0.11 -2.88 0.00 0.00 179.24 176.11 3mcs h LYS 127 N 0.10 -0.77 -0.84 0.28 6.56 -1.84 -0.57 116.57 119.48 3mcs h LYS 127 Ca 0.04 0.05 0.05 0.00 -1.06 0.00 0.00 60.65 59.73 3mcs h LYS 127 Cb 0.06 0.18 -0.06 0.00 -0.57 0.00 0.00 32.23 31.84 3mcs h LYS 127 CO -0.01 -0.51 0.53 1.49 -2.06 0.00 0.00 179.45 178.89 3mcs h GLU 128 N -0.80 0.97 -0.74 3.15 4.81 -1.90 -2.62 114.58 117.45 3mcs h GLU 128 Ca -0.02 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 3mcs h GLU 128 Cb 0.78 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 3mcs h GLU 128 CO -0.25 0.64 0.23 0.35 -0.73 0.00 0.00 179.01 179.25 3mcs h PHE 129 N 1.00 1.20 -0.13 0.92 3.04 -1.01 -2.94 116.94 119.02 3mcs h PHE 129 Ca 0.35 -0.12 0.04 0.00 3.98 0.00 0.00 57.97 62.22 3mcs h PHE 129 Cb 0.09 -0.35 -0.04 0.00 2.56 0.00 0.00 35.95 38.21 3mcs h PHE 129 CO -0.03 0.95 -0.13 0.00 -2.02 0.00 0.00 178.31 177.08 3mcs h ALA 130 N 1.13 -0.05 -0.46 2.41 0.00 -0.71 0.80 119.26 122.39 3mcs h ALA 130 Ca 0.24 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3mcs h ALA 130 Cb 0.32 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3mcs h ALA 130 CO -0.01 -0.59 0.18 0.93 0.00 0.00 0.00 179.25 179.77 3mcs h GLU 131 N -0.16 0.65 0.16 0.00 4.39 -1.52 -1.25 114.58 116.84 3mcs h GLU 131 Ca 0.09 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3mcs h GLU 131 Cb 0.30 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3mcs h GLU 131 CO -0.23 0.54 -0.08 0.82 -1.16 0.00 0.00 179.01 178.91 3mcs h ILE 132 N 0.65 0.98 -0.41 3.13 2.04 -1.02 -2.82 117.51 120.06 3mcs h ILE 132 Ca 0.16 -0.75 -0.09 0.00 1.00 0.00 0.00 64.86 65.18 3mcs h ILE 132 Cb 0.14 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3mcs h ILE 132 CO -0.01 0.17 -0.12 -0.29 0.00 0.00 0.00 178.15 177.90 3mcs h ILE 133 N -0.58 1.26 -0.46 -0.67 2.10 -0.76 -2.34 117.51 116.05 3mcs h ILE 133 Ca -0.02 -1.16 0.08 0.00 1.08 0.00 0.00 64.86 64.84 3mcs h ILE 133 Cb 0.44 1.07 -0.07 0.00 -1.09 0.00 0.00 36.82 37.17 3mcs h ILE 133 CO 0.04 0.39 0.06 0.11 -1.08 0.00 0.00 178.15 177.67 3mcs h LYS 134 N 0.67 0.18 -0.16 2.19 1.57 -1.22 -0.40 116.57 119.40 3mcs h LYS 134 Ca 0.11 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3mcs h LYS 134 Cb 0.58 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3mcs h LYS 134 CO 0.04 0.12 0.08 -0.91 -0.57 0.00 0.00 179.45 178.20 3mcs h ASN 135 N 0.18 0.20 -0.87 0.86 4.21 -1.21 -2.45 115.58 116.49 3mcs h ASN 135 Ca 0.23 -0.11 0.03 0.00 1.21 0.00 0.00 56.30 57.66 3mcs h ASN 135 Cb 0.31 -0.05 -0.05 0.00 -1.12 0.00 0.00 38.32 37.41 3mcs h ASN 135 CO -0.33 0.25 0.57 0.40 -1.29 0.00 0.00 177.43 177.03 3mcs h ILE 136 N 0.14 1.16 -0.56 2.81 1.08 -1.08 -0.92 117.51 120.13 3mcs h ILE 136 Ca 0.05 -0.38 -0.07 0.00 -0.39 0.00 0.00 64.86 64.07 3mcs h ILE 136 Cb 0.10 -0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 33.78 3mcs h ILE 136 CO -0.01 0.20 0.06 0.58 -0.69 0.00 0.00 178.15 178.30 3mcs h VAL 137 N 1.11 1.25 -0.46 1.67 2.07 -0.94 -0.81 116.25 120.14 3mcs h VAL 137 Ca 0.34 -0.99 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 3mcs h VAL 137 Cb -0.02 