#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c8m s GLU 2 N 0.00 4.26 0.44 3.17 2.12 -1.26 -0.06 118.70 127.36 2c8m s GLU 2 Ca 0.00 0.69 0.06 0.00 0.36 0.00 0.00 54.97 56.08 2c8m s GLU 2 Cb 0.00 -3.31 -0.05 0.00 0.26 0.00 0.00 34.13 31.03 2c8m s GLU 2 CO 0.00 0.45 0.08 0.20 -0.54 0.00 0.00 175.26 175.45 2c8m s GLY 3 N -0.44 2.56 -0.22 -1.50 0.00 -0.73 -4.26 107.32 102.72 2c8m s GLY 3 Ca 0.30 -1.79 -0.05 0.00 0.00 0.00 0.00 44.72 43.18 2c8m s GLY 3 CO 0.17 -2.05 -0.01 0.50 0.00 0.00 0.00 173.10 171.70 2c8m s ARG 4 N -3.84 3.50 -0.36 2.90 0.52 0.70 -2.56 118.95 119.82 2c8m s ARG 4 Ca 0.31 -0.57 -0.14 0.00 -0.52 0.00 0.00 55.73 54.81 2c8m s ARG 4 Cb 0.06 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.44 2c8m s ARG 4 CO 0.16 -0.12 0.31 -1.17 0.02 0.00 0.00 175.30 174.50 2c8m s LEU 5 N 1.33 4.62 -0.25 2.53 2.96 -0.54 -0.97 118.68 128.37 2c8m s LEU 5 Ca 0.04 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.43 2c8m s LEU 5 Cb -0.15 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 2c8m s LEU 5 CO -0.00 -0.34 0.04 -0.76 -1.32 0.00 0.00 176.35 173.98 2c8m s LEU 6 N 1.85 3.36 -0.81 -0.68 1.43 -0.07 -1.03 118.68 122.73 2c8m s LEU 6 Ca 0.08 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2c8m s LEU 6 Cb -0.17 -1.87 0.37 0.00 0.03 0.00 0.00 46.19 44.54 2c8m s LEU 6 CO 0.11 -0.05 2.03 0.18 0.23 0.00 0.00 176.35 178.84 2c8m n LEU 7 N 4.89 7.55 -4.44 1.79 4.77 -1.26 -2.05 117.00 128.25 2c8m n LEU 7 Ca -0.16 -4.74 -0.38 0.00 -0.03 0.00 0.00 56.01 50.69 2c8m n LEU 7 Cb 0.51 -1.05 -0.12 0.00 -2.33 0.00 0.00 43.42 40.43 2c8m n LEU 7 CO 0.30 1.71 -0.21 -0.22 -1.33 0.00 0.00 177.39 177.64 2c8m s LEU 8 N -4.03 4.06 -0.01 2.23 2.96 -1.25 -4.98 118.68 117.66 2c8m s LEU 8 Ca 0.54 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.92 2c8m s LEU 8 Cb 0.45 -2.00 -0.00 0.00 0.50 0.00 0.00 46.19 45.15 2c8m s LEU 8 CO -0.34 -0.18 0.07 -1.83 -1.32 0.00 0.00 176.35 172.74 2c8m s GLU 9 N 1.61 0.25 -0.48 1.98 -1.05 -1.26 -4.69 118.70 115.06 2c8m s GLU 9 Ca 0.05 -0.19 0.07 0.00 -0.15 0.00 0.00 54.97 54.74 2c8m s GLU 9 Cb -0.17 0.10 0.24 0.00 -0.44 0.00 0.00 34.13 33.86 2c8m s GLU 9 CO 0.06 -0.05 0.56 0.25 0.95 0.00 0.00 175.26 177.03 2c8m n THR 10 N 2.29 0.21 0.32 1.83 -2.24 -1.26 -4.96 114.28 110.47 2c8m n THR 10 Ca -0.18 -4.32 0.19 0.00 -2.27 0.00 0.00 64.05 57.47 2c8m n THR 10 Cb 0.57 -1.97 1.08 0.00 -2.10 0.00 0.00 70.33 67.91 2c8m n THR 10 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2c8m h PRO 11 N 4.33 0.00 -0.00 -0.78 0.11 -1.94 0.65 132.00 134.36 2c8m h PRO 11 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2c8m h PRO 11 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2c8m h PRO 11 CO 0.57 0.00 -0.07 0.41 -0.21 0.00 0.00 178.00 178.70 2c8m n GLY 12 N -1.20 -1.24 2.61 -0.55 0.00 -1.26 -1.33 105.19 102.22 2c8m n GLY 12 Ca -0.03 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 2c8m n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2c8m s ASN 13 N -2.67 1.65 0.26 1.61 3.84 0.22 -5.01 114.94 114.83 2c8m s ASN 13 Ca 0.24 -2.03 -0.05 0.00 0.21 0.00 0.00 52.86 51.22 2c8m s ASN 13 Cb 0.20 0.16 0.29 0.00 -0.55 0.00 0.00 41.25 41.35 2c8m s ASN 13 CO 0.50 -0.25 1.91 0.74 -2.79 0.00 0.00 177.10 177.21 2c8m h THR 14 N 4.95 1.25 -0.79 -5.21 2.02 -1.77 -1.58 112.91 111.77 2c8m h THR 14 Ca 0.09 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2c8m h THR 14 Cb 1.01 -0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 2c8m h THR 14 CO 0.23 0.25 0.45 0.03 0.37 0.00 0.00 175.52 176.85 2c8m h ARG 15 N 1.27 1.09 -0.44 6.66 3.08 -1.91 0.78 114.38 124.91 2c8m h ARG 15 Ca 0.34 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 60.15 2c8m h ARG 15 Cb -0.09 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.73 2c8m h ARG 15 CO -0.07 0.79 -0.23 1.98 -1.07 0.00 0.00 179.97 181.38 2c8m h MET 16 N 1.10 0.90 -0.89 0.04 4.05 -1.72 -2.19 114.93 116.22 2c8m h MET 16 Ca 0.28 -0.38 0.05 0.00 -0.28 0.00 0.00 59.70 59.37 2c8m h MET 16 Cb 0.01 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.72 2c8m h MET 16 CO -0.05 1.03 0.57 1.03 0.23 0.00 0.00 176.91 179.72 2c8m h SER 17 N 0.78 0.93 0.25 1.39 0.87 -0.61 -0.72 113.55 116.43 2c8m h SER 17 Ca 0.10 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 2c8m h SER 17 Cb 0.78 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2c8m h SER 17 CO 0.06 0.62 -0.46 -0.07 -0.53 0.00 0.00 176.83 176.45 2c8m h LEU 18 N 1.08 0.28 -0.57 2.23 3.38 -0.72 -2.86 115.31 118.13 2c8m h LEU 18 Ca 0.37 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 2c8m h LEU 18 Cb 0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2c8m h LEU 18 CO -0.14 0.71 0.02 0.00 0.09 0.00 0.00 178.44 179.12 2c8m h ALA 19 N 1.30 0.77 0.00 1.53 0.00 -0.70 -1.74 119.26 120.42 2c8m h ALA 19 Ca 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2c8m h ALA 19 Cb 0.90 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2c8m h ALA 19 CO 0.07 0.58 -0.00 1.88 0.00 0.00 0.00 179.25 181.78 2c8m h TYR 20 N 0.88 0.00 0.05 0.00 0.05 -0.95 0.75 116.97 117.75 2c8m h TYR 20 Ca 0.16 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.60 2c8m h TYR 20 Cb 0.52 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.22 2c8m h TYR 20 CO 0.04 0.00 -1.98 -3.47 -1.05 0.00 0.00 178.16 171.70 2c8m n ASP 21 N -3.69 1.39 -0.28 3.88 2.03 -0.94 -1.02 116.55 117.91 2c8m n ASP 21 Ca -0.03 0.23 -0.05 0.00 0.52 0.00 0.00 54.79 55.46 2c8m n ASP 21 Cb 0.08 -0.30 0.06 0.00 -0.72 0.00 0.00 41.12 40.24 2c8m n ASP 21 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2c8m h GLU 22 N 0.03 1.05 -0.40 -0.67 4.81 -1.12 -2.83 114.58 115.44 2c8m h GLU 22 Ca -0.40 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 2c8m h GLU 22 Cb 2.04 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 31.19 2c8m h GLU 22 CO 0.06 0.76 0.22 0.00 -0.73 0.00 0.00 179.01 179.32 2c8m h ALA 23 N 1.23 0.52 -0.74 2.92 0.00 -0.61 -1.29 119.26 121.28 2c8m h ALA 23 Ca 0.27 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2c8m h ALA 23 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2c8m h ALA 23 CO -0.05 0.04 0.25 0.82 0.00 0.00 0.00 179.25 180.31 2c8m h ILE 24 N 0.52 1.26 -0.46 0.00 2.04 -1.06 0.89 117.51 120.71 2c8m h ILE 24 Ca 0.14 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 2c8m h ILE 24 Cb 0.05 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2c8m h ILE 24 CO -0.02 0.35 0.12 0.22 0.00 0.00 0.00 178.15 178.82 2c8m h TYR 25 N 1.09 0.76 0.00 1.37 3.20 -1.24 -2.88 116.97 119.27 2c8m h TYR 25 Ca 0.24 -0.09 -0.19 0.00 3.14 0.00 0.00 58.73 61.84 2c8m h TYR 25 Cb 0.29 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 2c8m h TYR 25 CO 0.02 0.69 -0.90 0.00 -1.64 0.00 0.00 178.16 176.33 2c8m h ARG 26 N 0.61 0.00 0.00 1.82 3.08 -1.05 -3.03 114.38 115.81 2c8m h ARG 26 Ca 0.14 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2c8m h ARG 26 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 2c8m h ARG 26 CO -0.00 0.84 -0.01 0.77 -1.07 0.00 0.00 179.97 180.50 2c8m h SER 27 N 0.00 0.00 -2.98 7.04 0.02 -0.82 -3.45 113.55 113.36 2c8m h SER 27 Ca -0.02 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.40 2c8m h SER 27 Cb 1.68 0.00 0.05 0.00 0.14 0.00 0.00 62.40 64.27 2c8m h SER 27 CO 0.11 0.01 0.85 0.12 -1.14 0.00 0.00 176.83 176.78 2c8m s PHE 28 N -3.64 3.03 -0.12 3.45 5.36 -1.09 -5.01 117.98 119.96 2c8m s PHE 28 Ca 0.02 0.72 -0.01 0.00 -0.96 0.00 0.00 56.93 56.70 2c8m s PHE 28 Cb 0.09 -3.92 -0.02 0.00 -0.34 0.00 0.00 43.02 38.83 2c8m s PHE 28 CO 0.56 -3.27 -0.09 -0.65 -1.46 0.00 0.00 175.22 170.30 2c8m s GLN 29 N 0.68 3.25 0.05 10.12 -0.21 -1.26 -4.97 119.66 127.31 2c8m s GLN 29 Ca 0.67 -0.60 -0.38 0.00 0.02 0.00 0.00 55.36 55.07 2c8m s GLN 29 Cb -0.44 -2.69 -0.19 0.00 1.00 0.00 0.00 33.01 30.70 2c8m s GLN 29 CO 0.35 0.36 1.07 0.98 -2.12 0.00 0.00 175.29 175.93 2c8m n TYR 30 N 3.12 0.72 0.00 0.91 9.36 -1.26 -0.42 117.16 129.59 2c8m n TYR 30 Ca -0.18 0.95 0.00 0.00 3.32 0.00 0.00 57.90 62.00 2c8m n TYR 30 Cb 0.53 -2.13 0.00 0.00 -0.63 0.00 0.00 39.34 37.11 2c8m n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2c8m n GLY 31 N 1.76 1.88 3.69 2.98 0.00 -1.26 -5.08 105.19 109.16 2c8m n GLY 31 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2c8m n GLY 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c8m s ASP 32 N -1.51 3.27 0.26 1.61 1.01 0.44 -4.95 116.67 116.81 2c8m s ASP 32 Ca 0.00 1.99 -0.30 0.00 0.71 0.00 0.00 52.55 54.95 2c8m s ASP 32 Cb 0.00 -2.51 -0.11 0.00 1.01 0.00 0.00 42.92 41.31 2c8m s ASP 32 CO 0.00 -2.85 1.58 -0.54 0.21 0.00 0.00 