#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mcv s ALA 3 N 0.00 3.21 0.90 4.31 0.00 -1.26 -5.04 121.76 123.88 3mcv s ALA 3 Ca 0.00 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 3mcv s ALA 3 Cb 0.00 -3.22 0.13 0.00 0.00 0.00 0.00 23.12 20.04 3mcv s ALA 3 CO 0.00 0.07 1.09 -1.25 0.00 0.00 0.00 175.76 175.68 3mcv s PRO 4 N -2.01 1.22 0.00 0.00 0.04 -1.26 -4.77 135.00 128.22 3mcv s PRO 4 Ca 0.50 0.73 0.04 0.00 0.04 0.00 0.00 61.00 62.32 3mcv s PRO 4 Cb -0.21 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 3mcv s PRO 4 CO 0.27 -2.24 -0.14 0.00 0.04 0.00 0.00 177.00 174.92 3mcv s ALA 5 N -2.98 1.16 0.03 8.56 0.00 -1.26 -1.07 121.76 126.21 3mcv s ALA 5 Ca 0.63 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.99 3mcv s ALA 5 Cb -0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 3mcv s ALA 5 CO 0.57 0.27 -0.17 0.00 0.00 0.00 0.00 175.76 176.42 3mcv s ALA 6 N -0.46 1.43 -0.18 0.00 0.00 0.41 -0.77 121.76 122.19 3mcv s ALA 6 Ca 0.04 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 3mcv s ALA 6 Cb -0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3mcv s ALA 6 CO -0.00 0.31 0.04 0.08 0.00 0.00 0.00 175.76 176.19 3mcv s VAL 7 N -0.75 4.59 -0.17 0.00 1.01 -0.18 -0.33 120.40 124.57 3mcv s VAL 7 Ca 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3mcv s VAL 7 Cb -0.08 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.27 3mcv s VAL 7 CO 0.01 0.47 -0.14 -0.69 0.00 0.00 0.00 175.10 174.75 3mcv s VAL 8 N 0.36 1.70 0.35 2.92 1.01 -0.76 -0.39 120.40 125.58 3mcv s VAL 8 Ca 0.01 -0.83 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 3mcv s VAL 8 Cb -0.13 -1.64 -0.10 0.00 0.00 0.00 0.00 36.38 34.51 3mcv s VAL 8 CO 0.01 0.37 0.91 0.42 0.00 0.00 0.00 175.10 176.81 3mcv s THR 9 N 1.41 4.32 -1.33 3.92 -4.23 -0.67 -1.91 115.64 117.16 3mcv s THR 9 Ca 0.03 1.62 -0.04 0.00 -1.18 0.00 0.00 61.69 62.12 3mcv s THR 9 Cb -0.14 -3.84 0.02 0.00 1.34 0.00 0.00 72.50 69.87 3mcv s THR 9 CO -0.10 -0.02 0.93 0.61 -0.54 0.00 0.00 174.62 175.50 3mcv n GLY 10 N 0.14 -0.40 0.83 3.99 0.00 -1.09 -2.72 105.19 105.95 3mcv n GLY 10 Ca 0.03 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.32 3mcv n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mcv n ALA 11 N -4.45 2.47 0.13 4.61 0.00 -0.11 -4.14 120.51 119.02 3mcv n ALA 11 Ca -0.17 -0.74 -0.02 0.00 0.00 0.00 0.00 53.44 52.51 3mcv n ALA 11 Cb 0.62 -0.98 0.16 0.00 0.00 0.00 0.00 19.45 19.25 3mcv n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mcv h ALA 12 N 4.27 0.95 -2.37 0.00 0.00 -1.88 -2.91 119.26 117.32 3mcv h ALA 12 Ca 0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 54.91 54.17 3mcv h ALA 12 Cb 0.72 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.27 3mcv h ALA 12 CO 0.00 0.76 -0.66 0.15 0.00 0.00 0.00 179.25 179.50 3mcv s LYS 13 N -3.64 0.88 6.59 0.00 1.02 -1.26 -4.54 119.74 118.78 3mcv s LYS 13 Ca -0.02 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.57 3mcv s LYS 13 Cb 0.13 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.60 3mcv s LYS 13 CO 0.77 -0.21 0.00 0.54 -0.92 0.00 0.00 175.35 175.53 3mcv n ARG 14 N -0.07 0.00 -0.17 1.68 1.74 -1.26 -1.60 116.66 116.98 3mcv n ARG 14 Ca -0.08 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.92 3mcv n ARG 14 Cb 0.63 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.08 3mcv n ARG 14 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3mcv h ILE 15 N 0.00 1.22 -0.73 0.55 2.04 -1.91 -1.95 117.51 116.72 3mcv h ILE 15 Ca 0.00 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.20 3mcv h ILE 15 Cb 0.00 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3mcv h ILE 15 CO 0.00 0.26 0.47 1.23 0.00 0.00 0.00 178.15 180.11 3mcv h GLY 16 N 0.66 1.05 1.00 5.37 0.00 -1.67 -1.07 103.07 108.42 3mcv h GLY 16 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3mcv h GLY 16 CO -0.01 0.32 0.22 -0.09 0.00 0.00 0.00 176.54 176.98 3mcv h ARG 17 N 0.93 0.44 -0.90 4.80 2.43 -1.07 -0.90 114.38 120.11 3mcv h ARG 17 Ca 0.29 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 3mcv h ARG 17 Cb -0.03 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.37 3mcv h ARG 17 CO -0.09 0.30 0.59 0.00 -1.51 0.00 0.00 179.97 179.26 3mcv h ALA 18 N 1.12 1.17 -0.16 2.80 0.00 -0.74 0.06 119.26 123.50 3mcv h ALA 18 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3mcv h ALA 18 Cb -0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3mcv h ALA 18 CO -0.03 0.50 0.07 0.82 0.00 0.00 0.00 179.25 180.61 3mcv h ILE 19 N 1.18 1.15 -0.23 0.00 2.04 -0.94 -0.80 117.51 119.90 3mcv h ILE 19 Ca 0.34 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.81 3mcv h ILE 19 Cb -0.08 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 3mcv h ILE 19 CO -0.09 0.14 -0.00 0.00 0.00 0.00 0.00 178.15 178.19 3mcv h ALA 20 N 0.92 0.20 -0.27 1.87 0.00 -0.76 0.23 119.26 121.44 3mcv h ALA 20 Ca 0.05 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3mcv h ALA 20 Cb 0.16 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3mcv h ALA 20 CO -0.01 -0.43 0.13 0.28 0.00 0.00 0.00 179.25 179.22 3mcv h VAL 21 N 0.07 0.98 -0.59 0.00 2.07 -0.87 -0.54 116.25 117.37 3mcv h VAL 21 Ca 0.11 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 3mcv h VAL 21 Cb 0.14 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3mcv h VAL 21 CO -0.19 0.05 0.04 0.11 0.02 0.00 0.00 177.57 177.60 3mcv h LYS 22 N 0.27 1.01 -0.37 1.57 1.57 -0.83 0.94 116.57 120.74 3mcv h LYS 22 Ca 0.11 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 3mcv h LYS 22 Cb 0.05 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3mcv h LYS 22 CO -0.09 0.98 0.22 -0.07 -0.57 0.00 0.00 179.45 179.93 3mcv h LEU 23 N 0.91 0.36 -0.80 2.94 3.38 -0.81 -1.42 115.31 119.87 3mcv h LEU 23 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3mcv h LEU 23 Cb 0.50 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3mcv h LEU 23 CO 0.02 0.26 0.49 -0.74 0.09 0.00 0.00 178.44 178.56 3mcv h HIS 24 N 0.45 1.05 0.00 1.13 2.76 -0.71 -1.67 115.15 118.16 3mcv h HIS 24 Ca 0.15 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 3mcv h HIS 24 Cb -0.00 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.60 3mcv h HIS 24 CO -0.07 0.70 -0.18 1.96 -1.30 0.00 0.00 177.93 179.04 3mcv h GLN 25 N 1.10 0.00 0.00 5.26 4.20 -0.41 -1.20 115.11 124.06 3mcv h GLN 25 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3mcv h GLN 25 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3mcv h GLN 25 CO -0.05 0.18 0.00 2.41 -0.67 0.00 0.00 178.83 180.70 3mcv n THR 26 N -4.12 0.26 0.00 -0.54 -1.04 -0.57 -4.91 114.28 103.35 3mcv n THR 26 Ca -0.02 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 3mcv n THR 26 Cb 0.26 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 3mcv n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mcv n GLY 27 N 1.40 0.98 3.78 3.41 0.00 -0.45 -5.09 105.19 109.22 3mcv n GLY 27 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3mcv n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mcv s TYR 28 N -2.00 3.09 0.23 1.61 1.51 -0.70 -4.42 117.35 116.67 3mcv s TYR 28 Ca 0.00 1.60 -0.19 0.00 -1.01 0.00 0.00 57.07 57.47 3mcv s TYR 28 Cb 0.00 -3.18 -0.08 0.00 -0.11 0.00 0.00 41.96 38.58 3mcv s TYR 28 CO 0.00 -0.92 0.72 1.03 -1.11 0.00 0.00 175.55 175.27 3mcv s ARG 29 N -2.72 4.22 -0.02 -0.62 0.52 -0.23 -4.18 118.95 115.91 3mcv s ARG 29 Ca 0.62 0.83 0.03 0.00 -0.52 0.00 0.00 55.73 56.69 3mcv s ARG 29 Cb -0.23 -2.84 -0.00 0.00 0.52 0.00 0.00 34.95 32.41 3mcv s ARG 29 CO 0.28 0.37 -0.11 0.14 0.02 0.00 0.00 175.30 176.01 3mcv s VAL 30 N -1.57 0.89 -0.31 3.52 -7.23 -0.05 -0.44 120.40 115.21 3mcv s VAL 30 Ca 0.44 -0.44 -0.16 0.00 -1.81 0.00 0.00 61.98 60.01 3mcv s VAL 30 Cb -0.16 -0.