#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5i s LEU 2 N 0.00 4.23 -0.02 1.08 1.43 -1.26 -4.97 118.68 119.17 1h5i s LEU 2 Ca 0.00 2.19 -0.02 0.00 -1.03 0.00 0.00 54.13 55.27 1h5i s LEU 2 Cb 0.00 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.20 1h5i s LEU 2 CO 0.00 -0.49 0.05 0.28 0.23 0.00 0.00 176.35 176.42 1h5i s THR 3 N -1.48 -0.00 0.53 5.49 -1.32 -0.09 -4.71 115.64 114.06 1h5i s THR 3 Ca 0.55 0.00 0.38 0.00 -1.21 0.00 0.00 61.69 61.41 1h5i s THR 3 Cb -0.27 -0.08 0.40 0.00 -1.51 0.00 0.00 72.50 71.04 1h5i s THR 3 CO 0.34 0.00 2.25 -0.65 -2.21 0.00 0.00 174.62 174.35 1h5i h PRO 4 N 6.07 0.00 -0.51 7.08 0.11 -1.84 0.11 132.00 143.03 1h5i h PRO 4 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1h5i h PRO 4 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1h5i h PRO 4 CO 0.48 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.54 1h5i n THR 5 N -3.32 0.68 -0.35 -1.15 -2.24 -1.26 -4.61 114.28 102.03 1h5i n THR 5 Ca -0.02 -0.68 0.23 0.00 -2.27 0.00 0.00 64.05 61.31 1h5i n THR 5 Cb 0.13 0.35 0.48 0.00 -2.10 0.00 0.00 70.33 69.19 1h5i n THR 5 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1h5i h PHE 6 N 3.00 0.84 -0.37 4.78 3.57 -1.77 -1.45 116.94 125.56 1h5i h PHE 6 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1h5i h PHE 6 Cb 0.69 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1h5i h PHE 6 CO 0.34 -0.06 0.00 0.66 -2.23 0.00 0.00 178.31 177.02 1h5i n TYR 7 N -4.86 0.85 0.32 0.41 4.01 -1.26 -4.64 117.16 111.98 1h5i n TYR 7 Ca 0.30 -0.67 0.21 0.00 -0.16 0.00 0.00 57.90 57.58 1h5i n TYR 7 Cb 0.95 -0.19 1.11 0.00 -0.31 0.00 0.00 39.34 40.90 1h5i n TYR 7 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1h5i h ASP 8 N 2.31 0.00 0.00 7.72 3.32 -1.54 -0.12 116.42 128.11 1h5i h ASP 8 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1h5i h ASP 8 Cb 1.16 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 1h5i h ASP 8 CO 0.14 0.00 -1.80 0.59 -1.72 0.00 0.00 179.24 176.45 1h5i n ASN 9 N -3.04 2.22 0.14 6.45 3.02 -1.26 -4.30 115.26 118.49 1h5i n ASN 9 Ca -0.02 0.02 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 1h5i n ASN 9 Cb 0.11 -0.30 0.12 0.00 -0.61 0.00 0.00 39.78 39.10 1h5i n ASN 9 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1h5i h SER 10 N -0.20 0.00 0.00 6.41 4.64 -1.83 -3.41 113.55 119.17 1h5i h SER 10 Ca -0.33 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.78 1h5i h SER 10 Cb 1.42 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.37 1h5i h SER 10 CO -0.11 0.56 -0.40 0.00 -0.87 0.00 0.00 176.83 176.01 1h5i h PRO 12 N 3.48 0.00 -0.17 0.00 0.13 -1.56 -2.25 132.00 131.63 1h5i h PRO 12 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1h5i h PRO 12 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1h5i h PRO 12 CO 0.19 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.05 1h5i n ASN 13 N -3.69 1.89 -0.07 1.44 5.03 -1.26 -4.49 115.26 114.11 1h5i n ASN 13 Ca 0.01 -1.72 -0.07 0.00 0.87 0.00 0.00 54.58 53.66 1h5i n ASN 13 Cb 0.30 -0.10 -0.01 0.00 -1.02 0.00 0.00 39.78 38.94 1h5i n ASN 13 CO 0.00 0.00 0.00 1.62 -1.83 0.00 0.00 177.26 177.05 1h5i h VAL 14 N 2.57 0.61 -0.97 2.41 3.04 -1.76 -1.29 116.25 