175.17 173.57 2c8m s LYS 33 N -4.73 4.16 0.63 8.23 1.02 -1.26 -4.73 119.74 123.06 2c8m s LYS 33 Ca 0.65 2.51 -0.18 0.00 0.02 0.00 0.00 55.97 58.97 2c8m s LYS 33 Cb -0.21 -3.06 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 2c8m s LYS 33 CO 0.58 -0.60 1.24 -1.25 -0.92 0.00 0.00 175.35 174.39 2c8m s PRO 34 N -0.16 2.71 -0.04 -1.68 0.04 -1.26 -4.62 135.00 129.98 2c8m s PRO 34 Ca 0.64 1.90 0.06 0.00 0.04 0.00 0.00 61.00 63.64 2c8m s PRO 34 Cb -0.47 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 2c8m s PRO 34 CO 0.44 -1.43 -0.23 0.42 0.04 0.00 0.00 177.00 176.24 2c8m s ILE 35 N -1.58 2.25 -0.15 0.56 1.01 0.17 -0.21 121.20 123.25 2c8m s ILE 35 Ca 0.79 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 60.44 2c8m s ILE 35 Cb -0.33 -1.82 0.01 0.00 0.01 0.00 0.00 42.46 40.34 2c8m s ILE 35 CO 0.37 0.58 -0.21 -0.22 0.00 0.00 0.00 174.94 175.46 2c8m s LEU 36 N -0.42 2.14 -0.07 2.97 2.96 -0.14 -1.67 118.68 124.45 2c8m s LEU 36 Ca 0.04 -0.60 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 2c8m s LEU 36 Cb -0.12 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.11 2c8m s LEU 36 CO 0.01 0.07 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.31 2c8m s ARG 37 N 0.88 2.32 -0.07 1.98 3.52 0.21 -0.89 118.95 126.90 2c8m s ARG 37 Ca -0.05 -0.71 0.01 0.00 -0.13 0.00 0.00 55.73 54.85 2c8m s ARG 37 Cb -0.15 -1.88 -0.03 0.00 -1.56 0.00 0.00 34.95 31.33 2c8m s ARG 37 CO -0.03 0.20 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.51 2c8m s PHE 38 N 0.23 2.89 0.06 5.12 0.08 -0.87 -0.73 117.98 124.77 2c8m s PHE 38 Ca -0.11 -0.05 -0.14 0.00 0.12 0.00 0.00 56.93 56.75 2c8m s PHE 38 Cb -0.15 -1.71 0.02 0.00 -0.57 0.00 0.00 43.02 40.61 2c8m s PHE 38 CO 0.05 0.27 0.33 1.52 -0.10 0.00 0.00 175.22 177.28 2c8m s TYR 39 N -0.70 -0.12 0.01 0.36 -0.85 0.02 -3.82 117.35 112.25 2c8m s TYR 39 Ca 0.11 -0.06 0.04 0.00 -0.52 0.00 0.00 57.07 56.64 2c8m s TYR 39 Cb -0.11 0.13 -0.02 0.00 0.38 0.00 0.00 41.96 42.34 2c8m s TYR 39 CO 0.01 -0.55 -0.13 1.03 -1.52 0.00 0.00 175.55 174.39 2c8m s ARG 40 N -2.89 0.97 0.00 -3.49 0.52 -1.26 -0.90 118.95 111.90 2c8m s ARG 40 Ca -0.03 -0.60 0.05 0.00 -0.52 0.00 0.00 55.73 54.64 2c8m s ARG 40 Cb 0.00 -0.95 -0.03 0.00 0.52 0.00 0.00 34.95 34.50 2c8m s ARG 40 CO -0.05 0.25 -0.15 -1.01 0.02 0.00 0.00 175.30 174.35 2c8m s HIS 41 N -0.57 2.64 1.03 -0.53 3.76 -1.26 -3.21 115.29 117.15 2c8m s HIS 41 Ca 0.03 -0.20 -0.15 0.00 -0.15 0.00 0.00 55.06 54.59 2c8m s HIS 41 Cb -0.06 -1.54 0.20 0.00 1.11 0.00 0.00 32.58 32.29 2c8m s HIS 41 CO 0.00 0.23 1.14 0.34 -0.85 0.00 0.00 174.74 175.61 2c8m s ASP 42 N -1.15 2.45 -0.46 1.40 -1.08 -0.44 -2.88 116.67 114.50 2c8m s ASP 42 Ca 0.14 0.83 -0.45 0.00 -0.52 0.00 0.00 52.55 52.55 2c8m s ASP 42 Cb -0.11 -1.26 -0.19 0.00 -1.46 0.00 0.00 42.92 39.90 2c8m s ASP 42 CO 0.04 -3.20 1.81 0.54 0.52 0.00 0.00 175.17 174.88 2c8m n ARG 43 N -4.17 0.20 -3.74 4.34 1.74 -1.24 -4.54 116.66 109.26 2c8m n ARG 43 Ca 0.09 0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 57.14 2c8m n ARG 43 Cb 0.59 -1.63 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 2c8m n ARG 43 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2c8m s SER 44 N 4.18 -0.23 -0.11 0.55 1.04 -0.06 -2.33 113.70 116.73 2c8m s SER 44 Ca 1.09 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 57.06 2c8m s SER 44 Cb -1.41 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 65.25 2c8m s SER 44 CO 0.74 -1.01 -0.19 0.68 0.98 0.00 0.00 173.24 174.44 2c8m s VAL 45 N -3.87 2.50 -0.22 5.02 -7.23 0.09 -0.61 120.40 116.08 2c8m s VAL 45 Ca 0.09 -0.86 -0.05 0.00 -1.81 0.00 0.00 61.98 59.35 2c8m s VAL 45 Cb -0.00 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 2c8m s VAL 45 CO -0.04 0.54 0.00 -0.63 -0.31 0.00 0.00 175.10 174.67 2c8m s ILE 46 N 0.34 3.83 0.18 -0.62 -1.09 -0.25 -1.26 121.20 122.33 2c8m s ILE 46 Ca -0.15 -0.34 0.05 0.00 -2.23 0.00 0.00 60.65 57.97 2c8m s ILE 46 Cb -0.17 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 2c8m s ILE 46 CO 0.08 0.40 0.19 0.27 -1.23 0.00 0.00 174.94 174.64 2c8m s ILE 47 N 1.36 4.69 0.72 2.92 -4.36 0.33 -1.88 121.20 124.98 2c8m s ILE 47 Ca 0.05 -1.05 -0.11 0.00 -0.26 0.00 0.00 60.65 59.27 2c8m s ILE 47 Cb -0.15 -3.43 0.02 0.00 1.25 0.00 0.00 42.46 40.16 2c8m s ILE 47 CO 0.00 -0.16 1.08 -0.83 0.24 0.00 0.00 174.94 175.28 2c8m s GLY 48 N -3.29 1.64 0.33 6.27 0.00 -1.25 -1.73 107.32 109.29 2c8m s GLY 48 Ca 0.32 -0.19 0.09 0.00 0.00 0.00 0.00 44.72 44.94 2c8m s GLY 48 CO 0.25 0.17 1.78 -1.82 0.00 0.00 0.00 173.10 173.48 2c8m h TYR 49 N -0.75 0.97 -0.26 1.90 3.20 -0.27 -1.35 116.97 120.41 2c8m h TYR 49 Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2c8m h TYR 49 Cb 1.24 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.22 2c8m h TYR 49 CO 0.53 0.20 0.00 1.19 -1.64 0.00 0.00 178.16 178.44 2c8m n PHE 50 N -4.73 0.33 -3.16 -3.82 3.72 -1.26 -4.99 117.46 103.56 2c8m n PHE 50 Ca 0.23 -0.17 -0.35 0.00 -0.05 0.00 0.00 57.45 57.12 2c8m n PHE 50 Cb 0.63 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.10 2c8m n PHE 50 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2c8m s GLN 51 N -1.67 4.12 -0.37 -1.08 -0.21 -0.51 -5.04 119.66 114.91 2c8m s GLN 51 Ca 0.35 0.73 -0.22 0.00 0.02 0.00 0.00 55.36 56.24 2c8m s GLN 51 Cb 0.20 -2.74 0.01 0.00 1.00 0.00 0.00 33.01 31.47 2c8m s GLN 51 CO 0.28 0.33 0.73 0.08 -2.12 0.00 0.00 175.29 174.59 2c8m s VAL 52 N -1.67 4.79 0.14 1.09 1.01 -1.26 -4.93 120.40 119.57 2c8m s VAL 52 Ca 0.46 0.75 -0.23 0.00 0.00 0.00 0.00 61.98 62.95 2c8m s VAL 52 Cb -0.14 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.08 2c8m s VAL 52 CO 0.20 -0.41 1.64 0.00 0.00 0.00 0.00 175.10 176.53 2c8m h ALA 53 N 8.50 -0.15 0.00 5.51 0.00 -1.89 -0.61 119.26 130.61 2c8m h ALA 53 Ca -0.25 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2c8m h ALA 53 Cb 1.10 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2c8m h ALA 53 CO 0.89 -0.67 0.00 1.05 0.00 0.00 0.00 179.25 180.52 2c8m h GLU 54 N -0.26 0.00 -0.00 0.00 4.11 -1.94 -0.45 114.58 116.05 2c8m h GLU 54 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.55 2c8m h GLU 54 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2c8m h GLU 54 CO -0.33 0.00 -0.49 0.39 0.07 0.00 0.00 179.01 178.65 2c8m n GLU 55 N -2.80 0.01 -0.04 1.06 1.02 -0.26 -4.35 120.64 115.28 2c8m n GLU 55 Ca -0.01 -0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 57.09 2c8m n GLU 55 Cb 0.13 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.99 2c8m n GLU 55 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2c8m n GLU 56 N -1.49 2.79 -3.97 3.49 -0.58 -0.24 -4.86 120.64 115.77 2c8m n GLU 56 Ca 0.06 -0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.68 2c8m n GLU 56 Cb 0.34 -1.19 -0.12 0.00 -0.57 0.00 0.00 31.44 29.90 2c8m n GLU 56 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2c8m s VAL 57 N -2.18 0.16 -0.79 2.62 -7.23 -0.79 -1.23 120.40 110.97 2c8m s VAL 57 Ca -0.04 -0.60 -0.26 0.00 -1.81 0.00 0.00 61.98 59.28 2c8m s VAL 57 Cb 0.02 -0.24 0.03 0.00 0.56 0.00 0.00 36.38 36.75 2c8m s VAL 57 CO 0.30 -0.28 1.40 -0.62 -0.31 0.00 0.00 175.10 175.59 2c8m s ASP 58 N -0.92 6.10 0.24 4.85 -1.08 0.25 -4.61 116.67 121.50 2c8m s ASP 58 Ca -0.09 -0.59 0.02 0.00 -0.52 0.00 0.00 52.55 51.37 2c8m s ASP 58 Cb -0.06 -2.56 0.26 0.00 -1.46 0.00 0.00 42.92 39.10 2c8m s ASP 58 CO -0.00 -1.86 1.59 -0.07 0.52 0.00 0.00 175.17 175.35 2c8m h LEU 59 N 13.51 0.42 0.25 -1.34 3.38 -1.91 -1.72 115.31 127.90 2c8m h LEU 59 Ca -0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2c8m h LEU 59 Cb 1.