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3mcs h VAL 137 CO -0.11 0.36 -0.09 -0.33 0.02 0.00 0.00 177.57 177.42 3mcs h GLU 138 N 0.87 0.87 -0.68 1.57 5.08 -0.93 -2.05 114.58 119.31 3mcs h GLU 138 Ca 0.17 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3mcs h GLU 138 Cb 0.42 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3mcs h GLU 138 CO 0.01 0.97 0.43 1.15 -1.00 0.00 0.00 179.01 180.57 3mcs h THR 139 N 0.71 1.11 -0.67 1.13 2.02 -0.99 -2.47 112.91 113.76 3mcs h THR 139 Ca 0.12 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 67.06 3mcs h THR 139 Cb 0.63 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 3mcs h THR 139 CO 0.04 0.16 0.38 0.74 0.37 0.00 0.00 175.52 177.21 3mcs h THR 140 N 0.86 0.98 -0.16 3.16 2.02 -0.83 -2.44 112.91 116.49 3mcs h THR 140 Ca 0.27 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 3mcs h THR 140 Cb -0.01 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 3mcs h THR 140 CO -0.09 0.13 -0.09 0.15 0.37 0.00 0.00 175.52 175.98 3mcs h PHE 141 N 0.70 0.25 0.00 3.16 3.57 -0.92 -0.74 116.94 122.97 3mcs h PHE 141 Ca 0.30 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3mcs h PHE 141 Cb 0.17 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3mcs h PHE 141 CO -0.07 0.34 0.00 0.09 -2.23 0.00 0.00 178.31 176.44 3mcs n ASN 142 N -4.31 0.00 -4.77 0.41 4.13 -0.95 -4.76 115.26 105.02 3mcs n ASN 142 Ca -0.01 0.38 -0.36 0.00 1.68 0.00 0.00 54.58 56.27 3mcs n ASN 142 Cb 0.24 -0.46 -0.00 0.00 -1.54 0.00 0.00 39.78 38.02 3mcs n ASN 142 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3mcs s GLU 143 N -2.91 3.61 0.04 3.52 2.56 -0.28 -4.96 118.70 120.27 3mcs s GLU 143 Ca 0.16 1.72 -0.30 0.00 0.00 0.00 0.00 54.97 56.54 3mcs s GLU 143 Cb 0.18 -2.26 -0.05 0.00 2.00 0.00 0.00 34.13 33.99 3mcs s GLU 143 CO 0.47 -0.66 1.17 -2.00 -0.56 0.00 0.00 175.26 173.68 3mcs s GLU 144 N -2.91 4.44 0.00 4.30 2.56 -1.26 -3.32 118.70 122.51 3mcs s GLU 144 Ca 0.67 1.71 0.00 0.00 0.00 0.00 0.00 54.97 57.34 3mcs s GLU 144 Cb -0.27 -3.39 0.00 0.00 2.00 0.00 0.00 34.13 32.47 3mcs s GLU 144 CO 0.32 -0.25 0.00 0.41 -0.56 0.00 0.00 175.26 175.18 3mcs n GLY 145 N 3.19 2.99 3.68 -1.50 0.00 -1.26 -4.92 105.19 107.36 3mcs n GLY 145 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3mcs n GLY 145 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mcs s THR 146 N -2.64 3.79 -0.03 2.61 2.01 -1.21 -0.23 115.64 119.94 3mcs s THR 146 Ca 0.00 1.11 0.18 0.00 0.31 0.00 0.00 61.69 63.30 3mcs s THR 146 Cb 0.00 -3.72 -0.28 0.00 0.01 0.00 0.00 72.50 68.51 3mcs s THR 146 CO 0.00 -0.03 0.40 0.18 -0.69 0.00 0.00 174.62 174.48 3mcs n LEU 147 N 5.82 0.00 -3.63 4.42 4.77 0.14 -4.91 117.00 123.61 3mcs n LEU 147 Ca 0.14 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.01 3mcs n LEU 147 Cb 0.44 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 3mcs n LEU 147 CO 0.59 0.00 0.66 -0.22 -1.33 0.00 0.00 177.39 177.09 3mcs s LEU 148 N -4.28 -0.52 -0.09 2.23 0.20 -0.88 -1.30 118.68 114.04 3mcs s LEU 148 Ca -0.07 1.00 -0.03 0.00 0.69 0.00 0.00 54.13 55.72 3mcs s LEU 148 Cb 0.12 2.02 0.04 0.00 -0.43 0.00 0.00 46.19 