120.85 1h5i h VAL 14 Ca 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.73 1h5i h VAL 14 Cb 0.56 0.61 -0.06 0.00 -2.01 0.00 0.00 31.29 30.39 1h5i h VAL 14 CO 0.00 0.00 0.63 -1.28 -1.01 0.00 0.00 177.57 175.91 1h5i h SER 15 N -0.08 1.05 -0.26 3.17 0.87 -1.84 -1.04 113.55 115.41 1h5i h SER 15 Ca 0.14 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.58 1h5i h SER 15 Cb 0.29 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1h5i h SER 15 CO -0.33 0.70 -0.27 0.78 -0.53 0.00 0.00 176.83 177.19 1h5i h ASN 16 N 1.21 0.78 -0.55 6.23 2.35 -1.74 -0.88 115.58 122.98 1h5i h ASN 16 Ca 0.40 -0.30 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 1h5i h ASN 16 Cb 0.04 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1h5i h ASN 16 CO -0.14 1.00 -0.06 0.40 -1.65 0.00 0.00 177.43 176.99 1h5i h ILE 17 N 0.65 1.27 -0.19 2.81 2.04 -0.67 -0.25 117.51 123.16 1h5i h ILE 17 Ca 0.08 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 1h5i h ILE 17 Cb 0.79 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1h5i h ILE 17 CO 0.06 0.43 0.05 0.58 0.00 0.00 0.00 178.15 179.28 1h5i h VAL 18 N 0.89 1.20 -0.17 1.67 2.07 -1.07 -2.18 116.25 118.67 1h5i h VAL 18 Ca 0.15 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1h5i h VAL 18 Cb 0.62 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1h5i h VAL 18 CO 0.04 0.19 0.02 -0.09 0.02 0.00 0.00 177.57 177.75 1h5i h ARG 19 N 0.12 0.08 -0.91 1.57 2.43 -1.00 -2.25 114.38 114.42 1h5i h ARG 19 Ca 0.06 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.32 1h5i h ARG 19 Cb 0.25 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.71 1h5i h ARG 19 CO -0.00 0.05 0.55 -0.44 -1.51 0.00 0.00 179.97 178.62 1h5i h ASP 20 N 0.08 0.82 -0.38 -3.80 3.32 -0.95 -0.75 116.42 114.77 1h5i h ASP 20 Ca 0.08 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1h5i h ASP 20 Cb 0.08 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1h5i h ASP 20 CO -0.11 0.48 0.19 0.74 -1.72 0.00 0.00 179.24 178.82 1h5i h THR 21 N 0.93 1.16 -0.56 0.35 2.02 -0.94 -2.08 112.91 113.79 1h5i h THR 21 Ca 0.43 -0.45 -0.11 0.00 0.77 0.00 0.00 66.41 67.05 1h5i h THR 21 Cb 0.34 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1h5i h THR 21 CO -0.23 0.17 -0.07 0.40 0.37 0.00 0.00 175.52 176.16 1h5i h ILE 22 N 0.48 1.27 -0.32 3.11 2.04 -0.85 -1.78 117.51 121.46 1h5i h ILE 22 Ca 0.13 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 64.80 1h5i h ILE 22 Cb 0.10 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1h5i h ILE 22 CO -0.02 0.43 0.16 0.58 0.00 0.00 0.00 178.15 179.30 1h5i h VAL 23 N 0.91 0.98 -0.27 1.67 2.07 -1.02 0.50 116.25 121.09 1h5i h VAL 23 Ca 0.15 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1h5i h VAL 23 Cb 0.63 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1h5i h VAL 23 CO 0.04 0.06 0.16 0.78 0.02 0.00 0.00 177.57 178.63 1h5i h ASN 24 N 0.33 0.33 -0.57 0.57 2.35 -1.24 -2.98 115.58 114.36 1h5i h ASN 24 Ca 0.13 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1h5i h ASN 24 Cb 0.05 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1h5i h ASN 24 CO -0.09 0.30 0.18 -0.08 -1.65 0.00 0.00 177.43 176.09 1h5i h GLU 25 N 0.33 0.93 -0.22 0.81 