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.99 3mcv s VAL 30 CO 0.21 0.26 0.41 -0.69 -0.31 0.00 0.00 175.10 174.98 3mcv s VAL 31 N 0.01 5.13 -0.64 1.32 1.01 0.55 -1.59 120.40 126.20 3mcv s VAL 31 Ca -0.00 0.35 -0.19 0.00 0.00 0.00 0.00 61.98 62.14 3mcv s VAL 31 Cb -0.07 -3.81 0.11 0.00 0.00 0.00 0.00 36.38 32.61 3mcv s VAL 31 CO 0.00 -0.02 0.76 -0.63 0.00 0.00 0.00 175.10 175.21 3mcv s ILE 32 N 2.14 4.82 0.28 2.22 1.01 0.51 -1.83 121.20 130.35 3mcv s ILE 32 Ca 0.15 -1.08 -0.24 0.00 0.00 0.00 0.00 60.65 59.48 3mcv s ILE 32 Cb -0.16 -4.53 -0.09 0.00 0.01 0.00 0.00 42.46 37.69 3mcv s ILE 32 CO 0.11 -1.17 0.85 -2.28 0.00 0.00 0.00 174.94 172.45 3mcv s HIS 33 N 2.63 3.68 0.12 3.97 5.65 -0.80 -1.31 115.29 129.24 3mcv s HIS 33 Ca 0.14 1.62 -0.09 0.00 0.25 0.00 0.00 55.06 56.99 3mcv s HIS 33 Cb -0.21 -2.80 -0.01 0.00 -1.18 0.00 0.00 32.58 28.38 3mcv s HIS 33 CO 0.04 0.27 0.23 1.52 -0.65 0.00 0.00 174.74 176.15 3mcv s TYR 34 N -1.57 0.28 0.00 3.88 -0.85 -0.44 -0.93 117.35 117.71 3mcv s TYR 34 Ca 0.47 -0.68 0.00 0.00 -0.52 0.00 0.00 57.07 56.34 3mcv s TYR 34 Cb -0.18 -0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.09 3mcv s TYR 34 CO 0.23 -0.62 0.00 1.58 -1.52 0.00 0.00 175.55 175.22 3mcv n HIS 35 N -0.13 0.00 0.26 -3.49 -0.00 -1.26 -0.93 115.22 109.66 3mcv n HIS 35 Ca -0.11 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.72 3mcv n HIS 35 Cb 0.63 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.52 3mcv n HIS 35 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3mcv n ASN 36 N -2.31 0.39 -3.29 0.26 3.02 -1.26 -4.72 115.26 107.35 3mcv n ASN 36 Ca 0.00 -0.12 -0.38 0.00 -0.03 0.00 0.00 54.58 54.05 3mcv n ASN 36 Cb 0.00 1.38 -0.00 0.00 -0.61 0.00 0.00 39.78 40.55 3mcv n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3mcv n SER 37 N -2.17 7.50 -0.08 6.41 7.64 -1.26 -4.75 113.62 126.91 3mcv n SER 37 Ca -0.01 -3.42 -0.08 0.00 1.01 0.00 0.00 58.87 56.37 3mcv n SER 37 Cb 0.51 -1.24 -0.01 0.00 -1.01 0.00 0.00 64.21 62.46 3mcv n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mcv h ALA 38 N 4.00 0.38 -0.31 -0.43 0.00 -1.96 -0.80 119.26 120.13 3mcv h ALA 38 Ca 0.58 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.53 3mcv h ALA 38 Cb 0.34 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3mcv h ALA 38 CO 1.28 -0.20 0.07 1.49 0.00 0.00 0.00 179.25 181.89 3mcv h GLU 39 N 0.35 0.18 -0.43 0.00 4.81 -2.00 -0.39 114.58 117.11 3mcv h GLU 39 Ca 0.12 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.19 3mcv h GLU 39 Cb 0.01 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3mcv h GLU 39 CO -0.06 0.12 -0.31 0.00 -0.73 0.00 0.00 179.01 178.03 3mcv h ALA 40 N 1.22 0.64 -0.19 2.92 0.00 -1.87 -0.89 119.26 121.09 3mcv h ALA 40 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3mcv h ALA 40 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3mcv h ALA 40 CO -0.18 0.68 0.13 0.00 0.00 0.00 0.00 179.25 179.87 3mcv h ALA 41 N 0.83 0.25 -0.62 0.00 0.00 -0.81 -1.34 119.26 117.57 3mcv h ALA 41 Ca 0.08 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3mcv h ALA 41 Cb 0.89 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3mcv h ALA 41 CO 0.08 -0.27 0.06 0.28 0.00 0.00 0.00 179.25 179.40 3mcv h VAL 42 N 0.26 1.26 -0.84 0.00 2.07 -1.00 -1.16 116.25 116.84 3mcv h VAL 42 Ca 0.07 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.55 3mcv h VAL 42 Cb -0.02 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3mcv h VAL 42 CO -0.01 0.39 0.55 -1.28 0.02 0.00 0.00 177.57 177.24 3mcv h SER 43 N 0.96 0.94 -0.15 0.57 0.87 -0.91 0.21 113.55 116.04 3mcv h SER 43 Ca 0.18 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3mcv h SER 43 Cb 0.47 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3mcv h SER 43 CO 0.02 0.67 0.02 0.25 -0.53 0.00 0.00 176.83 177.26 3mcv h LEU 44 N 1.11 0.24 -0.52 2.23 5.85 -1.01 -1.87 115.31 121.34 3mcv h LEU 44 Ca 0.32 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.85 3mcv h LEU 44 Cb -0.09 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 3mcv h LEU 44 CO -0.08 0.44 0.19 0.00 -0.34 0.00 0.00 178.44 178.64 3mcv h ALA 45 N 0.81 0.64 -0.57 1.25 0.00 -0.81 -0.35 119.26 120.23 3mcv h ALA 45 Ca 0.05 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3mcv h ALA 45 Cb 0.30 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3mcv h ALA 45 CO 0.00 -0.21 0.29 -0.44 0.00 0.00 0.00 179.25 178.90 3mcv h ASP 46 N 0.37 0.41 -0.45 0.00 3.32 -0.50 0.18 116.42 119.75 3mcv h ASP 46 Ca 0.25 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 3mcv h ASP 46 Cb 0.27 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3mcv h ASP 46 CO -0.25 0.27 0.15 -0.08 -1.72 0.00 0.00 179.24 177.62 3mcv h GLU 47 N 0.55 0.69 -0.38 3.56 4.81 -0.46 -0.95 114.58 122.41 3mcv h GLU 47 Ca 0.26 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 3mcv h GLU 47 Cb 0.18 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3mcv h GLU 47 CO -0.18 0.65 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.42 3mcv h LEU 48 N 0.59 0.88 -1.38 1.64 3.38 -0.67 -2.97 115.31 116.78 3mcv h LEU 48 Ca 0.15 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 3mcv h LEU 48 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3mcv h LEU 48 CO -0.01 1.13 -0.29 0.78 0.09 0.00 0.00 178.44 180.13 3mcv h ASN 49 N 0.65 0.00 -0.76 -0.43 2.35 -0.58 -1.30 115.58 115.50 3mcv h ASN 49 Ca 0.07 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3mcv h ASN 49 Cb 0.83 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.16 3mcv h ASN 49 CO 0.07 0.29 0.40 0.50 -1.65 0.00 0.00 177.43 177.05 3mcv h LYS 50 N 0.00 1.09 -0.08 0.81 3.64 -1.05 -2.68 116.57 118.29 3mcv h LYS 50 Ca -0.00 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 3mcv h LYS 50 Cb 0.60 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3mcv h LYS 50 CO 0.04 0.81 -0.24 0.93 -2.27 0.00 0.00 179.45 178.72 3mcv h GLU 51 N 1.09 0.30 -2.96 1.90 4.39 -1.22 -3.44 114.58 114.64 3mcv h GLU 51 Ca 0.27 -0.22 -0.36 0.00 0.34 0.00 0.00 59.36 59.39 3mcv h GLU 51 Cb 0.06 0.04 -0.38 0.00 -0.10 0.00 0.00 28.75 28.37 3mcv h GLU 51 CO -0.04 0.84 -0.68 1.03 -1.16 0.00 0.00 179.01 179.00 3mcv s ARG 52 N -3.80 0.07 0.32 2.33 0.52 -0.56 -5.13 118.95 112.70 3mcv s ARG 52 Ca -0.14 0.26 -0.29 0.00 -0.52 0.00 0.00 55.73 55.04 3mcv s ARG 52 Cb 0.04 -0.99 -0.12 0.00 0.52 0.00 0.00 34.95 34.39 3mcv s ARG 52 CO 0.76 -0.50 1.33 0.43 0.02 0.00 0.00 175.30 177.33 3mcv n SER 53 N 5.31 2.82 -3.73 0.23 7.64 -1.02 -3.09 113.62 121.77 3mcv n SER 53 Ca -0.05 1.19 -0.26 0.00 1.01 0.00 0.00 58.87 60.76 3mcv n SER 53 Cb 0.50 -1.48 0.06 0.00 -1.01 0.00 0.00 64.21 62.27 3mcv n SER 53 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3mcv n ASN 54 N 1.07 -5.49 -0.15 6.43 4.13 -1.26 -4.89 115.26 115.09 3mcv n ASN 54 Ca 0.06 -0.65 0.02 0.00 1.68 0.00 0.00 54.58 55.69 3mcv n ASN 54 Cb 0.35 -4.53 0.02 0.00 -1.54 0.00 0.00 39.78 34.08 3mcv n ASN 54 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3mcv n THR 55 N -4.84 0.07 -3.77 3.41 -2.24 -1.18 -5.00 114.28 100.73 3mcv n THR 55 Ca 0.01 -0.54 -0.15 0.00 -2.27 0.00 0.00 64.05 61.10 3mcv n THR 55 Cb 0.55 1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.66 3mcv n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mcv s ALA 56 N -0.36 0.05 0.16 6.98 0.00 -1.26 -0.87 121.76 126.47 3mcv s ALA 56 Ca 0.05 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.36 3mcv s ALA 56 Cb 0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 3mcv s ALA 56 CO 0.05 -0.11 -0.07 0.14 0.00 0.00 0.00 175.76 175.77 3mcv s VAL 57 N 1.03 1.05 0.19 0.00 -7.23 -0.62 -4.90 120.40 109.92 3mcv s VAL 57 Ca -0.09 -2.04 0.07 0.00 -1.81 0.00 0.00 61.98 58.12 3mcv s VAL 57 Cb -0.12 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 3mcv s VAL 57 CO -0.03 -0.66 0.05 0.68 -0.31 0.00 0.00 175.10 174.83 3mcv s VAL 58 N -3.41 3.91 -0.12 1.32 -7.23 -1.26 -0.36 120.40 113.25 3mcv s VAL 58 Ca 0.19 -1.43 -0.05 0.00 -1.81 0.00 0.00 61.98 58.88 3mcv s VAL 58 Cb 0.04 -3.01 0.06 0.00 0.56 0.00 0.00 36.38 34.03 3mcv s VAL 58 CO 0.02 -0.18 0.27 0.00 -0.31 0.00 0.00 175.10 174.90 3mcv s GLN 60 N 1.93 3.96 -0.27 0.00 -0.44 -1.26 -1.33 119.66 122.24 3mcv s GLN 60 Ca -0.03 0.10 -0.25 0.00 -2.50 0.00 0.00 55.36 52.68 3mcv s GLN 60 Cb -0.11 -3.31 0.10 0.00 -1.64 0.00 0.00 33.01 28.05 3mcv s GLN 60 CO -0.09 0.50 0.93 0.00 0.50 0.00 0.00 175.29 177.13 3mcv s ALA 61 N -0.32 -1.91 0.03 1.58 0.00 -0.11 -4.95 121.76 116.07 3mcv s ALA 61 Ca 0.18 1.92 -0.30 0.00 0.00 0.00 0.00 51.96 53.75 3mcv s ALA 61 Cb -0.14 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 3mcv s ALA 61 CO 0.06 -0.27 0.98 0.34 0.00 0.00 0.00 175.76 176.86 3mcv s ASP 62 N 0.24 7.40 -0.03 0.00 -1.08 -1.26 -4.15 116.67 117.79 3mcv s ASP 62 Ca 0.02 1.69 0.16 0.00 -0.52 0.00 0.00 52.55 53.91 3mcv s ASP 62 Cb -0.05 -2.57 0.50 0.00 -1.46 0.00 0.00 42.92 39.34 3mcv s ASP 62 CO -0.04 -0.21 1.42 0.18 0.52 0.00 0.00 175.17 177.04 3mcv n LEU 63 N 3.62 3.63 -4.74 -1.34 4.77 -1.26 -4.93 117.00 116.75 3mcv n LEU 63 Ca 0.05 -2.13 -0.42 0.00 -0.03 0.00 0.00 56.01 53.48 3mcv n LEU 63 Cb 0.51 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3mcv n LEU 63 CO 0.52 0.83 1.05 0.41 -1.33 0.00 0.00 177.39 178.87 3mcv n THR 64 N 0.94 1.97 -1.90 -5.08 -1.04 -1.26 -3.05 114.28 