#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ppv n GLN 3 N 0.00 2.04 -3.42 1.97 6.02 -1.26 -5.13 117.38 117.59 2ppv n GLN 3 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 2ppv n GLN 3 Cb 0.00 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.20 2ppv n GLN 3 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2ppv s ASN 5 N -1.72 -0.62 -0.13 1.08 0.01 -1.26 -4.77 114.94 107.54 2ppv s ASN 5 Ca 0.00 0.85 -0.01 0.00 -0.71 0.00 0.00 52.86 52.99 2ppv s ASN 5 Cb 0.00 1.71 -0.02 0.00 0.41 0.00 0.00 41.25 43.34 2ppv s ASN 5 CO 0.00 -0.26 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.55 2ppv s VAL 6 N 2.72 3.40 -0.16 1.60 1.01 -0.92 -0.82 120.40 127.23 2ppv s VAL 6 Ca 0.08 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 2ppv s VAL 6 Cb -0.14 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 2ppv s VAL 6 CO -0.17 0.52 -0.04 -0.69 0.00 0.00 0.00 175.10 174.71 2ppv s VAL 7 N 0.23 3.76 -0.12 2.92 1.01 -0.33 -1.11 120.40 126.77 2ppv s VAL 7 Ca -0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 2ppv s VAL 7 Cb -0.15 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2ppv s VAL 7 CO 0.04 0.49 -0.04 -0.76 0.00 0.00 0.00 175.10 174.83 2ppv s LEU 8 N 0.50 3.31 -0.14 3.92 1.43 0.72 0.32 118.68 128.74 2ppv s LEU 8 Ca -0.04 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 2ppv s LEU 8 Cb -0.14 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.32 2ppv s LEU 8 CO 0.03 0.27 -0.20 -0.63 0.23 0.00 0.00 176.35 176.05 2ppv s ILE 9 N -0.25 1.92 -0.63 -0.59 1.01 0.22 -0.07 121.20 122.81 2ppv s ILE 9 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2ppv s ILE 9 Cb -0.13 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.62 2ppv s ILE 9 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.09 2ppv n GLY 10 N 4.28 -0.84 0.00 6.18 0.00 -0.78 -2.17 105.19 111.86 2ppv n GLY 10 Ca -0.20 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2ppv n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppv n GLY 11 N 0.00 1.53 1.03 -0.02 0.00 -1.22 -2.25 105.19 104.26 2ppv n GLY 11 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2ppv n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppv n GLY 12 N -0.26 -2.91 0.26 -0.02 0.00 -1.26 -4.05 105.19 96.95 2ppv n GLY 12 Ca 0.00 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.35 2ppv n GLY 12 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ppv h THR 13 N 0.00 0.53 -0.20 2.61 1.35 -1.98 -1.68 112.91 113.55 2ppv h THR 13 Ca 0.00 -0.56 0.02 0.00 -0.55 0.00 0.00 66.41 65.32 2ppv h THR 13 Cb 0.00 1.37 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 2ppv h THR 13 CO 0.00 0.12 0.06 1.23 -0.25 0.00 0.00 175.52 176.68 2ppv h GLY 14 N 0.95 0.24 0.66 5.82 0.00 -1.77 -1.48 103.07 107.49 2ppv h GLY 14 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 2ppv h GLY 14 CO 0.02 0.02 -0.07 -2.00 0.00 0.00 0.00 176.54 174.51 2ppv h LEU 15 N 0.16 0.21 -0.31 3.11 5.85 -1.43 -1.93 115.31 120.96 2ppv h LEU 15 Ca 0.09 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.38 2ppv h LEU 15 Cb 0.06 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2ppv h LEU 15 CO -0.10 0.62 0.12 0.28 -0.34 0.00 0.00 178.44 179.02 2ppv h SER 16 N -0.21 0.14 -0.58 1.25 0.02 -1.38 0.26 113.55 113.05 2ppv h SER 16 Ca 0.02 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2ppv h SER 16 Cb 0.55 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 2ppv h SER 16 CO 0.02 0.12 0.23 0.58 -1.14 0.00 0.00 176.83 176.63 2ppv h VAL 17 N 0.26 1.23 -0.33 2.27 2.07 -1.34 -2.15 116.25 118.25 2ppv h VAL 17 Ca 0.14 -0.72 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 2ppv h VAL 17 Cb 0.09 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2ppv h VAL 17 CO -0.13 0.28 -0.18 0.25 0.02 0.00 0.00 177.57 177.81 2ppv h LEU 18 N 0.80 0.72 -0.76 2.57 5.85 -0.95 -1.30 115.31 122.24 2ppv h LEU 18 Ca 0.19 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.53 2ppv h LEU 18 Cb 0.21 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 2ppv h LEU 18 CO -0.01 0.98 0.49 0.00 -0.34 0.00 0.00 178.44 179.55 2ppv h ALA 19 N 0.77 1.00 -0.37 1.25 0.00 -0.40 0.11 119.26 121.61 2ppv h ALA 19 Ca 0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2ppv h ALA 19 Cb 0.72 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2ppv h ALA 19 CO 0.05 0.30 -0.07 -0.09 0.00 0.00 0.00 179.25 179.43 2ppv h ARG 20 N 0.95 0.62 -0.50 0.00 2.43 -1.21 -2.19 114.38 114.48 2ppv h ARG 20 Ca 0.30 -0.17 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 2ppv h ARG 20 Cb -0.00 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2ppv h ARG 20 CO -0.10 0.70 -0.12 0.78 -1.51 0.00 0.00 179.97 179.71 2ppv h GLY 21 N 0.94 1.03 2.00 2.80 0.00 -0.18 -2.73 103.07 106.92 2ppv h GLY 21 Ca 0.11 -0.82 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 2ppv h GLY 21 CO 0.03 0.75 -0.13 1.41 0.00 0.00 0.00 176.54 178.60 2ppv h LEU 22 N 0.84 0.00 -0.47 3.11 3.38 -0.71 -2.61 115.31 118.85 2ppv h LEU 22 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2ppv h LEU 22 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2ppv h LEU 22 CO 0.05 0.13 0.00 -1.14 0.09 0.00 0.00 178.44 177.56 2ppv n ARG 23 N -3.24 0.09 0.00 1.13 0.00 -0.85 -1.38 116.66 112.41 2ppv n ARG 23 Ca 0.01 0.41 0.08 0.00 -0.00 0.00 0.00 57.85 58.35 2ppv n ARG 23 Cb 0.40 -1.70 0.44 0.00 0.00 0.00 0.00 32.46 31.60 2ppv n ARG 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2ppv n GLU 24 N -1.88 0.38 -4.37 -0.14 -0.58 -0.98 -4.86 120.64 108.21 2ppv n GLU 24 Ca 0.02 0.07 -0.21 0.00 -0.42 0.00 0.00 57.16 56.61 2ppv n GLU 24 Cb 0.14 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.41 2ppv n GLU 24 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2ppv s PHE 25 N -2.27 1.88 -1.13 -0.32 0.08 -0.48 -5.06 117.98 110.68 2ppv s PHE 25 Ca 0.20 -0.48 -0.19 0.00 0.12 0.00 0.00 56.93 56.58 2ppv s PHE 25 Cb 0.11 -0.89 -0.05 0.00 -0.57 0.00 0.00 43.02 41.62 2ppv s PHE 25 CO 0.21 0.42 1.99 -0.35 -0.10 0.00 0.00 175.22 177.40 2ppv n PRO 26 N -0.14 2.19 -3.94 0.24 -0.04 -1.26 -4.87 135.00 127.17 2ppv n PRO 26 Ca -0.10 -2.39 -0.11 0.00 -0.04 0.00 0.00 63.50 60.87 2ppv n PRO 26 Cb 0.59 -3.25 -0.13 0.00 -0.04 0.00 0.00 33.50 30.68 2ppv n PRO 26 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2ppv s ILE 27 N 5.29 0.09 -0.44 0.52 -4.36 -1.26 -4.85 121.20 116.19 2ppv s ILE 27 Ca 0.55 -0.48 -0.23 0.00 -0.26 0.00 0.00 60.65 60.23 2ppv s ILE 27 Cb 0.10 -0.17 0.02 0.00 1.25 0.00 0.00 42.46 43.67 2ppv s ILE 27 CO 0.05 -0.24 0.79 -1.81 0.24 0.00 0.00 174.94 173.97 2ppv s ASP 28 N -0.75 6.44 -0.15 4.36 1.01 -1.26 -4.97 116.67 121.33 2ppv s ASP 28 Ca -0.08 -0.02 -0.17 0.00 0.71 0.00 0.00 52.55 52.99 2ppv s ASP 28 Cb -0.05 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 2ppv s ASP 28 CO -0.00 -0.89 0.44 -0.63 0.21 0.00 0.00 175.17 174.29 2ppv s ILE 29 N 3.28 5.20 -0.12 0.77 1.01 -1.26 -2.16 121.20 127.92 2ppv s ILE 29 Ca 0.30 0.84 0.01 0.00 0.00 0.00 0.00 60.65 61.80 2ppv s ILE 29 Cb -0.12 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 2ppv s ILE 29 CO 0.22 0.30 -0.17 -0.89 0.00 0.00 0.00 174.94 174.40 2ppv s THR 30 N 0.88 2.71 -0.16 2.92 2.01 -0.27 -1.09 115.64 122.65 2ppv s THR 30 Ca 0.23 -0.78 -0.00 0.00 0.31 0.00 0.00 61.69 61.45 2ppv s THR 30 Cb -0.15 -2.11 -0.00 0.00 0.01 0.00 0.00 72.50 70.25 2ppv s THR 30 CO 0.09 0.53 -0.14 0.00 -0.69 0.00 0.00 174.62 174.40 2ppv s ALA 31 N 0.40 2.52 -0.27 7.40 0.00 -0.28 -0.20 121.76 131.33 2ppv s ALA 31 Ca -0.13 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.70 2ppv s ALA 31 Cb -0.16 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 2ppv s ALA 31 CO 0.06 -0.04 0.14 0.42 0.00 0.00 0.00 175.76 176.34 2ppv s ILE 32 N 0.82 4.89 -0.06 0.00 1.01 0.91 -0.84 121.20 127.93 2ppv s ILE 32 Ca -0.05 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.67 2ppv s ILE 32 Cb -0.15 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.00 2ppv s ILE 32 CO -0.00 0.29 -0.20 -0.69 0.00 0.00 0.00 174.94 174.33 2ppv s VAL 33 N 1.70 1.71 0.36 2.92 1.01 -0.42 -1.88 120.40 125.80 2ppv s VAL 33 Ca 0.07 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 60.92 2ppv s VAL 33 Cb -0.16 -1.46 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 2ppv s VAL 33 CO 0.08 0.48 1.23 0.28 0.00 0.00 0.00 175.10 177.18 2ppv s THR 34 N 0.07 2.93 -0.18 3.92 -1.32 -0.95 -1.07 115.64 119.04 2ppv s THR 34 Ca -0.07 0.87 0.14 0.00 -1.21 0.00 0.00 61.69 61.42 2ppv s THR 34 Cb -0.14 -3.52 0.37 0.00 -1.51 0.00 0.00 72.50 67.71 2ppv s THR 34 CO 0.04 0.15 1.21 1.33 -2.21 0.00 0.00 174.62 175.14 2ppv n VAL 35 N 0.47 2.09 1.02 5.08 0.24 -1.26 -4.63 118.33 121.34 2ppv n VAL 35 Ca 0.02 -2.76 0.11 0.00 -2.04 0.00 0.00 64.34 59.66 2ppv n VAL 35 Cb 0.44 -0.24 -0.00 0.00 -1.47 0.00 0.00 33.84 32.56 2ppv n VAL 35 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ppv n ALA 36 N -1.24 3.92 -1.62 2.33 0.00 -1.26 -1.41 120.51 121.24 2ppv n ALA 36 Ca 0.18 -0.60 -0.34 0.00 0.00 0.00 0.00 53.44 52.69 2ppv n ALA 36 Cb 0.69 -0.83 0.03 0.00 0.00 0.00 0.00 19.45 19.35 2ppv n ALA 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ppv s ASP 37 N -2.67 5.36 -0.00 0.00 2.15 -1.26 -4.11 116.67 116.13 2ppv s ASP 37 Ca 0.15 2.08 0.01 0.00 0.43 0.00 0.00 52.55 55.22 2ppv s ASP 37 Cb 0.17 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 40.24 2ppv s ASP 37 CO 0.67 -1.46 0.72 -0.46 -0.17 0.00 0.00 175.17 174.47 2ppv n ASN 38 N -1.94 0.18 -4.79 -0.34 6.94 -1.26 -4.54 115.26 109.51 2ppv n ASN 38 Ca 0.11 -1.46 -0.25 0.00 -0.02 0.00 0.00 54.58 52.96 2ppv n ASN 38 Cb 0.51 -0.08 -0.06 0.00 -2.36 0.00 0.00 39.78 37.80 2ppv n ASN 38 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2ppv s GLY 39 N -0.49 2.35 0.00 4.83 0.00 -1.26 -3.90 107.32 108.85 2ppv s GLY 39 Ca 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 42.89 2ppv s GLY 39 CO 0.00 -1.90 0.00 0.61 0.00 0.00 0.00 173.10 171.81 2ppv n GLY 40 N -1.38 2.03 0.35 0.20 0.00 -1.26 -1.03 105.19 104.11 2ppv n GLY 40 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 2ppv n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ppv n SER 41 N -0.42 -0.58 -0.04 1.61 3.41 -1.26 -0.57 113.62 115.77 2ppv n SER 41 Ca 0.00 1.59 -0.12 0.00 -0.26 0.00 0.00 58.87 60.07 2ppv n SER 41 Cb 0.00 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.51 2ppv n SER 41 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2ppv h THR 42 N 0.00 1.30 -0.75 6.66 2.02 -1.91 -2.61 112.91 117.62 2ppv h THR 42 Ca 0.32 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.54 2ppv h THR 42 Cb 0.55 1.