4.57 -1.00 -2.88 114.58 117.12 1h5i h GLU 25 Ca 0.10 -0.18 0.06 0.00 -1.18 0.00 0.00 59.36 58.15 1h5i h GLU 25 Cb 0.04 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1h5i h GLU 25 CO -0.02 0.81 0.20 -0.07 -1.18 0.00 0.00 179.01 178.75 1h5i h LEU 26 N 0.90 0.00 -0.60 1.64 3.38 -0.74 0.12 115.31 120.01 1h5i h LEU 26 Ca 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1h5i h LEU 26 Cb 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1h5i h LEU 26 CO -0.01 0.00 0.21 0.03 0.09 0.00 0.00 178.44 178.77 1h5i h ARG 27 N 0.00 0.92 0.00 1.13 3.08 -1.52 -3.00 114.38 114.98 1h5i h ARG 27 Ca 0.10 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 1h5i h ARG 27 Cb 0.50 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1h5i h ARG 27 CO -0.00 0.80 -1.53 -1.13 -1.07 0.00 0.00 179.97 177.04 1h5i n SER 28 N -4.43 0.50 -3.51 7.04 3.41 -0.77 -4.73 113.62 111.13 1h5i n SER 28 Ca 0.03 0.20 -0.29 0.00 -0.26 0.00 0.00 58.87 58.56 1h5i n SER 28 Cb 0.19 0.95 -0.13 0.00 -0.26 0.00 0.00 64.21 64.97 1h5i n SER 28 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1h5i s ASP 29 N -5.17 3.16 0.00 4.04 2.15 0.35 -4.99 116.67 116.20 1h5i s ASP 29 Ca -0.04 -2.11 0.09 0.00 0.43 0.00 0.00 52.55 50.92 1h5i s ASP 29 Cb 0.11 -0.48 0.48 0.00 -0.30 0.00 0.00 42.92 42.72 1h5i s ASP 29 CO 0.84 -0.32 1.15 -0.81 -0.17 0.00 0.00 175.17 175.86 1h5i n PRO 30 N 4.16 0.15 0.01 4.34 -0.04 -1.14 -2.25 135.00 140.23 1h5i n PRO 30 Ca 0.09 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.83 1h5i n PRO 30 Cb 0.37 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 1h5i n PRO 30 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1h5i n ARG 31 N -1.25 0.17 -0.11 0.54 0.63 -1.26 -4.55 116.66 110.84 1h5i n ARG 31 Ca 0.05 -0.03 0.11 0.00 -0.92 0.00 0.00 57.85 57.06 1h5i n ARG 31 Cb 0.07 -1.53 0.48 0.00 0.45 0.00 0.00 32.46 31.93 1h5i n ARG 31 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 1h5i h ILE 32 N 0.00 0.90 -0.26 5.15 6.09 -1.81 -1.64 117.51 125.94 1h5i h ILE 32 Ca 0.00 -0.16 -0.02 0.00 -1.37 0.00 0.00 64.86 63.31 1h5i h ILE 32 Cb 0.63 0.40 -0.01 0.00 0.47 0.00 0.00 36.82 38.31 1h5i h ILE 32 CO 0.00 0.08 0.09 0.00 -3.07 0.00 0.00 178.15 175.25 1h5i h ALA 33 N 1.68 0.34 -0.33 0.18 0.00 -1.83 -0.54 119.26 118.76 1h5i h ALA 33 Ca 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1h5i h ALA 33 Cb 0.53 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1h5i h ALA 33 CO -0.09 -0.03 0.17 0.00 0.00 0.00 0.00 179.25 179.30 1h5i h ALA 34 N 0.92 0.42 -0.82 0.00 0.00 -1.74 -2.21 119.26 115.84 1h5i h ALA 34 Ca 0.09 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1h5i h ALA 34 Cb 0.22 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1h5i h ALA 34 CO -0.00 -0.04 0.52 0.77 0.00 0.00 0.00 179.25 180.50 1h5i h SER 35 N 0.41 0.85 -0.51 0.00 0.02 -1.09 -2.16 113.55 111.07 1h5i h SER 35 Ca 0.12 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.94 1h5i h SER 35 Cb 0.08 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1h5i h SER 35 CO -0.02 0.57 -0.17 0.40 -1.14 0.00 0.00 176.83 176.47 1h5i h ILE 36 N 0.99 1.27 -0.78 3.27 2.04 -0.90 -1.88 117.51 121.52 1h5i h ILE 36 Ca 0.33 -1.34 