104.86 3mcv n THR 64 Ca 0.19 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.05 61.29 3mcv n THR 64 Cb 0.59 -1.81 -0.03 0.00 -1.82 0.00 0.00 70.33 67.26 3mcv n THR 64 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3mcv s ASN 65 N -0.18 6.54 0.27 8.00 2.47 -0.36 -4.68 114.94 126.99 3mcv s ASN 65 Ca 0.54 2.72 -0.19 0.00 0.42 0.00 0.00 52.86 56.34 3mcv s ASN 65 Cb -0.51 -2.61 0.07 0.00 -1.45 0.00 0.00 41.25 36.75 3mcv s ASN 65 CO 0.63 -0.83 0.93 -0.94 -3.72 0.00 0.00 177.10 173.16 3mcv s SER 66 N 0.88 -0.00 0.52 -4.21 1.04 -1.26 -4.84 113.70 105.83 3mcv s SER 66 Ca 0.67 -0.87 0.22 0.00 0.48 0.00 0.00 55.95 56.46 3mcv s SER 66 Cb -0.45 0.65 1.38 0.00 0.10 0.00 0.00 66.02 67.70 3mcv s SER 66 CO 0.36 -1.29 2.10 -0.55 0.98 0.00 0.00 173.24 174.85 3mcv h ASN 67 N 2.00 0.00 0.09 7.02 -1.07 -2.05 -2.84 115.58 118.74 3mcv h ASN 67 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.08 3mcv h ASN 67 Cb 1.23 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.48 3mcv h ASN 67 CO 0.38 0.09 -0.44 1.33 0.07 0.00 0.00 177.43 178.86 3mcv n VAL 68 N -4.03 0.00 -0.23 6.14 0.24 -1.26 -4.52 118.33 114.67 3mcv n VAL 68 Ca -0.02 -0.18 -0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3mcv n VAL 68 Cb 0.18 0.89 0.12 0.00 -1.47 0.00 0.00 33.84 33.56 3mcv n VAL 68 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3mcv h LEU 69 N 1.72 0.48 -0.62 1.34 5.85 -1.77 -0.94 115.31 121.38 3mcv h LEU 69 Ca 0.00 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3mcv h LEU 69 Cb 0.64 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3mcv h LEU 69 CO 0.00 0.30 0.35 -0.65 -0.34 0.00 0.00 178.44 178.10 3mcv h PRO 70 N 0.62 0.65 -0.73 5.25 0.11 -1.79 -0.23 132.00 135.88 3mcv h PRO 70 Ca 0.32 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.33 3mcv h PRO 70 Cb 0.28 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.22 3mcv h PRO 70 CO -0.23 0.43 0.20 0.00 -0.21 0.00 0.00 178.00 178.19 3mcv h ALA 71 N 1.31 0.96 -0.89 -0.75 0.00 -1.73 -0.83 119.26 117.33 3mcv h ALA 71 Ca 0.27 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3mcv h ALA 71 Cb 0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3mcv h ALA 71 CO -0.15 0.67 0.59 0.77 0.00 0.00 0.00 179.25 181.13 3mcv h SER 72 N 1.10 1.02 -0.14 0.00 0.02 -0.59 -1.57 113.55 113.39 3mcv h SER 72 Ca 0.23 -0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 60.97 3mcv h SER 72 Cb 0.35 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 3mcv h SER 72 CO -0.00 0.74 -0.59 0.00 -1.14 0.00 0.00 176.83 175.83 3mcv h GLU 74 N 0.56 1.05 -0.02 0.00 4.81 -0.96 -2.48 114.58 117.53 3mcv h GLU 74 Ca 0.00 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 3mcv h GLU 74 Cb 1.18 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 3mcv h GLU 74 CO 0.12 0.69 -0.67 1.49 -0.73 0.00 0.00 179.01 179.91 3mcv h GLU 75 N 1.08 0.12 -0.28 1.92 4.57 -0.92 0.05 114.58 121.12 3mcv h GLU 75 Ca 0.39 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.46 3mcv h GLU 75 Cb 0.15 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3mcv h GLU 75 CO -0.14 0.74 0.13 0.82 -1.18 0.00 0.00 179.01 179.38 3mcv h ILE 76 N 0.08 1.16 -0.50 2.32 2.04 -0.92 0.16 117.51 121.85 3mcv h ILE 76 Ca -0.01 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.32 3mcv h ILE 76 Cb 1.20 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 3mcv h ILE 76 CO 0.10 0.16 0.02 0.40 0.00 0.00 0.00 178.15 178.83 3mcv h ILE 77 N 0.31 1.26 -0.92 -0.67 1.08 -1.37 -2.67 117.51 114.54 3mcv h ILE 77 Ca 0.09 -1.05 0.08 0.00 -0.39 0.00 0.00 64.86 63.60 3mcv h ILE 77 Cb 0.14 0.95 -0.07 0.00 -3.07 0.00 0.00 36.82 34.77 3mcv h ILE 77 CO -0.01 0.37 0.57 -1.13 -0.69 0.00 0.00 178.15 177.26 3mcv h ASN 78 N 0.74 0.89 -0.21 1.72 -0.00 -0.75 -2.08 115.58 115.89 3mcv h ASN 78 Ca 0.14 0.02 -0.02 0.00 -0.00 0.00 0.00 56.30 56.45 3mcv h ASN 78 Cb 0.49 -0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 38.64 3mcv h ASN 78 CO 0.02 0.54 0.09 0.28 -0.00 0.00 0.00 177.43 178.36 3mcv h SER 79 N 1.01 0.33 -0.22 1.15 0.02 -0.32 0.14 113.55 115.65 3mcv h SER 79 Ca 0.42 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.25 3mcv h SER 79 Cb 0.25 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3mcv h SER 79 CO -0.20 0.32 -0.20 0.00 -1.14 0.00 0.00 176.83 175.61 3mcv h PHE 81 N 0.22 0.95 -0.17 0.00 -1.00 -1.12 -0.11 116.94 115.71 3mcv h PHE 81 Ca 0.04 -0.14 -0.02 0.00 2.81 0.00 0.00 57.97 60.66 3mcv h PHE 81 Cb 0.75 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 3mcv h PHE 81 CO 0.08 0.86 0.04 -0.09 -1.61 0.00 0.00 178.31 177.58 3mcv h ARG 82 N 0.82 0.28 -0.36 1.51 2.43 -0.70 0.18 114.38 118.54 3mcv h ARG 82 Ca 0.16 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 3mcv h ARG 82 Cb 0.48 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3mcv h ARG 82 CO 0.02 0.42 -0.28 0.00 -1.51 0.00 0.00 179.97 178.63 3mcv h ALA 83 N 0.84 0.52 0.00 2.80 0.00 -1.21 -3.40 119.26 118.81 3mcv h ALA 83 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3mcv h ALA 83 Cb 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3mcv h ALA 83 CO 0.00 0.54 -0.05 1.19 0.00 0.00 0.00 179.25 180.94 3mcv n PHE 84 N -4.19 0.00 -0.93 0.00 0.99 -0.06 -5.03 117.46 108.24 3mcv n PHE 84 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 3mcv n PHE 84 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.96 3mcv n PHE 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3mcv n GLY 85 N 0.77 0.61 3.57 1.37 0.00 0.62 -4.96 105.19 107.18 3mcv n GLY 85 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3mcv n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3mcv s ARG 86 N -0.07 0.86 -0.25 1.61 1.70 -1.26 -4.95 118.95 116.59 3mcv s ARG 86 Ca 0.00 -0.37 -0.02 0.00 -0.47 0.00 0.00 55.73 54.87 3mcv s ARG 86 Cb 0.00 0.36 0.12 0.00 -0.57 0.00 0.00 34.95 34.86 3mcv s ARG 86 CO 0.00 -0.38 0.28 0.00 -1.08 0.00 0.00 175.30 174.12 3mcv n ASP 88 N 5.32 0.53 -3.87 0.00 9.92 0.05 -4.95 116.55 123.54 3mcv n ASP 88 Ca -0.04 0.15 -0.17 0.00 -0.53 0.00 0.00 54.79 54.20 3mcv n ASP 88 Cb 0.48 0.45 -0.16 0.00 -0.64 0.00 0.00 41.12 41.26 3mcv n ASP 88 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3mcv s VAL 89 N -2.53 0.29 -0.13 2.53 1.01 -0.99 -1.52 120.40 119.06 3mcv s VAL 89 Ca -0.10 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3mcv s VAL 89 Cb 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 36.12 3mcv s VAL 89 CO 0.81 0.14 -0.21 -0.22 0.00 0.00 0.00 175.10 175.63 3mcv s LEU 90 N 0.61 2.24 -0.29 3.92 2.96 -0.87 -1.01 118.68 126.24 3mcv s LEU 90 Ca -0.07 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 3mcv s LEU 90 Cb -0.10 -1.47 0.05 0.00 0.50 0.00 0.00 46.19 45.17 3mcv s LEU 90 CO -0.01 0.12 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.43 3mcv s VAL 91 N 0.57 2.87 -0.90 1.68 1.01 0.48 -0.67 120.40 125.45 3mcv s VAL 91 Ca -0.12 -1.38 -0.20 0.00 0.00 0.00 0.00 61.98 60.28 3mcv s VAL 91 Cb -0.17 -2.64 0.11 0.00 0.00 0.00 0.00 36.38 33.69 3mcv s VAL 91 CO 0.04 -0.07 1.15 0.20 0.00 0.00 0.00 175.10 176.42 3mcv s ASN 92 N 1.24 6.54 -0.12 3.32 0.01 -0.10 -1.67 114.94 124.16 3mcv s ASN 92 Ca -0.05 -1.80 0.05 0.00 -0.71 0.00 0.00 52.86 50.34 3mcv s ASN 92 Cb -0.19 -2.43 -0.11 0.00 0.41 0.00 0.00 41.25 38.93 3mcv s ASN 92 CO -0.02 -1.18 -0.05 -3.20 -1.51 0.00 0.00 177.10 171.14 3mcv n ASN 93 N 7.04 2.71 -4.68 -1.22 5.15 -1.25 -1.26 115.26 121.74 3mcv n ASN 93 Ca 0.21 -0.04 -0.43 0.00 -0.60 0.00 0.00 54.58 53.71 3mcv n ASN 93 Cb 0.49 0.19 -0.01 0.00 -0.53 0.00 0.00 39.78 39.92 3mcv n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mcv n ALA 94 N -2.69 1.17 -3.60 5.20 0.00 -1.10 -4.89 120.51 114.59 3mcv n ALA 94 Ca -0.21 0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.58 3mcv n ALA 94 Cb 0.79 -2.25 -0.06 0.00 0.00 0.00 0.00 19.45 17.94 3mcv n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mcv s SER 95 N -0.13 -0.78 0.29 0.00 0.15 -1.26 -4.49 113.70 107.48 3mcv s SER 95 Ca 0.60 1.17 -0.25 0.00 0.70 0.00 0.00 55.95 58.17 3mcv s SER 95 Cb -0.60 1.55 -0.09 0.00 -1.71 0.00 0.00 66.02 65.16 3mcv s SER 95 CO 0.58 -0.18 0.88 0.00 1.20 0.00 0.00 173.24 175.73 3mcv s ALA 96 N 1.92 3.27 -0.24 5.45 0.00 -1.26 -5.04 121.76 125.85 3mcv s ALA 96 Ca -0.08 0.43 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 3mcv s ALA 96 Cb -0.06 -3.09 0.13 0.00 0.00 0.00 0.00 23.12 20.10 3mcv s ALA 96 CO -0.18 0.22 0.36 0.12 0.00 0.00 0.00 175.76 176.28 3mcv s PHE 97 N -1.56 -0.76 0.00 0.00 2.19 -1.26 -4.85 117.98 111.74 3mcv s PHE 97 