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.63 2ppv h THR 42 CO -0.91 0.29 0.49 1.23 0.37 0.00 0.00 175.52 177.00 2ppv h GLY 43 N -0.08 1.04 0.79 2.16 0.00 -0.40 0.90 103.07 107.47 2ppv h GLY 43 Ca 0.03 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.05 2ppv h GLY 43 CO 0.01 0.30 0.46 0.50 0.00 0.00 0.00 176.54 177.81 2ppv h LYS 44 N 0.89 0.84 0.16 4.80 1.57 -0.47 -0.89 116.57 123.47 2ppv h LYS 44 Ca 0.30 -0.05 -0.31 0.00 -1.87 0.00 0.00 60.65 58.73 2ppv h LYS 44 Cb 0.09 -0.19 0.03 0.00 0.08 0.00 0.00 32.23 32.24 2ppv h LYS 44 CO -0.09 0.55 -1.31 0.97 -0.57 0.00 0.00 179.45 179.00 2ppv h ILE 45 N 0.86 1.31 0.00 1.86 6.09 -1.03 -3.18 117.51 123.43 2ppv h ILE 45 Ca 0.31 -2.61 -0.07 0.00 -1.37 0.00 0.00 64.86 61.13 2ppv h ILE 45 Cb 0.09 2.82 -0.01 0.00 0.47 0.00 0.00 36.82 40.20 2ppv h ILE 45 CO -0.14 0.79 -0.31 0.03 -3.07 0.00 0.00 178.15 175.44 2ppv h ARG 46 N 0.21 0.00 -0.92 2.19 3.08 -0.67 -1.85 114.38 116.42 2ppv h ARG 46 Ca -0.20 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 2ppv h ARG 46 Cb 1.99 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 32.00 2ppv h ARG 46 CO 0.24 0.31 0.55 -0.44 -1.07 0.00 0.00 179.97 179.57 2ppv h ASP 47 N 0.00 1.11 0.55 7.04 3.32 -1.23 -3.40 116.42 123.81 2ppv h ASP 47 Ca -0.00 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2ppv h ASP 47 Cb 0.62 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 2ppv h ASP 47 CO 0.04 0.85 -0.04 0.58 -1.72 0.00 0.00 179.24 178.95 2ppv h VAL 48 N 1.27 0.17 -3.49 -1.35 2.07 -1.30 -3.52 116.25 110.09 2ppv h VAL 48 Ca 0.33 -0.40 -0.69 0.00 0.82 0.00 0.00 66.70 66.76 2ppv h VAL 48 Cb -0.05 1.33 -0.35 0.00 -1.52 0.00 0.00 31.29 30.70 2ppv h VAL 48 CO -0.06 0.04 -0.49 -0.62 0.02 0.00 0.00 177.57 176.46 2ppv s ASP 50 N -5.68 5.25 -0.05 0.57 2.15 -1.26 -5.13 116.67 112.52 2ppv s ASP 50 Ca -0.02 -2.28 -0.10 0.00 0.43 0.00 0.00 52.55 50.58 2ppv s ASP 50 Cb 0.11 -1.84 0.02 0.00 -0.30 0.00 0.00 42.92 40.91 2ppv s ASP 50 CO 0.52 -0.49 0.24 -0.51 -0.17 0.00 0.00 175.17 174.76 2ppv s ILE 51 N 0.78 0.04 0.91 4.11 2.07 -1.26 -5.02 121.20 122.82 2ppv s ILE 51 Ca 0.11 -0.30 -0.11 0.00 -1.41 0.00 0.00 60.65 58.94 2ppv s ILE 51 Cb -0.22 -0.45 0.11 0.00 0.13 0.00 0.00 42.46 42.03 2ppv s ILE 51 CO -0.04 -0.16 0.99 -2.65 -1.91 0.00 0.00 174.94 171.17 2ppv n PRO 52 N 2.13 -0.32 -1.67 3.50 -0.02 -1.26 -4.83 135.00 132.52 2ppv n PRO 52 Ca -0.18 -0.03 -0.45 0.00 -2.02 0.00 0.00 63.50 60.82 2ppv n PRO 52 Cb 0.57 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 2ppv n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ppv n ALA 53 N -3.95 1.27 0.14 3.55 0.00 -0.50 -4.92 120.51 116.11 2ppv n ALA 53 Ca 0.11 0.23 0.08 0.00 0.00 0.00 0.00 53.44 53.86 2ppv n ALA 53 Cb 0.52 -2.61 0.05 0.00 0.00 0.00 0.00 19.45 17.41 2ppv n ALA 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ppv h PRO 54 N 10.16 0.00 0.04 0.00 0.13 -1.89 -3.43 132.00 137.00 2ppv h PRO 54 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2ppv h PRO 54 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2ppv h PRO 54 CO 0.95 0.15 -0.02 0.78 -0.23 0.00 0.00 178.00 179.63 2ppv h GLY 55 N 3.85 -0.05 0.94 1.56 0.00 -1.94 0.55 103.07 107.99 2ppv h GLY 55 Ca -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2ppv h GLY 55 CO 0.02 -0.02 0.16 -0.55 0.00 0.00 0.00 176.54 176.16 2ppv h ASP 56 N -0.24 0.49 -0.50 0.19 3.32 -1.85 -2.37 116.42 115.46 2ppv h ASP 56 Ca -0.01 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 56.92 2ppv h ASP 56 Cb 0.22 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2ppv h ASP 56 CO 0.01 0.50 0.30 0.40 -1.72 0.00 0.00 179.24 178.73 2ppv h ILE 57 N 0.45 1.05 -0.26 0.35 2.04 -1.80 -2.12 117.51 117.22 2ppv h ILE 57 Ca 0.12 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.84 2ppv h ILE 57 Cb 0.15 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 2ppv h ILE 57 CO -0.01 0.11 -0.18 -0.09 0.00 0.00 0.00 178.15 177.97 2ppv h ARG 58 N 0.60 -0.16 -0.65 2.37 2.43 -0.75 0.41 114.38 118.63 2ppv h ARG 58 Ca 0.20 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2ppv h ARG 58 Cb 0.02 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 2ppv h ARG 58 CO -0.09 -0.11 0.38 -0.91 -1.51 0.00 0.00 179.97 177.73 2ppv h ASN 59 N -0.17 0.78 -0.05 -3.80 2.35 -1.19 -0.64 115.58 112.85 2ppv h ASN 59 Ca 0.14 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 2ppv h ASN 59 Cb 0.39 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.57 2ppv h ASN 59 CO -0.36 0.61 -0.56 0.58 -1.65 0.00 0.00 177.43 176.05 2ppv h VAL 60 N 0.89 1.39 -0.38 2.81 2.07 -0.85 -1.01 116.25 121.18 2ppv h VAL 60 Ca 0.23 -1.95 0.08 0.00 0.82 0.00 0.00 66.70 65.88 2ppv h VAL 60 Cb -0.01 2.39 -0.08 0.00 -1.52 0.00 0.00 31.29 32.07 2ppv h VAL 60 CO -0.04 0.58 -0.13 0.40 0.02 0.00 0.00 177.57 178.39 2ppv h ILE 61 N 0.01 0.55 -0.91 4.57 2.04 -0.72 -1.80 117.51 121.25 2ppv h ILE 61 Ca -0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.85 2ppv h ILE 61 Cb 1.23 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 2ppv h ILE 61 CO 0.11 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.86 2ppv h ALA 62 N 1.29 1.45 -0.22 1.87 0.00 -0.98 -2.59 119.26 120.08 2ppv h ALA 62 Ca 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2ppv h ALA 62 Cb 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2ppv h ALA 62 CO -0.42 0.44 0.06 0.00 0.00 0.00 0.00 179.25 179.34 2ppv h ALA 63 N 1.48 1.70 -0.15 0.00 0.00 -0.32 -2.37 119.26 119.60 2ppv h ALA 63 Ca 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2ppv h ALA 63 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2ppv h ALA 63 CO -0.12 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.64 2ppv n LEU 64 N -4.42 1.42 0.00 0.00 4.77 -0.99 -4.21 117.00 113.57 2ppv n LEU 64 Ca 0.00 -0.60 -0.23 0.00 -0.03 0.00 0.00 56.01 55.14 2ppv n LEU 64 Cb 0.14 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 2ppv n LEU 64 CO 0.36 0.30 -0.02 -1.54 -1.33 0.00 0.00 177.39 175.16 2ppv n SER 65 N 0.17 2.67 -4.57 -1.43 3.41 -0.89 -1.21 113.62 111.78 2ppv n SER 65 Ca 0.15 -2.66 -0.43 0.00 -0.26 0.00 0.00 58.87 55.68 2ppv n SER 65 Cb 0.28 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.25 2ppv n SER 65 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ppv s ASP 66 N -3.57 6.50 0.55 4.04 -1.08 -1.26 -4.92 116.67 116.93 2ppv s ASP 66 Ca 0.18 0.14 0.30 0.00 -0.52 0.00 0.00 52.55 52.65 2ppv s ASP 66 Cb -0.01 -2.42 1.58 0.00 -1.46 0.00 0.00 42.92 40.60 2ppv s ASP 66 CO 0.11 -0.93 2.11 0.77 0.52 0.00 0.00 175.17 177.76 2ppv h SER 67 N 8.87 0.00 0.49 -0.34 4.64 -1.95 -2.16 113.55 123.10 2ppv h SER 67 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2ppv h SER 67 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2ppv h SER 67 CO 0.98 0.09 -0.25 -0.62 -0.87 0.00 0.00 176.83 176.16 2ppv n GLU 68 N -3.53 0.37 -1.97 4.77 -0.58 -1.26 -4.39 120.64 114.05 2ppv n GLU 68 Ca -0.02 -0.17 -0.37 0.00 -0.42 0.00 0.00 57.16 56.18 2ppv n GLU 68 Cb 0.22 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.61 2ppv n GLU 68 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2ppv s SER 69 N -2.74 5.50 0.20 1.62 1.04 -0.81 -4.88 113.70 113.62 2ppv s SER 69 Ca 0.20 2.55 -0.11 0.00 0.48 0.00 0.00 55.95 59.07 2ppv s SER 69 Cb 0.19 -2.62 0.21 0.00 0.10 0.00 0.00 66.02 63.90 2ppv s SER 69 CO 0.57 -1.39 1.79 0.40 0.98 0.00 0.00 173.24 175.58 2ppv h ILE 70 N 1.44 0.93 -0.63 -1.02 1.08 -1.91 -1.16 117.51 116.24 2ppv h ILE 70 Ca -0.50 -0.20 -0.06 0.00 -0.39 0.00 0.00 64.86 63.71 2ppv h ILE 70 Cb 1.29 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 35.32 2ppv h ILE 70 CO 0.58 0.10 0.14 -0.07 -0.69 0.00 0.00 178.15 178.21 2ppv h LEU 71 N 0.57 0.97 -0.59 1.44 3.38 -1.93 -0.79 115.31 118.36 2ppv h LEU 71 Ca 0.27 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2ppv h LEU 71 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2ppv h LEU 71 CO -0.19 0.96 -0.18 0.74 0.09 0.00 0.00 178.44 179.86 2ppv h THR 72 N 0.93 1.27 -0.40 0.22 2.02 -1.77 -0.87 112.91 114.31 2ppv h THR 72 Ca 0.20 -1.32 0.03 0.00 0.77 0.00 0.00 66.41 66.08 2ppv h THR 72 Cb 0.37 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 2ppv h THR 72 CO 0.00 0.46 0.21 1.56 0.37 0.00 0.00 175.52 178.12 2ppv h GLN 73 N 0.82 0.42 -0.47 6.66 4.20 -0.91 -0.86 115.11 124.97 2ppv h GLN 73 Ca 0.12 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 2ppv h GLN 73 Cb 0.73 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 2ppv h GLN 73 CO 0.06 0.28 0.28 -0.07 -0.67 0.00 0.00 178.83 178.70 2ppv h LEU 74 N 0.43 0.56 -1.55 1.46 3.38 -1.00 -1.88 115.31 116.72 2ppv h LEU 74 Ca 0.17 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2ppv h LEU 74 Cb 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2ppv h LEU 74 CO -0.10 0.46 0.23 0.15 0.09 0.00 0.00 178.44 179.27 2ppv h PHE 75 N 0.62 0.51 -0.11 1.13 3.57 -0.65 -2.28 116.94 119.74 2ppv h PHE 75 Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2ppv h PHE 75 Cb 0.00 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.57 2ppv h PHE 75 CO -0.03 0.35 0.00 1.04 -2.23 0.00 0.00 178.31 177.44 2ppv n GLN 76 N -4.45 2.11 -2.39 1.11 1.13 -0.37 -2.39 117.38 112.13 2ppv n GLN 76 Ca 0.03 -1.64 -0.39 0.00 -1.94 0.00 0.00 57.00 53.06 2ppv n GLN 76 Cb 0.08 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.93 2ppv n GLN 76 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2ppv s TYR 77 N -1.88 3.32 -0.05 1.08 5.04 -0.72 -4.94 117.35 119.20 2ppv s TYR 77 Ca 0.33 1.62 0.02 0.00 -2.44 0.00 0.00 57.07 56.60 2ppv s TYR 77 Cb 0.20 -3.33 0.01 0.00 0.35 0.00 0.00 41.96 39.19 2ppv s TYR 77 CO 0.31 -0.93 -0.12 0.50 -1.34 0.00 0.00 175.55 173.97 2ppv s ARG 78 N -1.90 1.49 0.58 4.97 3.52 -1.26 -0.79 118.95 125.56 2ppv s ARG 78 Ca 0.51 -0.39 -0.19 0.00 -0.13 0.00 0.00 55.73 55.52 2ppv s ARG 78 Cb -0.31 -1.28 -0.04 0.00 -1.56 0.00 0.00 34.95 31.76 2ppv s ARG 78 CO 0.39 0.07 1.19 -0.06 -0.81 0.00 0.00 175.30 176.08 2ppv s PHE 79 N 0.50 2.47 0.88 5.12 0.08 -0.32 -4.98 117.98 121.73 2ppv s PHE 79 Ca -0.11 1.52 -0.11 0.00 0.12 0.00 0.00 56.93 58.36 2ppv s PHE 79 Cb -0.14 -3.43 0.12 0.00 -0.57 0.00 0.00 43.02 39.00 2ppv s PHE 79 CO 0.03 -2.04 1.10 0.20 -0.10 0.00 0.00 175.22 174.40 2ppv s GLY 80 N -1.64 1.65 0.57 4.36 0.00 -1.26 -4.36 107.32 106.64 2ppv s GLY 80 Ca 0.76 0.21 0.26 0.00 0.00 0.00 0.00 44.72 45.95 2ppv s GLY 80 CO 0.31 0.66 2.15 -2.09 0.00 0.00 0.00 173.10 174.13 2ppv h GLU 81 N -1.59 0.00 0.00 2.90 4.57 -1.90 -1.06 114.58 117.50 2ppv h GLU 81 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2ppv h GLU 81 Cb 1.