47.94 3mcs s LEU 148 CO 0.76 -0.18 0.11 0.68 -0.29 0.00 0.00 176.35 177.43 3mcs s VAL 149 N 0.24 -0.17 -0.19 1.68 -7.23 -0.50 -1.43 120.40 112.79 3mcs s VAL 149 Ca 0.02 0.28 -0.01 0.00 -1.81 0.00 0.00 61.98 60.46 3mcs s VAL 149 Cb -0.05 -0.30 0.01 0.00 0.56 0.00 0.00 36.38 36.60 3mcs s VAL 149 CO -0.04 0.07 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.37 3mcs s TYR 150 N 2.22 2.84 -0.07 2.82 2.02 0.54 -1.65 117.35 126.07 3mcs s TYR 150 Ca 0.04 -1.31 0.03 0.00 -0.37 0.00 0.00 57.07 55.47 3mcs s TYR 150 Cb -0.13 -1.98 0.01 0.00 -0.40 0.00 0.00 41.96 39.46 3mcs s TYR 150 CO -0.05 -0.67 -0.17 -1.17 -1.57 0.00 0.00 175.55 171.92 3mcs s LEU 151 N 1.28 1.83 0.00 -1.29 2.96 0.12 -1.37 118.68 122.21 3mcs s LEU 151 Ca 0.04 -0.39 -0.17 0.00 -0.22 0.00 0.00 54.13 53.38 3mcs s LEU 151 Cb -0.14 -1.04 0.06 0.00 0.50 0.00 0.00 46.19 45.58 3mcs s LEU 151 CO -0.08 0.09 0.87 0.61 -1.32 0.00 0.00 176.35 176.52 3mcs n GLY 152 N 3.62 0.85 3.43 7.98 0.00 -0.88 -0.80 105.19 119.38 3mcs n GLY 152 Ca -0.21 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 3mcs n GLY 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mcs s THR 153 N -2.10 2.63 0.36 2.61 -4.23 -0.79 -0.43 115.64 113.69 3mcs s THR 153 Ca 0.18 -1.20 -0.28 0.00 -1.18 0.00 0.00 61.69 59.21 3mcs s THR 153 Cb -0.04 -2.08 -0.10 0.00 1.34 0.00 0.00 72.50 71.62 3mcs s THR 153 CO 0.09 0.37 1.36 -0.62 -0.54 0.00 0.00 174.62 175.28 3mcs s ASP 154 N -1.32 6.58 0.37 3.99 -1.08 -0.22 -0.70 116.67 124.29 3mcs s ASP 154 Ca 0.14 2.79 0.26 0.00 -0.52 0.00 0.00 52.55 55.22 3mcs s ASP 154 Cb -0.10 -2.65 0.82 0.00 -1.46 0.00 0.00 42.92 39.52 3mcs s ASP 154 CO 0.04 -0.68 1.76 0.03 0.52 0.00 0.00 175.17 176.84 3mcs h ARG 155 N 3.16 0.00 0.00 4.34 3.08 -1.56 -2.63 114.38 120.77 3mcs h ARG 155 Ca -0.50 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.47 3mcs h ARG 155 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 3mcs h ARG 155 CO 0.65 0.00 -0.41 0.00 -1.07 0.00 0.00 179.97 179.13 3mcs h ARG 156 N 0.00 0.00 -0.91 0.04 3.08 -1.91 -3.44 114.38 111.24 3mcs h ARG 156 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 3mcs h ARG 156 Cb 0.70 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.55 3mcs h ARG 156 CO 0.00 0.41 -0.29 1.21 -1.07 0.00 0.00 179.97 180.23 3mcs s ASN 157 N -6.40 -1.40 0.00 7.04 2.47 -1.00 -5.04 114.94 110.61 3mcs s ASN 157 Ca 0.03 0.42 0.18 0.00 0.42 0.00 0.00 52.86 53.91 3mcs s ASN 157 Cb 0.08 1.99 1.05 0.00 -1.45 0.00 0.00 41.25 42.93 3mcs s ASN 157 CO 0.71 -0.26 1.49 2.22 -3.72 0.00 0.00 177.10 177.55 3mcs n PHE 158 N 5.40 0.00 1.18 0.43 1.16 -1.19 -1.25 117.46 123.19 3mcs n PHE 158 Ca 0.03 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.74 3mcs n PHE 158 Cb 0.53 -0.05 0.47 0.00 -1.61 0.00 0.00 39.48 38.82 3mcs n PHE 158 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3mcs n ASN 159 N -1.05 0.48 -4.33 5.98 5.03 -1.26 -4.68 115.26 115.43 3mcs n ASN 159 Ca 0.13 -0.33 -0.46 0.00 0.87 0.00 0.00 54.58 54.78 3mcs n ASN 159 Cb 0.08 -0.02 -0.04 0.00 -1.02 0.00 0.00 39.78 38.78 3mcs n ASN 159 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3mcs