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 1h5i h ILE 36 Cb 0.05 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1h5i h ILE 36 CO -0.13 0.47 0.45 0.25 0.00 0.00 0.00 178.15 179.19 1h5i h LEU 37 N 0.89 0.96 -1.08 1.44 5.85 -1.10 -2.16 115.31 120.11 1h5i h LEU 37 Ca 0.12 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1h5i h LEU 37 Cb 0.75 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1h5i h LEU 37 CO 0.06 0.77 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.77 1h5i h ARG 38 N 1.08 0.57 -0.83 1.25 2.43 -1.19 -2.28 114.38 115.41 1h5i h ARG 38 Ca 0.28 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1h5i h ARG 38 Cb 0.00 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 1h5i h ARG 38 CO -0.05 0.64 0.44 -0.07 -1.51 0.00 0.00 179.97 179.42 1h5i h LEU 39 N 0.53 1.05 -0.51 3.80 3.38 -0.71 -0.18 115.31 122.68 1h5i h LEU 39 Ca 0.10 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1h5i h LEU 39 Cb 0.45 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1h5i h LEU 39 CO 0.02 0.86 0.03 -0.74 0.09 0.00 0.00 178.44 178.71 1h5i h HIS 40 N 1.17 0.95 0.13 1.13 2.76 -1.06 -0.65 115.15 119.58 1h5i h HIS 40 Ca 0.29 -0.15 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1h5i h HIS 40 Cb 0.06 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.77 1h5i h HIS 40 CO 0.01 0.87 -0.06 0.35 -1.30 0.00 0.00 177.93 177.80 1h5i h PHE 41 N 0.75 -0.16 0.00 5.26 3.57 -0.94 -0.63 116.94 124.78 1h5i h PHE 41 Ca 0.15 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1h5i h PHE 41 Cb 0.47 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1h5i h PHE 41 CO 0.04 -0.07 0.00 0.45 -2.23 0.00 0.00 178.31 176.50 1h5i h HIS 42 N -0.22 0.00 0.01 0.41 3.86 -0.95 -1.92 115.15 116.35 1h5i h HIS 42 Ca -0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1h5i h HIS 42 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1h5i h HIS 42 CO -0.06 0.00 -0.00 0.22 0.86 0.00 0.00 177.93 178.95 1h5i h ASP 43 N 0.00 -0.01 -0.07 2.45 3.58 -0.53 -3.34 116.42 118.50 1h5i h ASP 43 Ca 0.00 -0.81 -0.03 0.00 0.42 0.00 0.00 57.03 56.61 1h5i h ASP 43 Cb 0.36 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1h5i h ASP 43 CO 0.00 0.83 -0.01 0.00 -2.88 0.00 0.00 179.24 177.17 1h5i n PHE 45 N -4.39 0.00 -3.82 0.00 3.01 -0.74 -2.80 117.46 108.73 1h5i n PHE 45 Ca -0.01 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.15 1h5i n PHE 45 Cb 0.18 -0.05 -0.15 0.00 -0.01 0.00 0.00 39.48 39.45 1h5i n PHE 45 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1h5i s VAL 46 N -2.10 1.28 -1.43 -4.37 1.01 -0.98 -4.71 120.40 109.11 1h5i s VAL 46 Ca 0.42 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1h5i s VAL 46 Cb 0.21 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1h5i s VAL 46 CO 0.37 -0.66 0.00 -3.20 0.00 0.00 0.00 175.10 171.61 1h5i n ASN 47 N 4.67 -5.09 0.00 3.32 5.15 -1.26 -4.75 115.26 117.30 1h5i n ASN 47 Ca -0.00 0.33 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 1h5i n ASN 47 Cb 0.42 -3.78 0.00 0.00 -0.53 0.00 0.00 39.78 35.89 1h5i n ASN 47 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h5i n GLY 48 N -0.71 -0.55 3.56 8.20 0.00 -1.12 -4.65 105.19 109.92 1h5i n GLY 