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2c8m h LEU 59 CO 1.30 0.85 -0.12 -0.78 0.09 0.00 0.00 178.44 179.78 2c8m h ASP 60 N 0.31 -0.29 -0.92 -0.43 1.82 -2.00 -1.35 116.42 113.56 2c8m h ASP 60 Ca 0.01 -0.15 0.14 0.00 -0.39 0.00 0.00 57.03 56.64 2c8m h ASP 60 Cb 0.99 0.07 -0.07 0.00 0.68 0.00 0.00 39.33 41.00 2c8m h ASP 60 CO 0.09 -0.01 0.59 0.22 -1.61 0.00 0.00 179.24 178.52 2c8m h TYR 61 N -0.58 0.91 0.20 0.28 3.20 -1.94 -0.79 116.97 118.24 2c8m h TYR 61 Ca -0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2c8m h TYR 61 Cb 0.42 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2c8m h TYR 61 CO 0.00 0.34 -0.10 0.52 -1.64 0.00 0.00 178.16 177.29 2c8m h MET 62 N 0.77 -0.26 -0.81 1.82 2.86 -1.04 -1.53 114.93 116.74 2c8m h MET 62 Ca 0.46 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 58.15 2c8m h MET 62 Cb 0.65 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.32 2c8m h MET 62 CO -0.22 -0.10 0.52 0.87 1.06 0.00 0.00 176.91 179.04 2c8m h LYS 63 N -0.37 0.97 0.00 1.72 6.56 -0.66 -1.41 116.57 123.38 2c8m h LYS 63 Ca -0.03 -0.06 -0.03 0.00 -1.06 0.00 0.00 60.65 59.48 2c8m h LYS 63 Cb 0.29 -0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 31.72 2c8m h LYS 63 CO 0.05 0.64 -0.13 1.57 -2.06 0.00 0.00 179.45 179.52 2c8m h LYS 64 N 1.00 0.00 -0.36 3.15 2.10 -0.96 -2.84 116.57 118.67 2c8m h LYS 64 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 2c8m h LYS 64 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2c8m h LYS 64 CO -0.12 0.13 0.00 0.09 -2.00 0.00 0.00 179.45 177.55 2c8m n ASN 65 N -3.70 3.19 -2.52 7.07 3.02 -0.59 -4.97 115.26 116.76 2c8m n ASN 65 Ca -0.02 -2.19 -0.19 0.00 -0.03 0.00 0.00 54.58 52.15 2c8m n ASN 65 Cb 0.24 -0.31 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 2c8m n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c8m n GLY 66 N 0.40 -0.34 3.69 7.41 0.00 -0.65 -4.98 105.19 110.71 2c8m n GLY 66 Ca 0.14 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2c8m n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c8m s ILE 67 N -3.06 5.25 0.12 -0.61 1.01 -0.62 -4.84 121.20 118.44 2c8m s ILE 67 Ca 0.22 0.60 -0.28 0.00 0.00 0.00 0.00 60.65 61.19 2c8m s ILE 67 Cb -0.10 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 2c8m s ILE 67 CO 0.28 0.31 0.90 -0.32 0.00 0.00 0.00 174.94 176.10 2c8m s MET 68 N 0.97 4.66 -0.01 2.79 -2.45 -0.98 -4.52 119.30 119.75 2c8m s MET 68 Ca 0.17 1.34 -0.21 0.00 -1.25 0.00 0.00 55.69 55.74 2c8m s MET 68 Cb -0.14 -3.35 -0.05 0.00 1.25 0.00 0.00 34.83 32.54 2c8m s MET 68 CO 0.06 0.30 0.60 -1.17 1.05 0.00 0.00 175.02 175.86 2c8m s LEU 69 N -0.25 4.40 -0.08 4.11 2.96 -1.26 -0.73 118.68 127.82 2c8m s LEU 69 Ca 0.43 1.16 -0.07 0.00 -0.22 0.00 0.00 54.13 55.43 2c8m s LEU 69 Cb -0.23 -2.94 0.03 0.00 0.50 0.00 0.00 46.19 43.55 2c8m s LEU 69 CO 0.28 0.08 0.22 0.00 -1.32 0.00 0.00 176.35 175.60 2c8m s ALA 70 N -0.07 -0.52 -0.22 5.97 0.00 -0.39 -4.93 121.76 121.60 2c8m s ALA 70 Ca 0.32 0.69 -0.08 0.00 0.00 0.00 0.00 51.96 52.88 2c8m s ALA 70 Cb -0.18 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 2c8m s ALA 70 CO 0.17 -0.12 0.09 0.50 0.00 0.00 0.00 175.76 176.40 2c8m s ARG 71 N 0.39 3.90 0.73 0.00 3.52 -1.26 -0.52 118.95 125.71 2c8m s ARG 71 Ca -0.02 -0.37 -0.05 0.00 -0.13 0.00 0.00 55.73 55.16 2c8m s ARG 71 Cb -0.04 -3.33 0.10 0.00 -1.56 0.00 0.00 34.95 30.13 2c8m s ARG 71 CO -0.02 0.08 1.03 -0.98 -0.81 0.00 0.00 175.30 174.60 2c8m s ARG 72 N 0.93 1.81 0.26 5.12 1.70 -0.70 -4.93 118.95 123.13 2c8m s ARG 72 Ca 0.05 -0.64 0.05 0.00 -0.47 0.00 0.00 55.73 54.72 2c8m s ARG 72 Cb -0.14 -2.21 0.32 0.00 -0.57 0.00 0.00 34.95 32.35 2c8m s ARG 72 CO 0.03 -1.43 1.61 -0.92 -1.08 0.00 0.00 175.30 173.51 2c8m h TYR 73 N -0.66 0.31 -3.20 5.89 3.20 -1.89 -3.27 116.97 117.36 2c8m h TYR 73 Ca -0.41 -0.10 -0.47 0.00 3.14 0.00 0.00 58.73 60.88 2c8m h TYR 73 Cb 1.28 -0.06 0.04 0.00 1.54 0.00 0.00 36.73 39.53 2c8m h TYR 73 CO -0.09 0.73 0.03 0.95 -1.64 0.00 0.00 178.16 178.14 2c8m s THR 74 N -3.92 3.95 0.00 1.81 -4.23 -1.26 -4.66 115.64 107.34 2c8m s THR 74 Ca -0.04 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 2c8m s THR 74 Cb 0.12 -3.51 0.00 0.00 1.34 0.00 0.00 72.50 70.46 2c8m s THR 74 CO 0.79 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 2c8m n GLY 75 N -2.30 -1.55 0.85 3.99 0.00 -1.26 0.24 105.19 105.16 2c8m n GLY 75 Ca 0.03 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2c8m n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c8m n GLY 76 N 3.86 -1.73 1.70 -0.02 0.00 -1.26 -4.57 105.19 103.17 2c8m n GLY 76 Ca 0.00 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 2c8m n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c8m n GLY 77 N 0.00 2.01 3.81 -0.02 0.00 -1.26 -3.75 105.19 105.98 2c8m n GLY 77 Ca 0.00 -2.18 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 2c8m n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c8m s ALA 78 N -2.31 3.62 0.03 4.61 0.00 -1.26 -3.95 121.76 122.50 2c8m s ALA 78 Ca 0.26 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.13 2c8m s ALA 78 Cb -0.02 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 2c8m s ALA 78 CO 0.16 0.39 -0.05 0.14 0.00 0.00 0.00 175.76 176.40 2c8m s VAL 79 N -0.89 0.29 -0.18 0.00 -7.23 -0.79 -4.98 120.40 106.63 2c8m s VAL 79 Ca 0.27 -0.98 -0.09 0.00 -1.81 0.00 0.00 61.98 59.37 2c8m s VAL 79 Cb -0.18 -0.41 -0.05 0.00 0.56 0.00 0.00 36.38 36.31 2c8m s VAL 79 CO 0.16 -0.45 0.12 -0.47 -0.31 0.00 0.00 175.10 174.15 2c8m s TYR 80 N -1.42 3.42 0.05 2.82 5.04 -1.26 -1.09 117.35 124.91 2c8m s TYR 80 Ca -0.13 0.34 0.08 0.00 -2.44 0.00 0.00 57.07 54.91 2c8m s TYR 80 Cb -0.10 -2.09 -0.03 0.00 0.35 0.00 0.00 41.96 40.09 2c8m s TYR 80 CO -0.00 0.38 -0.22 -1.01 -1.34 0.00 0.00 175.55 173.35 2c8m s HIS 81 N 0.02 2.44 0.13 4.97 3.76 0.22 -4.98 115.29 121.85 2c8m s HIS 81 Ca 0.09 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.68 2c8m s HIS 81 Cb -0.11 -1.42 -0.00 0.00 1.11 0.00 0.00 32.58 32.16 2c8m s HIS 81 CO -0.00 0.21 0.15 -0.40 -0.85 0.00 0.00 174.74 173.84 2c8m n ASP 82 N 1.59 -0.41 0.00 1.40 5.68 -1.24 -0.88 116.55 122.70 2c8m n ASP 82 Ca -0.17 -1.75 0.05 0.00 -0.50 0.00 0.00 54.79 52.43 2c8m n ASP 82 Cb 0.52 0.81 0.25 0.00 -1.14 0.00 0.00 41.12 41.57 2c8m n ASP 82 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2c8m n LEU 83 N 0.00 0.00 -0.18 -2.12 4.77 -1.14 -0.76 117.00 117.57 2c8m n LEU 83 Ca 0.01 0.39 0.14 0.00 -0.03 0.00 0.00 56.01 56.53 2c8m n LEU 83 Cb 0.22 -0.39 0.65 0.00 -2.33 0.00 0.00 43.42 41.57 2c8m n LEU 83 CO 0.11 -0.25 0.91 0.61 -1.33 0.00 0.00 177.39 177.44 2c8m n GLY 84 N -0.37 -0.74 3.56 -0.72 0.00 -1.26 -4.80 105.19 100.86 2c8m n GLY 84 Ca 0.04 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 2c8m n GLY 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2c8m s ASP 85 N -2.28 5.25 -0.23 1.61 -1.08 0.06 -0.45 116.67 119.55 2c8m s ASP 85 Ca 0.34 -0.03 -0.08 0.00 -0.52 0.00 0.00 52.55 52.27 2c8m s ASP 85 Cb 0.21 -1.89 -0.03 0.00 -1.46 0.00 0.00 42.92 39.74 2c8m s ASP 85 CO 0.43 0.16 0.08 -0.22 0.52 0.00 0.00 175.17 176.13 2c8m s LEU 86 N 0.46 3.60 0.13 -1.34 2.96 -0.45 -4.50 118.68 119.54 2c8m s LEU 86 Ca 0.00 -0.11 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 2c8m s LEU 86 Cb -0.13 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2c8m s LEU 86 CO 0.02 0.02 0.08 0.20 -1.32 0.00 0.00 176.35 175.35 2c8m s ASN 87 N 1.28 5.35 -0.03 3.68 0.01 -0.08 -1.01 114.94 124.15 2c8m s ASN 87 Ca 0.05 -0.14 -0.20 0.00 -0.71 0.00 0.00 52.86 51.86 2c8m s ASN 87 Cb -0.15 -1.36 0.04 0.00 0.41 0.00 0.00 41.25 40.19 2c8m s ASN 87 CO 0.04 0.11 0.42 0.72 -1.51 0.00 0.00 177.10 176.89 2c8m s PHE 88 N -1.59 -0.33 0.04 2.20 -0.12 -0.46 -0.80 117.98 116.93 2c8m s PHE 88 Ca 0.29 0.54 0.03 0.00 -0.05 0.00 0.00 56.93 57.74 2c8m s PHE 88 Cb -0.11 0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.45 2c8m s PHE 88 CO 0.22 -0.45 -0.09 -1.54 -0.05 0.00 0.00 175.22 173.31 2c8m s SER 89 N -1.27 0.97 -0.08 1.98 1.04 0.09 0.06 113.70 116.49 2c8m s SER 89 Ca -0.13 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.84 2c8m s SER 89 Cb -0.04 -0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.10 2c8m s SER 89 CO 0.06 -0.13 -0.09 -0.69 0.98 0.00 0.00 173.24 173.37 2c8m s VAL 90 N -1.13 0.99 -0.10 5.02 1.01 -0.67 -0.62 120.40 124.91 2c8m s VAL 90 Ca -0.06 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.61 2c8m s VAL 90 Cb -0.09 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.33 2c8m s VAL 90 CO 0.01 0.34 -0.22 -0.69 0.00 0.00 0.00 175.10 174.53 2c8m s VAL 91 N 1.14 1.93 0.05 2.92 1.01 -0.67 -1.85 120.40 124.93 2c8m s VAL 91 Ca -0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 2c8m s VAL 91 Cb -0.14 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 2c8m s VAL 91 CO -0.02 0.53 0.02 -0.13 0.00 0.00 0.00 175.10 175.51 2c8m s ARG 92 N 0.43 0.58 0.57 2.72 0.52 -1.06 -0.66 118.95 122.06 2c8m s ARG 92 Ca -0.17 -0.99 -0.20 0.00 -0.52 0.00 0.00 55.73 53.85 2c8m s ARG 92 Cb -0.17 0.21 -0.04 0.00 0.52 0.00 0.00 34.95 35.46 2c8m s ARG 92 CO 0.07 -0.13 1.22 0.43 0.02 0.00 0.00 175.30 176.91 2c8m n SER 93 N 0.47 1.95 -3.95 0.23 7.64 -1.26 -1.56 113.62 117.15 2c8m n SER 93 Ca -0.17 0.91 -0.18 0.00 1.01 0.00 0.00 58.87 60.44 2c8m n SER 93 Cb 0.60 -1.51 -0.15 0.00 -1.01 0.00 0.00 64.21 62.14 2c8m n SER 93 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2c8m s SER 94 N -1.08 0.83 -0.04 6.43 0.15 -0.23 -4.68 113.70 115.08 2c8m s SER 94 Ca 0.74 -0.12 0.12 0.00 0.70 0.00 0.00 55.95 57.39 2c8m s SER 94 Cb -0.42 -0.23 0.34 0.00 -1.71 