Ca 0.48 0.68 -0.28 0.00 0.33 0.00 0.00 56.93 58.13 3mcv s PHE 97 Cb -0.18 -0.06 0.10 0.00 -1.31 0.00 0.00 43.02 41.57 3mcv s PHE 97 CO 0.23 -0.74 0.86 1.52 1.83 0.00 0.00 175.22 178.92 3mcv s TYR 98 N 2.51 -0.38 0.54 10.12 -0.85 -1.26 -5.16 117.35 122.87 3mcv s TYR 98 Ca 0.12 0.27 -0.20 0.00 -0.52 0.00 0.00 57.07 56.74 3mcv s TYR 98 Cb -0.15 0.53 -0.06 0.00 0.38 0.00 0.00 41.96 42.66 3mcv s TYR 98 CO -0.17 -0.57 1.14 -1.25 -1.52 0.00 0.00 175.55 173.18 3mcv s PRO 99 N -3.03 3.38 -0.42 -3.49 0.04 -1.26 -4.70 135.00 125.51 3mcv s PRO 99 Ca 0.04 1.64 0.04 0.00 0.04 0.00 0.00 61.00 62.76 3mcv s PRO 99 Cb -0.01 -2.04 0.18 0.00 0.04 0.00 0.00 34.50 32.67 3mcv s PRO 99 CO -0.08 -0.84 0.36 0.25 0.04 0.00 0.00 177.00 176.73 3mcv n THR 100 N -1.23 -1.05 -1.74 1.26 -2.24 0.93 -4.99 114.28 105.21 3mcv n THR 100 Ca 0.11 -3.54 -0.40 0.00 -2.27 0.00 0.00 64.05 57.96 3mcv n THR 100 Cb 0.51 -1.70 0.02 0.00 -2.10 0.00 0.00 70.33 67.06 3mcv n THR 100 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3mcv n PRO 101 N 2.67 2.07 0.08 -0.78 -0.02 -1.22 -4.33 135.00 133.47 3mcv n PRO 101 Ca 0.29 0.74 -0.07 0.00 -2.02 0.00 0.00 63.50 62.44 3mcv n PRO 101 Cb 0.48 -2.55 0.06 0.00 -0.02 0.00 0.00 33.50 31.47 3mcv n PRO 101 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3mcv h LEU 102 N 2.08 0.28 -4.45 2.45 3.38 -2.01 -3.51 115.31 113.53 3mcv h LEU 102 Ca -0.50 -0.19 -0.55 0.00 0.09 0.00 0.00 57.88 56.73 3mcv h LEU 102 Cb 1.28 -0.08 -0.42 0.00 0.09 0.00 0.00 40.66 41.53 3mcv h LEU 102 CO 0.60 0.91 -0.80 0.52 0.09 0.00 0.00 178.44 179.76 3mcv n VAL 103 N -3.78 2.24 -1.09 1.22 0.31 -1.26 -5.26 118.33 110.71 3mcv n VAL 103 Ca -0.03 -4.59 0.00 0.00 -0.01 0.00 0.00 64.34 59.71 3mcv n VAL 103 Cb 0.70 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 3mcv n VAL 103 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3mcv n LYS 114 N -0.48 0.00 -1.36 5.55 5.02 -1.26 -5.19 118.16 120.43 3mcv n LYS 114 Ca 0.36 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.34 3mcv n LYS 114 Cb 0.73 -0.40 0.08 0.00 -0.02 0.00 0.00 35.03 35.43 3mcv n LYS 114 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mcv s THR 115 N -1.21 3.18 0.24 -0.18 -4.23 -1.26 -4.85 115.64 107.33 3mcv s THR 115 Ca 0.00 0.43 -0.06 0.00 -1.18 0.00 0.00 61.69 60.88 3mcv s THR 115 Cb 0.00 -2.90 0.21 0.00 1.34 0.00 0.00 72.50 71.15 3mcv s THR 115 CO 0.00 -0.45 1.87 0.58 -0.54 0.00 0.00 174.62 176.07 3mcv h VAL 116 N -0.84 1.09 0.00 2.29 2.07 -2.04 -1.81 116.25 117.02 3mcv h VAL 116 Ca -0.44 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 3mcv h VAL 116 Cb 1.24 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3mcv h VAL 116 CO 0.51 0.19 -0.23 -0.33 0.02 0.00 0.00 177.57 177.73 3mcv h GLU 117 N 1.03 0.00 -0.30 1.57 4.39 -1.99 0.85 114.58 120.13 3mcv h GLU 117 Ca 0.36 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.94 3mcv h GLU 117 Cb 0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3mcv h GLU 117 CO -0.14 0.23 -0.27 1.15 -1.16 0.00 0.00 179.01 178.81 3mcv h THR 118 N 0.00 1.30 -0.51 1.13 2.02 -1.76 -1.43 112.91 113.66 3mcv h THR 118 Ca -0.00 -1.43 0.04 0.00 0.77 0.00 0.00 66.41 65.79 3mcv h THR 118 Cb 0.76 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.68 3mcv h THR 118 CO 0.03 0.46 0.26 1.56 0.37 0.00 0.00 175.52 178.20 3mcv h GLN 119 N 0.46 0.50 -0.28 6.66 4.20 -0.76 0.04 115.11 125.92 3mcv h GLN 119 Ca 0.05 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.78 3mcv h GLN 119 Cb 0.84 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.46 3mcv h GLN 119 CO 0.07 0.33 -0.00 0.28 -0.67 0.00 0.00 178.83 178.84 3mcv h VAL 120 N 0.51 0.79 -0.61 -0.54 2.07 -0.82 -0.47 116.25 117.18 3mcv h VAL 120 Ca 0.22 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 3mcv h VAL 120 Cb 0.12 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3mcv h VAL 120 CO -0.15 0.02 0.38 0.00 0.02 0.00 0.00 177.57 177.83 3mcv h ALA 121 N 1.24 0.78 0.00 1.67 0.00 -0.58 -0.74 119.26 121.63 3mcv h ALA 121 Ca 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mcv h ALA 121 Cb 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3mcv h ALA 121 CO -0.23 0.25 -0.00 0.93 0.00 0.00 0.00 179.25 180.21 3mcv h GLU 122 N 0.83 -0.00 -0.08 0.00 5.08 -0.90 -0.11 114.58 119.41 3mcv h GLU 122 Ca 0.22 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.45 3mcv h GLU 122 Cb -0.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.22 3mcv h GLU 122 CO -0.04 0.67 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.10 3mcv h LEU 123 N -0.67 0.54 0.06 1.33 3.38 -1.07 -0.86 115.31 118.02 3mcv h LEU 123 Ca -0.00 -0.66 -0.25 0.00 0.09 0.00 0.00 57.88 57.05 3mcv h LEU 123 Cb 0.67 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3mcv h LEU 123 CO 0.00 1.12 -1.15 0.40 0.09 0.00 0.00 178.44 178.90 3mcv h ILE 124 N 0.00 1.55 0.68 1.22 1.08 -1.29 -2.80 117.51 117.96 3mcv h ILE 124 Ca -0.04 -3.11 -0.03 0.00 -0.39 0.00 0.00 64.86 61.29 3mcv h ILE 124 Cb 1.12 2.88 0.01 0.00 -3.07 0.00 0.00 36.82 37.76 3mcv h ILE 124 CO 0.10 0.90 -0.33 1.23 -0.69 0.00 0.00 178.15 179.36 3mcv h GLY 125 N 1.94 -0.96 0.92 5.37 0.00 -1.09 -1.27 103.07 107.98 3mcv h GLY 125 Ca -0.10 0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 3mcv h GLY 125 CO 0.18 -0.35 0.12 -0.91 0.00 0.00 0.00 176.54 175.58 3mcv h THR 126 N -1.07 1.20 0.00 4.70 1.35 -1.07 0.17 112.91 118.19 3mcv h THR 126 Ca -0.09 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3mcv h THR 126 Cb 0.74 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3mcv h THR 126 CO 0.15 0.22 -0.07 0.78 -0.25 0.00 0.00 175.52 176.35 3mcv h ASN 127 N 0.39 0.00 0.00 5.36 2.35 -1.58 -3.40 115.58 118.70 3mcv h ASN 127 Ca 0.11 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3mcv h ASN 127 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3mcv h ASN 127 CO -0.01 0.00 -0.12 0.00 -1.65 0.00 0.00 177.43 175.66 3mcv n ALA 128 N -2.04 3.00 -0.05 -0.83 0.00 -0.68 -4.44 120.51 115.47 3mcv n ALA 128 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 3mcv n ALA 128 Cb 0.51 0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 3mcv n ALA 128 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3mcv h ILE 129 N 0.00 1.37 -0.27 0.00 2.04 -1.05 -1.09 117.51 118.50 3mcv h ILE 129 Ca 0.00 -1.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.36 3mcv h ILE 129 Cb 0.12 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3mcv h ILE 129 CO 0.00 0.44 0.16 0.00 0.00 0.00 0.00 178.15 178.75 3mcv h ALA 130 N 0.55 0.35 -0.86 1.87 0.00 -0.92 -0.39 119.26 119.86 3mcv h ALA 130 Ca 0.01 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.02 3mcv h ALA 130 Cb 0.83 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 3mcv h ALA 130 CO 0.06 -0.14 0.44 -1.35 0.00 0.00 0.00 179.25 178.25 3mcv h PRO 131 N 0.34 0.59 -0.17 0.00 0.11 -1.75 0.18 132.00 131.32 3mcv h PRO 131 Ca 0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3mcv h PRO 131 Cb 0.03 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 3mcv h PRO 131 CO -0.02 0.39 0.11 0.35 -0.21 0.00 0.00 178.00 178.62 3mcv h PHE 132 N 0.61 0.21 -0.45 0.65 3.57 -0.48 0.05 116.94 121.11 3mcv h PHE 132 Ca 0.48 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.84 3mcv h PHE 132 Cb 0.70 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3mcv h PHE 132 CO -0.09 0.14 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.78 3mcv h LEU 133 N 0.22 1.01 -0.89 0.59 3.38 -0.44 -0.12 115.31 119.06 3mcv h LEU 133 Ca 0.06 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 3mcv h LEU 133 Cb -0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3mcv h LEU 133 CO -0.01 1.21 0.17 -0.07 0.09 0.00 0.00 178.44 179.82 3mcv h LEU 134 N 0.82 0.92 -0.30 1.67 3.38 -0.61 -0.68 115.31 120.51 3mcv h LEU 134 Ca 0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3mcv h LEU 134 Cb 0.86 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3mcv h LEU 134 CO 0.08 0.89 0.14 0.74 0.09 0.00 0.00 178.44 180.38 3mcv h THR 135 N 0.94 1.16 0.13 0.22 2.02 -0.50 0.82 112.91 117.71 3mcv h THR 135 Ca 0.20 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 66.94 3mcv h THR 135 Cb 0.32 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3mcv h THR 135 CO -0.00 0.16 -0.14 -0.03 0.37 0.00 0.00 175.52 175.88 3mcv h MET 136 N 0.36 -0.30 -0.82 6.66 1.85 -0.76 -0.87 114.93 121.05 3mcv h MET 136 Ca 0.10 0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.18 3mcv h MET 136 Cb 0.13 0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.19 