s LYS 160 N -2.73 3.19 0.11 3.52 2.20 -0.38 -1.10 119.74 124.54 3mcs s LYS 160 Ca 0.20 -1.85 -0.21 0.00 -0.36 0.00 0.00 55.97 53.75 3mcs s LYS 160 Cb 0.19 -4.35 -0.07 0.00 -1.51 0.00 0.00 37.83 32.09 3mcs s LYS 160 CO 0.56 -1.37 0.64 -1.58 -0.36 0.00 0.00 175.35 173.24 3mcs s TRP 161 N 1.44 3.83 -0.11 4.03 0.52 -0.01 -1.06 118.94 127.58 3mcs s TRP 161 Ca 0.10 1.39 0.02 0.00 0.02 0.00 0.00 56.10 57.63 3mcs s TRP 161 Cb -0.23 -2.58 0.01 0.00 -1.15 0.00 0.00 33.47 29.52 3mcs s TRP 161 CO -0.00 0.56 -0.17 0.00 0.02 0.00 0.00 176.95 177.35 3mcs s LEU 163 N 0.84 1.91 -0.17 0.00 2.96 0.22 -2.07 118.68 122.37 3mcs s LEU 163 Ca -0.09 -0.67 -0.04 0.00 -0.22 0.00 0.00 54.13 53.10 3mcs s LEU 163 Cb -0.16 -1.15 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 3mcs s LEU 163 CO 0.00 -0.11 -0.02 0.12 -1.32 0.00 0.00 176.35 175.02 3mcs s PHE 164 N 1.48 3.06 -0.04 5.38 5.36 -0.47 -1.31 117.98 131.44 3mcs s PHE 164 Ca 0.02 -0.26 -0.03 0.00 -0.96 0.00 0.00 56.93 55.70 3mcs s PHE 164 Cb -0.15 -1.99 0.02 0.00 -0.34 0.00 0.00 43.02 40.56 3mcs s PHE 164 CO -0.09 -0.03 0.11 -1.83 -1.46 0.00 0.00 175.22 171.92 3mcs s GLU 165 N 0.44 0.11 -0.02 10.12 -1.05 -0.80 -0.34 118.70 127.15 3mcs s GLU 165 Ca -0.02 0.19 0.08 0.00 -0.15 0.00 0.00 54.97 55.06 3mcs s GLU 165 Cb -0.14 0.00 -0.02 0.00 -0.44 0.00 0.00 34.13 33.53 3mcs s GLU 165 CO 0.02 -0.05 -0.26 0.08 0.95 0.00 0.00 175.26 176.01 3mcs s VAL 166 N 0.30 2.09 0.18 1.83 1.01 -0.51 -1.57 120.40 123.73 3mcs s VAL 166 Ca -0.02 -1.10 0.08 0.00 0.00 0.00 0.00 61.98 60.93 3mcs s VAL 166 Cb -0.03 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3mcs s VAL 166 CO -0.01 0.57 -0.16 -0.31 0.00 0.00 0.00 175.10 175.20 3mcs s TYR 167 N -0.62 1.72 0.28 5.22 1.51 -0.06 -0.68 117.35 124.72 3mcs s TYR 167 Ca 0.10 -0.53 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 3mcs s TYR 167 Cb -0.10 -0.83 0.40 0.00 -0.11 0.00 0.00 41.96 41.32 3mcs s TYR 167 CO -0.01 0.32 1.71 1.57 -1.11 0.00 0.00 175.55 178.04 3mcs h LYS 168 N 2.94 0.46 -3.26 -0.62 -0.00 -0.91 -2.32 116.57 112.86 3mcs h LYS 168 Ca -0.40 -0.18 -0.01 0.00 -0.00 0.00 0.00 60.65 60.06 3mcs h LYS 168 Cb 1.21 -0.02 -0.10 0.00 -0.00 0.00 0.00 32.23 33.32 3mcs h LYS 168 CO 0.56 0.70 0.06 0.16 -0.00 0.00 0.00 179.45 180.94 3mcs s ASP 169 N -6.82 -0.28 0.47 7.07 1.47 -1.24 -3.46 116.67 113.88 3mcs s ASP 169 Ca -0.07 -0.47 0.13 0.00 1.18 0.00 0.00 52.55 53.33 3mcs s ASP 169 Cb 0.14 0.60 1.08 0.00 -0.34 0.00 0.00 42.92 44.40 3mcs s ASP 169 CO 0.79 -1.08 2.07 -0.29 0.68 0.00 0.00 175.17 177.34 3mcs h ILE 170 N 2.16 1.07 -0.53 2.11 2.10 -1.90 -2.19 117.51 120.32 3mcs h ILE 170 Ca -0.28 -0.27 -0.08 0.00 1.08 0.00 0.00 64.86 65.31 3mcs h ILE 170 Cb 1.26 1.02 -0.02 0.00 -1.09 0.00 0.00 36.82 38.00 3mcs h ILE 170 CO 0.36 0.09 0.01 0.44 -1.08 0.00 0.00 178.15 177.96 3mcs h ASP 171 N 0.12 0.91 -0.81 2.19 5.19 -1.97 -2.30 116.42 119.75 3mcs h ASP 171 Ca 0.03 -0.30 0.07 0.00 -0.62 0.00 0.00 57.03 56.20 3mcs h ASP 171 Cb 0.11 -0.25 -0.06 0.00 0.18 0.00 0.00 39.33 39.31 3mcs h ASP 171 CO 0.00 0.99 0.49 0.28 -3.12 0.00 0.00 179.24 