48 Ca -0.14 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 1h5i n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h5i n ASP 50 N 8.74 1.22 -1.72 0.00 5.75 -1.26 -4.73 116.55 124.55 1h5i n ASP 50 Ca 0.36 -2.41 -0.19 0.00 -0.01 0.00 0.00 54.79 52.55 1h5i n ASP 50 Cb 0.50 -0.27 -0.07 0.00 -1.03 0.00 0.00 41.12 40.25 1h5i n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1h5i n ALA 51 N -0.68 -0.36 0.14 2.12 0.00 -1.26 -1.07 120.51 119.40 1h5i n ALA 51 Ca 0.07 0.27 0.03 0.00 0.00 0.00 0.00 53.44 53.81 1h5i n ALA 51 Cb 0.62 -1.92 0.41 0.00 0.00 0.00 0.00 19.45 18.56 1h5i n ALA 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h5i h SER 52 N 0.00 0.17 0.53 0.00 4.64 -1.86 -2.34 113.55 114.69 1h5i h SER 52 Ca -0.40 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.87 1h5i h SER 52 Cb 1.25 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1h5i h SER 52 CO 0.56 0.34 -0.08 -0.29 -0.87 0.00 0.00 176.83 176.49 1h5i h ILE 53 N 0.17 0.31 0.00 0.95 2.10 -1.88 -2.81 117.51 116.35 1h5i h ILE 53 Ca 0.03 -0.49 0.00 0.00 1.08 0.00 0.00 64.86 65.48 1h5i h ILE 53 Cb 0.38 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 1h5i h ILE 53 CO 0.02 0.08 -0.00 0.18 -1.08 0.00 0.00 178.15 177.35 1h5i n LEU 54 N -3.36 0.82 -4.76 2.19 4.77 -0.88 -4.60 117.00 111.18 1h5i n LEU 54 Ca -0.01 0.58 -0.41 0.00 -0.03 0.00 0.00 56.01 56.14 1h5i n LEU 54 Cb 0.25 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1h5i n LEU 54 CO 0.28 -0.18 0.89 -0.76 -1.33 0.00 0.00 177.39 176.29 1h5i s LEU 55 N -4.54 4.48 0.66 2.23 1.43 -1.06 -4.01 118.68 117.87 1h5i s LEU 55 Ca 0.11 2.43 -0.00 0.00 -1.03 0.00 0.00 54.13 55.63 1h5i s LEU 55 Cb 0.12 -3.63 0.09 0.00 0.03 0.00 0.00 46.19 42.80 1h5i s LEU 55 CO 0.60 -0.35 0.91 -1.81 0.23 0.00 0.00 176.35 175.93 1h5i s ASP 56 N -0.48 4.73 0.63 2.29 1.01 -0.35 -4.49 116.67 120.00 1h5i s ASP 56 Ca 0.48 -0.17 -0.18 0.00 0.71 0.00 0.00 52.55 53.39 1h5i s ASP 56 Cb -0.35 -0.42 -0.03 0.00 1.01 0.00 0.00 42.92 43.13 1h5i s ASP 56 CO 0.44 -1.57 1.14 0.59 0.21 0.00 0.00 175.17 175.98 1h5i n ASN 57 N -2.66 1.48 -4.10 0.27 3.02 -1.26 -4.65 115.26 107.36 1h5i n ASN 57 Ca 0.12 0.82 -0.10 0.00 -0.03 0.00 0.00 54.58 55.39 1h5i n ASN 57 Cb 0.60 -1.48 -0.09 0.00 -0.61 0.00 0.00 39.78 38.21 1h5i n ASN 57 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1h5i s THR 58 N -1.44 0.04 -1.05 3.41 -4.23 -0.95 -4.99 115.64 106.43 1h5i s THR 58 Ca 0.79 -1.73 0.23 0.00 -1.18 0.00 0.00 61.69 59.80 1h5i s THR 58 Cb -0.40 -2.16 0.21 0.00 1.34 0.00 0.00 72.50 71.49 1h5i s THR 58 CO 0.43 -0.20 1.73 0.35 -0.54 0.00 0.00 174.62 176.39 1h5i n THR 59 N -0.22 0.43 -0.08 3.99 -2.24 -1.26 -3.37 114.28 111.53 1h5i n THR 59 Ca -0.03 0.11 -0.05 0.00 -2.27 0.00 0.00 64.05 61.81 1h5i n THR 59 Cb 0.64 -0.72 -0.16 0.00 -2.10 0.00 0.00 70.33 67.99 1h5i n THR 59 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1h5i n SER 60 N -1.47 0.09 -3.83 3.42 3.41 -1.26 -5.00 113.62 108.98 1h5i n SER 60 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.55 1h5i n SER 60 Cb 0.25 1.22 -0.11 0.00 -0.26 0.00 0.00 64.21 65.31 1h5i n SER 60 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1h5i s PHE 61 N -2.71 -0.11 0.40 7.33 -0.12 -1.22 -5.14 117.98 116.42 1h5i s PHE 61 Ca -0.09 0.25 -0.15 0.00 -0.05 0.00 0.00 56.93 56.88 1h5i s PHE 61 Cb 0.08 0.03 -0.09 0.00 -0.63 0.00 0.00 43.02 42.41 1h5i s PHE 61 CO 0.83 -0.20 0.84 1.03 -0.05 0.00 0.00 175.22 177.67 1h5i s ARG 62 N -0.61 3.98 0.35 1.99 1.81 -1.26 -2.25 118.95 122.97 1h5i s ARG 62 Ca -0.07 0.77 -0.25 0.00 -1.72 0.00 0.00 55.73 54.46 1h5i s ARG 62 Cb -0.04 -2.31 -0.10 0.00 -0.45 0.00 0.00 34.95 32.05 1h5i s ARG 62 CO 0.01 -0.01 0.98 -0.08 -0.68 0.00 0.00 175.30 175.52 1h5i s THR 63 N -2.25 4.07 -0.89 0.02 -1.32 -1.26 -4.15 115.64 109.86 1h5i s THR 63 Ca 0.56 1.64 0.17 0.00 -1.21 0.00 0.00 61.69 62.85 1h5i s THR 63 Cb -0.10 -3.87 0.16 0.00 -1.51 0.00 0.00 72.50 67.18 1h5i s THR 63 CO 0.23 0.06 1.55 -0.62 -2.21 0.00 0.00 174.62 173.63 1h5i n GLU 64 N 0.27 0.05 0.22 7.08 1.02 -1.26 -2.61 120.64 125.41 1h5i n GLU 64 Ca 0.03 0.27 0.15 0.00 -0.02 0.00 0.00 57.16 57.60 1h5i n GLU 64 Cb 0.50 -1.58 0.72 0.00 -0.02 0.00 0.00 31.44 31.06 1h5i n GLU 64 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1h5i h LYS 65 N 0.00 0.00 -0.63 3.49 1.57 -1.85 -1.30 116.57 117.85 1h5i h LYS 65 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h5i h LYS 65 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1h5i h LYS 65 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 1h5i n ASP 66 N -2.65 5.03 -4.81 0.86 8.00 -1.07 -2.46 116.55 119.45 1h5i n ASP 66 Ca -0.00 -2.58 -0.32 0.00 0.71 0.00 0.00 54.79 52.59 1h5i n ASP 66 Cb 0.18 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1h5i n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h5i s ALA 67 N -2.10 2.81 0.47 2.24 0.00 -0.49 -4.71 121.76 119.98 1h5i s ALA 67 Ca 0.52 0.32 0.15 0.00 0.00 0.00 0.00 51.96 52.95 1h5i s ALA 67 Cb 0.35 -3.20 1.11 0.00 0.00 0.00 0.00 23.12 21.38 1h5i s ALA 67 CO 0.22 -0.72 2.04 0.74 0.00 0.00 0.00 175.76 178.04 1h5i h PHE 68 N 0.43 0.28 -0.00 0.00 0.04 -1.91 0.19 116.94 115.97 1h5i h PHE 68 Ca -0.47 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1h5i h PHE 68 Cb 1.21 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1h5i h PHE 68 CO 0.60 0.15 -0.23 0.41 -0.60 0.00 0.00 178.31 178.64 1h5i n GLY 69 N -1.53 -1.35 0.05 -1.45 0.00 -1.26 -4.29 105.19 95.36 1h5i n GLY 69 Ca 0.05 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1h5i n GLY 69 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h5i n ASN 70 N -1.46 3.13 -4.66 1.61 3.02 -0.40 -4.55 115.26 111.94 1h5i n ASN 70 Ca 0.07 -0.05 -0.47 0.00 -0.03 0.00 0.00 54.58 54.10 1h5i n ASN 70 Cb 0.33 -0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.42 1h5i n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h5i n ALA 71 N -2.74 1.08 -3.44 5.41 0.00 0.55 -0.43 120.51 120.93 1h5i n ALA 71 Ca -0.18 0.43 -0.25 0.00 0.00 0.00 0.00 53.44 53.44 1h5i n ALA 71 Cb 0.71 -2.34 0.01 0.00 0.00 0.00 0.00 19.45 17.83 1h5i n ALA 71 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1h5i n ASN 72 N 3.77 -4.65 0.16 0.00 5.15 -1.26 -4.69 115.26 113.74 1h5i n ASN 72 Ca 0.18 -0.48 0.00 0.00 -0.60 0.00 0.00 54.58 53.68 1h5i n ASN 72 Cb 0.28 -3.78 0.00 0.00 -0.53 0.00 0.00 39.78 35.75 1h5i n ASN 72 