0.00 0.00 66.02 64.01 2c8m s SER 94 CO 0.47 0.03 1.28 0.47 1.20 0.00 0.00 173.24 176.69 2c8m n ASP 95 N 3.37 3.10 -3.40 5.45 8.00 -1.26 -3.52 116.55 128.30 2c8m n ASP 95 Ca -0.18 -2.21 -0.06 0.00 0.71 0.00 0.00 54.79 53.05 2c8m n ASP 95 Cb 0.55 -0.29 0.01 0.00 -0.02 0.00 0.00 41.12 41.36 2c8m n ASP 95 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2c8m s ASP 96 N -1.20 -0.08 -0.39 -2.24 1.47 -1.26 -5.05 116.67 107.93 2c8m s ASP 96 Ca 0.27 -0.75 0.05 0.00 1.18 0.00 0.00 52.55 53.30 2c8m s ASP 96 Cb 0.16 0.64 0.47 0.00 -0.34 0.00 0.00 42.92 43.85 2c8m s ASP 96 CO 0.14 -1.24 1.47 0.23 0.68 0.00 0.00 175.17 176.45 2c8m n MET 97 N -0.56 2.98 -3.06 2.11 2.81 -1.26 -4.92 117.12 115.22 2c8m n MET 97 Ca -0.06 -3.73 -0.45 0.00 -1.81 0.00 0.00 57.70 51.66 2c8m n MET 97 Cb 0.60 -2.18 -0.01 0.00 -0.71 0.00 0.00 33.22 30.92 2c8m n MET 97 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2c8m s ASP 98 N -2.91 6.93 0.25 7.83 2.15 -1.26 -4.83 116.67 124.82 2c8m s ASP 98 Ca 0.53 -2.74 0.08 0.00 0.43 0.00 0.00 52.55 50.85 2c8m s ASP 98 Cb 0.44 -2.34 0.26 0.00 -0.30 0.00 0.00 42.92 40.98 2c8m s ASP 98 CO 0.02 -0.75 1.56 -0.29 -0.17 0.00 0.00 175.17 175.53 2c8m h ILE 99 N 4.90 1.46 -0.59 4.11 2.10 -2.00 -3.05 117.51 124.43 2c8m h ILE 99 Ca 0.21 -2.22 0.08 0.00 1.08 0.00 0.00 64.86 64.01 2c8m h ILE 99 Cb 0.95 2.19 -0.06 0.00 -1.09 0.00 0.00 36.82 38.80 2c8m h ILE 99 CO 1.09 0.64 0.26 0.74 -1.08 0.00 0.00 178.15 179.80 2c8m h THR 100 N 0.05 0.85 -0.36 2.19 2.02 -2.00 -1.71 112.91 113.95 2c8m h THR 100 Ca -0.01 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 2c8m h THR 100 Cb 1.18 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2c8m h THR 100 CO 0.09 0.09 -0.06 0.28 0.37 0.00 0.00 175.52 176.29 2c8m h SER 101 N 0.48 0.57 -0.28 4.18 0.02 -1.95 -1.70 113.55 114.87 2c8m h SER 101 Ca 0.28 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2c8m h SER 101 Cb 0.29 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2c8m h SER 101 CO -0.25 0.69 0.17 -0.03 -1.14 0.00 0.00 176.83 176.26 2c8m h MET 102 N 0.56 0.38 -0.67 3.45 -1.53 -1.31 -0.31 114.93 115.50 2c8m h MET 102 Ca 0.11 -0.04 -0.06 0.00 -3.44 0.00 0.00 59.70 56.27 2c8m h MET 102 Cb 0.45 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.39 2c8m h MET 102 CO 0.02 0.30 0.17 0.74 0.14 0.00 0.00 176.91 178.29 2c8m h PHE 103 N 0.35 1.08 -0.60 1.39 0.04 -1.00 -0.24 116.94 117.96 2c8m h PHE 103 Ca 0.10 -0.11 -0.10 0.00 2.80 0.00 0.00 57.97 60.66 2c8m h PHE 103 Cb 0.02 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 2c8m h PHE 103 CO -0.04 0.88 -0.00 0.00 -0.60 0.00 0.00 178.31 178.55 2c8m h ARG 104 N 1.00 1.06 -0.02 1.51 3.08 -1.21 -1.81 114.38 117.98 2c8m h ARG 104 Ca 0.21 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2c8m h ARG 104 Cb 0.33 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 2c8m h ARG 104 CO -0.00 1.03 -0.01 1.15 -1.07 0.00 0.00 179.97 181.07 2c8m h THR 105 N 0.96 1.34 -0.69 2.04 2.02 -0.45 -2.08 112.91 116.05 2c8m h THR 105 Ca 0.17 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 2c8m h THR 105 Cb 0.55 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 2c8m h THR 105 CO 0.03 0.27 0.32 0.24 0.37 0.00 0.00 175.52 176.75 2c8m h MET 106 N -0.36 0.99 -0.59 6.66 2.86 -1.12 -2.44 114.93 120.93 2c8m h MET 106 Ca 0.01 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.44 2c8m h MET 106 Cb 0.44 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 2c8m h MET 106 CO 0.00 0.77 0.09 -0.91 1.06 0.00 0.00 176.91 177.93 2c8m h ASN 107 N 0.98 0.91 -0.42 1.22 2.35 -1.25 -1.00 115.58 118.36 2c8m h ASN 107 Ca 0.24 -0.20 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 2c8m h ASN 107 Cb 0.12 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 2c8m h ASN 107 CO -0.03 0.91 0.02 -0.08 -1.65 0.00 0.00 177.43 176.60 2c8m h GLU 108 N 0.90 0.81 -0.82 0.81 4.81 -1.11 0.22 114.58 120.21 2c8m h GLU 108 Ca 0.18 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2c8m h GLU 108 Cb 0.40 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 2c8m h GLU 108 CO 0.01 0.80 0.44 0.00 -0.73 0.00 0.00 179.01 179.53 2c8m h ALA 109 N 1.26 1.05 -0.24 2.92 0.00 -0.94 -0.63 119.26 122.69 2c8m h ALA 109 Ca 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2c8m h ALA 109 Cb 0.43 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2c8m h ALA 109 CO 0.02 0.57 -0.02 0.28 0.00 0.00 0.00 179.25 180.10 2c8m h VAL 110 N 1.14 1.27 -0.46 0.00 2.07 -0.63 -1.17 116.25 118.47 2c8m h VAL 110 Ca 0.29 -0.96 0.08 0.00 0.82 0.00 0.00 66.70 66.92 2c8m h VAL 110 Cb 0.05 1.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 2c8m h VAL 110 CO -0.04 0.30 0.08 0.58 0.02 0.00 0.00 177.57 178.51 2c8m h VAL 111 N 0.19 0.73 -0.76 2.57 2.07 -0.76 -0.92 116.25 119.39 2c8m h VAL 111 Ca 0.06 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2c8m h VAL 111 Cb 0.45 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2c8m h VAL 111 CO 0.02 0.04 0.43 0.78 0.02 0.00 0.00 177.57 178.85 2c8m h ASN 112 N 0.21 0.94 -0.51 0.57 2.35 -0.97 -1.54 115.58 116.63 2c8m h ASN 112 Ca 0.23 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2c8m h ASN 112 Cb 0.30 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2c8m h ASN 112 CO -0.31 0.76 0.25 0.28 -1.65 0.00 0.00 177.43 176.76 2c8m h SER 113 N 1.05 0.65 0.87 5.81 0.02 -0.77 -3.15 113.55 118.02 2c8m h SER 113 Ca 0.27 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.98 2c8m h SER 113 Cb 0.02 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 2c8m h SER 113 CO -0.04 0.59 -0.58 -0.07 -1.14 0.00 0.00 176.83 175.59 2c8m h LEU 114 N 0.67 0.00 -0.94 5.07 3.38 -0.92 -2.36 115.31 120.22 2c8m h LEU 114 Ca 0.18 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.26 2c8m h LEU 114 Cb 0.10 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 2c8m h LEU 114 CO -0.02 0.58 0.57 -0.09 0.09 0.00 0.00 178.44 179.56 2c8m h ARG 115 N 0.00 0.86 -0.74 1.13 2.43 -1.12 -0.51 114.38 116.43 2c8m h ARG 115 Ca -0.01 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.20 2c8m h ARG 115 Cb 1.17 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.47 2c8m h ARG 115 CO 0.07 0.57 0.49 0.82 -1.51 0.00 0.00 179.97 180.41 2c8m h ILE 116 N 0.89 0.96 -0.00 1.20 2.04 -1.40 -0.27 117.51 120.92 2c8m h ILE 116 Ca 0.47 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 66.10 2c8m h ILE 116 Cb 0.49 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2c8m h ILE 116 CO -0.28 0.12 -0.03 0.18 0.00 0.00 0.00 178.15 178.15 2c8m n LEU 117 N -4.49 0.32 0.00 1.44 4.77 -0.69 -4.89 117.00 113.46 2c8m n LEU 117 Ca 0.12 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2c8m n LEU 117 Cb 0.31 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2c8m n LEU 117 CO 0.33 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2c8m n GLY 118 N 1.15 0.46 3.42 -0.72 0.00 -0.11 -4.95 105.19 104.44 2c8m n GLY 118 Ca 0.19 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 2c8m n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2c8m s LEU 119 N 0.00 3.08 -0.30 0.99 2.96 -0.29 -4.99 118.68 120.14 2c8m s LEU 119 Ca 0.00 -0.24 -0.16 0.00 -0.22 0.00 0.00 54.13 53.50 2c8m s LEU 119 Cb 0.00 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 2c8m s LEU 119 CO 0.00 0.09 0.44 -0.62 -1.32 0.00 0.00 176.35 174.94 2c8m s ASP 120 N 0.81 6.29 0.04 3.68 -1.08 -1.26 -2.81 116.67 122.33 2c8m s ASP 120 Ca -0.01 0.18 -0.06 0.00 -0.52 0.00 0.00 52.55 52.14 2c8m s ASP 120 Cb -0.15 -2.24 -0.01 0.00 -1.46 0.00 0.00 42.92 39.07 2c8m s ASP 120 CO 0.02 -0.30 0.10 0.00 0.52 0.00 0.00 175.17 175.50 2c8m s ALA 121 N 2.19 -0.08 -0.02 3.66 0.00 -1.26 -4.29 121.76 121.97 2c8m s ALA 121 Ca 0.17 -0.54 -0.08 0.00 0.00 0.00 0.00 51.96 51.50 2c8m s ALA 121 Cb -0.16 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.22 2c8m s ALA 121 CO 0.11 -0.32 0.18 1.03 0.00 0.00 0.00 175.76 176.76 2c8m s ARG 122 N -2.62 0.46 0.31 0.00 0.52 0.10 -4.72 118.95 113.00 2c8m s ARG 122 Ca -0.05 -0.22 -0.29 0.00 -0.52 0.00 0.00 55.73 54.65 2c8m s ARG 122 Cb -0.01 0.20 -0.12 0.00 0.52 0.00 0.00 34.95 35.54 2c8m s ARG 122 CO -0.05 -0.11 1.49 -0.35 0.02 0.00 0.00 175.30 176.30 2c8m n PRO 123 N 1.74 2.49 -0.72 3.54 -0.04 -1.26 -1.12 135.00 139.62 2c8m n PRO 123 Ca -0.20 0.88 -0.32 0.00 -0.04 0.00 0.00 63.50 63.82 2c8m n PRO 123 Cb 0.56 -2.60 0.15 0.00 -0.04 0.00 0.00 33.50 31.58 2c8m n PRO 123 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c8m n GLY 124 N 1.49 -1.77 0.01 0.55 0.00 -0.39 -4.87 105.19 100.20 2c8m n GLY 124 Ca 0.07 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.37 