3mcv h MET 136 CO -0.01 -0.20 0.37 0.77 -0.40 0.00 0.00 176.91 177.44 3mcv h SER 137 N -0.31 1.09 -0.04 1.39 0.02 -1.03 0.58 113.55 115.25 3mcv h SER 137 Ca 0.01 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3mcv h SER 137 Cb 0.30 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3mcv h SER 137 CO -0.05 0.94 -0.03 0.15 -1.14 0.00 0.00 176.83 176.70 3mcv h PHE 138 N 1.17 -0.08 -0.42 3.45 3.57 -0.68 -2.46 116.94 121.49 3mcv h PHE 138 Ca 0.28 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 3mcv h PHE 138 Cb 0.15 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3mcv h PHE 138 CO 0.02 -0.05 -0.06 0.00 -2.23 0.00 0.00 178.31 175.98 3mcv h ALA 139 N 0.99 0.57 -0.79 2.41 0.00 -0.89 -3.04 119.26 118.51 3mcv h ALA 139 Ca 0.03 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3mcv h ALA 139 Cb 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3mcv h ALA 139 CO -0.06 0.41 0.52 0.37 0.00 0.00 0.00 179.25 180.49 3mcv h GLN 140 N 0.60 0.95 0.00 0.00 5.75 -0.87 -2.22 115.11 119.33 3mcv h GLN 140 Ca 0.11 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3mcv h GLN 140 Cb 0.58 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.91 3mcv h GLN 140 CO 0.03 0.63 0.00 0.54 -2.65 0.00 0.00 178.83 177.38 3mcv n ARG 141 N -4.45 0.05 -1.88 1.69 5.12 -0.93 -5.09 116.66 111.16 3mcv n ARG 141 Ca 0.10 0.11 -0.21 0.00 -1.93 0.00 0.00 57.85 55.92 3mcv n ARG 141 Cb 0.11 -1.56 0.13 0.00 -1.16 0.00 0.00 32.46 29.98 3mcv n ARG 141 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3mcv n GLN 142 N -1.64 -0.46 0.00 5.56 1.13 -0.84 -5.06 117.38 116.07 3mcv n GLN 142 Ca 0.06 -1.94 0.00 0.00 -1.94 0.00 0.00 57.00 53.18 3mcv n GLN 142 Cb 0.31 -0.79 0.00 0.00 0.11 0.00 0.00 30.24 29.86 3mcv n GLN 142 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3mcv n SER 152 N -3.28 0.00 -3.28 1.08 3.41 -1.26 -5.03 113.62 105.26 3mcv n SER 152 Ca 0.13 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.51 3mcv n SER 152 Cb 0.47 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.34 3mcv n SER 152 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3mcv n ASN 153 N 0.00 -0.86 -4.74 4.04 5.15 -1.26 -5.11 115.26 112.47 3mcv n ASN 153 Ca 0.00 -2.48 -0.39 0.00 -0.60 0.00 0.00 54.58 51.11 3mcv n ASN 153 Cb 0.00 -0.22 -0.05 0.00 -0.53 0.00 0.00 39.78 38.97 3mcv n ASN 153 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3mcv s LEU 154 N 0.05 4.37 0.18 1.20 1.43 -1.26 -4.81 118.68 119.85 3mcv s LEU 154 Ca 0.33 1.18 -0.21 0.00 -1.03 0.00 0.00 54.13 54.39 3mcv s LEU 154 Cb 0.05 -3.00 0.05 0.00 0.03 0.00 0.00 46.19 43.32 3mcv s LEU 154 CO -0.17 0.01 0.59 -0.94 0.23 0.00 0.00 176.35 176.07 3mcv s SER 155 N 0.24 -0.45 -0.04 2.29 1.04 -0.57 -2.26 113.70 113.95 3mcv s SER 155 Ca 0.34 -0.20 0.06 0.00 0.48 0.00 0.00 55.95 56.63 3mcv s SER 155 Cb -0.18 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 3mcv s SER 155 CO 0.18 -1.04 -0.21 -0.63 0.98 0.00 0.00 173.24 172.52 3mcv s ILE 156 N -3.80 1.72 -0.14 -1.02 1.01 0.10 -2.05 121.20 117.03 3mcv s ILE 156 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.80 3mcv s ILE 156 Cb -0.02 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 41.02 3mcv s ILE 156 CO -0.08 0.49 -0.14 -0.69 0.00 0.00 0.00 174.94 174.52 3mcv s VAL 157 N -0.20 1.50 -0.21 2.92 1.01 0.16 -1.13 120.40 124.45 3mcv s VAL 157 Ca 0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 3mcv s VAL 157 Cb -0.11 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 3mcv s VAL 157 CO 0.02 0.45 0.16 0.20 0.00 0.00 0.00 175.10 175.92 3mcv s ASN 158 N 1.38 6.20 -0.55 3.32 0.01 0.12 -0.92 114.94 124.50 3mcv s ASN 158 Ca 0.02 0.22 -0.27 0.00 -0.71 0.00 0.00 52.86 52.12 3mcv s ASN 158 Cb -0.13 -2.10 0.03 0.00 0.41 0.00 0.00 41.25 39.46 3mcv s ASN 158 CO -0.08 0.13 1.08 -0.76 -1.51 0.00 0.00 177.10 175.96 3mcv s LEU 159 N 0.61 3.74 0.00 0.60 2.01 -0.39 -1.40 118.68 123.86 3mcv s LEU 159 Ca 0.09 -0.02 0.00 0.00 0.01 0.00 0.00 54.13 54.21 3mcv s LEU 159 Cb -0.12 -3.09 0.00 0.00 0.01 0.00 0.00 46.19 42.99 3mcv s LEU 159 CO 0.01 -1.34 0.00 0.00 1.01 0.00 0.00 176.35 176.03 3mcv s ASP 161 N -1.00 -0.76 0.41 0.00 -1.08 -1.26 -4.27 116.67 108.71 3mcv s ASP 161 Ca 0.00 1.22 0.29 0.00 -0.52 0.00 0.00 52.55 53.54 3mcv s ASP 161 Cb 0.00 1.87 1.38 0.00 -1.46 0.00 0.00 42.92 44.71 3mcv s ASP 161 CO 0.00 -0.23 1.88 0.00 0.52 0.00 0.00 175.17 177.34 3mcv h ALA 162 N 8.07 1.00 -0.64 3.66 0.00 -0.96 -2.87 119.26 127.52 3mcv h ALA 162 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3mcv h ALA 162 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3mcv h ALA 162 CO 0.13 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.05 3mcv n MET 163 N -2.59 4.05 0.19 0.00 2.81 -1.26 -4.58 117.12 115.74 3mcv n MET 163 Ca -0.00 -2.98 0.16 0.00 -1.81 0.00 0.00 57.70 53.07 3mcv n MET 163 Cb 0.17 -2.00 0.80 0.00 -0.71 0.00 0.00 33.22 31.48 3mcv n MET 163 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 3mcv h VAL 164 N 4.14 0.56 -0.03 2.03 -1.51 -1.91 -0.40 116.25 119.14 3mcv h VAL 164 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3mcv h VAL 164 Cb 1.60 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 3mcv h VAL 164 CO 0.30 0.00 -0.03 0.47 -1.23 0.00 0.00 177.57 177.08 3mcv n ASP 165 N -3.95 2.90 -3.18 4.19 8.00 -1.26 -4.31 116.55 118.93 3mcv n ASP 165 Ca 0.02 -1.95 -0.21 0.00 0.71 0.00 0.00 54.79 53.35 3mcv n ASP 165 Cb 0.32 0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.41 3mcv n ASP 165 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mcv n GLN 166 N 1.23 1.20 -1.64 -1.24 6.02 -0.19 -5.13 117.38 117.64 3mcv n GLN 166 Ca 0.14 -3.55 -0.32 0.00 -0.01 0.00 0.00 57.00 53.26 3mcv n GLN 166 Cb 0.59 -1.64 0.05 0.00 1.02 0.00 0.00 30.24 30.25 3mcv n GLN 166 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3mcv s PRO 167 N -2.16 2.81 0.30 -1.09 0.04 -1.04 -4.89 135.00 128.97 3mcv s PRO 167 Ca 0.39 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 3mcv s PRO 167 Cb 0.28 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.73 3mcv s PRO 167 CO -0.09 -1.21 1.49 0.00 0.04 0.00 0.00 177.00 177.23 3mcv n MET 169 N 1.62 2.62 -1.23 0.00 1.56 -1.26 -2.68 117.12 117.75 3mcv n MET 169 Ca 0.08 0.94 -0.08 0.00 -0.27 0.00 0.00 57.70 58.36 3mcv n MET 169 Cb 0.36 -2.72 -0.03 0.00 2.15 0.00 0.00 33.22 32.97 3mcv n MET 169 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3mcv n ALA 170 N 2.59 -0.12 -1.78 -5.12 0.00 -1.26 -4.94 120.51 109.89 3mcv n ALA 170 Ca 0.11 0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.37 3mcv n ALA 170 Cb 0.35 -1.14 0.04 0.00 0.00 0.00 0.00 19.45 18.71 3mcv n ALA 170 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3mcv n PHE 171 N -2.67 3.05 -0.15 0.00 3.01 -1.09 -0.05 117.46 119.55 3mcv n PHE 171 Ca -0.08 -2.66 -0.08 0.00 1.01 0.00 0.00 57.45 55.64 3mcv n PHE 171 Cb 0.31 -0.86 0.00 0.00 -0.01 0.00 0.00 39.48 38.93 3mcv n PHE 171 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3mcv h SER 172 N 2.25 0.58 -0.46 4.37 4.64 -1.84 -1.12 113.55 121.97 3mcv h SER 172 Ca 0.48 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.64 3mcv h SER 172 Cb 1.00 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 3mcv h SER 172 CO 1.19 0.53 0.10 -0.07 -0.87 0.00 0.00 176.83 177.71 3mcv h LEU 173 N 0.58 0.70 -0.27 5.97 3.38 -1.89 0.22 115.31 124.01 3mcv h LEU 173 Ca 0.16 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.93 3mcv h LEU 173 Cb 0.10 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3mcv h LEU 173 CO -0.02 0.76 0.03 0.22 0.09 0.00 0.00 178.44 179.52 3mcv h TYR 174 N 0.61 0.05 -0.77 1.13 3.20 -1.80 -1.07 116.97 118.32 3mcv h TYR 174 Ca 0.14 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 3mcv h TYR 174 Cb 0.34 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 3mcv h TYR 174 CO 0.02 -0.01 0.29 -0.91 -1.64 0.00 0.00 178.16 175.92 3mcv h ASN 175 N 0.12 1.07 -0.66 -2.11 2.35 -0.91 -0.50 115.58 114.94 3mcv h ASN 175 Ca 0.13 -0.18 0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3mcv h ASN 175 Cb 0.14 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 3mcv h ASN 175 CO -0.18 0.97 0.39 0.24 -1.65 0.00 0.00 177.43 177.19 3mcv h MET 176 N 1.12 0.73 -0.54 0.81 2.86 -0.27 0.05 114.93 119.69 3mcv h MET 176 Ca 0.25 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3mcv h MET 176 Cb 0.24 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 3mcv h MET 176 CO -0.02 0.48 0.33 0.78 1.06 0.00 0.00 176.91 179.55 3mcv h GLY 177 N 0.75 0.78 1.46 