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 2ppv h GLU 81 CO 0.50 0.00 0.00 0.27 -1.18 0.00 0.00 179.01 178.60 2ppv n ASN 82 N -4.05 0.00 -3.95 1.04 6.94 -1.26 -3.73 115.26 110.25 2ppv n ASN 82 Ca -0.00 0.19 -0.26 0.00 -0.02 0.00 0.00 54.58 54.49 2ppv n ASN 82 Cb 0.22 -0.38 -0.17 0.00 -2.36 0.00 0.00 39.78 37.09 2ppv n ASN 82 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2ppv s GLN 83 N -2.75 1.55 -1.51 -3.83 -0.21 -0.42 -4.81 119.66 107.69 2ppv s GLN 83 Ca 0.17 -0.30 -0.12 0.00 0.02 0.00 0.00 55.36 55.13 2ppv s GLN 83 Cb 0.15 -1.48 0.07 0.00 1.00 0.00 0.00 33.01 32.76 2ppv s GLN 83 CO 0.38 -0.15 0.91 0.28 -2.12 0.00 0.00 175.29 174.59 2ppv n VAL 84 N 4.48 -2.37 -2.25 1.09 0.31 -1.26 -1.45 118.33 116.88 2ppv n VAL 84 Ca -0.17 -0.10 -0.15 0.00 -0.01 0.00 0.00 64.34 63.91 2ppv n VAL 84 Cb 0.51 -2.90 -0.02 0.00 -0.91 0.00 0.00 33.84 30.52 2ppv n VAL 84 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2ppv n ASP 85 N -2.86 -4.48 -1.72 4.52 8.00 -1.26 -1.09 116.55 117.66 2ppv n ASP 85 Ca -0.02 0.17 -0.19 0.00 0.71 0.00 0.00 54.79 55.46 2ppv n ASP 85 Cb 0.55 -3.83 -0.06 0.00 -0.02 0.00 0.00 41.12 37.77 2ppv n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ppv n GLY 86 N -0.77 1.11 3.70 0.44 0.00 -0.53 -4.90 105.19 104.24 2ppv n GLY 86 Ca -0.18 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 2ppv n GLY 86 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ppv n HIS 87 N -2.96 1.66 -2.44 1.61 8.25 -0.25 -4.43 115.22 116.65 2ppv n HIS 87 Ca -0.20 0.42 -0.42 0.00 -0.26 0.00 0.00 57.72 57.26 2ppv n HIS 87 Cb 0.65 -2.24 -0.03 0.00 1.12 0.00 0.00 29.99 29.49 2ppv n HIS 87 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2ppv s SER 88 N -1.33 7.06 0.24 0.41 0.15 -1.26 -1.18 113.70 117.79 2ppv s SER 88 Ca 0.81 1.88 -0.02 0.00 0.70 0.00 0.00 55.95 59.32 2ppv s SER 88 Cb -0.39 -2.56 0.26 0.00 -1.71 0.00 0.00 66.02 61.62 2ppv s SER 88 CO 0.42 -0.55 1.66 0.25 1.20 0.00 0.00 173.24 176.23 2ppv h LEU 89 N 7.77 0.69 -0.89 3.45 5.85 -1.22 -2.28 115.31 128.68 2ppv h LEU 89 Ca -0.37 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.12 2ppv h LEU 89 Cb 1.18 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 2ppv h LEU 89 CO 0.86 0.90 0.58 1.23 -0.34 0.00 0.00 178.44 181.67 2ppv h GLY 90 N 0.98 1.26 1.04 3.75 0.00 -1.61 -0.55 103.07 107.94 2ppv h GLY 90 Ca 0.09 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 2ppv h GLY 90 CO 0.05 0.47 0.30 3.43 0.00 0.00 0.00 176.54 180.79 2ppv h ASN 91 N 1.21 1.04 -0.59 0.19 2.35 -1.76 -0.11 115.58 117.91 2ppv h ASN 91 Ca 0.32 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 2ppv h ASN 91 Cb -0.12 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 37.95 2ppv h ASN 91 CO -0.07 0.93 0.21 -0.07 -1.65 0.00 0.00 177.43 176.78 2ppv h LEU 92 N 1.09 0.88 -0.39 1.61 3.38 -0.81 -0.43 115.31 120.64 2ppv h LEU 92 Ca 0.25 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 2ppv h LEU 92 Cb 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2ppv h LEU 92 CO -0.02 0.81 -0.18 0.58 0.09 0.00 0.00 178.44 179.72 2ppv h VAL 93 N 0.92 1.28 -0.40 1.22 2.07 -0.88 -1.23 116.25 119.23 2ppv h VAL 93 Ca 0.21 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 2ppv h VAL 93 Cb 0.25 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2ppv h VAL 93 CO -0.01 0.44 0.25 0.40 0.02 0.00 0.00 177.57 178.66 2ppv h ILE 94 N 0.61 1.12 -0.48 4.57 2.04 -0.79 -2.96 117.51 121.63 2ppv h ILE 94 Ca 0.09 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.75 2ppv h ILE 94 Cb 0.74 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 2ppv h ILE 94 CO 0.06 0.12 0.18 0.00 0.00 0.00 0.00 178.15 178.51 2ppv h ALA 95 N 1.12 0.59 0.00 1.87 0.00 -0.99 -0.16 119.26 121.69 2ppv h ALA 95 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2ppv h ALA 95 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ppv h ALA 95 CO -0.03 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.43 2ppv n GLY 96 N -1.26 0.45 1.06 0.00 0.00 -0.47 -1.38 105.19 103.60 2ppv n GLY 96 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2ppv n GLY 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ppv n THR 98 N 0.57 0.00 -0.01 2.61 -1.04 -0.07 -1.19 114.28 115.15 2ppv n THR 98 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 2ppv n THR 98 Cb 0.09 0.00 0.46 0.00 -1.82 0.00 0.00 70.33 69.07 2ppv n THR 98 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2ppv h ASN 99 N 0.00 0.41 -0.02 8.00 2.35 -1.49 0.26 115.58 125.09 2ppv h ASN 99 Ca 0.00 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2ppv h ASN 99 Cb 0.00 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2ppv h ASN 99 CO 0.00 0.28 -0.10 0.40 -1.65 0.00 0.00 177.43 176.36 2ppv h ILE 100 N 0.47 1.51 0.00 2.81 2.04 -1.42 -3.34 117.51 119.58 2ppv h ILE 100 Ca 0.18 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.38 2ppv h ILE 100 Cb 0.14 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 2ppv h ILE 100 CO -0.04 0.45 -0.26 0.71 0.00 0.00 0.00 178.15 179.00 2ppv h THR 101 N -0.53 0.00 -3.40 -0.27 1.35 -1.82 -3.48 112.91 104.77 2ppv h THR 101 Ca -0.01 -0.77 -0.31 0.00 -0.55 0.00 0.00 66.41 64.77 2ppv h THR 101 Cb 0.78 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 2ppv h THR 101 CO 0.02 0.00 -0.39 -3.20 -0.25 0.00 0.00 175.52 171.70 2ppv n ASN 102 N -2.64 -4.63 -3.15 5.36 5.15 0.91 -4.94 115.26 111.32 2ppv n ASN 102 Ca 0.04 0.13 0.04 0.00 -0.60 0.00 0.00 54.58 54.19 2ppv n ASN 102 Cb 0.49 -3.91 -0.01 0.00 -0.53 0.00 0.00 39.78 35.82 2ppv n ASN 102 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2ppv s ASP 103 N -2.05 -1.31 0.11 1.20 -1.08 -1.22 -5.06 116.67 107.27 2ppv s ASP 103 Ca 0.00 0.79 -0.19 0.00 -0.52 0.00 0.00 52.55 52.63 2ppv s ASP 103 Cb 0.00 2.09 -0.07 0.00 -1.46 0.00 0.00 42.92 43.48 2ppv s ASP 103 CO 0.00 -0.24 1.71 0.15 0.52 0.00 0.00 175.17 177.31 2ppv h PHE 104 N 8.00 0.30 -0.65 -5.34 3.57 -1.86 -0.91 116.94 120.05 2ppv h PHE 104 Ca -0.21 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.35 2ppv h PHE 104 Cb 1.16 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.75 2ppv h PHE 104 CO 0.10 0.26 0.35 0.78 -2.23 0.00 0.00 178.31 177.57 2ppv h GLY 105 N 0.25 0.95 1.02 2.40 0.00 -1.93 -0.43 103.07 105.33 2ppv h GLY 105 Ca 0.08 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 2ppv h GLY 105 CO -0.01 0.13 0.20 0.45 0.00 0.00 0.00 176.54 177.31 2ppv h HIS 106 N 0.64 1.04 -0.73 5.60 3.86 -1.93 -2.19 115.15 121.43 2ppv h HIS 106 Ca 0.30 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.41 2ppv h HIS 106 Cb 0.21 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.35 2ppv h HIS 106 CO -0.09 0.85 0.48 0.00 0.86 0.00 0.00 177.93 180.02 2ppv h ALA 107 N 1.08 0.93 -0.79 2.45 0.00 -0.51 -0.83 119.26 121.59 2ppv h ALA 107 Ca 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2ppv h ALA 107 Cb 0.29 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2ppv h ALA 107 CO -0.01 0.36 0.36 0.82 0.00 0.00 0.00 179.25 180.78 2ppv h ILE 108 N 0.99 1.25 -0.25 0.00 1.08 -0.91 -0.99 117.51 118.69 2ppv h ILE 108 Ca 0.27 -0.75 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2ppv h ILE 108 Cb -0.10 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 33.91 2ppv h ILE 108 CO -0.06 0.31 0.14 0.11 -0.69 0.00 0.00 178.15 177.97 2ppv h LYS 109 N 1.13 0.35 -0.33 2.37 1.57 -1.01 -0.33 116.57 120.32 2ppv h LYS 109 Ca 0.27 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2ppv h LYS 109 Cb 0.16 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2ppv h LYS 109 CO -0.03 0.30 0.18 0.93 -0.57 0.00 0.00 179.45 180.26 2ppv h GLU 110 N 0.30 0.47 -0.58 3.15 4.39 -0.95 -2.50 114.58 118.85 2ppv h GLU 110 Ca 0.09 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 2ppv h GLU 110 Cb 0.05 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 2ppv h GLU 110 CO -0.01 0.40 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.15 2ppv h LEU 111 N 0.41 1.01 -0.92 1.33 3.38 -1.13 -1.83 115.31 117.56 2ppv h LEU 111 Ca 0.12 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.88 2ppv h LEU 111 Cb 0.07 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 2ppv h LEU 111 CO -0.02 1.07 0.57 0.28 0.09 0.00 0.00 178.44 180.43 2ppv h SER 112 N 0.94 0.88 -0.21 -0.43 0.02 -0.95 -1.09 113.55 112.70 2ppv h SER 112 Ca 0.17 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.03 2ppv h SER 112 Cb 0.56 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 2ppv h SER 112 CO 0.03 0.54 -0.29 0.50 -1.14 0.00 0.00 176.83 176.46 2ppv h LYS 113 N 1.00 0.58 -0.30 3.45 3.64 -1.18 -2.57 116.57 121.19 2ppv h LYS 113 Ca 0.41 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2ppv h LYS 113 Cb 0.25 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2ppv h LYS 113 CO -0.20 0.94 0.12 0.28 -2.27 0.00 0.00 179.45 178.32 2ppv h VAL 114 N 0.26 1.12 -0.07 2.00 2.07 -1.16 -1.82 116.25 118.65 2ppv h VAL 114 Ca 0.02 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2ppv h VAL 114 Cb 0.87 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2ppv h VAL 114 CO 0.07 0.14 0.00 0.18 0.02 0.00 0.00 177.57 177.98 2ppv n LEU 115 N -4.41 1.10 -3.92 2.57 4.77 -0.43 -4.95 117.00 111.73 2ppv n LEU 115 Ca 0.01 -0.43 -0.26 0.00 -0.03 0.00 0.00 56.01 55.31 2ppv n LEU 115 Cb 0.13 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2ppv n LEU 115 CO 0.36 0.21 -0.13 -3.20 -1.33 0.00 0.00 177.39 173.31 2ppv n ASN 116 N -0.09 -1.41 -4.83 -1.43 4.05 -0.68 -4.62 115.26 106.26 2ppv n ASN 116 Ca 0.18 -0.93 -0.31 0.00 0.45 0.00 0.00 54.58 53.96 2ppv n ASN 116 Cb 0.26 -3.37 0.03 0.00 1.23 0.00 0.00 39.78 37.94 2ppv n ASN 116 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 2ppv s ILE 117 N -3.73 4.14 -0.37 -1.44 -4.36 -1.07 -4.77 121.20 109.61 2ppv s ILE 117 Ca 0.17 0.75 -0.03 0.00 -0.26 0.00 0.00 60.65 61.28 2ppv s ILE 117 Cb -0.09 -3.49 0.09 0.00 1.25 0.00 0.00 42.46 40.21 2ppv s ILE 117 CO 0.87 -0.86 0.13 -0.54 0.24 0.00 0.00 174.94 174.77 2ppv s LYS 118 N -4.91 2.16 0.00 0.37 -0.14 -0.35 -4.94 119.74 111.93 2ppv s LYS 118 Ca 0.58 -1.60 0.00 0.00 -1.36 0.00 0.00 55.97 53.59 2ppv s LYS 118 Cb -0.14 -3.43 0.00 0.00 -1.68 0.00 0.00 37.83 32.58 2ppv s LYS 118 CO 0.52 -0.89 0.00 0.41 -0.76 0.00 0.00 175.35 174.62 2ppv n GLY 119 N 4.61 0.47 3.10 -3.33 0.00 -1.26 -4.73 105.19 104.05 2ppv n GLY 119 Ca -0.06 -2.20 -0.12 0.00 0.00 0.00 0.00 46.02 43.65 2ppv n GLY 119 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ppv s GLN 120 N -0.55 0.40 -0.09 1.61 -2.07 -0.25 -5.00 119.66 113.72 2ppv s GLN 120 Ca 0.00 -0.14 0.03 0.00 -1.82 0.00 0.00 55.36 53.42 2ppv s GLN 120 Cb 0.00 0.18 0.01 0.00 -1.09 0.00 0.00 33.01 32.10 2ppv s GLN 120 CO 0.00 -0.09 -0.17 0.08 -1.32 0.00 0.00 175.29 173.79 2ppv s VAL 121 N -0.85 1.53 -0.06 3.63 1.01 -1.26 -1.13 120.40 123.28 2ppv s VAL 121 Ca -0.09 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2ppv s VAL 121 Cb -0.05 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.98 2ppv s VAL 121 CO 0.01 0.44 -0.07 -0.63 0.00 0.00 0.00 175.10 174.86 2ppv s ILE 122 N 0.60 0.74 0.48 2.22 1.01 -0.02 -4.84 121.20 121.39 2ppv s ILE 122 Ca -0.15 -0.22 -0.23 0.00 0.00 0.00 0.00 60.65 60.05 2ppv s ILE 122 Cb -0.16 -0.74 -0.07 0.00 0.01 0.00 0.00 42.46 41.50 2ppv s ILE 122 CO 0.05 0.28 1.28 -2.16 0.00 0.00 0.00 174.94 174.39 2ppv s PRO 123 N 0.99 3.55 0.50 2.79 0.04 -1.26 -1.30 135.00 140.30 2ppv s PRO 123 Ca -0.09 2.07 0.15 0.00 0.04 0.00 0.00 61.00 63.16 2ppv s PRO 123 Cb -0.14 -2.43 1.18 0.00 0.04 0.00 0.00 34.50 33.14 2ppv s PRO 123 CO 0.00 -0.81 2.11 0.66 0.04 0.00 0.00 177.00 179.00 2ppv h SER 124 N 1.96 0.03 -5.04 6.66 4.64 -1.44 -3.44 113.55 116.92 2ppv h SER 124 Ca -0.50 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.75 2ppv h SER 124 Cb 1.27 -0.01 -0.16 0.00 -0.31 0.00 0.00 62.40 63.19 2ppv h SER 124 CO 0.60 0.06 -0.06 0.28 -0.87 0.00 0.00 176.83 176.84 2ppv s THR 125 N -5.00 0.05 -0.86 2.95 -1.32 -1.26 -4.26 115.64 105.95 2ppv s THR 125 Ca -0.05 -0.42 0.27 0.00 -1.21 0.00 0.00 61.69 60.28 2ppv s THR 125 Cb 0.17 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.39 2ppv s THR 125 CO 0.68 -0.23 1.79 -3.20 -2.21 0.00 0.00 174.62 171.45 2ppv