2c8m n GLY 124 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2c8m n GLU 125 N -2.56 0.88 -3.39 1.61 0.28 -0.73 -3.63 120.64 113.10 2c8m n GLU 125 Ca 0.06 -0.10 -0.35 0.00 -0.16 0.00 0.00 57.16 56.61 2c8m n GLU 125 Cb 0.55 -1.30 -0.06 0.00 1.43 0.00 0.00 31.44 32.06 2c8m n GLU 125 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2c8m s LEU 126 N -3.69 4.31 0.27 -1.84 1.43 0.18 -4.80 118.68 114.54 2c8m s LEU 126 Ca -0.03 1.02 0.21 0.00 -1.03 0.00 0.00 54.13 54.31 2c8m s LEU 126 Cb 0.10 -3.30 0.10 0.00 0.03 0.00 0.00 46.19 43.12 2c8m s LEU 126 CO 0.60 0.08 1.24 0.78 0.23 0.00 0.00 176.35 179.28 2c8m h ASN 127 N 3.42 0.00 -2.58 2.29 2.35 -1.96 -2.66 115.58 116.46 2c8m h ASN 127 Ca -0.48 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 54.73 2c8m h ASN 127 Cb 1.19 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.57 2c8m h ASN 127 CO 0.66 0.12 1.09 -0.62 -1.65 0.00 0.00 177.43 177.03 2c8m s ASP 128 N -5.79 6.57 0.00 5.81 -1.08 -1.26 -4.90 116.67 116.02 2c8m s ASP 128 Ca 0.02 2.48 0.27 0.00 -0.52 0.00 0.00 52.55 54.81 2c8m s ASP 128 Cb 0.08 -2.55 0.94 0.00 -1.46 0.00 0.00 42.92 39.93 2c8m s ASP 128 CO 0.75 -0.95 1.68 1.33 0.52 0.00 0.00 175.17 178.50 2c8m n VAL 129 N 5.14 0.00 0.88 1.11 0.24 -1.26 -3.98 118.33 120.46 2c8m n VAL 129 Ca 0.17 -0.25 0.09 0.00 -2.04 0.00 0.00 64.34 62.32 2c8m n VAL 129 Cb 0.41 0.55 -0.03 0.00 -1.47 0.00 0.00 33.84 33.30 2c8m n VAL 129 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2c8m n SER 130 N 0.11 1.58 -4.83 -1.34 3.41 -1.26 -4.91 113.62 106.37 2c8m n SER 130 Ca 0.17 -1.29 -0.33 0.00 -0.26 0.00 0.00 58.87 57.17 2c8m n SER 130 Cb 0.37 0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 64.89 2c8m n SER 130 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2c8m s ILE 131 N -2.39 4.52 0.27 -1.33 -4.36 -1.26 -4.99 121.20 111.67 2c8m s ILE 131 Ca 0.14 1.25 -0.00 0.00 -0.26 0.00 0.00 60.65 61.77 2c8m s ILE 131 Cb 0.15 -3.63 0.10 0.00 1.25 0.00 0.00 42.46 40.34 2c8m s ILE 131 CO 0.58 -0.22 1.75 1.55 0.24 0.00 0.00 174.94 178.84 2c8m h PRO 132 N 2.16 0.68 -4.31 0.37 0.13 -1.94 -3.46 132.00 125.64 2c8m h PRO 132 Ca -0.48 -0.20 -0.18 0.00 -0.87 0.00 0.00 66.00 64.26 2c8m h PRO 132 Cb 1.18 -0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.10 2c8m h PRO 132 CO 0.63 0.75 -0.51 0.14 -0.23 0.00 0.00 178.00 178.79 2c8m s VAL 133 N -4.82 0.03 -1.03 1.56 -7.23 -1.26 -4.91 120.40 102.73 2c8m s VAL 133 Ca -0.09 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 2c8m s VAL 133 Cb 0.14 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.82 2c8m s VAL 133 CO 0.80 -0.15 0.00 -3.20 -0.31 0.00 0.00 175.10 172.25 2c8m n ASN 134 N -0.24 -4.06 -4.88 4.85 5.15 -1.26 -4.97 115.26 109.85 2c8m n ASN 134 Ca -0.02 0.20 -0.30 0.00 -0.60 0.00 0.00 54.58 53.87 2c8m n ASN 134 Cb 0.64 -2.60 -0.00 0.00 -0.53 0.00 0.00 39.78 37.29 2c8m n ASN 134 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2c8m s LYS 135 N -3.14 3.63 0.17 1.20 1.02 -1.26 -0.65 119.74 120.72 2c8m s LYS 135 Ca 0.00 0.58 0.16 0.00 0.02 0.00 0.00 55.97 56.73 2c8m s LYS 135 Cb 0.00 -2.20 0.74 0.00 -0.52 0.00 0.00 37.83 35.85 2c8m s LYS 135 CO 0.00 -0.39 1.48 1.63 -0.92 0.00 0.00 175.35 177.16 2c8m n LYS 136 N -2.36 0.10 0.00 1.68 5.02 -1.00 -1.45 118.16 120.14 2c8m n LYS 136 Ca 0.04 0.48 0.11 0.00 -2.02 0.00 0.00 58.31 56.92 2c8m n LYS 136 Cb 0.54 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 2c8m n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2c8m n THR 137 N -1.93 0.00 -3.17 -0.18 -2.24 -1.26 -4.60 114.28 100.89 2c8m n THR 137 Ca 0.01 -0.06 -0.31 0.00 -2.27 0.00 0.00 64.05 61.42 2c8m n THR 137 Cb 0.10 0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 69.15 2c8m n THR 137 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2c8m s ASP 138 N -2.87 6.59 -0.14 3.42 1.01 -0.53 -2.39 116.67 121.76 2c8m s ASP 138 Ca 0.12 1.03 -0.01 0.00 0.71 0.00 0.00 52.55 54.39 2c8m s ASP 138 Cb 0.17 -2.27 -0.02 0.00 1.01 0.00 0.00 42.92 41.81 2c8m s ASP 138 CO 0.76 -0.22 -0.09 -0.63 0.21 0.00 0.00 175.17 175.19 2c8m s ILE 139 N -2.07 3.39 -0.09 0.77 -1.09 -0.35 -1.26 121.20 120.50 2c8m s ILE 139 Ca 0.49 -0.54 0.04 0.00 -2.23 0.00 0.00 60.65 58.41 2c8m s ILE 139 Cb -0.11 -2.45 0.00 0.00 -1.58 0.00 0.00 42.46 38.33 2c8m s ILE 139 CO 0.25 0.52 -0.22 -0.04 -1.23 0.00 0.00 174.94 174.21 2c8m s MET 140 N 0.28 2.82 -0.75 2.79 -1.94 -0.28 -1.95 119.30 120.28 2c8m s MET 140 Ca -0.07 -0.81 -0.17 0.00 -1.71 0.00 0.00 55.69 52.93 2c8m s MET 140 Cb -0.15 -2.15 0.15 0.00 2.01 0.00 0.00 34.83 34.69 2c8m s MET 140 CO 0.04 0.16 0.82 0.00 -0.01 0.00 0.00 175.02 176.03 2c8m s ALA 141 N 0.38 3.64 0.00 3.03 0.00 0.66 -0.72 121.76 128.75 2c8m s ALA 141 Ca -0.18 -2.75 0.00 0.00 0.00 0.00 0.00 51.96 49.03 2c8m s ALA 141 Cb -0.18 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2c8m s ALA 141 CO 0.08 -2.47 0.00 0.41 0.00 0.00 0.00 175.76 173.78 2c8m n GLY 142 N 4.90 3.80 0.00 0.00 0.00 -1.26 -2.13 105.19 110.49 2c8m n GLY 142 Ca 0.06 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.23 2c8m n GLY 142 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2c8m n GLU 143 N 14.00 0.02 -3.86 1.61 0.28 -1.26 -4.84 120.64 126.59 2c8m n GLU 143 Ca 0.00 0.05 -0.35 0.00 -0.16 0.00 0.00 57.16 56.70 2c8m n GLU 143 Cb 0.00 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.29 2c8m n GLU 143 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2c8m s LYS 144 N -2.98 3.94 -0.01 3.44 -0.14 -0.91 -4.93 119.74 118.16 2c8m s LYS 144 Ca 0.13 -0.24 -0.30 0.00 -1.36 0.00 0.00 55.97 54.20 2c8m s LYS 144 Cb 0.17 -3.29 -0.04 0.00 -1.68 0.00 0.00 37.83 32.99 2c8m s LYS 144 CO 0.47 0.41 1.09 0.21 -0.76 0.00 0.00 175.35 176.76 2c8m s LYS 145 N 0.03 4.47 0.00 1.68 2.20 0.20 -0.25 119.74 128.07 2c8m s LYS 145 Ca 0.08 1.56 0.04 0.00 -0.36 0.00 0.00 55.97 57.29 2c8m s LYS 145 Cb -0.12 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 2c8m s LYS 145 CO -0.00 -0.22 0.17 0.44 -0.36 0.00 0.00 175.35 175.38 2c8m n ILE 146 N 4.12 0.00 -3.60 5.43 -5.35 -0.82 -1.48 119.36 117.65 2c8m n ILE 146 Ca 0.08 -0.42 -0.15 0.00 -0.27 0.00 0.00 62.75 61.99 2c8m n ILE 146 Cb 0.48 1.00 -0.07 0.00 -1.74 0.00 0.00 39.64 39.32 2c8m n ILE 146 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 2c8m s MET 147 N -1.32 0.89 0.25 6.28 0.00 -1.14 -0.63 119.30 123.62 2c8m s MET 147 Ca 0.01 0.71 0.08 0.00 0.00 0.00 0.00 55.69 56.50 2c8m s MET 147 Cb 0.03 0.43 -0.05 0.00 0.00 0.00 0.00 34.83 35.23 2c8m s MET 147 CO 0.15 -0.17 -0.11 0.20 0.00 0.00 0.00 175.02 175.08 2c8m s GLY 148 N -0.17 1.70 0.07 2.11 0.00 -0.87 -1.21 107.32 108.95 2c8m s GLY 148 Ca -0.04 -1.81 -0.06 0.00 0.00 0.00 0.00 44.72 42.81 2c8m s GLY 148 CO 0.04 -1.84 0.11 0.00 0.00 0.00 0.00 173.10 171.42 2c8m s ALA 149 N -2.90 0.03 0.24 3.20 0.00 -1.01 -1.07 121.76 120.25 2c8m s ALA 149 Ca 0.27 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 2c8m s ALA 149 Cb 0.01 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 2c8m s ALA 149 CO 0.11 -0.46 0.22 0.00 0.00 0.00 0.00 175.76 175.63 2c8m s ALA 150 N -3.84 1.12 0.24 0.00 0.00 -0.80 -4.86 121.76 113.61 2c8m s ALA 150 Ca 0.05 -1.67 -0.22 0.00 0.00 0.00 0.00 51.96 50.13 2c8m s ALA 150 Cb 0.06 1.36 0.04 0.00 0.00 0.00 0.00 23.12 24.57 2c8m s ALA 150 CO -0.10 -0.64 0.72 0.20 0.00 0.00 0.00 175.76 175.93 2c8m s GLY 151 N -3.19 -0.23 0.07 0.00 0.00 -1.26 -1.94 107.32 100.77 2c8m s GLY 151 Ca 0.37 -0.07 -0.14 0.00 0.00 0.00 0.00 44.72 44.88 2c8m s GLY 151 CO 0.15 -0.02 0.33 0.00 0.00 0.00 0.00 173.10 173.56 2c8m s ALA 152 N -3.81 -0.74 0.03 3.20 0.00 0.38 -4.54 121.76 116.29 2c8m s ALA 152 Ca 0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.96 2c8m s ALA 152 Cb -0.04 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 2c8m s ALA 152 CO 0.02 -0.49 0.07 0.00 0.00 0.00 0.00 175.76 175.36 2c8m s MET 153 N -3.01 0.53 0.24 0.00 0.23 -1.26 -0.32 119.30 115.71 2c8m s MET 153 Ca -0.02 -0.72 -0.10 0.00 -1.03 0.00 0.00 55.69 53.82 2c8m s MET 153 Cb 0.01 0.21 -0.01 0.00 -1.53 0.00 0.00 34.83 33.50 2c8m s MET 153 CO -0.06 -0.13 0.41 -0.98 -2.03 0.00 0.00 175.02 172.23 2c8m s ARG 154 N -2.37 1.49 0.05 3.16 1.70 -0.42 -5.02 118.95 117.55 2c8m s ARG 154 Ca -0.07 -1.35 -0.31 0.00 -0.47 0.00 0.00 55.73 53.53 2c8m s ARG 154 Cb -0.03 0.43 -0.10 0.00 -0.57 0.00 0.00 34.95 34.68 2c8m s ARG 154 CO -0.04 -0.60 1.91 1.17 -1.08 0.00 0.00 175.30 176.66 2c8m n LYS 155 N -0.36 2.72 0.00 3.89 4.81 -1.26 -2.12 118.16 125.84 2c8m n LYS 155 Ca -0.01 0.99 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 