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1h5i n SER 73 N -2.51 -1.72 -4.77 1.20 2.88 -0.55 -5.10 113.62 103.05 1h5i n SER 73 Ca -0.02 0.59 -0.40 0.00 -1.33 0.00 0.00 58.87 57.70 1h5i n SER 73 Cb 0.56 1.74 0.00 0.00 -0.75 0.00 0.00 64.21 65.76 1h5i n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h5i s ALA 74 N -1.93 3.40 0.28 -1.46 0.00 0.43 -5.00 121.76 117.48 1h5i s ALA 74 Ca 0.00 1.46 -0.13 0.00 0.00 0.00 0.00 51.96 53.30 1h5i s ALA 74 Cb 0.00 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1h5i s ALA 74 CO 0.00 -1.04 0.54 -0.98 0.00 0.00 0.00 175.76 174.27 1h5i s ARG 75 N -2.22 1.70 0.00 0.00 1.70 -1.26 -4.96 118.95 113.91 1h5i s ARG 75 Ca 0.56 -1.31 0.00 0.00 -0.47 0.00 0.00 55.73 54.51 1h5i s ARG 75 Cb -0.44 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 1h5i s ARG 75 CO 0.58 -0.73 0.00 0.41 -1.08 0.00 0.00 175.30 174.48 1h5i n GLY 76 N -0.43 0.70 0.37 3.88 0.00 -1.26 -4.59 105.19 103.85 1h5i n GLY 76 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1h5i n GLY 76 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1h5i h PHE 77 N 0.00 1.00 -0.13 1.61 0.04 -1.98 -1.26 116.94 116.22 1h5i h PHE 77 Ca 0.00 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 1h5i h PHE 77 Cb 0.00 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.82 1h5i h PHE 77 CO 0.00 0.42 -0.23 -1.35 -0.60 0.00 0.00 178.31 176.55 1h5i h PRO 78 N 0.89 0.22 -0.46 1.51 0.11 -1.99 -1.93 132.00 130.35 1h5i h PRO 78 Ca 0.45 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.39 1h5i h PRO 78 Cb 0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 1h5i h PRO 78 CO -0.21 0.45 -0.12 0.28 -0.21 0.00 0.00 178.00 178.19 1h5i h VAL 79 N 0.20 1.26 -0.62 3.15 2.07 -1.66 -1.05 116.25 119.60 1h5i h VAL 79 Ca 0.03 -1.22 -0.10 0.00 0.82 0.00 0.00 66.70 66.24 1h5i h VAL 79 Cb 0.53 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1h5i h VAL 79 CO 0.04 0.42 0.01 0.40 0.02 0.00 0.00 177.57 178.46 1h5i h ILE 80 N 0.76 1.27 -0.87 4.57 1.08 -1.07 -1.90 117.51 121.35 1h5i h ILE 80 Ca 0.12 -1.15 0.01 0.00 -0.39 0.00 0.00 64.86 63.46 1h5i h ILE 80 Cb 0.63 0.77 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 1h5i h ILE 80 CO 0.04 0.42 0.58 0.44 -0.69 0.00 0.00 178.15 178.94 1h5i h ASP 81 N 1.00 1.00 -0.00 1.72 3.32 -0.90 -0.45 116.42 122.11 1h5i h ASP 81 Ca 0.18 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1h5i h ASP 81 Cb 0.55 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1h5i h ASP 81 CO 0.03 0.72 0.00 -0.09 -1.72 0.00 0.00 179.24 178.18 1h5i h ARG 82 N 1.18 0.00 -0.30 3.56 2.43 -0.77 -1.20 114.38 119.28 1h5i h ARG 82 Ca 0.32 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.40 1h5i h ARG 82 Cb -0.13 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1h5i h ARG 82 CO -0.07 0.12 -0.20 0.00 -1.51 0.00 0.00 179.97 178.30 1h5i h MET 83 N -0.11 0.56 -0.49 0.20 -0.00 -1.16 -2.02 114.93 111.90 1h5i h MET 83 Ca 0.00 -0.20 -0.00 0.00 -0.00 0.00 0.00 59.70 59.50 1h5i h MET 83 Cb 0.12 -0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 31.65 1h5i h MET 83 CO -0.00 0.73 0.29 -0.22 -0.00 0.00 0.00 176.91 177.71 1h5i h LYS 84 N 0.50 0.67 -0.85 -0.10 1.63 -0.88 0.52 116.57 118.07 1h5i h