n ASN 126 N 0.33 0.44 -4.85 8.08 5.15 -1.26 -4.90 115.26 118.26 2ppv n ASN 126 Ca -0.18 0.46 -0.32 0.00 -0.60 0.00 0.00 54.58 53.94 2ppv n ASN 126 Cb 0.61 -0.53 -0.04 0.00 -0.53 0.00 0.00 39.78 39.29 2ppv n ASN 126 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ppv s ALA 127 N -3.06 3.14 -0.28 5.20 0.00 -1.26 -4.78 121.76 120.72 2ppv s ALA 127 Ca 0.12 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.90 2ppv s ALA 127 Cb 0.16 -3.02 0.01 0.00 0.00 0.00 0.00 23.12 20.27 2ppv s ALA 127 CO 0.58 -0.12 1.10 -1.12 0.00 0.00 0.00 175.76 176.20 2ppv s SER 128 N -2.96 6.96 0.12 0.00 0.01 -1.26 -4.63 113.70 111.94 2ppv s SER 128 Ca 0.57 1.19 0.02 0.00 1.31 0.00 0.00 55.95 59.05 2ppv s SER 128 Cb -0.10 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 2ppv s SER 128 CO 0.29 -0.83 -0.06 0.68 0.41 0.00 0.00 173.24 173.72 2ppv s VAL 129 N 3.58 0.80 0.10 3.43 -7.23 -1.26 -4.53 120.40 115.30 2ppv s VAL 129 Ca 0.46 -1.97 0.10 0.00 -1.81 0.00 0.00 61.98 58.77 2ppv s VAL 129 Cb -0.14 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 2ppv s VAL 129 CO 0.13 -0.77 -0.27 -1.10 -0.31 0.00 0.00 175.10 172.78 2ppv s GLN 130 N -3.83 1.53 -0.17 4.82 -1.52 -0.40 -4.61 119.66 115.48 2ppv s GLN 130 Ca 0.15 -1.28 -0.09 0.00 -1.95 0.00 0.00 55.36 52.20 2ppv s GLN 130 Cb 0.05 -1.93 -0.05 0.00 -0.22 0.00 0.00 33.01 30.87 2ppv s GLN 130 CO -0.02 0.47 0.12 -1.17 -0.25 0.00 0.00 175.29 174.44 2ppv s LEU 131 N -1.81 4.20 0.20 2.90 2.96 -1.26 -1.09 118.68 124.78 2ppv s LEU 131 Ca 0.13 0.28 0.08 0.00 -0.22 0.00 0.00 54.13 54.41 2ppv s LEU 131 Cb -0.10 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 2ppv s LEU 131 CO 0.05 0.26 -0.16 0.20 -1.32 0.00 0.00 176.35 175.37 2ppv s ASN 132 N -0.10 2.69 0.03 3.68 0.01 0.14 -1.05 114.94 120.34 2ppv s ASN 132 Ca 0.10 -0.98 0.05 0.00 -0.71 0.00 0.00 52.86 51.33 2ppv s ASN 132 Cb -0.11 -0.16 -0.02 0.00 0.41 0.00 0.00 41.25 41.37 2ppv s ASN 132 CO 0.00 -0.11 -0.16 0.00 -1.51 0.00 0.00 177.10 175.32 2ppv s ALA 133 N -2.67 1.34 0.33 0.60 0.00 -0.21 -1.03 121.76 120.12 2ppv s ALA 133 Ca 0.21 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.36 2ppv s ALA 133 Cb -0.03 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.90 2ppv s ALA 133 CO 0.07 0.28 0.42 0.28 0.00 0.00 0.00 175.76 176.82 2ppv n VAL 134 N 2.04 0.00 0.04 0.00 0.31 -0.18 -0.79 118.33 119.75 2ppv n VAL 134 Ca -0.17 -0.95 -0.18 0.00 -0.01 0.00 0.00 64.34 63.03 2ppv n VAL 134 Cb 0.54 -0.81 -0.14 0.00 -0.91 0.00 0.00 33.84 32.52 2ppv n VAL 134 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2ppv h GLU 136 N 0.00 0.24 0.00 5.55 3.07 -0.17 0.19 114.58 123.46 2ppv h GLU 136 Ca -0.14 -0.41 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 2ppv h GLU 136 Cb 0.63 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 2ppv h GLU 136 CO 0.19 1.08 0.00 -0.40 -1.40 0.00 0.00 179.01 178.49 2ppv n ASP 137 N -3.42 0.00 0.00 1.42 5.75 -1.26 -4.92 116.55 114.11 2ppv n ASP 137 Ca -0.22 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.51 2ppv n ASP 137 Cb 1.05 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 2ppv n ASP 137 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ppv n GLY 138 N 1.23 0.25 3.69 6.12 0.00 -1.26 -5.07 105.19 110.15 2ppv n GLY 138 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 2ppv n GLY 138 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ppv n GLU 139 N -1.77 2.20 -3.61 1.61 2.13 -1.26 -4.99 120.64 114.95 2ppv n GLU 139 Ca 0.00 0.78 -0.36 0.00 0.66 0.00 0.00 57.16 58.24 2ppv n GLU 139 Cb 0.00 -2.48 -0.08 0.00 0.27 0.00 0.00 31.44 29.15 2ppv n GLU 139 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2ppv s ILE 140 N 0.05 5.34 -0.07 6.31 -1.09 -1.26 -4.26 121.20 126.21 2ppv s ILE 140 Ca 0.68 0.37 0.03 0.00 -2.23 0.00 0.00 60.65 59.51 2ppv s ILE 140 Cb -0.62 -3.56 -0.02 0.00 -1.58 0.00 0.00 42.46 36.68 2ppv s ILE 140 CO 0.48 0.38 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.73 2ppv s VAL 141 N 0.63 2.88 -0.21 2.92 1.01 0.03 -4.99 120.40 122.67 2ppv s VAL 141 Ca 0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2ppv s VAL 141 Cb -0.13 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 2ppv s VAL 141 CO 0.02 0.57 -0.04 -1.00 0.00 0.00 0.00 175.10 174.65 2ppv s HIS 142 N -0.33 2.96 0.00 5.22 0.09 -1.26 -1.04 115.29 120.93 2ppv s HIS 142 Ca 0.03 -0.84 0.00 0.00 -0.00 0.00 0.00 55.06 54.24 2ppv s HIS 142 Cb -0.13 -2.09 0.00 0.00 -0.00 0.00 0.00 32.58 30.36 2ppv s HIS 142 CO 0.02 -0.49 0.00 0.41 -0.00 0.00 0.00 174.74 174.69 2ppv n GLY 143 N 4.67 1.86 0.27 -2.22 0.00 -0.21 -4.48 105.19 105.07 2ppv n GLY 143 Ca -0.18 -1.63 0.05 0.00 0.00 0.00 0.00 46.02 44.26 2ppv n GLY 143 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ppv h GLU 144 N 0.00 0.24 -0.46 1.61 4.81 -1.76 -2.57 114.58 116.46 2ppv h GLU 144 Ca 0.00 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 2ppv h GLU 144 Cb 0.00 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2ppv h GLU 144 CO 0.00 0.25 -0.04 1.15 -0.73 0.00 0.00 179.01 179.64 2ppv h THR 145 N 0.24 1.25 0.00 0.32 2.02 -1.90 -3.00 112.91 111.84 2ppv h THR 145 Ca 0.06 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.18 2ppv h THR 145 Cb 0.13 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2ppv h THR 145 CO -0.00 0.37 -0.17 0.78 0.37 0.00 0.00 175.52 176.87 2ppv h ASN 146 N 0.72 0.00 -0.34 4.18 2.35 -1.68 -3.38 115.58 117.43 2ppv h ASN 146 Ca 0.14 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2ppv h ASN 146 Cb 0.50 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 2ppv h ASN 146 CO 0.03 0.01 0.22 0.40 -1.65 0.00 0.00 177.43 176.43 2ppv h ILE 147 N 0.00 1.10 0.00 2.81 2.04 -1.37 -2.21 117.51 119.88 2ppv h ILE 147 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2ppv h ILE 147 Cb 0.93 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2ppv h ILE 147 CO 0.00 0.10 -0.33 -0.81 0.00 0.00 0.00 178.15 177.11 2ppv n PRO 148 N -4.83 0.02 -0.94 2.37 -0.05 -1.26 -4.14 135.00 126.16 2ppv n PRO 148 Ca -0.01 0.01 -0.19 0.00 -0.05 0.00 0.00 63.50 63.26 2ppv n PRO 148 Cb 0.04 -1.51 0.12 0.00 -0.05 0.00 0.00 33.50 32.09 2ppv n PRO 148 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 2ppv n LYS 149 N -1.54 1.98 0.00 0.54 4.81 -0.83 -4.39 118.16 118.73 2ppv n LYS 149 Ca 0.06 -2.26 0.00 0.00 -0.87 0.00 0.00 58.31 55.24 2ppv n LYS 149 Cb 0.34 -1.89 0.00 0.00 0.02 0.00 0.00 35.03 33.51 2ppv n LYS 149 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2ppv n THR 150 N -0.64 0.00 0.00 3.15 -2.24 -1.23 -5.01 114.28 108.31 2ppv n THR 150 Ca 0.45 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 2ppv n THR 150 Cb 1.24 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 2ppv n THR 150 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2ppv n HIS 151 N 0.00 0.00 -4.27 4.78 -0.00 -1.26 -5.02 115.22 109.45 2ppv n HIS 151 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 2ppv n HIS 151 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 2ppv n HIS 151 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 2ppv s LYS 152 N 0.00 1.14 0.18 -0.41 0.00 -1.26 -5.11 119.74 114.28 2ppv s LYS 152 Ca 0.00 -1.53 -0.32 0.00 0.00 0.00 0.00 55.97 54.13 2ppv s LYS 152 Cb 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 37.83 37.16 2ppv s LYS 152 CO 0.00 -0.01 1.64 0.21 0.00 0.00 0.00 175.35 177.19 2ppv s LYS 153 N -3.81 4.17 0.07 1.78 2.20 -1.26 -4.87 119.74 118.03 2ppv s LYS 153 Ca 0.21 2.47 -0.31 0.00 -0.36 0.00 0.00 55.97 57.98 2ppv s LYS 153 Cb 0.04 -3.12 -0.07 0.00 -1.51 0.00 0.00 37.83 33.17 2ppv s LYS 153 CO 0.03 -0.67 1.35 0.42 -0.36 0.00 0.00 175.35 176.12 2ppv s ILE 154 N 1.18 3.59 -0.16 5.43 1.01 -1.26 0.58 121.20 131.56 2ppv s ILE 154 Ca 0.72 1.10 -0.23 0.00 0.00 0.00 0.00 60.65 62.25 2ppv s ILE 154 Cb -0.46 -3.71 -0.23 0.00 0.01 0.00 0.00 42.46 38.07 2ppv s ILE 154 CO 0.32 0.06 0.47 -0.78 0.00 0.00 0.00 174.94 175.00 2ppv h ASP 155 N 7.10 0.09 -5.01 3.58 3.58 -1.01 -3.44 116.42 121.31 2ppv h ASP 155 Ca -0.41 -0.74 -0.02 0.00 0.42 0.00 0.00 57.03 56.28 2ppv h ASP 155 Cb 1.20 -0.03 -0.12 0.00 1.72 0.00 0.00 39.33 42.10 2ppv h ASP 155 CO 0.86 1.36 0.17 0.00 -2.88 0.00 0.00 179.24 178.76 2ppv s ARG 156 N -2.34 1.28 0.24 0.28 1.70 -1.12 -5.02 118.95 113.96 2ppv s ARG 156 Ca -0.24 -0.52 0.09 0.00 -0.47 0.00 0.00 55.73 54.59 2ppv s ARG 156 Cb 0.03 0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 34.94 2ppv s ARG 156 CO 0.66 -0.55 -0.03 0.14 -1.08 0.00 0.00 175.30 174.43 2ppv s VAL 157 N -3.76 3.36 0.12 4.99 -7.23 -1.26 -1.01 120.40 115.60 2ppv s VAL 157 Ca 0.02 -1.84 -0.18 0.00 -1.81 0.00 0.00 61.98 58.17 2ppv s VAL 157 Cb -0.01 -2.76 0.04 0.00 0.56 0.00 0.00 36.38 34.21 2ppv s VAL 157 CO -0.12 -0.30 0.44 0.72 -0.31 0.00 0.00 175.10 175.53 2ppv s PHE 158 N -2.15 -0.28 0.03 2.82 -0.71 -0.20 -4.97 117.98 112.53 2ppv s PHE 158 Ca 0.30 0.03 -0.02 0.00 -1.04 0.00 0.00 56.93 56.20 2ppv s PHE 158 Cb -0.07 0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 2ppv s PHE 158 CO 0.18 -0.71 0.21 -0.51 -1.34 0.00 0.00 175.22 173.05 2ppv s LEU 159 N -2.66 4.36 -0.12 -1.99 1.43 -1.26 -0.68 118.68 117.75 2ppv s LEU 159 Ca 0.01 0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2ppv s LEU 159 Cb 0.01 -2.81 0.02 0.00 0.03 0.00 0.00 46.19 43.44 2ppv s LEU 159 CO -0.11 0.21 -0.10 -0.70 0.23 0.00 0.00 176.35 175.89 2ppv s GLU 160 N -2.23 1.78 0.68 1.70 2.12 -0.25 -2.66 118.70 119.84 2ppv s GLU 160 Ca 0.32 -0.35 -0.16 0.00 0.36 0.00 0.00 54.97 55.13 2ppv s GLU 160 Cb -0.13 -1.76 0.01 0.00 0.26 0.00 0.00 34.13 32.52 2ppv s GLU 160 CO 0.23 -0.26 1.20 -1.25 -0.54 0.00 0.00 175.26 174.65 2ppv s PRO 161 N 1.64 2.43 0.21 4.30 0.04 -1.26 -1.28 135.00 141.08 2ppv s PRO 161 Ca 0.05 1.76 0.23 0.00 0.04 0.00 0.00 61.00 63.08 2ppv s PRO 161 Cb -0.13 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 32.68 2ppv s PRO 161 CO -0.09 -1.61 1.19 0.66 0.04 0.00 0.00 177.00 177.19 2ppv h SER 162 N 0.07 0.00 0.00 6.66 4.64 -1.92 -3.39 113.55 119.62 2ppv h SER 162 Ca -0.48 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2ppv h SER 162 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2ppv h SER 162 CO 0.52 0.03 0.00 -0.67 -0.87 0.00 0.00 176.83 175.83 2ppv n ASP 163 N -2.59 0.83 -4.82 4.97 2.03 -1.26 -4.82 116.55 110.89 2ppv n ASP 163 Ca 0.01 -1.87 -0.33 0.00 0.52 0.00 0.00 54.79 53.13 2ppv n ASP 163 Cb 0.52 -0.42 -0.05 0.00 -0.72 0.00 0.00 41.12 40.45 2ppv n ASP 163 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2ppv s VAL 164 N -1.11 4.23 0.03 5.18 -7.23 -1.26 -5.06 120.40 115.18 2ppv s VAL 164 Ca 0.00 1.32 -0.01 0.00 -1.81 0.00 0.00 61.98 61.49 2ppv s VAL 164 Cb 0.00 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 2ppv s VAL 164 CO 0.00 -0.37 0.16 -1.61 -0.31 0.00 0.00 175.10 172.98 2ppv s GLU 165 N -3.38 3.31 0.00 4.82 0.41 -1.26 -4.37 118.70 118.23 2ppv s GLU 165 Ca 0.63 -0.44 0.00 0.00 -0.41 0.00 0.00 54.97 54.75 2ppv s GLU 165 Cb -0.11 -2.99 0.00 0.00 -1.78 0.00 0.00 34.13 29.25 2ppv s GLU 165 CO 0.19 0.63 0.00 -0.35 -0.49 0.00 0.00 175.26 175.24 2ppv n PRO 166 N 0.67 0.00 -0.11 0.39 -0.04 -1.26 -4.14 135.00 130.51 2ppv n PRO 166 Ca -0.09 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.23 2ppv n PRO 166 Cb 0.52 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.85 2ppv n PRO 166 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ppv n ASN 168 N 0.00 1.37 0.19 3.54 3.02 -1.26 -4.84 115.26 117.27 2ppv n ASN 168 Ca 0.00 -0.08 0.03 0.00 -0.03 0.00 0.00 54.58 54.51 2ppv n ASN 168 Cb 0.00 0.16 0.36 0.00 -0.61 0.00 0.00 39.78 39.69 2ppv n ASN 168 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2ppv h GLU 169 N 0.00 0.00 -0.21 3.52 3.07 -1.99 -1.33 114.58 117.65 2ppv h GLU 169 Ca -0.53 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.21 2ppv h GLU 169 Cb 1.98 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.89 2ppv h GLU 169 CO -0.04 0.39 -0.32 0.00 -1.40 0.00 0.00 179.01 177.64 2ppv h ALA 170 N 1.61 0.32 -0.23 3.43 0.00 -1.96 -1.50 119.26 120.94 2ppv h ALA 170 Ca -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2ppv h ALA 170 Cb 0.