2c8m n LYS 155 Cb 0.63 -2.91 0.00 0.00 0.02 0.00 0.00 35.03 32.77 2c8m n LYS 155 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2c8m n GLY 156 N 4.40 3.47 3.28 3.14 0.00 -1.23 -4.98 105.19 113.27 2c8m n GLY 156 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 2c8m n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c8m s ALA 157 N -2.98 -0.95 0.11 4.61 0.00 -0.90 -1.07 121.76 120.58 2c8m s ALA 157 Ca 0.00 0.72 0.07 0.00 0.00 0.00 0.00 51.96 52.75 2c8m s ALA 157 Cb 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 2c8m s ALA 157 CO 0.00 -0.24 -0.17 0.15 0.00 0.00 0.00 175.76 175.49 2c8m s LYS 158 N -0.73 1.04 -0.04 0.00 1.02 -0.60 -1.30 119.74 119.14 2c8m s LYS 158 Ca -0.08 -1.16 0.04 0.00 0.02 0.00 0.00 55.97 54.79 2c8m s LYS 158 Cb -0.04 -1.13 -0.00 0.00 -0.52 0.00 0.00 37.83 36.14 2c8m s LYS 158 CO 0.03 0.25 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.39 2c8m s LEU 159 N -2.08 1.90 -0.10 3.17 2.96 0.57 -2.55 118.68 122.54 2c8m s LEU 159 Ca 0.06 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 2c8m s LEU 159 Cb -0.08 -0.86 0.05 0.00 0.50 0.00 0.00 46.19 45.80 2c8m s LEU 159 CO 0.04 0.14 0.13 0.86 -1.32 0.00 0.00 176.35 176.19 2c8m s TRP 160 N 0.03 -0.06 0.05 5.38 -0.00 -0.77 -0.47 118.94 123.10 2c8m s TRP 160 Ca -0.03 0.29 0.05 0.00 -0.00 0.00 0.00 56.10 56.42 2c8m s TRP 160 Cb -0.10 -0.41 -0.02 0.00 -0.00 0.00 0.00 33.47 32.93 2c8m s TRP 160 CO 0.01 -0.34 -0.15 -3.38 -0.00 0.00 0.00 176.95 173.10 2c8m s HIS 161 N 2.24 1.29 0.04 5.86 -3.43 -0.82 -1.66 115.29 118.80 2c8m s HIS 161 Ca 0.04 -0.38 0.02 0.00 -0.80 0.00 0.00 55.06 53.95 2c8m s HIS 161 Cb -0.13 -0.75 -0.02 0.00 -1.43 0.00 0.00 32.58 30.24 2c8m s HIS 161 CO -0.06 0.05 -0.08 0.00 -2.00 0.00 0.00 174.74 172.64 2c8m s ALA 162 N -0.93 0.59 -0.22 -1.38 0.00 0.11 -1.91 121.76 118.02 2c8m s ALA 162 Ca 0.02 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.22 2c8m s ALA 162 Cb -0.08 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.12 2c8m s ALA 162 CO 0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 175.76 175.62 2c8m s ALA 163 N -1.38 2.38 -0.16 0.00 0.00 -0.23 -1.35 121.76 121.02 2c8m s ALA 163 Ca -0.10 -1.46 -0.05 0.00 0.00 0.00 0.00 51.96 50.35 2c8m s ALA 163 Cb -0.10 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 2c8m s ALA 163 CO 0.00 -0.80 0.02 1.41 0.00 0.00 0.00 175.76 176.39 2c8m s MET 164 N 1.23 3.78 -0.52 0.00 1.75 -0.18 -2.04 119.30 123.32 2c8m s MET 164 Ca -0.02 -0.42 -0.28 0.00 -1.25 0.00 0.00 55.69 53.72 2c8m s MET 164 Cb -0.17 -3.06 0.03 0.00 2.84 0.00 0.00 34.83 34.48 2c8m s MET 164 CO -0.09 0.29 1.10 -0.51 -0.65 0.00 0.00 175.02 175.17 2c8m s LEU 165 N 0.26 3.68 -0.21 4.11 1.43 0.20 -1.34 118.68 126.81 2c8m s LEU 165 Ca 0.01 0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 53.19 2c8m s LEU 165 Cb -0.13 -3.30 -0.09 0.00 0.03 0.00 0.00 46.19 42.70 2c8m s LEU 165 CO 0.01 -1.29 -0.30 0.52 0.23 0.00 0.00 176.35 175.53 2c8m n VAL 166 N 6.66 1.32 -2.74 -1.59 0.31 -0.58 -0.43 118.33 121.28 2c8m n VAL 166 Ca 0.09 -0.21 -0.10 0.00 -0.01 0.00 0.00 64.34 64.11 2c8m n VAL 166 Cb 0.49 -1.91 0.05 0.00 -0.91 0.00 0.00 33.84 31.56 2c8m n VAL 166 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c8m n HIS 167 N -4.10 -0.23 -2.75 3.52 1.44 0.41 -2.25 115.22 111.25 2c8m n HIS 167 Ca -0.38 -2.64 -0.33 0.00 -2.01 0.00 0.00 57.72 52.36 2c8m n HIS 167 Cb 0.74 0.29 -0.06 0.00 0.12 0.00 0.00 29.99 31.07 2c8m n HIS 167 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2c8m s THR 168 N -1.90 4.40 -0.77 0.61 2.01 -1.23 -4.35 115.64 114.41 2c8m s THR 168 Ca 0.27 1.44 -0.26 0.00 0.31 0.00 0.00 61.69 63.46 2c8m s THR 168 Cb 0.42 -3.61 -0.00 0.00 0.01 0.00 0.00 72.50 69.31 2c8m s THR 168 CO -0.02 -0.37 1.66 -0.62 -0.69 0.00 0.00 174.62 174.58 2c8m s ASP 169 N -2.31 5.67 0.53 3.53 -1.08 -1.26 -4.84 116.67 116.91 2c8m s ASP 169 Ca 0.62 -0.36 0.32 0.00 -0.52 0.00 0.00 52.55 52.60 2c8m s ASP 169 Cb -0.09 -2.55 1.22 0.00 -1.46 0.00 0.00 42.92 40.03 2c8m s ASP 169 CO 0.16 -2.18 1.93 -0.07 0.52 0.00 0.00 175.17 175.52 2c8m h LEU 170 N 15.29 0.00 -0.16 -1.34 3.38 -1.99 -1.82 115.31 128.68 2c8m h LEU 170 Ca -0.12 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.69 2c8m h LEU 170 Cb 1.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.83 2c8m h LEU 170 CO 1.27 0.00 -0.52 0.44 0.09 0.00 0.00 178.44 179.72 2c8m h ASP 171 N 0.00 0.73 -0.62 -0.43 3.32 -1.98 -1.34 116.42 116.10 2c8m h ASP 171 Ca 0.00 -0.60 -0.10 0.00 0.02 0.00 0.00 57.03 56.35 2c8m h ASP 171 Cb 0.58 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2c8m h ASP 171 CO 0.00 1.20 0.01 -0.03 -1.72 0.00 0.00 179.24 178.70 2c8m h MET 172 N 0.29 1.09 -0.28 3.56 4.05 -1.90 -1.82 114.93 119.92 2c8m h MET 172 Ca -0.02 -0.34 0.05 0.00 -0.28 0.00 0.00 59.70 59.10 2c8m h MET 172 Cb 1.14 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.80 2c8m h MET 172 CO 0.11 1.05 0.01 1.25 0.23 0.00 0.00 176.91 179.57 2c8m h LEU 173 N 0.99 -0.08 -1.01 3.39 6.46 -1.33 -1.83 115.31 121.90 2c8m h LEU 173 Ca 0.18 0.06 -0.09 0.00 -0.12 0.00 0.00 57.88 57.91 2c8m h LEU 173 Cb 0.56 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 2c8m h LEU 173 CO 0.03 -0.01 -0.23 0.28 -0.62 0.00 0.00 178.44 177.89 2c8m h SER 174 N 0.10 0.43 0.37 1.25 0.02 -0.96 -2.91 113.55 111.86 2c8m h SER 174 Ca 0.14 -0.14 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 2c8m h SER 174 Cb 0.17 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2c8m h SER 174 CO -0.22 0.67 -0.89 0.00 -1.14 0.00 0.00 176.83 175.25 2c8m h ALA 175 N 1.37 0.44 0.00 3.77 0.00 -1.01 -3.29 119.26 120.53 2c8m h ALA 175 Ca 0.06 -0.69 -0.12 0.00 0.00 0.00 0.00 54.91 54.16 2c8m h ALA 175 Cb 0.62 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2c8m h ALA 175 CO 0.04 0.83 -0.73 0.28 0.00 0.00 0.00 179.25 179.67 2c8m h VAL 176 N 0.21 0.80 -3.34 0.00 2.07 -1.28 -3.44 116.25 111.27 2c8m h VAL 176 Ca -0.06 -2.19 -0.63 0.00 0.82 0.00 0.00 66.70 64.64 2c8m h VAL 176 Cb 1.51 2.34 -0.13 0.00 -1.52 0.00 0.00 31.29 33.49 2c8m h VAL 176 CO 0.15 0.45 0.41 -0.76 0.02 0.00 0.00 177.57 177.85 2c8m s LEU 177 N -6.30 4.30 0.00 2.57 1.43 -1.10 -0.58 118.68 118.99 2c8m s LEU 177 Ca 0.02 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2c8m s LEU 177 Cb 0.08 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.49 2c8m s LEU 177 CO 0.76 -1.08 0.00 0.29 0.23 0.00 0.00 176.35 176.56 2c8m n LYS 178 N 7.02 0.00 -3.45 1.70 5.02 -0.36 -4.91 118.16 123.18 2c8m n LYS 178 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 2c8m n LYS 178 Cb 0.47 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.42 2c8m n LYS 178 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2c8m s SER 191 N -4.00 6.54 0.34 4.39 0.15 -1.26 -4.31 113.70 115.55 2c8m s SER 191 Ca 0.00 0.64 0.02 0.00 0.70 0.00 0.00 55.95 57.31 2c8m s SER 191 Cb 0.00 -2.22 0.62 0.00 -1.71 0.00 0.00 66.02 62.71 2c8m s SER 191 CO 0.00 0.06 1.99 0.74 1.20 0.00 0.00 173.24 177.23 2c8m h THR 192 N 4.68 1.13 -0.40 6.45 2.02 -1.96 -2.81 112.91 122.02 2c8m h THR 192 Ca -0.41 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.42 2c8m h THR 192 Cb 1.17 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2c8m h THR 192 CO 0.75 0.16 0.08 -0.09 0.37 0.00 0.00 175.52 176.79 2c8m h ARG 193 N 0.89 0.60 -0.62 6.66 9.65 -1.91 -1.42 114.38 128.23 2c8m h ARG 193 Ca 0.27 -0.11 0.16 0.00 -1.10 0.00 0.00 59.98 59.20 2c8m h ARG 193 Cb -0.00 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.45 2c8m h ARG 193 CO -0.07 0.57 0.44 0.93 2.80 0.00 0.00 179.97 184.63 2c8m h GLU 194 N 0.58 0.14 -0.01 0.20 4.39 -1.91 -3.15 114.58 114.82 2c8m h GLU 194 Ca 0.13 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2c8m h GLU 194 Cb 0.26 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2c8m h GLU 194 CO 0.00 0.09 -0.41 2.89 -1.16 0.00 0.00 179.01 180.42 2c8m n ARG 195 N -4.41 1.42 -4.29 2.33 -4.01 -0.54 -4.93 116.66 102.24 2c8m n ARG 195 Ca 0.12 -0.93 -0.23 0.00 -1.04 0.00 0.00 57.85 55.76 2c8m n ARG 195 Cb 0.59 -1.39 -0.07 0.00 -3.04 0.00 0.00 32.46 28.55 2c8m n ARG 195 CO 0.00 0.00 0.00 0.14 -3.04 0.00 0.00 177.63 174.73 2c8m s VAL 196 N -2.23 3.40 0.13 8.89 -7.23 -1.19 -0.63 120.40 121.54 2c8m s VAL 196 Ca 0.16 -1.91 -0.14 0.00 -1.81 0.00 0.00 61.98 58.28 2c8m s VAL 196 Cb 0.16 -2.84 0.02 0.00 0.56 0.00 0.00 36.38 34.28 2c8m s VAL 196 CO 0.50 -0.36 0.36 0.00 -0.31 0.00 0.00 175.10 175.29 2c8m s ALA 197 N -2.34 -0.68 0.20 1.32 0.00 -0.55 -4.81 121.76 114.90 2c8m s ALA 197 Ca 0.32 -0.29 -0.08 0.00 0.00 0.00 0.00 51.96 51.91 2c8m s ALA 197 Cb -0.06 0.69 -0.07 0.00 0.00 0.00 0.00 23.12 23.68 2c8m s ALA 197 CO 0.20 -0.64 0.49 -0.80 0.00 0.00 0.00 175.76 175.01 2c8m s ASN 198 N -2.84 6.59 0.30 0.00 0.02 -1.26 -4.30 114.94 113.44 2c8m s ASN 198 Ca 0.06 0.81 0.03 0.00 -1.02 0.00 0.00 52.86 52.74 2c8m s ASN 198 Cb 0.02 -2.18 0.63 0.00 0.02 0.00 0.00 41.25 39.74 2c8m s ASN 198 CO -0.09 -0.02 1.84 0.58 0.02 0.00 0.00 177.10 179.42 2c8m h VAL 199 N 2.05 0.88 0.00 1.60 2.07 -0.77 -0.53 116.25 121.55 2c8m h VAL 199 Ca -0.47 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2c8m h VAL 199 Cb 1.17 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2c8m h VAL 199 CO 0.70 0.17 0.00 0.35 0.02 0.00 0.00 177.57 178.81 2c8m n THR 200 N -4.62 0.53 0.32 2.57 -2.24 -0.95 -1.27 114.28 108.62 2c8m n THR 200 Ca 0.19 0.13 0.15 0.00 -2.27 0.00 0.00 64.05 62.26 2c8m n THR 200 Cb 0.40 -0.83 0.65 0.00 -2.10 0.00 0.00 70.33 68.45 2c8m n THR 200 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2c8m h ASP 201 N 0.00 0.00 0.00 3.42 3.32 -1.36 -3.36 116.42 118.44 2c8m h ASP 201 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2c8m h ASP 201 Cb 0.