177.89 3mcs h SER 172 N 0.81 0.75 -0.20 6.45 0.02 -1.75 0.12 113.55 119.76 3mcs h SER 172 Ca 0.15 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3mcs h SER 172 Cb 0.52 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3mcs h SER 172 CO 0.03 0.47 0.05 0.22 -1.14 0.00 0.00 176.83 176.46 3mcs h TYR 173 N 0.88 0.32 -0.50 3.45 3.20 -1.45 -2.17 116.97 120.71 3mcs h TYR 173 Ca 0.36 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 3mcs h TYR 173 Cb 0.21 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3mcs h TYR 173 CO -0.05 0.42 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.80 3mcs h LEU 174 N 0.13 0.83 -1.33 2.82 3.38 -0.78 -1.87 115.31 118.49 3mcs h LEU 174 Ca 0.06 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3mcs h LEU 174 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3mcs h LEU 174 CO -0.00 0.90 -0.34 0.78 0.09 0.00 0.00 178.44 179.88 3mcs h ASN 175 N 0.79 0.00 -0.12 -0.43 2.35 -0.78 -0.45 115.58 116.94 3mcs h ASN 175 Ca 0.15 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3mcs h ASN 175 Cb 0.50 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 3mcs h ASN 175 CO 0.03 0.34 0.01 -0.74 -1.65 0.00 0.00 177.43 175.42 3mcs h HIS 176 N 0.00 0.22 -0.00 1.19 -0.00 -0.68 -2.88 115.15 113.00 3mcs h HIS 176 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 3mcs h HIS 176 Cb 0.60 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 3mcs h HIS 176 CO 0.00 0.41 -0.32 2.89 -0.00 0.00 0.00 177.93 180.91 3mcs n ARG 177 N -4.82 0.00 -0.22 5.26 1.85 -0.81 -3.10 116.66 114.83 3mcs n ARG 177 Ca -0.06 -0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.90 3mcs n ARG 177 Cb 0.18 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 30.36 3mcs n ARG 177 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3mcs n SER 178 N -1.50 3.03 -4.83 2.89 3.41 -0.20 -4.32 113.62 112.10 3mcs n SER 178 Ca 0.06 -1.95 -0.35 0.00 -0.26 0.00 0.00 58.87 56.37 3mcs n SER 178 Cb 0.34 -0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 3mcs n SER 178 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mcs s ALA 179 N -1.41 3.44 0.22 7.33 0.00 -1.09 -4.92 121.76 125.32 3mcs s ALA 179 Ca 0.38 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 3mcs s ALA 179 Cb 0.21 -2.75 0.29 0.00 0.00 0.00 0.00 23.12 20.87 3mcs s ALA 179 CO 0.29 0.36 1.64 0.87 0.00 0.00 0.00 175.76 178.92 3mcs h LYS 180 N 3.29 0.06 -0.61 0.00 6.56 -1.91 -1.04 116.57 122.92 3mcs h LYS 180 Ca -0.48 -0.00 0.09 0.00 -1.06 0.00 0.00 60.65 59.19 3mcs h LYS 180 Cb 1.19 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.80 3mcs h LYS 180 CO 0.65 0.04 0.40 0.10 -2.06 0.00 0.00 179.45 178.59 3mcs h TYR 181 N 0.06 0.49 0.10 -1.35 -0.00 -1.94 0.13 116.97 114.46 3mcs h TYR 181 Ca 0.32 0.01 -0.19 0.00 -0.00 0.00 0.00 58.73 58.88 3mcs h TYR 181 Cb 0.52 -0.16 0.01 0.00 -0.00 0.00 0.00 36.73 37.10 3mcs h TYR 181 CO -0.44 0.24 -0.92 0.35 -0.00 0.00 0.00 178.16 177.40 3mcs h PHE 182 N 0.47 0.39 -0.57 0.10 3.57 -1.49 -2.84 116.94 116.57 3mcs h PHE 182 Ca 0.28 -0.28 0.06 0.00 3.53 0.00 0.00 57.97 61.55 3mcs h PHE 182 Cb 0.47 