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2ppv h ALA 170 CO 0.05 0.36 0.07 0.82 0.00 0.00 0.00 179.25 180.55 2ppv h ILE 171 N 0.27 1.19 -0.83 0.00 1.08 -1.89 -1.57 117.51 115.76 2ppv h ILE 171 Ca 0.02 -0.59 0.05 0.00 -0.39 0.00 0.00 64.86 63.94 2ppv h ILE 171 Cb 0.90 1.15 -0.06 0.00 -3.07 0.00 0.00 36.82 35.75 2ppv h ILE 171 CO 0.07 0.19 0.52 -0.08 -0.69 0.00 0.00 178.15 178.16 2ppv h GLU 172 N 0.20 0.94 -0.67 2.37 4.22 -1.26 -1.04 114.58 119.34 2ppv h GLU 172 Ca 0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.43 2ppv h GLU 172 Cb 0.23 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2ppv h GLU 172 CO -0.00 0.63 0.30 0.00 -2.18 0.00 0.00 179.01 177.75 2ppv h ALA 173 N 1.37 0.87 -0.59 2.92 0.00 -1.04 -1.71 119.26 121.09 2ppv h ALA 173 Ca 0.35 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2ppv h ALA 173 Cb 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2ppv h ALA 173 CO -0.15 0.46 0.21 -0.07 0.00 0.00 0.00 179.25 179.70 2ppv h LEU 174 N 0.94 0.84 -1.21 0.00 3.38 -0.89 -0.97 115.31 117.39 2ppv h LEU 174 Ca 0.23 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2ppv h LEU 174 Cb 0.16 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2ppv h LEU 174 CO -0.02 0.80 0.53 -0.33 0.09 0.00 0.00 178.44 179.51 2ppv h GLU 175 N 0.82 1.05 -0.38 1.13 5.08 -1.02 -3.19 114.58 118.08 2ppv h GLU 175 Ca 0.19 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2ppv h GLU 175 Cb 0.25 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2ppv h GLU 175 CO -0.01 0.70 0.00 1.04 -1.00 0.00 0.00 179.01 179.74 2ppv n GLN 176 N -4.41 2.45 -2.14 2.33 1.13 -0.66 -4.81 117.38 111.26 2ppv n GLN 176 Ca 0.09 -2.08 -0.35 0.00 -1.94 0.00 0.00 57.00 52.72 2ppv n GLN 176 Cb 0.03 -1.36 0.02 0.00 0.11 0.00 0.00 30.24 29.04 2ppv n GLN 176 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ppv s ALA 177 N -1.07 2.62 0.01 -1.58 0.00 -0.38 -4.87 121.76 116.49 2ppv s ALA 177 Ca 0.29 0.89 0.08 0.00 0.00 0.00 0.00 51.96 53.22 2ppv s ALA 177 Cb 0.16 -3.40 -0.23 0.00 0.00 0.00 0.00 23.12 19.65 2ppv s ALA 177 CO 0.21 -0.95 0.88 -0.44 0.00 0.00 0.00 175.76 175.46 2ppv h ASP 178 N 1.02 0.07 -3.92 0.00 3.32 -1.31 -3.41 116.42 112.18 2ppv h ASP 178 Ca -0.50 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.36 2ppv h ASP 178 Cb 1.28 -0.02 -0.22 0.00 0.22 0.00 0.00 39.33 40.58 2ppv h ASP 178 CO 0.56 1.09 -0.05 -0.22 -1.72 0.00 0.00 179.24 178.91 2ppv s LEU 179 N -6.45 -0.20 -0.14 1.55 2.96 -1.09 -4.27 118.68 111.03 2ppv s LEU 179 Ca -0.04 1.16 0.01 0.00 -0.22 0.00 0.00 54.13 55.04 2ppv s LEU 179 Cb 0.08 1.96 0.00 0.00 0.50 0.00 0.00 46.19 48.74 2ppv s LEU 179 CO 0.83 -0.20 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.84 2ppv s ILE 180 N 0.34 2.38 -0.17 6.68 1.01 -0.27 -1.18 121.20 130.00 2ppv s ILE 180 Ca -0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 2ppv s ILE 180 Cb -0.04 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 2ppv s ILE 180 CO 0.00 0.53 -0.10 -0.69 0.00 0.00 0.00 174.94 174.68 2ppv s VAL 181 N 0.75 3.10 -0.21 2.92 1.01 0.15 -0.53 120.40 127.59 2ppv s VAL 181 Ca -0.07 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 2ppv s VAL 181 Cb -0.16 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2ppv s VAL 181 CO 0.00 0.49 0.05 -0.76 0.00 0.00 0.00 175.10 174.88 2ppv s LEU 182 N 0.88 3.54 0.00 3.92 1.02 0.60 -0.61 118.68 128.03 2ppv s LEU 182 Ca -0.03 -0.09 0.00 0.00 0.02 0.00 0.00 54.13 54.03 2ppv s LEU 182 Cb -0.15 -1.91 0.00 0.00 0.02 0.00 0.00 46.19 44.15 2ppv s LEU 182 CO 0.00 0.08 0.00 0.61 0.02 0.00 0.00 176.35 177.06 2ppv n GLY 183 N 4.19 -2.47 3.84 -3.19 0.00 -0.92 -0.89 105.19 105.75 2ppv n GLY 183 Ca -0.16 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 2ppv n GLY 183 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ppv s PRO 184 N -0.74 3.45 0.00 1.61 0.04 -1.26 -4.62 135.00 133.48 2ppv s PRO 184 Ca 0.00 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.93 2ppv s PRO 184 Cb 0.00 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2ppv s PRO 184 CO 0.00 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.76 2ppv n GLY 185 N -2.17 0.75 3.68 0.56 0.00 -1.26 -3.84 105.19 102.90 2ppv n GLY 185 Ca 0.07 -1.17 -0.47 0.00 0.00 0.00 0.00 46.02 44.45 2ppv n GLY 185 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ppv n SER 186 N 0.00 3.42 0.14 1.61 7.64 -1.26 -4.85 113.62 120.31 2ppv n SER 186 Ca 0.00 1.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.75 2ppv n SER 186 Cb 0.00 -1.41 -0.06 0.00 -1.01 0.00 0.00 64.21 61.73 2ppv n SER 186 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2ppv h LEU 187 N 8.28 -0.58 0.07 -3.43 5.85 -1.96 -0.32 115.31 123.21 2ppv h LEU 187 Ca -0.47 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.19 2ppv h LEU 187 Cb 1.26 0.21 0.01 0.00 0.37 0.00 0.00 40.66 42.51 2ppv h LEU 187 CO 0.93 -0.31 -0.52 1.88 -0.34 0.00 0.00 178.44 180.08 2ppv h TYR 188 N -0.44 0.25 0.00 1.25 0.05 -1.91 0.27 116.97 116.45 2ppv h TYR 188 Ca 0.01 -0.18 -0.16 0.00 0.05 0.00 0.00 58.73 58.45 2ppv h TYR 188 Cb 0.43 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 2ppv h TYR 188 CO -0.17 1.20 -0.82 1.79 -1.05 0.00 0.00 178.16 179.11 2ppv h THR 189 N -0.70 1.19 0.00 -2.88 1.35 -1.97 -1.79 112.91 108.11 2ppv h THR 189 Ca -0.11 -2.72 -0.36 0.00 -0.55 0.00 0.00 66.41 62.68 2ppv h THR 189 Cb 1.34 2.57 -0.07 0.00 -1.73 0.00 0.00 68.15 70.26 2ppv h THR 189 CO 0.05 0.68 -2.35 -1.20 -0.25 0.00 0.00 175.52 172.44 2ppv n SER 190 N -3.25 1.64 -0.09 5.36 7.64 -0.20 -4.55 113.62 120.18 2ppv n SER 190 Ca -0.00 -0.09 -0.10 0.00 1.01 0.00 0.00 58.87 59.68 2ppv n SER 190 Cb 0.84 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.99 2ppv n SER 190 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2ppv n VAL 191 N -3.07 1.48 0.09 0.44 0.31 -0.81 -3.39 118.33 113.38 2ppv n VAL 191 Ca -0.40 0.11 0.02 0.00 -0.01 0.00 0.00 64.34 64.07 2ppv n VAL 191 Cb 1.00 -2.31 0.38 0.00 -0.91 0.00 0.00 33.84 31.99 2ppv n VAL 191 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2ppv h ILE 192 N -1.00 1.18 -0.87 2.52 2.04 -0.99 -2.04 117.51 118.35 2ppv h ILE 192 Ca -0.07 -0.75 0.20 0.00 1.00 0.00 0.00 64.86 65.24 2ppv h ILE 192 Cb 0.93 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 38.08 2ppv h ILE 192 CO -0.04 0.24 0.58 0.77 0.00 0.00 0.00 178.15 179.70 2ppv h SER 193 N 0.29 0.33 -0.16 1.72 4.64 -1.56 0.22 113.55 119.04 2ppv h SER 193 Ca 0.06 0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.27 2ppv h SER 193 Cb 0.35 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2ppv h SER 193 CO 0.02 0.14 -0.42 0.78 -0.87 0.00 0.00 176.83 176.48 2ppv h ASN 194 N 0.34 0.75 1.11 4.97 2.35 -1.60 -3.19 115.58 120.31 2ppv h ASN 194 Ca 0.44 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2ppv h ASN 194 Cb 1.20 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.35 2ppv h ASN 194 CO -0.14 1.07 0.00 -0.07 -1.65 0.00 0.00 177.43 176.64 2ppv h LEU 195 N 0.57 0.00 -1.89 1.61 3.38 -0.62 -2.49 115.31 115.86 2ppv h LEU 195 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2ppv h LEU 195 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2ppv h LEU 195 CO 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.59 2ppv s VAL 197 N -3.86 3.95 0.25 0.00 1.01 -0.94 -4.84 120.40 115.97 2ppv s VAL 197 Ca -0.01 0.97 -0.04 0.00 0.00 0.00 0.00 61.98 62.90 2ppv s VAL 197 Cb 0.11 -4.26 0.22 0.00 0.00 0.00 0.00 36.38 32.45 2ppv s VAL 197 CO 0.52 -0.79 1.80 0.50 0.00 0.00 0.00 175.10 177.14 2ppv h LYS 198 N 10.48 0.75 0.00 2.72 1.63 -1.77 -1.17 116.57 129.23 2ppv h LYS 198 Ca -0.27 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.46 2ppv h LYS 198 Cb 1.10 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.56 2ppv h LYS 198 CO 1.09 0.50 -0.10 0.78 -3.45 0.00 0.00 179.45 178.27 2ppv h GLY 199 N 0.78 0.00 0.54 5.01 0.00 -1.91 0.07 103.07 107.56 2ppv h GLY 199 Ca 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.71 2ppv h GLY 199 CO -0.26 0.00 -0.08 -2.22 0.00 0.00 0.00 176.54 173.98 2ppv h ILE 200 N 0.00 1.42 -0.77 2.60 1.08 -1.52 -1.70 117.51 118.63 2ppv h ILE 200 Ca -0.00 -1.38 0.01 0.00 -0.39 0.00 0.00 64.86 63.09 2ppv h ILE 200 Cb 0.21 2.24 -0.04 0.00 -3.07 0.00 0.00 36.82 36.16 2ppv h ILE 200 CO 0.01 0.38 0.51 0.28 -0.69 0.00 0.00 178.15 178.64 2ppv h SER 201 N -0.38 0.88 -0.52 1.72 0.02 -1.26 -1.39 113.55 112.61 2ppv h SER 201 Ca 0.00 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2ppv h SER 201 Cb 0.65 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 2ppv h SER 201 CO 0.02 0.64 0.25 -0.33 -1.14 0.00 0.00 176.83 176.27 2ppv h GLU 202 N 1.04 0.75 -0.99 3.45 5.08 -1.00 -2.27 114.58 120.64 2ppv h GLU 202 Ca 0.28 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 2ppv h GLU 202 Cb -0.12 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 28.94 2ppv h GLU 202 CO -0.06 0.62 0.65 0.00 -1.00 0.00 0.00 179.01 179.22 2ppv h ALA 203 N 1.09 1.29 -0.89 3.43 0.00 -1.08 -0.97 119.26 122.13 2ppv h ALA 203 Ca 0.18 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2ppv h ALA 203 Cb 0.12 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 2ppv h ALA 203 CO -0.02 0.57 0.59 -0.07 0.00 0.00 0.00 179.25 180.31 2ppv h LEU 204 N 1.27 0.99 -0.52 0.00 3.38 -0.86 -1.20 115.31 118.38 2ppv h LEU 204 Ca 0.38 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.19 2ppv h LEU 204 Cb -0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2ppv h LEU 204 CO -0.11 0.70 -0.70 -0.07 0.09 0.00 0.00 178.44 178.35 2ppv h LEU 205 N 1.17 0.00 0.02 1.67 3.38 -0.92 -3.32 115.31 117.30 2ppv h LEU 205 Ca 0.34 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.10 2ppv h LEU 205 Cb -0.07 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.70 2ppv h LEU 205 CO -0.09 0.70 -0.83 -0.09 0.09 0.00 0.00 178.44 178.22 2ppv h ARG 206 N 0.00 0.54 -6.97 1.13 2.43 -0.72 -3.46 114.38 107.32 2ppv h ARG 206 Ca -0.01 -0.60 -0.51 0.00 -0.81 0.00 0.00 59.98 58.06 2ppv h ARG 206 Cb 1.29 0.17 0.05 0.00 -0.42 0.00 0.00 29.97 31.07 2ppv h ARG 206 CO 0.09 1.22 0.49 -0.08 -1.51 0.00 0.00 179.97 180.18 2ppv s THR 207 N -3.20 3.17 -0.22 0.20 -1.32 -0.49 -4.93 115.64 108.86 2ppv s THR 207 Ca -0.12 0.93 0.29 0.00 -1.21 0.00 0.00 61.69 61.58 2ppv s THR 207 Cb 0.05 -3.50 0.34 0.00 -1.51 0.00 0.00 72.50 67.88 2ppv s THR 207 CO 0.87 0.04 1.83 0.77 -2.21 0.00 0.00 174.62 175.92 2ppv h SER 208 N 2.38 0.00 -3.32 8.08 4.64 -1.89 -3.47 113.55 119.96 2ppv h SER 208 Ca -0.49 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.31 2ppv h SER 208 Cb 1.24 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.38 2ppv h SER 208 CO 0.61 0.00 0.75 0.00 -0.87 0.00 0.00 176.83 177.32 2ppv s ALA 209 N -3.44 3.62 0.63 5.18 0.00 -1.26 -4.98 121.76 121.52 2ppv s ALA 209 Ca 0.04 1.29 -0.14 0.00 0.00 0.00 0.00 51.96 53.15 2ppv s ALA 209 Cb 0.08 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2ppv s ALA 209 CO 0.55 -0.71 1.06 -1.25 0.00 0.00 0.00 175.76 175.41 2ppv s PRO 210 N -0.16 3.14 -0.10 0.00 0.04 -1.26 -4.82 135.00 131.83 2ppv s PRO 210 Ca 0.60 1.15 0.04 0.00 0.04 0.00 0.00 61.00 62.83 2ppv s PRO 210 Cb -0.41 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.12 2ppv s PRO 210 CO 0.41 -0.95 -0.24 0.15 0.04 0.00 0.00 177.00 176.41 2ppv s LYS 211 N -4.36 3.03 -0.09 4.56 3.01 -1.26 -1.11 119.74 123.52 2ppv s LYS 211 Ca 0.62 -0.88 0.02 0.00 -1.01 0.00 0.00 55.97 54.73 2ppv s LYS 211 Cb -0.16 -2.30 -0.02 0.00 -1.01 0.00 0.00 37.83 34.35 2ppv s LYS 211 CO 0.43 0.19 -0.16 -1.17 0.51 0.00 0.00 175.35 175.15 2ppv s LEU 212 N 0.32 2.59 -0.18 3.17 2.96 0.31 -1.22 118.68 126.63 2ppv s LEU 212 Ca -0.18 -0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 53.34 2ppv s LEU 212 Cb -0.18 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 2ppv s LEU 212 CO 0.09 0.24 0.04 -0.47 -1.32 0.00 0.00 176.35 174.93 2ppv s TYR 213 N -0.12 3.21 -0.36 5.38 5.04 -0.50 -0.30 117.35 129.71 2ppv s TYR 213 Ca -0.02 0.01 -0.13 0.00 -2.44 0.00 0.00 57.07 54.49 2ppv s TYR 213 Cb -0.14 -2.05 0.00 0.00 0.35 0.00 0.00 41.96 40.12 2ppv s TYR 213 CO 0.04 0.13 0.24 0.08 -1.34 0.00 0.00 175.55 174.70 2ppv s VAL 214 N 0.34 5.10 0.49 3.14 1.01 -0.07 -1.64 120.40 128.77 2ppv s VAL 214 Ca 0.02 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.32 2ppv s VAL 214 Cb -0.13 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 2ppv s VAL 214 CO 0.01 -0.12 1.14 -0.55 0.00 0.00 0.00 175.10 175.58 2ppv s SER 215 N 1.67 6.01 0.49 3.32 0.15 -0.65 -4.01 113.70 120.69 2ppv s SER 215 Ca 0.05 2.23 -0.21 0.00 0.70 0.00 0.00 55.95 58.72 2ppv s SER 215 Cb -0.18 -2.59 -0.07 0.00 -1.71 0.00 0.00 66.02 61.47 2ppv s SER 215 CO 0.09 -1.02 1.14 0.20 1.20 0.00 0.00 173.24 174.85 2ppv s ASN 216 N -1.55 6.03 0.00 5.45 0.01 -1.26 -4.87 114.94 118.75 2ppv s ASN 216 Ca 0.67 2.22 0.14 0.00 -0.71 0.00 0.00 52.86 55.18 2ppv s ASN 216 Cb -0.26 -2.59 0.61 0.00 0.41 0.00 0.00 41.25 39.42 2ppv s ASN 216 CO 0.31 -1.01 1.44 0.52 -1.51 0.00 0.00 177.10 176.85 2ppv n VAL 217 N -0.82 0.98 -4.02 1.60 0.31 -1.26 -4.57 118.33 110.55 2ppv n VAL 217 Ca 0.09 0.24 -0.26 0.00 -0.01 0.00 0.00 64.34 64.40 2ppv n VAL 217 Cb 0.50 -1.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.38 2ppv n VAL 217 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2ppv s THR 219 N -2.93 4.90 -0.20 2.52 -4.23 0.66 -1.16 115.64 115.19 2ppv s THR 219 Ca 0.08 -0.90 -0.02 0.00 -1.18 0.00 0.00 61.69 59.67 2ppv s THR 219 Cb 0.09 -3.52 -0.00 0.00 1.34 0.00 0.00 72.50 70.41 2ppv s THR 219 CO 0.25 -0.11 -0.10 -1.58 -0.54 0.00 0.00 174.62 172.54 2ppv s GLN 220 N -3.20 3.27 0.09 3.99 0.74 -1.26 -4.53 119.66 118.76 2ppv s GLN 220 Ca 0.33 -0.69 -0.31 0.00 0.05 0.00 0.00 55.36 54.74 2ppv s GLN 220 Cb -0.10 -2.85 -0.09 0.00 1.10 0.00 0.00 33.01 31.06 2ppv s GLN 220 CO 0.26 -0.16 1.81 -1.25 -0.55 0.00 0.00 175.29 175.39 2ppv s PRO 221 N 1.32 4.15 0.00 1.67 0.04 -1.26 -1.21 135.00 139.72 2ppv s PRO 221 Ca 0.04 2.52 0.00 0.00 0.04 0.00 0.00 61.00 63.60 2ppv s PRO 221 Cb -0.14 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.68 2ppv s PRO 221 CO -0.05 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 176.56 2ppv n GLY 222 N 4.23 0.99 1.11 0.56 0.00 -1.26 -4.84 105.19 105.98 2ppv n GLY 222 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2ppv n GLY 222 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ppv n GLU 223 N -2.00 0.00 -1.17 1.61 1.02 -0.50 -4.44 120.64 115.16 2ppv n GLU 223 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 2ppv n GLU 223 Cb 0.00 -0.42 0.07 0.00 -0.02 0.00 0.00 31.44 31.07 2ppv n GLU 223 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2ppv n THR 224 N -2.73 0.60 -1.60 2.62 -2.24 -0.35 -4.68 114.28 105.91 2ppv n THR 224 Ca 0.00 -1.52 -0.51 0.00 -2.27 0.00 0.00 64.05 59.75 2ppv n THR 224 Cb 0.34 0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 69.14 2ppv n THR 224 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2ppv n ASP 225 N 0.01 1.74 -0.67 3.42 8.00 -1.23 -1.35 116.55 126.46 2ppv n ASP 225 Ca 0.09 1.12 -0.09 0.00 0.71 0.00 0.00 54.79 56.62 2ppv n ASP 225 Cb 0.99 -1.22 -0.04 0.00 -0.02 0.00 0.00 41.12 40.84 2ppv n ASP 225 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2ppv n ASN 226 N 2.51 -5.75 -4.69 -2.24 4.13 -1.26 -4.98 115.26 102.97 2ppv n ASN 226 Ca 0.18 0.22 -0.42 0.00 1.68 0.00 0.00 54.58 56.23 2ppv n ASN 226 Cb 0.21 -4.02 -0.03 0.00 -1.54 0.00 0.00 39.78 34.40 2ppv n ASN 226 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2ppv s TYR 227 N -1.76 3.53 0.93 3.10 1.51 -0.46 -5.05 117.35 119.15 2ppv s TYR 227 Ca 0.00 1.58 -0.15 0.00 -1.01 0.00 0.00 57.07 57.50 2ppv s TYR 227 Cb 0.00 -3.20 0.18 0.00 -0.11 0.00 0.00 41.96 38.84 2ppv s TYR 227 CO 0.00 -0.29 1.29 0.16 -1.11 0.00 0.00 175.55 175.60 2ppv s ASP 228 N 1.10 3.32 0.23 2.29 1.47 -1.26 -4.30 116.67 119.51 2ppv s ASP 228 Ca 0.50 0.27 -0.06 0.00 1.18 0.00 0.00 52.55 54.44 2ppv s ASP 228 Cb -0.20 -0.37 0.32 0.00 -0.34 0.00 0.00 42.92 42.33 2ppv s ASP 228 CO 0.22 -2.60 1.82 0.58 0.68 0.00 0.00 175.17 175.86 2ppv h VAL 229 N -1.52 0.97 -0.24 2.11 2.07 -1.18 -2.48 116.25 115.97 2ppv h VAL 229 Ca -0.44 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 2ppv h VAL 229 Cb 1.24 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2ppv h VAL 229 CO 0.40 0.15 -0.04 0.50 0.02 0.00 0.00 177.57 178.60 2ppv h LYS 230 N 0.80 0.37 -0.21 1.57 1.63 -1.83 -1.94 116.57 116.95 2ppv h LYS 230 Ca 0.35 -0.07 -0.13 0.00 -0.85 0.00 0.00 60.65 59.95 2ppv h LYS 230 Cb 0.24 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 2ppv h LYS 230 CO -0.20 0.43 -0.42 0.93 -3.45 0.00 0.00 179.45 176.74 2ppv h GLU 231 N 0.35 0.50 -0.37 1.90 5.08 -1.82 0.19 114.58 120.42 2ppv h GLU 231 Ca 0.08 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 2ppv h GLU 231 Cb 0.31 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2ppv h GLU 231 CO 0.01 0.83 0.18 0.45 -1.00 0.00 0.00 179.01 179.48 2ppv h HIS 232 N 0.41 0.54 -0.56 4.33 3.86 -1.16 -1.68 115.15 120.89 2ppv h HIS 232 Ca 0.03 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.16 2ppv h HIS 232 Cb 0.91 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 2ppv h HIS 232 CO 0.03 0.46 0.13 0.82 0.86 0.00 0.00 177.93 180.23 2ppv h ILE 233 N 0.46 1.25 -0.64 2.45 2.04 -1.14 -2.48 117.51 119.44 2ppv h ILE 233 Ca 0.13 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 2ppv h ILE 233 Cb 0.12 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2ppv h ILE 233 CO -0.02 0.33 0.32 0.44 0.00 0.00 0.00 178.15 179.23 2ppv h ASP 234 N 0.81 0.81 -0.85 1.72 3.32 -0.44 0.42 116.42 122.20 2ppv h ASP 234 Ca 0.18 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.16 2ppv h ASP 234 Cb 0.35 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 2ppv h ASP 234 CO 0.00 0.68 0.56 0.00 -1.72 0.00 0.00 179.24 178.76 2ppv h ALA 235 N 1.45 1.08 -0.23 3.45 0.00 -0.98 0.59 119.26 124.62 2ppv h ALA 235 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2ppv h ALA 235 Cb 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2ppv h ALA 235 CO -0.03 0.48 0.11 -0.07 0.00 0.00 0.00 179.25 179.74 2ppv h LEU 236 N 1.15 0.30 -0.83 0.00 3.38 -0.85 -2.73 115.31 115.73 2ppv h LEU 236 Ca 0.31 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.19 2ppv h LEU 236 Cb -0.13 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 2ppv h LEU 236 CO -0.07 0.34 0.54 0.74 0.09 0.00 0.00 178.44 180.07 2ppv h THR 237 N 0.25 1.16 -0.27 0.22 2.02 -0.62 -1.97 112.91 113.70 2ppv h THR 237 Ca 0.08 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 66.93 2ppv h THR 237 Cb 0.11 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 2ppv h THR 237 CO -0.01 0.19 0.06 -0.09 0.37 0.00 0.00 175.52 176.05 2ppv h ARG 238 N 1.07 0.16 -0.43 6.66 9.65 -0.82 0.25 114.38 130.92 2ppv h ARG 238 Ca 0.32 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.15 2ppv h ARG 238 Cb -0.04 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 2ppv h ARG 238 CO -0.10 0.11 0.13 0.37 2.80 0.00 0.00 179.97 183.28 2ppv h GLN 239 N 0.17 0.68 0.02 0.20 5.75 -1.15 -3.25 115.11 117.52 2ppv h GLN 239 Ca 0.12 -0.15 -0.25 0.00 -0.15 0.00 0.00 58.65 58.22 2ppv h GLN 239 Cb 0.12 -0.10 0.01 0.00 1.07 0.00 0.00 27.48 28.58 2ppv h GLN 239 CO -0.15 0.67 -1.02 0.28 -2.65 0.00 0.00 178.83 175.96 2ppv h VAL 240 N 0.56 1.35 0.00 2.39 2.07 -1.24 -3.48 116.25 117.90 2ppv h VAL 240 Ca 0.14 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.24 2ppv h VAL 240 Cb 0.28 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 2ppv h VAL 240 CO -0.00 0.73 0.00 0.61 0.02 0.00 0.00 177.57 178.93 2ppv n GLY 241 N 1.06 0.94 3.07 2.17 0.00 0.86 -4.85 105.19 108.45 2ppv n GLY 241 Ca -0.09 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 2ppv n GLY 241 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ppv s GLU 242 N 0.00 0.56 0.32 1.61 2.02 -1.23 -4.92 118.70 117.06 2ppv s GLU 242 Ca 0.00 -1.03 -0.29 0.00 0.02 0.00 0.00 54.97 53.68 2ppv s GLU 242 Cb 0.00 0.04 -0.12 0.00 0.10 0.00 0.00 34.13 34.15 2ppv s GLU 242 CO 0.00 -0.06 1.33 -2.30 0.02 0.00 0.00 175.26 174.25 2ppv n PRO 243 N 0.64 2.15 0.00 0.39 -0.02 -1.26 -4.74 135.00 132.16 2ppv n PRO 243 Ca -0.17 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2ppv n PRO 243 Cb 0.59 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2ppv n PRO 243 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2ppv n PHE 244 N 0.66 0.00 -2.59 6.00 -1.74 -1.26 -5.09 117.46 113.44 2ppv n PHE 244 Ca 0.06 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.53 2ppv n PHE 244 Cb 0.35 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.33 2ppv n PHE 244 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 2ppv s ILE 245 N 0.00 4.55 -0.20 1.97 -1.09 -1.26 -4.50 121.20 120.67 2ppv s ILE 245 Ca 0.00 1.83 0.14 0.00 -2.23 0.00 0.00 60.65 60.40 2ppv s ILE 245 Cb 0.00 -4.18 -0.24 0.00 -1.58 0.00 0.00 42.46 36.47 2ppv s ILE 245 CO 0.00 0.09 0.06 0.47 -1.23 0.00 0.00 174.94 174.33 2ppv n ASP 246 N 4.35 0.44 -4.05 3.58 8.00 -0.36 -4.79 116.55 123.73 2ppv n ASP 246 Ca 0.08 0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.45 2ppv n ASP 246 Cb 0.49 0.65 -0.12 0.00 -0.02 0.00 0.00 41.12 42.12 2ppv n ASP 246 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2ppv