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2c8m h ASP 201 CO 0.00 0.00 -1.38 0.49 -1.72 0.00 0.00 179.24 176.63 2c8m n PHE 202 N -2.75 0.00 -3.88 4.55 3.72 -0.40 -5.04 117.46 113.66 2c8m n PHE 202 Ca 0.01 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.29 2c8m n PHE 202 Cb 0.25 -0.26 -0.13 0.00 -0.94 0.00 0.00 39.48 38.40 2c8m n PHE 202 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2c8m s VAL 203 N -2.13 0.02 -0.92 -4.37 -7.23 -0.81 -5.04 120.40 99.92 2c8m s VAL 203 Ca -0.08 -0.18 -0.24 0.00 -1.81 0.00 0.00 61.98 59.67 2c8m s VAL 203 Cb 0.02 -0.10 0.05 0.00 0.56 0.00 0.00 36.38 36.91 2c8m s VAL 203 CO 0.17 -0.10 1.37 -0.62 -0.31 0.00 0.00 175.10 175.61 2c8m s ASP 204 N -0.29 6.39 0.04 4.85 2.15 -1.26 -4.07 116.67 124.47 2c8m s ASP 204 Ca -0.03 -1.14 -0.02 0.00 0.43 0.00 0.00 52.55 51.79 2c8m s ASP 204 Cb -0.02 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 40.02 2c8m s ASP 204 CO -0.00 -1.60 -0.00 0.68 -0.17 0.00 0.00 175.17 174.08 2c8m s VAL 205 N 5.12 0.16 0.35 1.11 -7.23 -1.26 -5.14 120.40 113.51 2c8m s VAL 205 Ca 0.41 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 2c8m s VAL 205 Cb -0.03 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.93 2c8m s VAL 205 CO -0.01 -0.74 0.56 -0.94 -0.31 0.00 0.00 175.10 173.66 2c8m s SER 206 N -2.25 6.30 0.41 4.85 1.04 -1.26 -4.88 113.70 117.91 2c8m s SER 206 Ca -0.04 0.48 0.19 0.00 0.48 0.00 0.00 55.95 57.06 2c8m s SER 206 Cb -0.00 -2.05 1.11 0.00 0.10 0.00 0.00 66.02 65.18 2c8m s SER 206 CO -0.06 -0.31 1.81 0.40 0.98 0.00 0.00 173.24 176.07 2c8m h ILE 207 N 0.74 0.59 -0.09 -1.02 1.08 -1.97 -0.98 117.51 115.86 2c8m h ILE 207 Ca -0.50 -0.13 -0.19 0.00 -0.39 0.00 0.00 64.86 63.65 2c8m h ILE 207 Cb 1.22 0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 35.13 2c8m h ILE 207 CO 0.61 0.07 -0.73 0.44 -0.69 0.00 0.00 178.15 177.86 2c8m h ASP 208 N 0.39 0.54 -0.45 1.72 3.32 -1.99 0.27 116.42 120.22 2c8m h ASP 208 Ca 0.54 -0.35 -0.13 0.00 0.02 0.00 0.00 57.03 57.11 2c8m h ASP 208 Cb 1.38 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2c8m h ASP 208 CO -0.23 1.09 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.85 2c8m h GLU 209 N 0.31 0.96 0.19 3.56 5.08 -1.74 -0.99 114.58 121.94 2c8m h GLU 209 Ca -0.03 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2c8m h GLU 209 Cb 1.31 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2c8m h GLU 209 CO 0.13 1.07 -0.09 0.28 -1.00 0.00 0.00 179.01 179.39 2c8m h VAL 210 N 0.83 0.82 -0.64 3.13 2.07 -0.88 -0.69 116.25 120.89 2c8m h VAL 210 Ca 0.11 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.66 2c8m h VAL 210 Cb 0.77 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 2c8m h VAL 210 CO 0.06 0.01 0.34 -0.09 0.02 0.00 0.00 177.57 177.91 2c8m h ARG 211 N -0.27 0.61 -0.42 1.57 2.43 -0.91 -0.34 114.38 117.05 2c8m h ARG 211 Ca -0.03 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 2c8m h ARG 211 Cb 0.21 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2c8m h ARG 211 CO 0.04 0.41 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.99 2c8m h ASN 212 N 0.63 0.66 -0.33 -3.80 2.35 -1.01 -0.42 115.58 113.65 2c8m h ASN 212 Ca 0.29 -0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 2c8m h ASN 212 Cb 0.20 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2c8m h ASN 212 CO -0.19 0.74 -0.26 0.00 -1.65 0.00 0.00 177.43 176.07 2c8m h ALA 213 N 1.34 0.79 -0.66 -0.83 0.00 -0.25 -1.92 119.26 117.73 2c8m h ALA 213 Ca 0.13 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2c8m h ALA 213 Cb 0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2c8m h ALA 213 CO 0.02 0.65 0.10 -0.07 0.00 0.00 0.00 179.25 179.95 2c8m h LEU 214 N 0.72 1.05 -0.21 0.00 3.38 -0.69 0.11 115.31 119.67 2c8m h LEU 214 Ca 0.09 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2c8m h LEU 214 Cb 0.80 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2c8m h LEU 214 CO 0.07 1.04 0.13 0.40 0.09 0.00 0.00 178.44 180.16 2c8m h ILE 215 N 1.02 1.08 -0.23 1.22 2.04 -0.93 0.26 117.51 121.97 2c8m h ILE 215 Ca 0.20 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2c8m h ILE 215 Cb 0.44 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2c8m h ILE 215 CO 0.01 0.08 0.10 -0.09 0.00 0.00 0.00 178.15 178.25 2c8m h ARG 216 N 0.25 0.33 -0.45 2.37 2.43 -1.16 -0.36 114.38 117.79 2c8m h ARG 216 Ca 0.07 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 2c8m h ARG 216 Cb 0.01 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2c8m h ARG 216 CO -0.01 0.35 -0.04 0.78 -1.51 0.00 0.00 179.97 179.54 2c8m h GLY 217 N 0.23 0.90 1.02 2.80 0.00 -0.63 -0.66 103.07 106.72 2c8m h GLY 217 Ca 0.08 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.64 2c8m h GLY 217 CO -0.01 0.63 -0.01 0.74 0.00 0.00 0.00 176.54 177.89 2c8m h PHE 218 N 0.67 0.97 -0.05 5.60 -1.00 -0.95 -0.74 116.94 121.45 2c8m h PHE 218 Ca 0.12 -0.17 0.02 0.00 2.81 0.00 0.00 57.97 60.75 2c8m h PHE 218 Cb 0.56 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 2c8m h PHE 218 CO 0.04 0.91 -0.08 0.77 -1.61 0.00 0.00 178.31 178.34 2c8m h SER 219 N 0.75 -0.25 0.05 2.17 0.02 -0.87 0.13 113.55 115.55 2c8m h SER 219 Ca 0.14 0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 61.00 2c8m h SER 219 Cb 0.53 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2c8m h SER 219 CO 0.03 -0.12 -0.44 -0.33 -1.14 0.00 0.00 176.83 174.82 2c8m h GLU 220 N -0.12 0.48 0.23 3.45 5.08 -1.09 0.18 114.58 122.78 2c8m h GLU 220 Ca 0.05 -0.25 -0.34 0.00 -1.00 0.00 0.00 59.36 57.81 2c8m h GLU 220 Cb 0.19 0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.48 2c8m h GLU 220 CO -0.12 0.83 -1.57 1.15 -1.00 0.00 0.00 179.01 178.30 2c8m h THR 221 N 0.39 1.18 -0.01 1.13 2.02 -0.98 -3.25 112.91 113.38 2c8m h THR 221 Ca 0.03 -2.65 0.00 0.00 0.77 0.00 0.00 66.41 64.55 2c8m h THR 221 Cb 0.93 2.95 0.00 0.00 -1.74 0.00 0.00 68.15 70.30 2c8m h THR 221 CO 0.08 0.83 -0.22 0.18 0.37 0.00 0.00 175.52 176.75 2c8m n LEU 222 N -3.67 0.98 -3.67 2.58 4.77 0.02 -4.97 117.00 113.04 2c8m n LEU 222 Ca -0.19 -0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 55.32 2c8m n LEU 222 Cb 1.10 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 42.10 2c8m n LEU 222 CO 0.58 0.18 -0.07 1.41 -1.33 0.00 0.00 177.39 178.16 2c8m n HIS 223 N -0.65 -1.95 -4.86 -1.77 8.25 0.51 -4.97 115.22 109.78 2c8m n HIS 223 Ca 0.13 0.76 -0.26 0.00 -0.26 0.00 0.00 57.72 58.09 2c8m n HIS 223 Cb 0.34 -4.14 -0.16 0.00 1.12 0.00 0.00 29.99 27.15 2c8m n HIS 223 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2c8m s ILE 224 N -3.62 1.45 -0.94 1.59 1.01 -0.48 -3.21 121.20 117.00 2c8m s ILE 224 Ca 0.14 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 2c8m s ILE 224 Cb -0.04 -1.23 0.17 0.00 0.01 0.00 0.00 42.46 41.37 2c8m s ILE 224 CO 0.82 0.41 1.05 -0.62 0.00 0.00 0.00 174.94 176.61 2c8m s ASP 225 N -0.09 6.76 -0.21 3.58 -1.08 0.91 -4.40 116.67 122.13 2c8m s ASP 225 Ca -0.01 -2.44 -0.29 0.00 -0.52 0.00 0.00 52.55 49.29 2c8m s ASP 225 Cb -0.10 -2.33 -0.01 0.00 -1.46 0.00 0.00 42.92 39.02 2c8m s ASP 225 CO 0.01 -0.83 1.30 -0.36 0.52 0.00 0.00 175.17 175.81 2c8m s PHE 226 N 1.56 2.74 0.06 -5.34 0.08 -1.26 -1.78 117.98 114.03 2c8m s PHE 226 Ca 0.29 0.92 0.08 0.00 0.12 0.00 0.00 56.93 58.34 2c8m s PHE 226 Cb -0.06 -3.68 -0.03 0.00 -0.57 0.00 0.00 43.02 38.67 2c8m s PHE 226 CO -0.08 -1.80 -0.19 1.03 -0.10 0.00 0.00 175.22 174.08 2c8m s ARG 227 N 3.81 1.99 0.31 0.44 0.52 -1.06 -4.79 118.95 120.17 2c8m s ARG 227 Ca 0.56 -1.03 -0.29 0.00 -0.52 0.00 0.00 55.73 54.46 2c8m s ARG 227 Cb -0.20 -2.16 -0.13 0.00 0.52 0.00 0.00 34.95 32.98 2c8m s ARG 227 CO 0.19 0.53 1.29 -1.91 0.02 0.00 0.00 175.30 175.42 2c8m n GLU 228 N 1.41 2.03 -3.98 3.54 2.13 -1.26 -1.46 120.64 123.06 2c8m n GLU 228 Ca -0.16 0.72 -0.09 0.00 0.66 0.00 0.00 57.16 58.28 2c8m n GLU 228 Cb 0.52 -2.30 -0.06 0.00 0.27 0.00 0.00 31.44 29.88 2c8m n GLU 228 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2c8m s ASP 229 N -0.18 -0.07 0.43 4.31 2.15 -0.20 -4.79 116.67 118.32 2c8m s ASP 229 Ca 0.59 -0.90 0.05 0.00 0.43 0.00 0.00 52.55 52.72 2c8m s ASP 229 Cb -0.60 0.55 -0.06 0.00 -0.30 0.00 0.00 42.92 42.51 2c8m s ASP 229 CO 0.59 -1.07 0.01 0.42 -0.17 0.00 0.00 175.17 174.95 2c8m s THR 230 N -4.00 1.72 0.64 1.71 -4.23 -1.26 -4.34 115.64 105.88 2c8m s THR 230 Ca 0.21 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.59 2c8m s THR 230 Cb 0.00 -2.