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 3mcs h PHE 182 CO -0.00 1.36 0.28 0.87 -2.23 0.00 0.00 178.31 178.59 3mcs h LYS 183 N -0.49 0.52 -0.95 1.11 1.57 -0.98 -0.45 116.57 116.89 3mcs h LYS 183 Ca -0.19 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.61 3mcs h LYS 183 Cb 1.56 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.69 3mcs h LYS 183 CO 0.07 0.34 0.62 -0.44 -0.57 0.00 0.00 179.45 179.47 3mcs h ASP 184 N 0.53 1.00 -0.29 0.86 3.32 -0.85 -1.76 116.42 119.23 3mcs h ASP 184 Ca 0.26 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3mcs h ASP 184 Cb 0.20 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3mcs h ASP 184 CO -0.19 0.66 0.05 0.22 -1.72 0.00 0.00 179.24 178.26 3mcs h TYR 185 N 1.14 0.50 -0.29 4.55 3.20 -1.03 0.51 116.97 125.55 3mcs h TYR 185 Ca 0.39 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 62.23 3mcs h TYR 185 Cb 0.11 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 3mcs h TYR 185 CO -0.00 0.56 0.10 0.82 -1.64 0.00 0.00 178.16 178.00 3mcs h ILE 186 N 0.29 0.93 0.13 1.81 1.08 -0.81 -0.80 117.51 120.15 3mcs h ILE 186 Ca 0.09 -0.08 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 3mcs h ILE 186 Cb 0.32 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 3mcs h ILE 186 CO 0.00 0.04 -0.14 0.74 -0.69 0.00 0.00 178.15 178.10 3mcs h THR 187 N 0.23 0.68 -0.84 -0.27 2.02 -1.21 -2.23 112.91 111.29 3mcs h THR 187 Ca 0.13 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.36 3mcs h THR 187 Cb 0.09 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 3mcs h THR 187 CO -0.13 0.00 0.53 -0.61 0.37 0.00 0.00 175.52 175.68 3mcs h GLN 188 N -0.31 0.96 -0.35 6.66 4.15 -0.57 -3.03 115.11 122.63 3mcs h GLN 188 Ca 0.01 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3mcs h GLN 188 Cb 0.30 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.77 3mcs h GLN 188 CO -0.04 0.64 0.00 0.25 -1.93 0.00 0.00 178.83 177.74 3mcs n THR 189 N -4.60 0.45 -0.19 2.39 -2.24 -0.33 -4.63 114.28 105.12 3mcs n THR 189 Ca 0.11 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3mcs n THR 189 Cb 0.14 0.79 0.09 0.00 -2.10 0.00 0.00 70.33 69.25 3mcs n THR 189 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3mcs h LYS 190 N 3.86 0.15 -2.33 -0.78 6.56 -1.27 -3.04 116.57 119.71 3mcs h LYS 190 Ca 0.00 -0.01 -0.58 0.00 -1.06 0.00 0.00 60.65 59.00 3mcs h LYS 190 Cb 0.85 -0.03 -0.13 0.00 -0.57 0.00 0.00 32.23 32.35 3mcs h LYS 190 CO 0.00 0.10 1.42 -0.40 -2.06 0.00 0.00 179.45 178.51 3mcs n ASP 191 N -5.23 7.19 -0.06 0.86 3.85 -1.26 -4.88 116.55 117.02 3mcs n ASP 191 Ca 0.08 -3.06 0.00 0.00 -0.71 0.00 0.00 54.79 51.10 3mcs n ASP 191 Cb 0.33 -1.33 0.00 0.00 -1.35 0.00 0.00 41.12 38.77 3mcs n ASP 191 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 3mcs n ILE 193 N 1.58 0.00 -0.05 2.12 5.41 -1.15 -4.98 119.36 122.29 3mcs n ILE 193 Ca 0.56 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 64.23 3mcs n ILE 193 Cb 0.44 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 39.22 3mcs n ILE 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3mcs n ALA 194 N -0.03 1.53 -3.57 -1.39 0.00 