s PHE 247 N -2.50 0.65 -0.03 1.24 0.08 -1.02 -1.56 117.98 114.84 2ppv s PHE 247 Ca -0.14 -0.44 0.01 0.00 0.12 0.00 0.00 56.93 56.48 2ppv s PHE 247 Cb 0.07 -0.39 0.02 0.00 -0.57 0.00 0.00 43.02 42.15 2ppv s PHE 247 CO 0.79 -0.07 -0.01 0.54 -0.10 0.00 0.00 175.22 176.37 2ppv s VAL 248 N -1.18 0.21 -0.22 -0.44 0.11 -0.14 -1.40 120.40 117.34 2ppv s VAL 248 Ca -0.08 0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 58.88 2ppv s VAL 248 Cb -0.09 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 2ppv s VAL 248 CO 0.00 0.14 0.27 -0.63 -3.33 0.00 0.00 175.10 171.56 2ppv s ILE 249 N 0.87 5.29 0.25 7.04 1.01 -0.65 -0.23 121.20 134.77 2ppv s ILE 249 Ca -0.09 0.43 -0.22 0.00 0.00 0.00 0.00 60.65 60.78 2ppv s ILE 249 Cb -0.12 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.77 2ppv s ILE 249 CO -0.01 0.31 0.71 0.00 0.00 0.00 0.00 174.94 175.94 2ppv s SER 251 N -2.89 2.67 -0.24 0.00 0.15 -1.26 -4.26 113.70 107.88 2ppv s SER 251 Ca 0.09 -0.45 0.14 0.00 0.70 0.00 0.00 55.95 56.43 2ppv s SER 251 Cb -0.05 -0.88 0.68 0.00 -1.71 0.00 0.00 66.02 64.07 2ppv s SER 251 CO 0.03 0.18 1.62 -1.54 1.20 0.00 0.00 173.24 174.74 2ppv n SER 252 N 3.20 4.70 -4.76 5.45 3.41 -1.26 -4.82 113.62 119.54 2ppv n SER 252 Ca -0.18 -3.07 -0.37 0.00 -0.26 0.00 0.00 58.87 54.99 2ppv n SER 252 Cb 0.52 -0.64 0.02 0.00 -0.26 0.00 0.00 64.21 63.85 2ppv n SER 252 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2ppv s GLU 253 N -2.87 3.26 0.21 4.33 -1.05 -1.26 -5.02 118.70 116.30 2ppv s GLU 253 Ca 0.50 1.91 -0.10 0.00 -0.15 0.00 0.00 54.97 57.13 2ppv s GLU 253 Cb 0.39 -2.16 -0.07 0.00 -0.44 0.00 0.00 34.13 31.85 2ppv s GLU 253 CO 0.12 -1.00 0.53 -1.54 0.95 0.00 0.00 175.26 174.32 2ppv s SER 254 N -1.36 6.65 0.24 0.83 1.04 -1.26 -5.10 113.70 114.74 2ppv s SER 254 Ca 0.72 0.92 0.07 0.00 0.48 0.00 0.00 55.95 58.13 2ppv s SER 254 Cb -0.32 -2.22 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 2ppv s SER 254 CO 0.37 -0.03 0.16 -0.31 0.98 0.00 0.00 173.24 174.41 2ppv s TYR 255 N -1.74 3.06 0.95 5.02 1.51 -1.26 -5.11 117.35 119.78 2ppv s TYR 255 Ca 0.45 -0.11 -0.11 0.00 -1.01 0.00 0.00 57.07 56.29 2ppv s TYR 255 Cb -0.12 -1.39 0.17 0.00 -0.11 0.00 0.00 41.96 40.50 2ppv s TYR 255 CO 0.21 0.53 1.12 -1.54 -1.11 0.00 0.00 175.55 174.76 2ppv s SER 256 N -3.68 2.67 0.34 2.29 1.04 -1.26 -4.78 113.70 110.32 2ppv s SER 256 Ca 0.32 1.99 0.02 0.00 0.48 0.00 0.00 55.95 58.76 2ppv s SER 256 Cb -0.08 -2.49 0.62 0.00 0.10 0.00 0.00 66.02 64.17 2ppv s SER 256 CO 0.24 -3.22 2.00 0.07 0.98 0.00 0.00 173.24 173.30 2ppv h LYS 257 N -1.95 0.86 -0.41 4.02 -0.00 -1.99 -2.05 116.57 115.05 2ppv h LYS 257 Ca -0.47 -0.05 -0.14 0.00 -0.00 0.00 0.00 60.65 59.99 2ppv h LYS 257 Cb 1.28 -0.19 -0.01 0.00 -0.00 0.00 0.00 32.23 33.30 2ppv h LYS 257 CO 0.45 0.57 -0.29 -0.44 -0.00 0.00 0.00 179.45 179.73 2ppv h ASP 258 N 0.89 0.92 0.19 7.07 3.32 -1.98 -0.26 116.42 126.57 2ppv h ASP 258 Ca 0.25 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2ppv h ASP 258 Cb -0.06 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.24 2ppv h ASP 258 CO -0.06 1.15 -0.09 0.58 -1.72 0.00 0.00 179.24 179.09 2ppv h VAL 259 N 0.75 0.89 -0.41 -1.35 2.07 -1.70 -1.32 116.25 115.19 2ppv h VAL 259 Ca 0.08 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.21 2ppv h VAL 259 Cb 0.86 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 2ppv h VAL 259 CO 0.08 0.10 0.07 -0.07 0.02 0.00 0.00 177.57 177.77 2ppv h LEU 260 N -0.49 -0.01 -0.42 2.57 3.38 -1.33 -1.83 115.31 117.19 2ppv h LEU 260 Ca -0.03 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.10 2ppv h LEU 260 Cb 0.37 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 2ppv h LEU 260 CO 0.04 0.03 -0.02 1.56 0.09 0.00 0.00 178.44 180.14 2ppv h GLN 261 N 0.20 0.08 -0.91 1.13 4.20 -1.03 0.21 115.11 118.99 2ppv h GLN 261 Ca 0.20 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.92 2ppv h GLN 261 Cb 0.25 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 2ppv h GLN 261 CO -0.27 0.05 0.60 -0.09 -0.67 0.00 0.00 178.83 178.46 2ppv h ARG 262 N 0.08 1.17 0.04 1.46 2.43 -0.45 -2.09 114.38 117.03 2ppv h ARG 262 Ca 0.21 -0.07 -0.26 0.00 -0.81 0.00 0.00 59.98 59.05 2ppv h ARG 262 Cb 0.31 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 2ppv h ARG 262 CO -0.37 0.78 -1.29 1.88 -1.51 0.00 0.00 179.97 179.46 2ppv h TYR 263 N 1.21 0.16 -0.34 2.20 -1.99 -0.93 -3.16 116.97 114.12 2ppv h TYR 263 Ca 0.34 -0.12 0.03 0.00 2.00 0.00 0.00 58.73 60.99 2ppv h TYR 263 Cb -0.09 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 38.60 2ppv h TYR 263 CO -0.00 1.12 0.15 0.93 -0.00 0.00 0.00 178.16 180.36 2ppv h GLU 264 N 0.02 0.30 -0.79 4.88 3.07 -0.36 0.91 114.58 122.61 2ppv h GLU 264 Ca -0.13 -0.02 0.19 0.00 -0.50 0.00 0.00 59.36 58.89 2ppv h GLU 264 Cb 1.90 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 29.69 2ppv h GLU 264 CO 0.14 0.20 0.54 0.93 -1.40 0.00 0.00 179.01 179.42 2ppv h GLU 265 N 0.31 0.28 -0.64 2.33 3.07 -1.41 0.24 114.58 118.76 2ppv h GLU 265 Ca 0.15 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2ppv h GLU 265 Cb 0.08 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 2ppv h GLU 265 CO -0.12 0.18 0.00 0.36 -1.40 0.00 0.00 179.01 178.03 2ppv n LYS 266 N -4.44 3.54 -3.38 2.33 2.85 -0.78 -4.96 118.16 113.31 2ppv n LYS 266 Ca 0.16 -2.48 -0.16 0.00 -1.05 0.00 0.00 58.31 54.77 2ppv n LYS 266 Cb 0.67 -1.88 0.09 0.00 -0.65 0.00 0.00 35.03 33.26 2ppv n LYS 266 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2ppv n ASN 267 N 0.85 -2.05 -3.76 -5.58 3.02 0.85 -4.74 115.26 103.85 2ppv n ASN 267 Ca 0.22 -0.60 -0.13 0.00 -0.03 0.00 0.00 54.58 54.05 2ppv n ASN 267 Cb 0.84 -4.98 -0.12 0.00 -0.61 0.00 0.00 39.78 34.91 2ppv n ASN 267 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2ppv s SER 268 N -4.31 -0.27 0.20 6.41 0.15 0.22 -4.46 113.70 111.63 2ppv s SER 268 Ca 0.00 0.53 0.04 0.00 0.70 0.00 0.00 55.95 57.21 2ppv s SER 268 Cb -0.00 0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 64.75 2ppv s SER 268 CO 0.71 -0.12 -0.03 -1.59 1.20 0.00 0.00 173.24 173.41 2ppv s LYS 269 N 0.53 1.23 0.51 5.44 0.00 -1.26 -2.65 119.74 123.54 2ppv s LYS 269 Ca -0.03 -1.60 -0.23 0.00 0.00 0.00 0.00 55.97 54.11 2ppv s LYS 269 Cb -0.05 -0.57 -0.07 0.00 0.00 0.00 0.00 37.83 37.15 2ppv s LYS 269 CO -0.03 -0.06 1.31 -2.30 0.00 0.00 0.00 175.35 174.28 2ppv n PRO 270 N -0.34 1.76 -2.49 1.78 -0.02 -1.26 -0.25 135.00 134.19 2ppv n PRO 270 Ca -0.07 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.63 2ppv n PRO 270 Cb 0.63 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 2ppv n PRO 270 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ppv s VAL 271 N -1.27 4.38 0.28 -1.45 1.01 -0.31 -4.67 120.40 118.38 2ppv s VAL 271 Ca 0.68 1.66 -0.29 0.00 0.00 0.00 0.00 61.98 64.03 2ppv s VAL 271 Cb -0.44 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 31.74 2ppv s VAL 271 CO 0.52 -0.18 1.11 0.00 0.00 0.00 0.00 175.10 176.55 2ppv s ALA 272 N 3.48 3.41 -0.18 5.51 0.00 -1.26 -4.77 121.76 127.95 2ppv s ALA 272 Ca 0.52 0.91 -0.17 0.00 0.00 0.00 0.00 51.96 53.22 2ppv s ALA 272 Cb -0.19 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.46 2ppv s ALA 272 CO 0.13 -0.18 0.10 0.28 0.00 0.00 0.00 175.76 176.08 2ppv h VAL 273 N 3.09 0.61 -5.91 0.00 2.07 -1.95 0.20 116.25 114.37 2ppv h VAL 273 Ca -0.47 -1.75 -0.34 0.00 0.82 0.00 0.00 66.70 64.97 2ppv h VAL 273 Cb 1.21 1.44 0.12 0.00 -1.52 0.00 0.00 31.29 32.54 2ppv h VAL 273 CO 0.67 0.21 -0.85 1.41 0.02 0.00 0.00 177.57 179.02 2ppv n HIS 274 N -4.51 -2.19 0.30 1.57 8.25 -1.26 -4.54 115.22 112.84 2ppv n HIS 274 Ca -0.22 0.65 0.15 0.00 -0.26 0.00 0.00 57.72 58.05 2ppv n HIS 274 Cb 0.51 -3.70 0.92 0.00 1.12 0.00 0.00 29.99 28.84 2ppv n HIS 274 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2ppv h LYS 275 N -1.39 0.00 -0.06 -0.41 1.57 -2.00 -2.11 116.57 112.17 2ppv h LYS 275 Ca -0.60 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.06 2ppv h LYS 275 Cb 1.32 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.64 2ppv h LYS 275 CO 0.45 0.01 -0.43 1.05 -0.57 0.00 0.00 179.45 179.96 2ppv h GLU 276 N 0.00 0.40 -0.97 3.15 9.09 -1.99 -2.24 114.58 122.02 2ppv h GLU 276 Ca -0.00 -0.35 0.13 0.00 0.05 0.00 0.00 59.36 59.19 2ppv h GLU 276 Cb 0.04 0.08 -0.08 0.00 -1.65 0.00 0.00 28.75 27.13 2ppv h GLU 276 CO 0.00 1.00 0.61 -0.56 0.05 0.00 0.00 179.01 180.11 2ppv h GLN 277 N -0.09 0.86 -0.29 1.06 -0.00 -1.74 -1.22 115.11 113.69 2ppv h GLN 277 Ca -0.04 -0.05 -0.12 0.00 -0.00 0.00 0.00 58.65 58.44 2ppv h GLN 277 Cb 1.10 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.48 28.38 2ppv h GLN 277 CO 0.09 0.57 -0.29 -0.07 -0.00 0.00 0.00 178.83 179.13 2ppv h LEU 278 N 0.88 0.76 -0.95 0.06 3.38 -1.47 -2.61 115.31 115.37 2ppv h LEU 278 Ca 0.49 -0.47 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2ppv h LEU 278 Cb 0.59 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2ppv h LEU 278 CO -0.25 1.07 -0.32 0.11 0.09 0.00 0.00 178.44 179.14 2ppv h LYS 279 N 0.46 0.37 0.00 1.13 1.57 -1.11 -0.72 116.57 118.28 2ppv h LYS 279 Ca 0.05 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2ppv h LYS 279 Cb 0.86 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 2ppv h LYS 279 CO 0.07 0.65 -0.18 -0.44 -0.57 0.00 0.00 179.45 178.99 2ppv h ASP 280 N 0.32 0.00 -0.10 0.86 3.32 -1.18 -2.07 116.42 117.57 2ppv h ASP 280 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2ppv h ASP 280 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2ppv h ASP 280 CO 0.06 0.18 0.00 -1.20 -1.72 0.00 0.00 179.24 176.55 2ppv n SER 281 N -4.23 1.15 0.00 6.45 7.64 -0.79 -4.91 113.62 118.93 2ppv n SER 281 Ca -0.02 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.27 2ppv n SER 281 Cb 0.24 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2ppv n SER 281 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ppv n GLY 282 N 1.04 0.40 3.60 0.23 0.00 -0.78 -5.03 105.19 104.65 2ppv n GLY 282 Ca 0.16 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 2ppv n GLY 282 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ppv s ILE 283 N -2.00 4.84 -0.12 -0.61 1.01 -0.34 -4.89 121.20 119.09 2ppv s ILE 283 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.41 2ppv s ILE 283 Cb 0.00 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 2ppv s ILE 283 CO 0.00 0.40 0.71 -0.60 0.00 0.00 0.00 174.94 175.45 2ppv s ARG 284 N 0.84 4.35 -0.16 2.79 3.52 -0.60 -3.63 118.95 126.05 2ppv s ARG 284 Ca 0.05 0.84 -0.15 0.00 -0.13 0.00 0.00 55.73 56.34 2ppv s ARG 284 Cb -0.13 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 2ppv s ARG 284 CO 0.02 -0.10 0.33 0.08 -0.81 0.00 0.00 175.30 174.83 2ppv s VAL 285 N 1.38 5.28 -0.08 7.11 1.01 -1.26 -0.96 120.40 132.88 2ppv s VAL 285 Ca 0.35 0.62 0.05 0.00 0.00 0.00 0.00 61.98 63.00 2ppv s VAL 285 Cb -0.17 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 2ppv s VAL 285 CO 0.15 0.36 -0.24 -0.76 0.00 0.00 0.00 175.10 174.60 2ppv s LEU 286 N 0.64 2.08 0.29 3.92 1.43 0.68 -4.95 118.68 122.76 2ppv s LEU 286 Ca 0.18 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 