8.32 0.00 -0.54 0.05 103.07 113.89 3mcv h GLY 177 Ca 0.28 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 47.14 3mcv h GLY 177 CO -0.13 0.31 -0.51 0.50 0.00 0.00 0.00 176.54 176.71 3mcv h LYS 178 N 0.73 0.58 -0.36 4.80 1.79 -0.78 -1.31 116.57 122.01 3mcv h LYS 178 Ca 0.19 -0.34 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 3mcv h LYS 178 Cb -0.03 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 3mcv h LYS 178 CO -0.04 0.95 0.20 0.45 -1.08 0.00 0.00 179.45 179.93 3mcv h HIS 179 N 0.45 0.48 -0.94 -1.35 3.86 -0.82 -1.90 115.15 114.93 3mcv h HIS 179 Ca 0.02 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.31 3mcv h HIS 179 Cb 1.04 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 29.29 3mcv h HIS 179 CO 0.04 0.38 0.60 0.00 0.86 0.00 0.00 177.93 179.81 3mcv h ALA 180 N 1.07 1.55 -0.29 2.45 0.00 -0.72 -1.70 119.26 121.62 3mcv h ALA 180 Ca 0.13 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3mcv h ALA 180 Cb 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3mcv h ALA 180 CO -0.02 0.26 -0.19 1.25 0.00 0.00 0.00 179.25 180.55 3mcv h LEU 181 N 0.98 0.52 -0.22 0.00 5.85 -0.86 0.11 115.31 121.69 3mcv h LEU 181 Ca 0.43 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 59.02 3mcv h LEU 181 Cb 0.35 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3mcv h LEU 181 CO -0.19 0.72 0.05 0.58 -0.34 0.00 0.00 178.44 179.27 3mcv h VAL 182 N 0.47 0.91 -0.62 1.05 2.07 -0.56 -0.69 116.25 118.89 3mcv h VAL 182 Ca 0.08 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.61 3mcv h VAL 182 Cb 0.60 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 3mcv h VAL 182 CO 0.04 0.03 0.32 1.23 0.02 0.00 0.00 177.57 179.21 3mcv h GLY 183 N 0.14 0.90 0.99 2.17 0.00 -0.69 -1.66 103.07 104.92 3mcv h GLY 183 Ca 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3mcv h GLY 183 CO -0.12 0.11 0.22 -2.00 0.00 0.00 0.00 176.54 174.75 3mcv h LEU 184 N 0.59 0.79 -0.49 3.11 5.85 -0.60 0.18 115.31 124.73 3mcv h LEU 184 Ca 0.29 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.89 3mcv h LEU 184 Cb 0.22 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3mcv h LEU 184 CO -0.20 0.74 0.22 0.74 -0.34 0.00 0.00 178.44 179.60 3mcv h THR 185 N 0.78 0.91 0.15 1.05 2.02 -0.48 0.19 112.91 117.52 3mcv h THR 185 Ca 0.19 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3mcv h THR 185 Cb 0.21 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3mcv h THR 185 CO -0.01 0.08 -0.07 1.56 0.37 0.00 0.00 175.52 177.44 3mcv h GLN 186 N 0.43 -0.19 -0.50 6.66 4.20 -1.15 -1.11 115.11 123.45 3mcv h GLN 186 Ca 0.22 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 3mcv h GLN 186 Cb 0.18 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3mcv h GLN 186 CO -0.19 0.18 0.31 0.77 -0.67 0.00 0.00 178.83 179.23 3mcv h SER 187 N -0.60 0.59 -0.16 1.46 0.02 -0.79 -1.64 113.55 112.44 3mcv h SER 187 Ca -0.02 -0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.74 3mcv h SER 187 Cb 0.46 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3mcv h SER 187 CO 0.03 0.46 -0.41 0.00 -1.14 0.00 0.00 176.83 175.78 3mcv h ALA 188 N 1.15 0.75 -0.42 3.77 0.00 -0.71 -1.88 119.26 121.92 3mcv h ALA 188 Ca 0.18 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.69 3mcv h ALA 188 Cb -0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3mcv h ALA 188 CO -0.03 0.66 0.15 0.00 0.00 0.00 0.00 179.25 180.03 3mcv h ALA 189 N 0.98 0.50 -0.24 0.00 0.00 -0.88 0.10 119.26 119.72 3mcv h ALA 189 Ca 0.05 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3mcv h ALA 189 Cb 0.94 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3mcv h ALA 189 CO 0.09 -0.24 0.15 1.25 0.00 0.00 0.00 179.25 180.49 3mcv h LEU 190 N 0.32 0.24 0.00 0.00 5.85 -1.20 -2.33 115.31 118.20 3mcv h LEU 190 Ca 0.19 -0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.70 3mcv h LEU 190 Cb 0.18 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3mcv h LEU 190 CO -0.19 0.18 -1.01 -0.08 -0.34 0.00 0.00 178.44 177.00 3mcv h GLU 191 N 0.30 0.00 -0.01 1.25 4.81 -1.05 -3.26 114.58 116.62 3mcv h GLU 191 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3mcv h GLU 191 Cb -0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3mcv h GLU 191 CO -0.03 0.99 -0.55 1.28 -0.73 0.00 0.00 179.01 179.97 3mcv n LEU 192 N -3.35 1.28 -0.23 1.64 4.77 -0.00 -4.34 117.00 116.77 3mcv n LEU 192 Ca -0.00 -0.44 0.02 0.00 -0.03 0.00 0.00 56.01 55.55 3mcv n LEU 192 Cb 0.94 -0.07 0.14 0.00 -2.33 0.00 0.00 43.42 42.10 3mcv n LEU 192 CO 0.47 0.26 1.03 0.00 -1.33 0.00 0.00 177.39 177.81 3mcv h ALA 193 N 3.48 0.93 -0.06 -1.18 0.00 -1.46 -0.63 119.26 120.34 3mcv h ALA 193 Ca 0.00 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3mcv h ALA 193 Cb 0.59 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3mcv h ALA 193 CO 0.00 -0.13 0.12 -1.35 0.00 0.00 0.00 179.25 177.88 3mcv h PRO 194 N 0.50 0.00 -0.05 0.00 0.11 -1.80 -0.35 132.00 130.41 3mcv h PRO 194 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3mcv h PRO 194 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3mcv h PRO 194 CO -0.31 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.14 3mcv n TYR 195 N -3.45 0.05 -1.13 0.65 4.02 -0.27 -4.93 117.16 112.11 3mcv n TYR 195 Ca -0.01 -0.03 -0.04 0.00 -0.01 0.00 0.00 57.90 57.81 3mcv n TYR 195 Cb 0.20 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.50 3mcv n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mcv n GLY 196 N 1.18 0.70 3.53 2.72 0.00 -0.14 -5.01 105.19 108.18 3mcv n GLY 196 Ca 0.18 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 3mcv n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mcv s ILE 197 N -2.04 5.12 0.33 -0.61 1.01 -1.06 -4.24 121.20 119.71 3mcv s ILE 197 Ca 0.00 0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.49 3mcv s ILE 197 Cb 0.00 -3.90 -0.09 0.00 0.01 0.00 0.00 42.46 38.48 3mcv s ILE 197 CO 0.00 -0.20 0.79 -0.13 0.00 0.00 0.00 174.94 175.40 3mcv s ARG 198 N 2.12 4.10 -0.15 2.79 0.52 -0.96 -3.79 118.95 123.59 3mcv s ARG 198 Ca 0.13 0.81 -0.03 0.00 -0.52 0.00 0.00 55.73 56.12 3mcv s ARG 198 Cb -0.16 -2.45 0.05 0.00 0.52 0.00 0.00 34.95 32.90 3mcv s ARG 198 CO 0.12 0.15 0.06 0.08 0.02 0.00 0.00 175.30 175.74 3mcv s VAL 199 N -1.95 0.18 0.30 3.52 1.01 -1.26 -0.72 120.40 121.48 3mcv s VAL 199 Ca 0.54 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.34 3mcv s VAL 199 Cb -0.11 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 3mcv s VAL 199 CO 0.17 -0.14 0.11 0.20 0.00 0.00 0.00 175.10 175.44 3mcv s ASN 200 N 2.02 1.68 0.13 3.32 0.01 -0.28 0.02 114.94 121.84 3mcv s ASN 200 Ca 0.02 -1.45 0.05 0.00 -0.71 0.00 0.00 52.86 50.76 3mcv s ASN 200 Cb -0.15 0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.67 3mcv s ASN 200 CO -0.08 -0.76 -0.11 -0.83 -1.51 0.00 0.00 177.10 173.81 3mcv s GLY 201 N -3.39 1.00 -0.12 0.66 0.00 0.29 -0.70 107.32 105.06 3mcv s GLY 201 Ca 0.36 -1.36 0.02 0.00 0.00 0.00 0.00 44.72 43.73 3mcv s GLY 201 CO 0.15 -1.44 -0.16 0.14 0.00 0.00 0.00 173.10 171.79 3mcv s VAL 202 N -2.80 1.59 -0.50 1.40 1.01 -0.49 -0.96 120.40 119.65 3mcv s VAL 202 Ca 0.12 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3mcv s VAL 202 Cb -0.01 -1.45 0.13 0.00 0.00 0.00 0.00 36.38 35.06 3mcv s VAL 202 CO 0.01 0.46 0.28 0.00 0.00 0.00 0.00 175.10 175.85 3mcv s ALA 203 N 1.04 3.31 0.66 5.51 0.00 0.41 -0.50 121.76 132.18 3mcv s ALA 203 Ca -0.05 -2.90 -0.15 0.00 0.00 0.00 0.00 51.96 48.87 3mcv s ALA 203 Cb -0.15 -2.43 -0.00 0.00 0.00 0.00 0.00 23.12 20.54 3mcv s ALA 203 CO -0.03 -1.93 1.10 -2.14 0.00 0.00 0.00 175.76 172.76 3mcv s PRO 204 N 0.50 2.82 0.00 0.00 0.02 -1.26 -0.92 135.00 136.16 3mcv s PRO 204 Ca 0.13 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.51 3mcv s PRO 204 Cb -0.22 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.35 3mcv s PRO 204 CO -0.04 -1.23 0.00 0.41 -0.33 0.00 0.00 177.00 175.82 3mcv n GLY 205 N -0.61 0.08 3.45 0.52 0.00 -1.19 -0.57 105.19 106.86 3mcv n GLY 205 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3mcv n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mcv s VAL 206 N 0.38 4.53 0.00 1.61 0.11 -1.26 -4.84 120.40 120.93 3mcv s VAL 206 Ca 0.00 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 3mcv s VAL 206 Cb 0.00 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.60 3mcv s VAL 206 CO 0.00 0.16 0.00 -0.24 -3.33 0.00 0.00 175.10 171.69 3mcv n SER 207 N 4.96 0.00 -4.67 3.54 2.88 -1.26 -1.04 113.62 118.03 3mcv n SER 207 Ca -0.15 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 