0.50 -4.85 120.51 112.69 3mcs n ALA 194 Ca 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 53.44 52.42 3mcs n ALA 194 Cb 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 3mcs n ALA 194 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mcs s GLY 195 N -5.22 -0.31 -0.21 0.00 0.00 -1.17 -5.01 107.32 95.39 3mcs s GLY 195 Ca -0.06 1.58 -0.17 0.00 0.00 0.00 0.00 44.72 46.07 3mcs s GLY 195 CO 0.83 0.59 0.55 1.25 0.00 0.00 0.00 173.10 176.32 3mcs s LYS 196 N -2.34 0.61 -0.21 2.90 2.20 -1.26 -1.68 119.74 119.96 3mcs s LYS 196 Ca 0.07 0.86 -0.02 0.00 -0.36 0.00 0.00 55.97 56.52 3mcs s LYS 196 Cb -0.01 0.21 0.06 0.00 -1.51 0.00 0.00 37.83 36.58 3mcs s LYS 196 CO -0.05 -0.11 0.01 -1.59 -0.36 0.00 0.00 175.35 173.25 3mcs s LYS 197 N 0.78 0.95 -0.20 4.03 0.00 -0.95 -5.02 119.74 119.33 3mcs s LYS 197 Ca -0.04 -0.59 -0.09 0.00 0.00 0.00 0.00 55.97 55.25 3mcs s LYS 197 Cb -0.05 -2.25 -0.05 0.00 0.00 0.00 0.00 37.83 35.48 3mcs s LYS 197 CO -0.06 -0.63 0.11 0.50 0.00 0.00 0.00 175.35 175.28 3mcs s ARG 198 N 1.72 4.13 -0.27 1.78 3.52 -1.26 -1.84 118.95 126.72 3mcs s ARG 198 Ca -0.02 -0.26 0.01 0.00 -0.13 0.00 0.00 55.73 55.33 3mcs s ARG 198 Cb -0.18 -3.37 0.08 0.00 -1.56 0.00 0.00 34.95 29.93 3mcs s ARG 198 CO -0.07 0.28 0.01 0.00 -0.81 0.00 0.00 175.30 174.71 3mcs s ALA 199 N 0.38 2.00 0.19 6.12 0.00 -0.23 -4.99 121.76 125.23 3mcs s ALA 199 Ca 0.07 -1.65 -0.30 0.00 0.00 0.00 0.00 51.96 50.07 3mcs s ALA 199 Cb -0.11 -1.58 -0.08 0.00 0.00 0.00 0.00 23.12 21.34 3mcs s ALA 199 CO -0.01 -1.42 1.30 -1.21 0.00 0.00 0.00 175.76 174.41 3mcs s GLU 200 N 1.37 4.40 0.03 0.00 2.02 -1.26 -0.96 118.70 124.30 3mcs s GLU 200 Ca 0.02 2.02 0.09 0.00 0.02 0.00 0.00 54.97 57.12 3mcs s GLU 200 Cb -0.18 -3.21 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 3mcs s GLU 200 CO -0.12 -0.25 -0.25 -0.51 0.02 0.00 0.00 175.26 174.16 3mcs s LEU 201 N -0.01 2.15 -0.41 1.80 1.43 0.54 -4.86 118.68 119.32 3mcs s LEU 201 Ca 0.57 -0.55 -0.25 0.00 -1.03 0.00 0.00 54.13 52.86 3mcs s LEU 201 Cb -0.36 -1.21 0.02 0.00 0.03 0.00 0.00 46.19 44.67 3mcs s LEU 201 CO 0.37 0.24 0.92 -1.58 0.23 0.00 0.00 176.35 176.53 3mcs s GLN 202 N -1.11 3.71 0.33 1.70 0.74 0.17 -3.83 119.66 121.37 3mcs s GLN 202 Ca 0.10 0.39 -0.29 0.00 0.05 0.00 0.00 55.36 55.61 3mcs s GLN 202 Cb -0.10 -3.85 -0.11 0.00 1.10 0.00 0.00 33.01 30.05 3mcs s GLN 202 CO 0.01 -1.06 1.43 0.08 -0.55 0.00 0.00 175.29 175.20 3mcs s VAL 203 N 3.58 2.41 -0.01 1.34 1.01 -1.26 -0.47 120.40 127.00 3mcs s VAL 203 Ca 0.37 0.39 -0.06 0.00 0.00 0.00 0.00 61.98 62.69 3mcs s VAL 203 Cb -0.11 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 3mcs s VAL 203 CO 0.22 0.08 -0.11 -0.11 0.00 0.00 0.00 175.10 175.18 3mcs n LEU 204 N 1.14 1.15 -3.68 3.92 0.00 -0.14 -4.88 117.00 114.51 3mcs n LEU 204 Ca 0.03 0.17 -0.09 0.00 0.00 0.00 0.00 56.01 56.11 3mcs n LEU 204 Cb 0.40 -0.43 -0.10 0.00 0.00 0.00 0.00 43.42 43.29 3mcs n LEU 204 CO 0.61 -0.56 0.14 -0.75 0.00 0.00 0.00 177.39 176.83 3mcs s LYS 205 N -2.08 0.48 -0.06 1.96 2.47 -0.92 -5.01 119.74 116.58 3mcs s LYS 205 Ca -0.09 0.94 0.02 0.00 -1.56 0.00 0.00 