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.06 2c8m s THR 230 CO 0.06 0.00 1.06 0.27 -0.54 0.00 0.00 174.62 175.47 2c8m s ILE 231 N -2.79 3.94 0.60 2.99 -4.36 -1.26 -5.06 121.20 115.27 2c8m s ILE 231 Ca 0.27 0.77 -0.04 0.00 -0.26 0.00 0.00 60.65 61.39 2c8m s ILE 231 Cb 0.08 -3.40 0.03 0.00 1.25 0.00 0.00 42.46 40.42 2c8m s ILE 231 CO 0.14 -0.69 0.89 0.42 0.24 0.00 0.00 174.94 175.94 2c8m s THR 232 N -2.75 3.08 0.39 8.37 -4.23 -1.26 -4.89 115.64 114.34 2c8m s THR 232 Ca 0.61 -0.25 0.08 0.00 -1.18 0.00 0.00 61.69 60.95 2c8m s THR 232 Cb -0.15 -3.23 0.18 0.00 1.34 0.00 0.00 72.50 70.64 2c8m s THR 232 CO 0.46 -0.22 1.95 -0.33 -0.54 0.00 0.00 174.62 175.93 2c8m h GLU 233 N -0.21 0.34 -0.09 3.99 5.08 -1.98 0.15 114.58 121.86 2c8m h GLU 233 Ca -0.45 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 2c8m h GLU 233 Cb 1.28 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2c8m h GLU 233 CO 0.59 0.39 0.00 0.87 -1.00 0.00 0.00 179.01 179.86 2c8m h LYS 234 N 0.33 0.16 -0.22 2.33 1.79 -1.99 -0.11 116.57 118.86 2c8m h LYS 234 Ca 0.07 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2c8m h LYS 234 Cb 0.26 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2c8m h LYS 234 CO 0.01 0.41 0.14 0.93 -1.08 0.00 0.00 179.45 179.86 2c8m h GLU 235 N -0.11 0.29 -0.49 3.15 5.08 -1.82 -1.71 114.58 118.98 2c8m h GLU 235 Ca 0.03 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2c8m h GLU 235 Cb 0.33 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2c8m h GLU 235 CO 0.00 0.21 0.29 1.49 -1.00 0.00 0.00 179.01 180.01 2c8m h GLU 236 N 0.29 0.57 -0.08 2.33 4.57 -0.93 -1.52 114.58 119.81 2c8m h GLU 236 Ca 0.08 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.08 2c8m h GLU 236 Cb -0.02 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 2c8m h GLU 236 CO -0.02 0.38 -0.60 0.66 -1.18 0.00 0.00 179.01 178.25 2c8m h SER 237 N 0.59 0.32 -0.57 1.04 4.64 -0.88 -0.47 113.55 118.22 2c8m h SER 237 Ca 0.19 -0.18 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 2c8m h SER 237 Cb 0.01 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 2c8m h SER 237 CO -0.08 0.84 0.09 0.25 -0.87 0.00 0.00 176.83 177.06 2c8m h LEU 238 N 0.21 0.92 -0.69 5.97 5.85 -1.18 -1.34 115.31 125.04 2c8m h LEU 238 Ca -0.01 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 2c8m h LEU 238 Cb 1.11 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 2c8m h LEU 238 CO 0.10 0.95 0.33 0.00 -0.34 0.00 0.00 178.44 179.47 2c8m h ALA 239 N 1.00 0.89 -0.27 1.25 0.00 -0.93 0.63 119.26 121.83 2c8m h ALA 239 Ca 0.17 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2c8m h ALA 239 Cb 0.42 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2c8m h ALA 239 CO 0.01 0.47 -0.25 0.00 0.00 0.00 0.00 179.25 179.48 2c8m h ARG 240 N 0.97 0.51 -0.34 0.00 2.47 -0.96 0.07 114.38 117.09 2c8m h ARG 240 Ca 0.24 -0.20 -0.07 0.00 -1.26 0.00 0.00 59.98 58.69 2c8m h ARG 240 Cb 0.13 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 2c8m h ARG 240 CO -0.03 0.72 -0.06 1.49 0.56 0.00 0.00 179.97 182.66 2c8m h GLU 241 N 0.45 0.64 -0.50 0.04 4.81 -0.87 -1.53 114.58 117.62 2c8m h GLU 241 Ca 0.07 -0.23 -0.09 0.00 -0.13 0.00 0.00 59.36 58.97 2c8m h GLU 241 Cb 0.68 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2c8m h GLU 241 CO 0.05 0.80 -0.05 -0.07 -0.73 0.00 0.00 179.01 179.01 2c8m h LEU 242 N 0.43 0.84 0.24 1.64 3.38 -0.51 -0.22 115.31 121.11 2c8m h LEU 242 Ca 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2c8m h LEU 242 Cb 0.55 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2c8m h LEU 242 CO 0.03 0.93 -0.12 0.15 0.09 0.00 0.00 178.44 179.52 2c8m h PHE 243 N 0.79 -0.30 -0.41 1.13 3.57 -1.01 0.61 116.94 121.32 2c8m h PHE 243 Ca 0.14 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.68 2c8m h PHE 243 Cb 0.54 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 2c8m h PHE 243 CO 0.03 -0.05 0.16 -0.44 -2.23 0.00 0.00 178.31 175.78 2c8m h ASP 244 N -0.53 0.18 0.97 0.41 3.32 -1.02 -0.52 116.42 119.23 2c8m h ASP 244 Ca -0.03 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 2c8m h ASP 244 Cb 0.39 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2c8m h ASP 244 CO 0.06 0.14 -1.10 0.11 -1.72 0.00 0.00 179.24 176.72 2c8m h LYS 245 N 0.33 0.00 0.00 3.56 1.57 -1.10 -3.44 116.57 117.49 2c8m h LYS 245 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2c8m h LYS 245 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2c8m h LYS 245 CO -0.18 0.35 0.00 1.17 -0.57 0.00 0.00 179.45 180.22 2c8m n LYS 246 N -2.99 0.00 0.29 3.15 4.81 0.03 -4.85 118.16 118.61 2c8m n LYS 246 Ca -0.05 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.56 2c8m n LYS 246 Cb 0.79 -0.08 0.90 0.00 0.02 0.00 0.00 35.03 36.66 2c8m n LYS 246 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 2c8m h TYR 247 N 0.00 0.00 -0.00 5.64 0.05 -0.99 -1.50 116.97 120.16 2c8m h TYR 247 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2c8m h TYR 247 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2c8m h TYR 247 CO 0.00 0.05 -0.19 -1.13 -1.05 0.00 0.00 178.16 175.83 2c8m n SER 248 N -3.36 0.49 -4.90 3.88 3.41 -0.21 -4.85 113.62 108.08 2c8m n SER 248 Ca -0.02 -0.40 -0.33 0.00 -0.26 0.00 0.00 58.87 57.87 2c8m n SER 248 Cb 0.19 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 2c8m n SER 248 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2c8m s THR 249 N -2.66 5.25 0.26 6.66 -4.23 -0.57 -4.99 115.64 115.38 2c8m s THR 249 Ca 0.22 0.01 0.18 0.00 -1.18 0.00 0.00 61.69 60.93 2c8m s THR 249 Cb 0.19 -3.61 0.14 0.00 1.34 0.00 0.00 72.50 70.57 2c8m s THR 249 CO 0.53 0.18 1.80 -0.33 -0.54 0.00 0.00 174.62 176.27 2c8m h GLU 250 N 3.32 0.00 0.03 3.99 4.39 -1.91 -2.58 114.58 121.82 2c8m h GLU 250 Ca -0.47 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 2c8m h GLU 250 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2c8m h GLU 250 CO 0.71 0.35 -0.02 0.93 -1.16 0.00 0.00 179.01 179.82 2c8m h GLU 251 N 0.00 -0.04 0.45 2.33 3.07 -1.91 0.57 114.58 119.04 2c8m h GLU 251 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2c8m h GLU 251 Cb 0.76 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.66 2c8m h GLU 251 CO 0.05 0.11 -0.45 2.35 -1.40 0.00 0.00 179.01 179.66 2c8m h TRP 252 N -0.19 -1.25 -0.14 4.33 2.91 -1.76 -0.68 115.95 119.17 2c8m h TRP 252 Ca -0.00 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 59.91 2c8m h TRP 252 Cb 0.17 0.48 0.00 0.00 -0.51 0.00 0.00 29.16 29.31 2c8m h TRP 252 CO -0.03 -0.60 -0.34 -0.91 -1.03 0.00 0.00 178.44 175.53 2c8m h ASN 253 N -0.90 0.54 0.54 2.65 4.21 -1.44 -3.16 115.58 118.02 2c8m h ASN 253 Ca -0.06 -0.58 0.00 0.00 1.21 0.00 0.00 56.30 56.88 2c8m h ASN 253 Cb 0.78 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 2c8m h ASN 253 CO -0.05 1.02 -0.57 0.23 -1.29 0.00 0.00 177.43 176.76 2c8m n MET 254 N -4.36 0.07 -2.41 0.81 2.81 0.19 -4.66 117.12 109.57 2c8m n MET 254 Ca -0.07 0.01 -0.09 0.00 -1.81 0.00 0.00 57.70 55.74 2c8m n MET 254 Cb 0.50 -1.54 0.01 0.00 -0.71 0.00 0.00 33.22 31.48 2c8m n MET 254 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2c8m n GLY 255 N 1.47 0.12 3.75 3.03 0.00 -0.29 -4.74 105.19 108.52 2c8m n GLY 255 Ca 0.05 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 2c8m n GLY 255 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c8m s LEU 256 N -2.81 4.62 0.00 0.99 1.43 -1.03 -5.02 118.68 116.86 2c8m s LEU 256 Ca 0.08 2.04 0.29 0.00 -1.03 0.00 0.00 54.13 55.50 2c8m s LEU 256 Cb -0.03 -3.62 1.24 0.00 0.03 0.00 0.00 46.19 43.81 2c8m s LEU 256 CO 0.09 0.07 1.85 0.00 0.23 0.00 0.00 176.35 178.60