2ppv s LEU 286 Cb -0.14 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 2ppv s LEU 286 CO 0.05 0.20 0.40 0.28 0.23 0.00 0.00 176.35 177.51 2ppv s THR 287 N 0.09 0.00 0.06 5.49 -1.32 -1.26 -1.95 115.64 116.74 2ppv s THR 287 Ca -0.11 -1.64 -0.13 0.00 -1.21 0.00 0.00 61.69 58.59 2ppv s THR 287 Cb -0.16 -2.48 0.02 0.00 -1.51 0.00 0.00 72.50 68.37 2ppv s THR 287 CO 0.06 0.00 0.30 0.00 -2.21 0.00 0.00 174.62 172.77 2ppv s ALA 288 N -3.58 -0.66 0.34 11.08 0.00 -1.26 -5.06 121.76 122.63 2ppv s ALA 288 Ca 0.30 -0.07 0.23 0.00 0.00 0.00 0.00 51.96 52.43 2ppv s ALA 288 Cb 0.01 0.38 1.18 0.00 0.00 0.00 0.00 23.12 24.69 2ppv s ALA 288 CO 0.16 -0.45 1.97 0.66 0.00 0.00 0.00 175.76 178.10 2ppv h SER 289 N 3.07 0.00 -0.12 0.00 4.64 -2.00 -3.13 113.55 116.02 2ppv h SER 289 Ca -0.32 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.94 2ppv h SER 289 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 2ppv h SER 289 CO 0.47 0.20 -0.32 -0.46 -0.87 0.00 0.00 176.83 175.85 2ppv n ASN 290 N -3.69 2.05 0.22 4.97 0.23 -1.26 -4.70 115.26 113.09 2ppv n ASN 290 Ca -0.01 -3.78 0.05 0.00 -0.53 0.00 0.00 54.58 50.31 2ppv n ASN 290 Cb 0.31 -0.55 0.49 0.00 -2.08 0.00 0.00 39.78 37.95 2ppv n ASN 290 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2ppv h LEU 291 N 0.94 0.00 -8.70 -4.53 5.85 -1.90 -3.42 115.31 103.55 2ppv h LEU 291 Ca 0.07 0.00 -0.67 0.00 0.84 0.00 0.00 57.88 58.11 2ppv h LEU 291 Cb 1.22 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 41.98 2ppv h LEU 291 CO 0.13 0.21 -0.79 -0.69 -0.34 0.00 0.00 178.44 176.96 2ppv s VAL 292 N -4.53 2.89 0.09 1.05 1.01 -1.26 -0.74 120.40 118.90 2ppv s VAL 292 Ca -0.04 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2ppv s VAL 292 Cb 0.15 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2ppv s VAL 292 CO 0.69 0.56 0.07 -1.61 0.00 0.00 0.00 175.10 174.81 2ppv s GLU 293 N -0.12 2.83 -0.04 2.72 2.02 0.25 -4.78 118.70 121.58 2ppv s GLU 293 Ca -0.02 -0.73 -0.01 0.00 0.02 0.00 0.00 54.97 54.23 2ppv s GLU 293 Cb -0.14 -2.69 0.03 0.00 0.10 0.00 0.00 34.13 31.43 2ppv s GLU 293 CO 0.04 0.55 0.02 0.42 0.02 0.00 0.00 175.26 176.31 2ppv s ILE 294 N -1.41 0.16 0.63 -1.63 1.01 -1.26 -1.43 121.20 117.26 2ppv s ILE 294 Ca 0.29 0.19 -0.08 0.00 0.00 0.00 0.00 60.65 61.05 2ppv s ILE 294 Cb -0.12 -0.31 0.01 0.00 0.01 0.00 0.00 42.46 42.05 2ppv s ILE 294 CO 0.22 0.19 0.97 -0.94 0.00 0.00 0.00 174.94 175.37 2ppv s SER 295 N 1.59 5.56 0.58 3.58 1.04 0.43 -4.94 113.70 121.54 2ppv s SER 295 Ca -0.02 0.87 0.32 0.00 0.48 0.00 0.00 55.95 57.60 2ppv s SER 295 Cb -0.13 -1.80 1.79 0.00 0.10 0.00 0.00 66.02 65.98 2ppv s SER 295 CO -0.03 -1.15 2.21 0.78 0.98 0.00 0.00 173.24 176.03 2ppv h ASN 296 N -0.34 0.00 -0.32 7.02 -0.26 -2.01 -0.89 115.58 118.78 2ppv h ASN 296 Ca -0.45 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.29 2ppv h ASN 296 Cb 1.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 2ppv h ASN 296 CO 0.62 0.04 0.00 -0.62 -1.06 0.00 0.00 177.43 176.41 2ppv n GLU 297 N -3.62 1.84 -1.20 0.81 -0.58 -1.26 -4.94 120.64 111.68 2ppv n GLU 297 Ca -0.02 -1.29 -0.04 0.00 -0.42 0.00 0.00 57.16 55.38 2ppv n GLU 297 Cb 0.14 -1.32 -0.02 0.00 -0.57 0.00 0.00 31.44 29.67 2ppv n GLU 297 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2ppv n HIS 298 N 0.54 -0.02 -2.85 -0.32 8.25 -0.34 -5.02 115.22 115.46 2ppv n HIS 298 Ca 0.14 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.31 2ppv n HIS 298 Cb 0.32 -1.15 -0.02 0.00 1.12 0.00 0.00 29.99 30.26 2ppv n HIS 298 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2ppv s TYR 299 N -2.16 3.50 0.10 4.41 2.02 -1.26 -4.52 117.35 119.44 2ppv s TYR 299 Ca 0.00 0.90 0.08 0.00 -0.37 0.00 0.00 57.07 57.68 2ppv s TYR 299 Cb 0.00 -2.34 -0.03 0.00 -0.40 0.00 0.00 41.96 39.19 2ppv s TYR 299 CO 0.00 -0.13 -0.20 0.14 -1.57 0.00 0.00 175.55 173.79 2ppv s VAL 300 N -2.47 1.66 0.27 0.71 -7.23 -1.26 -0.43 120.40 111.65 2ppv s VAL 300 Ca 0.49 -1.52 -0.16 0.00 -1.81 0.00 0.00 61.98 58.97 2ppv s VAL 300 Cb -0.10 -1.51 0.01 0.00 0.56 0.00 0.00 36.38 35.33 2ppv s VAL 300 CO 0.36 -0.07 0.60 0.00 -0.31 0.00 0.00 175.10 175.67 2ppv s ARG 301 N -1.89 1.68 0.30 4.82 1.70 -0.51 -5.00 118.95 120.05 2ppv s ARG 301 Ca 0.06 -1.15 -0.29 0.00 -0.47 0.00 0.00 55.73 53.88 2ppv s ARG 301 Cb -0.10 0.54 -0.10 0.00 -0.57 0.00 0.00 34.95 34.72 2ppv s ARG 301 CO 0.04 -0.74 1.14 -1.01 -1.08 0.00 0.00 175.30 173.66 2ppv s HIS 302 N -3.91 3.43 -0.39 5.89 3.76 -1.26 -0.58 115.29 122.22 2ppv s HIS 302 Ca 0.17 1.63 -0.29 0.00 -0.15 0.00 0.00 55.06 56.43 2ppv s HIS 302 Cb -0.03 -3.37 0.01 0.00 1.11 0.00 0.00 32.58 30.30 2ppv s HIS 302 CO 0.08 -0.86 1.26 1.21 -0.85 0.00 0.00 174.74 175.58 2ppv s ASN 303 N -0.83 6.59 0.21 1.40 3.84 0.08 -4.71 114.94 121.52 2ppv s ASN 303 Ca 0.46 0.84 -0.06 0.00 0.21 0.00 0.00 52.86 54.31 2ppv s ASN 303 Cb -0.33 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 37.98 2ppv s ASN 303 CO 0.43 -1.22 1.67 0.74 -2.79 0.00 0.00 177.10 175.93 2ppv h THR 304 N 6.17 1.26 -0.55 -5.21 2.02 -1.94 -0.98 112.91 113.68 2ppv h THR 304 Ca -0.25 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 65.77 2ppv h THR 304 Cb 1.08 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 2ppv h THR 304 CO 1.08 0.41 0.29 0.11 0.37 0.00 0.00 175.52 177.78 2ppv h LYS 305 N 0.87 0.77 -0.14 6.66 1.57 -1.94 -0.01 116.57 124.35 2ppv h LYS 305 Ca 0.15 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 2ppv h LYS 305 Cb 0.57 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 2ppv h LYS 305 CO 0.03 0.61 -0.23 0.28 -0.57 0.00 0.00 179.45 179.57 2ppv h VAL 306 N 0.74 1.36 -0.30 0.50 2.07 -1.79 -1.89 116.25 116.94 2ppv h VAL 306 Ca 0.19 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 2ppv h VAL 306 Cb 0.07 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2ppv h VAL 306 CO -0.03 0.43 0.15 0.25 0.02 0.00 0.00 177.57 178.39 2ppv h LEU 307 N 0.02 0.40 -0.26 2.57 5.85 -1.10 -2.95 115.31 119.84 2ppv h LEU 307 Ca 0.01 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.65 2ppv h LEU 307 Cb 0.81 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 2ppv h LEU 307 CO 0.05 0.41 0.02 0.28 -0.34 0.00 0.00 178.44 178.86 2ppv h SER 308 N 0.36 -0.06 0.00 1.25 0.02 -1.01 -1.61 113.55 112.50 2ppv h SER 308 Ca 0.10 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2ppv h SER 308 Cb 0.12 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2ppv h SER 308 CO -0.01 0.00 0.00 1.17 -1.14 0.00 0.00 176.83 176.85 2ppv n LYS 309 N -5.13 0.25 0.00 3.45 4.81 -0.71 -1.42 118.16 119.41 2ppv n LYS 309 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2ppv n LYS 309 Cb 0.13 -1.38 0.00 0.00 0.02 0.00 0.00 35.03 33.80 2ppv n LYS 309 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2ppv n ILE 311 N 1.08 0.00 -0.17 3.15 5.41 -0.61 -0.20 119.36 128.02 2ppv n ILE 311 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.69 2ppv n ILE 311 Cb 0.12 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.08 2ppv n ILE 311 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 2ppv h TYR 312 N 0.00 0.61 -0.46 1.39 3.20 -1.51 -1.68 116.97 118.52 2ppv h TYR 312 Ca 0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 2ppv h TYR 312 Cb 0.00 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 2ppv h TYR 312 CO 0.00 0.37 0.06 0.93 -1.64 0.00 0.00 178.16 177.87 2ppv h GLU 313 N 0.65 0.72 -0.21 1.82 4.39 -0.84 -0.81 114.58 120.31 2ppv h GLU 313 Ca 0.19 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2ppv h GLU 313 Cb -0.03 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 2ppv h GLU 313 CO -0.06 0.69 0.10 1.25 -1.16 0.00 0.00 179.01 179.83 2ppv h LEU 314 N 0.69 0.27 -0.51 1.33 5.85 -1.73 -0.95 115.31 120.25 2ppv h LEU 314 Ca 0.15 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2ppv h LEU 314 Cb 0.34 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 2ppv h LEU 314 CO 0.01 0.32 0.22 0.00 -0.34 0.00 0.00 178.44 178.65 2ppv h ALA 315 N 0.96 0.64 -0.42 1.25 0.00 -1.07 0.20 119.26 120.81 2ppv h ALA 315 Ca 0.07 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2ppv h ALA 315 Cb 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2ppv h ALA 315 CO -0.01 -0.16 0.12 1.25 0.00 0.00 0.00 179.25 180.45 2ppv h LEU 316 N 0.43 0.08 -0.65 0.00 5.85 -1.05 -1.28 115.31 118.68 2ppv h LEU 316 Ca 0.24 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 2ppv h LEU 316 Cb 0.21 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2ppv h LEU 316 CO -0.20 0.08 0.18 -0.08 -0.34 0.00 0.00 178.44 178.08 2ppv h GLU 317 N 0.26 1.02 0.00 1.25 4.81 -0.68 -2.04 114.58 119.21 2ppv h GLU 317 Ca 0.20 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 2ppv h GLU 317 Cb 0.22 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2ppv h GLU 317 CO -0.24 0.91 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.60 2ppv h LEU 318 N 0.95 0.00 -2.05 1.64 3.38 -0.76 -2.57 115.31 115.90 2ppv h LEU 318 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2ppv h LEU 318 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2ppv h LEU 318 CO -0.00 0.28 0.00 0.35 0.09 0.00 0.00 178.44 179.16 2ppv n THR 319 N -3.83 0.59 -2.12 0.22 -2.24 -0.50 -5.00 114.28 101.41 2ppv n THR 319 Ca -0.01 -0.70 -0.27 0.00 -2.27 0.00 0.00 64.05 60.80 2ppv n THR 319 Cb 0.37 0.60 0.09 0.00 -2.10 0.00 0.00 70.33 69.28 2ppv n THR 319 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ppv s SER 320 N -1.27 4.53 0.67 3.42 1.04 -0.80 -5.05 113.70 116.25 2ppv s SER 320 Ca 0.38 0.48 -0.15 0.00 0.48 0.00 0.00 55.95 57.14 2ppv s SER 320 Cb 0.21 -1.01 0.01 0.00 0.10 0.00 0.00 66.02 65.33 2ppv s SER 320 CO 0.29 -1.81 1.12 0.42 0.98 0.00 0.00 173.24 174.24 2ppv s THR 321 N -3.39 3.11 0.46 2.02 -4.23 -1.26 -5.06 115.64 107.28 2ppv s THR 321 Ca 0.62 0.51 0.02 0.00 -1.18 0.00 0.00 61.69 61.67 2ppv s THR 321 Cb -0.10 -3.03 -0.01 0.00 1.34 0.00 0.00 72.50 70.70 2ppv s THR 321 CO 0.47 -0.32 0.09 2.30 -0.54 0.00 0.00 174.62 176.61 2ppv n ILE 322 N -2.51 0.00 -3.61 2.99 -5.35 -1.26 -5.12 119.36 104.49 2ppv n ILE 322 Ca 0.11 -2.45 -0.38 0.00 -0.27 0.00 0.00 62.75 59.76 2ppv n ILE 322 Cb 0.52 0.72 -0.11 0.00 -1.74 0.00 0.00 39.64 39.02 2ppv n ILE 322 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ppv s ARG 323 N -3.71 3.84 0.08 6.28 1.04 -1.26 -5.07 118.95 120.16 2ppv s ARG 323 Ca 0.12 -0.39 -0.09 0.00 -1.04 0.00 0.00 55.73 54.34 2ppv s ARG 323 Cb 0.01 -3.62 0.00 0.00 -2.04 0.00 0.00 34.95 29.30 2ppv s ARG 323 CO 0.09 -0.21 0.20 -0.59 -0.04 0.00 0.00 175.30 174.75 2ppv s PHE 324 N 1.73 0.12 -0.22 5.89 -0.12 -1.26 -5.14 117.98 118.98 2ppv s PHE 324 Ca 0.07 -0.52 -0.14 0.00 -0.05 0.00 0.00 56.93 56.29 2ppv s PHE 324 Cb -0.16 -0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.15 2ppv s PHE 324 CO 0.10 -0.54 0.33 -0.08 -0.05 0.00 0.00 175.22 174.98 2ppv s THR 325 N -3.70 5.24 -2.00 -4.49 -1.32 -1.26 -5.33 115.64 102.78 2ppv s THR 325 Ca 0.04 0.56 0.13 0.00 -1.21 0.00 0.00 61.69 61.20 2ppv s THR 325 Cb 0.04 -3.66 0.36 0.00 -1.51 0.00 0.00 72.50 67.73 2ppv s THR 325 CO -0.10 0.27 1.19 -0.81 -2.21 0.00 0.00 174.62 172.95