55.97 55.29 3mcs s LYS 205 Cb 0.01 0.07 0.01 0.00 -1.46 0.00 0.00 37.83 36.46 3mcs s LYS 205 CO 0.13 -0.16 -0.12 0.42 0.16 0.00 0.00 175.35 175.78 3mcs s ILE 206 N 1.59 1.11 -0.05 5.43 1.01 -1.26 -0.91 121.20 128.11 3mcs s ILE 206 Ca -0.09 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 3mcs s ILE 206 Cb -0.08 -1.01 0.04 0.00 0.01 0.00 0.00 42.46 41.41 3mcs s ILE 206 CO -0.15 0.35 0.11 -1.61 0.00 0.00 0.00 174.94 173.64 3mcs s GLU 207 N 0.64 0.05 0.08 2.79 0.41 -0.98 -4.70 118.70 116.99 3mcs s GLU 207 Ca -0.14 0.33 -0.14 0.00 -0.41 0.00 0.00 54.97 54.60 3mcs s GLU 207 Cb -0.15 -0.21 0.02 0.00 -1.78 0.00 0.00 34.13 32.01 3mcs s GLU 207 CO 0.03 -0.17 0.34 0.54 -0.49 0.00 0.00 175.26 175.51 3mcs s ASN 208 N 1.20 -0.15 0.20 -0.19 4.22 -1.26 -1.32 114.94 117.65 3mcs s ASN 208 Ca -0.09 -0.28 -0.05 0.00 -2.14 0.00 0.00 52.86 50.31 3mcs s ASN 208 Cb -0.12 0.41 0.15 0.00 1.28 0.00 0.00 41.25 42.96 3mcs s ASN 208 CO -0.05 -0.72 1.60 0.50 -2.04 0.00 0.00 177.10 176.38 3mcs h LYS 209 N 2.81 0.77 0.00 3.55 3.64 -1.73 -3.42 116.57 122.19 3mcs h LYS 209 Ca -0.33 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 3mcs h LYS 209 Cb 1.22 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3mcs h LYS 209 CO 0.48 0.96 0.00 0.41 -2.27 0.00 0.00 179.45 179.02 3mcs n GLY 210 N -0.14 -2.13 2.16 5.01 0.00 -1.26 -4.72 105.19 104.11 3mcs n GLY 210 Ca -0.01 -1.49 -0.03 0.00 0.00 0.00 0.00 46.02 44.49 3mcs n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mcs n GLY 211 N -2.04 0.60 3.77 -0.02 0.00 -0.85 -4.83 105.19 101.81 3mcs n GLY 211 Ca 0.00 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 3mcs n GLY 211 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mcs s LEU 212 N -0.63 4.19 -0.48 0.99 2.96 -1.18 -4.85 118.68 119.68 3mcs s LEU 212 Ca 0.00 2.47 0.06 0.00 -0.22 0.00 0.00 54.13 56.44 3mcs s LEU 212 Cb 0.00 -3.99 0.18 0.00 0.50 0.00 0.00 46.19 42.89 3mcs s LEU 212 CO 0.00 -0.77 0.63 -0.62 -1.32 0.00 0.00 176.35 174.27 3mcs s ASP 213 N -0.99 -0.78 0.05 3.68 2.15 -1.23 -1.87 116.67 117.68 3mcs s ASP 213 Ca 0.57 -1.93 0.09 0.00 0.43 0.00 0.00 52.55 51.72 3mcs s ASP 213 Cb -0.34 1.38 -0.03 0.00 -0.30 0.00 0.00 42.92 43.64 3mcs s ASP 213 CO 0.42 -0.09 -0.26 -0.47 -0.17 0.00 0.00 175.17 174.61 3mcs s TYR 214 N 0.81 2.26 -0.11 -5.34 5.04 0.47 -5.01 117.35 115.46 3mcs s TYR 214 Ca 0.29 -0.41 -0.05 0.00 -2.44 0.00 0.00 57.07 54.46 3mcs s TYR 214 Cb -0.00 -1.34 0.05 0.00 0.35 0.00 0.00 41.96 41.02 3mcs s TYR 214 CO -0.08 0.14 0.24 0.15 -1.34 0.00 0.00 175.55 174.66 3mcs s LYS 215 N -1.31 0.17 -0.44 4.97 3.01 -1.26 -1.67 119.74 123.21 3mcs s LYS 215 Ca 0.11 0.60 -0.27 0.00 -1.01 0.00 0.00 55.97 55.41 3mcs s LYS 215 Cb -0.10 -0.10 -0.07 0.00 -1.01 0.00 0.00 37.83 36.55 3mcs s LYS 215 CO 0.02 -0.21 2.38 1.17 0.51 0.00 0.00 175.35 179.22 3mcs n LYS 216 N 4.67 1.21 0.00 1.68 4.81 -0.82 -5.03 118.16 124.68 3mcs n LYS 216 Ca -0.18 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 3mcs n LYS 216 Cb 0.52 -3.38 0.00 0.00 0.02 0.00 0.00 35.03 32.19 3mcs n LYS 216 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04