56.95 3mcv n SER 207 Cb 0.50 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.92 3mcv n SER 207 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3mcv n LEU 208 N 0.00 3.83 -4.81 2.46 4.77 -1.23 -4.59 117.00 117.43 3mcv n LEU 208 Ca 0.00 0.95 -0.32 0.00 -0.03 0.00 0.00 56.01 56.60 3mcv n LEU 208 Cb 0.00 -1.46 0.02 0.00 -2.33 0.00 0.00 43.42 39.65 3mcv n LEU 208 CO 0.00 0.08 0.71 -0.76 -1.33 0.00 0.00 177.39 176.09 3mcv s LEU 209 N 4.01 3.42 0.41 2.23 1.43 -1.26 -4.96 118.68 123.97 3mcv s LEU 209 Ca 0.89 1.76 -0.26 0.00 -1.03 0.00 0.00 54.13 55.49 3mcv s LEU 209 Cb -0.55 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.04 3mcv s LEU 209 CO 0.45 -1.21 1.40 -2.65 0.23 0.00 0.00 176.35 174.58 3mcv n PRO 210 N -2.26 2.31 -0.11 1.29 -0.02 -1.26 -4.88 135.00 130.06 3mcv n PRO 210 Ca 0.08 0.82 0.02 0.00 -2.02 0.00 0.00 63.50 62.40 3mcv n PRO 210 Cb 0.53 -2.56 0.32 0.00 -0.02 0.00 0.00 33.50 31.77 3mcv n PRO 210 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3mcv h VAL 211 N 2.48 1.16 0.00 -1.45 2.07 -2.03 -1.97 116.25 116.51 3mcv h VAL 211 Ca -0.50 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3mcv h VAL 211 Cb 1.27 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3mcv h VAL 211 CO 0.62 0.15 -0.07 0.00 0.02 0.00 0.00 177.57 178.30 3mcv h ALA 212 N 1.62 1.00 -2.88 1.67 0.00 -2.04 -3.45 119.26 115.17 3mcv h ALA 212 Ca 0.21 -0.06 -0.52 0.00 0.00 0.00 0.00 54.91 54.54 3mcv h ALA 212 Cb -0.07 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 17.77 3mcv h ALA 212 CO -0.04 0.08 0.65 1.41 0.00 0.00 0.00 179.25 181.35 3mcv s MET 213 N -3.56 4.33 0.69 0.00 0.00 -0.74 -5.00 119.30 115.02 3mcv s MET 213 Ca 0.02 2.25 -0.12 0.00 0.00 0.00 0.00 55.69 57.84 3mcv s MET 213 Cb 0.08 -3.06 0.01 0.00 0.00 0.00 0.00 34.83 31.86 3mcv s MET 213 CO 0.59 -0.22 1.07 0.20 0.00 0.00 0.00 175.02 176.66 3mcv s GLY 214 N -0.44 1.80 0.20 2.11 0.00 -1.26 -4.89 107.32 104.84 3mcv s GLY 214 Ca 0.49 0.22 -0.09 0.00 0.00 0.00 0.00 44.72 45.35 3mcv s GLY 214 CO 0.54 0.54 1.75 -2.09 0.00 0.00 0.00 173.10 173.84 3mcv h GLU 215 N -0.51 1.13 -0.77 2.90 4.57 -1.97 -1.53 114.58 118.39 3mcv h GLU 215 Ca -0.45 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 57.49 3mcv h GLU 215 Cb 1.22 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.60 3mcv h GLU 215 CO 0.56 0.95 0.42 1.05 -1.18 0.00 0.00 179.01 180.80 3mcv h GLU 216 N 1.08 1.08 -0.27 1.92 9.09 -1.99 -1.38 114.58 124.11 3mcv h GLU 216 Ca 0.24 -0.13 -0.14 0.00 0.05 0.00 0.00 59.36 59.38 3mcv h GLU 216 Cb 0.27 -0.21 -0.01 0.00 -1.65 0.00 0.00 28.75 27.15 3mcv h GLU 216 CO -0.01 0.81 -0.39 1.49 0.05 0.00 0.00 179.01 180.96 3mcv h GLU 217 N 1.07 0.64 -0.15 1.06 4.81 -1.86 -1.86 114.58 118.28 3mcv h GLU 217 Ca 0.27 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3mcv h GLU 217 Cb 0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3mcv h GLU 217 CO -0.04 0.92 0.10 0.87 -0.73 0.00 0.00 179.01 180.13 3mcv h LYS 218 N 0.53 0.21 -0.21 1.92 1.57 -1.04 -2.69 116.57 116.86 3mcv h LYS 218 Ca 0.05 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3mcv h LYS 218 Cb 0.91 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 3mcv h LYS 218 CO 0.08 0.16 -0.13 -0.44 -0.57 0.00 0.00 179.45 178.55 3mcv h ASP 219 N 0.19 0.32 -0.59 0.86 3.32 -1.11 -1.38 116.42 118.03 3mcv h ASP 219 Ca 0.06 -0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.08 3mcv h ASP 219 Cb 0.00 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 3mcv h ASP 219 CO -0.01 0.49 0.33 0.50 -1.72 0.00 0.00 179.24 178.83 3mcv h LYS 220 N 0.32 0.62 -0.10 3.56 3.64 -1.16 -1.54 116.57 121.91 3mcv h LYS 220 Ca 0.06 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3mcv h LYS 220 Cb 0.43 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3mcv h LYS 220 CO 0.03 0.41 -0.03 -1.49 -2.27 0.00 0.00 179.45 176.10 3mcv h TRP 221 N 0.64 0.22 -0.82 1.91 4.06 -1.12 -3.24 115.95 117.60 3mcv h TRP 221 Ca 0.25 -0.05 0.10 0.00 2.06 0.00 0.00 58.89 61.25 3mcv h TRP 221 Cb 0.11 -0.05 -0.07 0.00 -1.00 0.00 0.00 29.16 28.14 3mcv h TRP 221 CO -0.08 0.52 0.47 0.00 -3.56 0.00 0.00 178.44 175.79 3mcv h ARG 222 N -0.14 0.75 0.00 0.49 3.08 -1.12 -1.86 114.38 115.58 3mcv h ARG 222 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3mcv h ARG 222 Cb 0.45 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3mcv h ARG 222 CO 0.01 0.50 0.00 2.89 -1.07 0.00 0.00 179.97 182.30 3mcv n ARG 223 N -4.76 0.15 0.19 0.04 1.85 -0.59 -2.18 116.66 111.36 3mcv n ARG 223 Ca 0.14 0.41 0.13 0.00 -1.00 0.00 0.00 57.85 57.52 3mcv n ARG 223 Cb 0.29 -1.80 0.26 0.00 -1.05 0.00 0.00 32.46 30.16 3mcv n ARG 223 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3mcv h LYS 224 N 0.00 0.00 -6.39 2.89 1.57 -1.38 -3.46 116.57 109.80 3mcv h LYS 224 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3mcv h LYS 224 Cb 0.31 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 3mcv h LYS 224 CO 0.00 0.00 0.87 0.08 -0.57 0.00 0.00 179.45 179.83 3mcv s VAL 225 N -3.20 4.44 0.22 0.50 1.01 -0.93 -4.81 120.40 117.64 3mcv s VAL 225 Ca 0.08 1.62 -0.07 0.00 0.00 0.00 0.00 61.98 63.61 3mcv s VAL 225 Cb 0.07 -4.45 0.17 0.00 0.00 0.00 0.00 36.38 32.17 3mcv s VAL 225 CO 0.64 -0.59 1.79 -0.65 0.00 0.00 0.00 175.10 176.28 3mcv h PRO 226 N 8.35 0.61 -5.15 2.72 0.11 -1.83 -1.80 132.00 135.02 3mcv h PRO 226 Ca -0.21 -0.04 -0.69 0.00 0.11 0.00 0.00 66.00 65.17 3mcv h PRO 226 Cb 1.06 -0.14 -0.16 0.00 0.11 0.00 0.00 31.00 31.88 3mcv h PRO 226 CO 1.05 0.41 1.24 -1.17 -0.21 0.00 0.00 178.00 179.31 3mcv s LEU 227 N -10.31 4.74 0.00 2.35 2.96 -0.60 -4.27 118.68 113.55 3mcv s LEU 227 Ca -0.13 -2.34 0.00 0.00 -0.22 0.00 0.00 54.13 51.44 3mcv s LEU 227 Cb 0.18 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.43 3mcv s LEU 227 CO 0.76 -1.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 3mcv n GLY 228 N 5.18 0.99 3.77 7.98 0.00 -1.26 -4.45 105.19 117.39 3mcv n GLY 228 Ca 0.32 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 3mcv n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mcv n ARG 229 N -2.00 -5.75 -3.70 1.61 5.12 -0.68 -4.95 116.66 106.31 3mcv n ARG 229 Ca 0.00 0.66 -0.10 0.00 -1.93 0.00 0.00 57.85 56.47 3mcv n ARG 229 Cb 0.00 -5.47 -0.06 0.00 -1.16 0.00 0.00 32.46 25.78 3mcv n ARG 229 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 3mcv s ARG 230 N -6.28 0.98 0.65 5.56 1.70 -1.17 -4.30 118.95 116.09 3mcv s ARG 230 Ca 0.38 -0.73 -0.12 0.00 -0.47 0.00 0.00 55.73 54.79 3mcv s ARG 230 Cb -0.19 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 34.60 3mcv s ARG 230 CO 0.80 -0.36 1.04 -1.83 -1.08 0.00 0.00 175.30 173.88 3mcv s GLU 231 N -3.63 3.26 0.25 3.89 1.03 -1.26 -4.87 118.70 117.38 3mcv s GLU 231 Ca 0.02 0.91 -0.30 0.00 0.03 0.00 0.00 54.97 55.64 3mcv s GLU 231 Cb 0.02 -2.03 -0.10 0.00 -0.80 0.00 0.00 34.13 31.22 3mcv s GLU 231 CO -0.10 -0.84 1.33 0.00 -1.33 0.00 0.00 175.26 174.32 3mcv s ALA 232 N -3.00 3.54 0.76 -0.84 0.00 -0.21 -4.94 121.76 117.07 3mcv s ALA 232 Ca 0.58 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.61 3mcv s ALA 232 Cb -0.13 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.55 3mcv s ALA 232 CO 0.51 -0.60 1.11 -1.54 0.00 0.00 0.00 175.76 175.25 3mcv s SER 233 N 0.05 4.43 0.36 0.00 1.04 -1.26 -3.58 113.70 114.73 3mcv s SER 233 Ca 0.54 1.95 0.04 0.00 0.48 0.00 0.00 55.95 58.97 3mcv s SER 233 Cb -0.39 -2.54 0.70 0.00 0.10 0.00 0.00 66.02 63.89 3mcv s SER 233 CO 0.44 -2.09 1.99 0.00 0.98 0.00 0.00 173.24 174.55 3mcv h ALA 234 N -0.88 1.63 -0.67 5.32 0.00 -1.95 -2.55 119.26 120.16 3mcv h ALA 234 Ca -0.45 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3mcv h ALA 234 Cb 1.24 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3mcv h ALA 234 CO 0.51 0.29 0.24 0.93 0.00 0.00 0.00 179.25 181.22 3mcv h GLU 235 N 0.79 1.00 -0.63 0.00 3.07 -1.92 -0.09 114.58 116.81 3mcv h GLU 235 Ca 0.27 -0.18 -0.07 0.00 -0.50 0.00 0.00 59.36 58.88 3mcv h GLU 235 Cb 0.08 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.80 3mcv h GLU 235 CO -0.08 0.83 0.12 1.96 -1.40 0.00 0.00 179.01 180.44 3mcv h GLN 236 N 0.98 1.01 -0.16 2.33 4.20 -1.83 0.13 115.11 121.76 3mcv h GLN 236 Ca 0.22 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3mcv h GLN 236 Cb 0.23 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3mcv h GLN 236 CO -0.02 0.92 0.06 0.82 -0.67 0.00 0.00 178.83 179.94 3mcv h ILE 237 N 0.95 1.17 -0.56 2.54 1.08 -1.25 -2.93 117.51 118.51 3mcv h ILE 237 Ca 0.19 -0.53 0.05 0.00 -0.39 0.00 0.00 64.86 64.19 3mcv h ILE 237 Cb 0.39 1.22 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 3mcv h ILE 237 CO 0.01 0.16 0.38 0.00 -0.69 0.00 0.00 178.15 178.01 3mcv h ALA 238 N 0.88 1.81 -1.00 1.87 0.00 -0.65 -2.14 119.26 120.04 3mcv h ALA 238 Ca 0.05 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3mcv h ALA 238 Cb 0.20 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 3mcv h ALA 238 CO -0.00 0.10 0.65 -0.44 0.00 0.00 0.00 179.25 179.56 3mcv h ASP 239 N 0.56 1.04 -0.18 0.00 3.32 -0.55 -0.72 116.42 119.90 3mcv h ASP 239 Ca 0.24 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.16 3mcv h ASP 239 Cb 0.23 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3mcv h ASP 239 CO -0.07 0.66 -0.36 0.00 -1.72 0.00 0.00 179.24 177.75 3mcv h ALA 240 N 1.45 0.79 -0.13 3.45 0.00 -1.41 -1.65 119.26 121.76 3mcv h ALA 240 Ca 0.43 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3mcv h ALA 240 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3mcv h ALA 240 CO -0.17 0.65 0.06 0.28 0.00 0.00 0.00 179.25 180.07 3mcv h VAL 241 N 0.58 0.99 -0.63 0.00 2.07 -1.21 -1.88 116.25 116.17 3mcv h VAL 241 Ca 0.06 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.57 3mcv h VAL 241 Cb 0.89 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 3mcv h VAL 241 CO 0.08 0.02 0.38 0.40 0.02 0.00 0.00 177.57 178.47 3mcv h ILE 242 N 0.13 1.05 -0.15 4.57 1.08 -1.02 -1.57 117.51 121.61 3mcv h ILE 242 Ca 0.05 -0.25 0.04 0.00 -0.39 0.00 0.00 64.86 64.31 3mcv h ILE 242 Cb 0.01 0.25 -0.04 0.00 -3.07 0.00 0.00 36.82 33.98 3mcv h ILE 242 CO -0.04 0.13 -0.08 0.15 -0.69 0.00 0.00 178.15 177.62 3mcv h PHE 243 N 0.73 -0.19 -0.43 1.37 3.57 -1.14 -2.38 116.94 118.47 3mcv h PHE 243 Ca 0.26 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 3mcv h PHE 243 Cb 0.06 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3mcv h PHE 243 CO -0.06 -0.12 0.11 -0.07 -2.23 0.00 0.00 178.31 175.94 3mcv h LEU 244 N -0.07 0.58 0.00 0.59 3.38 -0.85 -2.16 115.31 116.78 3mcv h LEU 244 Ca 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mcv h LEU 244 Cb 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3mcv h LEU 244 CO -0.19 0.58 -0.15 1.33 0.09 0.00 0.00 178.44 180.09 3mcv n VAL 245 N -4.32 0.34 -1.76 1.22 0.24 -0.63 -4.73 118.33 108.68 3mcv n VAL 245 Ca 0.03 -0.18 -0.29 0.00 -2.04 0.00 0.00 64.34 61.86 3mcv n VAL 245 Cb 0.19 -0.41 0.09 0.00 -1.47 0.00 0.00 33.84 32.25 3mcv n VAL 245 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3mcv s SER 246 N -3.92 4.42 0.22 -1.34 1.04 -0.81 -4.95 113.70 108.36 3mcv s SER 246 Ca 0.11 0.96 0.21 0.00 0.48 0.00 0.00 55.95 57.71 3mcv s SER 246 Cb 0.15 -1.56 0.92 0.00 0.10 0.00 0.00 66.02 65.63 3mcv s SER 246 CO 0.61 -1.98 1.63 0.61 0.98 0.00 0.00 173.24 175.09 3mcv n GLY 247 N -2.82 -1.13 0.00 7.32 0.00 -1.26 -2.12 105.19 105.19 3mcv n GLY 247 Ca 0.07 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3mcv n GLY 247 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mcv n SER 248 N -2.10 0.00 -0.45 1.61 7.64 -1.26 -3.42 113.62 115.64 3mcv n SER 248 Ca 0.02 -0.02 0.07 0.00 1.01 0.00 0.00 58.87 59.94 3mcv n SER 248 Cb 0.17 -0.32 0.18 0.00 -1.01 0.00 0.00 64.21 63.24 3mcv n SER 248 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mcv n ALA 249 N -1.32 3.03 0.31 -0.43 0.00 -0.90 -4.86 120.51 116.34 3mcv n ALA 249 Ca 0.12 -2.88 0.19 0.00 0.00 0.00 0.00 53.44 50.88 3mcv n ALA 249 Cb 0.23 -0.45 1.01 0.00 0.00 0.00 0.00 19.45 20.25 3mcv n ALA 249 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3mcv h GLN 250 N 0.63 0.00 -0.06 0.00 1.08 -1.69 -1.02 115.11 114.06 3mcv h GLN 250 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3mcv h GLN 250 Cb 1.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 3mcv h GLN 250 CO 0.07 0.02 0.00 0.98 -0.95 0.00 0.00 178.83 178.95 3mcv n TYR 251 N -3.31 0.04 -3.24 2.96 9.36 -1.26 -4.94 117.16 116.77 3mcv n TYR 251 Ca -0.02 -0.02 -0.41 0.00 3.32 0.00 0.00 57.90 60.77 3mcv n TYR 251 Cb 0.13 -0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.77 3mcv n TYR 251 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3mcv s ILE 252 N -1.80 5.03 -0.06 2.97 1.01 -0.39 -5.04 121.20 122.93 3mcv s ILE 252 Ca 0.27 0.50 -0.13 0.00 0.00 0.00 0.00 60.65 61.28 3mcv s ILE 252 Cb 0.19 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 38.76 3mcv s ILE 252 CO 0.28 -0.12 0.31 0.28 0.00 0.00 0.00 174.94 175.68 3mcv s THR 253 N 2.37 0.03 -0.40 2.92 -1.32 -1.26 -4.67 115.64 113.32 3mcv s THR 253 Ca 0.19 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 3mcv s THR 253 Cb -0.15 -0.54 0.00 0.00 -1.51 0.00 0.00 72.50 70.29 3mcv s THR 253 CO 0.12 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 3mcv n GLY 254 N 1.95 0.65 3.84 6.08 0.00 0.10 -4.94 105.19 112.88 3mcv n GLY 254 Ca -0.18 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 3mcv n GLY 254 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mcv s SER 255 N -2.51 6.18 -0.23 1.61 0.01 -1.26 -4.84 113.70 112.67 3mcv s SER 255 Ca 0.00 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.67 3mcv s SER 255 Cb 0.00 -1.96 0.03 0.00 0.21 0.00 0.00 66.02 64.30 3mcv s SER 255 CO 0.00 0.40 -0.12 -0.63 0.41 0.00 0.00 173.24 173.30 3mcv s ILE 256 N -1.01 2.42 -0.37 1.44 1.01 -1.26 -0.55 121.20 122.88 3mcv s ILE 256 Ca 0.15 -1.12 -0.18 0.00 0.00 0.00 0.00 60.65 59.49 3mcv s ILE 256 Cb -0.12 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.15 3mcv s ILE 256 CO 0.04 0.28 0.50 -0.63 0.00 0.00 0.00 174.94 175.13 3mcv s ILE 257 N 1.26 5.02 0.22 2.92 1.01 -0.13 -4.90 121.20 126.60 3mcv s ILE 257 Ca -0.00 0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.51 3mcv s ILE 257 Cb -0.16 -4.00 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 3mcv s ILE 257 CO -0.08 -0.29 1.36 -0.54 0.00 0.00 0.00 174.94 175.39 3mcv s LYS 258 N 2.38 4.34 -0.55 2.79 1.02 -1.26 -0.45 119.74 128.00 3mcv s LYS 258 Ca 0.17 2.16 0.05 0.00 0.02 0.00 0.00 55.97 58.37 3mcv s LYS 258 Cb -0.16 -3.16 0.18 0.00 -0.52 0.00 0.00 37.83 34.18 3mcv s LYS 258 CO 0.14 -0.32 0.45 0.28 -0.92 0.00 0.00 175.35 174.98 3mcv n VAL 259 N 2.45 0.27 -0.78 3.17 0.31 -0.09 -4.88 118.33 118.79 3mcv n VAL 259 Ca 0.06 -4.20 0.00 0.00 -0.01 0.00 0.00 64.34 60.19 3mcv n VAL 259 Cb 0.42 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 3mcv n VAL 259 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3mcv n ASP 260 N 2.24 0.37 -1.66 4.52 5.75 -1.26 -3.17 116.55 123.33 3mcv n ASP 260 Ca 0.25 -1.14 -0.19 0.00 -0.01 0.00 0.00 54.79 53.70 3mcv n ASP 260 Cb 0.42 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.45 3mcv n ASP 260 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mcv n GLY 261 N -0.07 1.22 2.08 6.12 0.00 -1.26 -1.39 105.19 111.89 3mcv n GLY 261 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3mcv n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mcv n GLY 262 N -0.74 0.74 0.31 -0.02 0.00 -1.26 -1.56 105.19 102.66 3mcv n GLY 262 Ca -0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.84 3mcv n GLY 262 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3mcv h LEU 263 N 0.00 0.72 -0.80 0.99 5.85 -1.54 -1.62 115.31 118.91 3mcv h LEU 263 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3mcv h LEU 263 Cb 0.00 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3mcv h LEU 263 CO 0.00 0.43 0.00 -1.54 -0.34 0.00 0.00 178.44 176.99 3mcv n SER 264 N -4.71 0.62 -0.07 1.25 3.41 -1.26 -2.03 113.62 110.84 3mcv n SER 264 Ca 0.13 0.67 0.14 0.00 -0.26 0.00 0.00 58.87 59.55 3mcv n SER 264 Cb 0.25 -0.80 0.57 0.00 -0.26 0.00 0.00 64.21 63.97 3mcv n SER 264 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mcv n LEU 265 N -2.21 0.34 -4.62 1.04 4.77 -0.61 -4.87 117.00 110.84 3mcv n LEU 265 Ca 0.02 0.13 -0.40 0.00 -0.03 0.00 0.00 56.01 55.72 3mcv n LEU 265 Cb 0.19 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 3mcv n LEU 265 CO 0.18 0.07 0.25 -0.69 -1.33 0.00 0.00 177.39 175.87 3mcv s VAL 266 N -2.66 5.07 0.88 4.08 1.01 -0.86 -5.05 120.40 122.87 3mcv s VAL 266 Ca 0.23 0.91 -0.11 0.00 0.00 0.00 0.00 61.98 63.01 3mcv s VAL 266 Cb 0.19 -3.84 0.12 0.00 0.00 0.00 0.00 36.38 32.86 3mcv s VAL 266 CO 0.52 0.09 1.09 -1.38 0.00 0.00 0.00 175.10 175.42 3mcv s HIS 267 N 2.23 2.37 -1.25 5.22 -3.43 -1.26 -5.09 115.29 114.08 3mcv s HIS 267 Ca 0.22 1.29 0.00 0.00 -0.80 0.00 0.00 55.06 55.77 3mcv s HIS 267 Cb -0.16 -3.14 0.00 0.00 -1.43 0.00 0.00 32.58 27.85 3mcv s HIS 267 CO 0.09 -2.29 0.31 0.00 -2.00 0.00 0.00 174.74 170.85