LYS 84 Ca 0.08 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1h5i h LYS 84 Cb 0.63 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.08 1h5i h LYS 84 CO 0.04 0.50 0.46 0.00 -3.45 0.00 0.00 179.45 177.00 1h5i h ALA 85 N 1.13 1.09 -0.58 5.00 0.00 -0.97 0.12 119.26 125.05 1h5i h ALA 85 Ca 0.18 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1h5i h ALA 85 Cb 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1h5i h ALA 85 CO -0.03 0.61 0.04 0.00 0.00 0.00 0.00 179.25 179.86 1h5i h ALA 86 N 1.25 0.77 -0.24 0.00 0.00 -0.85 -1.77 119.26 118.41 1h5i h ALA 86 Ca 0.30 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1h5i h ALA 86 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1h5i h ALA 86 CO -0.05 0.57 -0.49 0.28 0.00 0.00 0.00 179.25 179.56 1h5i h VAL 87 N 0.88 1.30 -0.25 0.00 2.07 -0.53 -2.34 116.25 117.39 1h5i h VAL 87 Ca 0.17 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 1h5i h VAL 87 Cb 0.50 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1h5i h VAL 87 CO 0.02 0.54 -0.05 -0.33 0.02 0.00 0.00 177.57 177.78 1h5i h GLU 88 N 0.53 0.38 -0.20 1.57 4.39 -0.61 0.52 114.58 121.16 1h5i h GLU 88 Ca 0.02 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1h5i h GLU 88 Cb 1.05 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 1h5i h GLU 88 CO 0.10 0.45 -0.10 1.03 -1.16 0.00 0.00 179.01 179.33 1h5i h SER 89 N 0.37 0.43 0.15 1.42 0.87 -1.08 -1.80 113.55 113.91 1h5i h SER 89 Ca 0.08 -0.41 -0.20 0.00 -1.23 0.00 0.00 61.79 60.03 1h5i h SER 89 Cb 0.32 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1h5i h SER 89 CO 0.01 0.75 -0.77 0.00 -0.53 0.00 0.00 176.83 176.29 1h5i h ALA 90 N 0.70 0.49 -2.25 6.23 0.00 -1.05 -3.40 119.26 119.98 1h5i h ALA 90 Ca 0.04 -0.62 -0.52 0.00 0.00 0.00 0.00 54.91 53.82 1h5i h ALA 90 Cb 0.58 -0.04 -0.35 0.00 0.00 0.00 0.00 17.79 17.98 1h5i h ALA 90 CO 0.03 0.74 -0.87 0.00 0.00 0.00 0.00 179.25 179.16 1h5i n PRO 92 N 3.36 1.72 -4.28 0.00 -0.02 -0.68 -3.05 135.00 132.05 1h5i n PRO 92 Ca 0.22 0.61 -0.37 0.00 -2.02 0.00 0.00 63.50 61.94 1h5i n PRO 92 Cb 0.45 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 1h5i n PRO 92 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1h5i n ARG 93 N 1.86 -2.43 -0.03 -0.52 1.74 -1.26 -4.85 116.66 111.16 1h5i n ARG 93 Ca 0.12 0.30 -0.07 0.00 -0.77 0.00 0.00 57.85 57.44 1h5i n ARG 93 Cb 0.29 -4.85 -0.02 0.00 -1.02 0.00 0.00 32.46 26.86 1h5i n ARG 93 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1h5i n THR 94 N -4.32 0.52 -3.32 0.55 -1.04 -1.17 -4.99 114.28 100.51 1h5i n THR 94 Ca 0.02 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.05 61.61 1h5i n THR 94 Cb 0.51 -1.62 -0.08 0.00 -1.82 0.00 0.00 70.33 67.32 1h5i n THR 94 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1h5i s VAL 95 N -2.14 5.13 0.70 12.58 1.01 -1.26 -5.04 120.40 131.38 1h5i s VAL 95 Ca -0.09 0.77 -0.13 0.00 0.00 0.00 0.00 61.98 62.52 1h5i s VAL 95 Cb 0.03 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1h5i s VAL 95 CO 0.12 0.16 1.10 -0.94 0.00 0.00 0.00 175.10 175.54 1h5i s SER 96 N 1.38 4.91 0.28 3.32 1.04 -1.26 -4.81 113.70 118.56 1h5i s SER 96 Ca 0.19 1.91 0.03 0.00 0.48 0.00 0.00 55.95 58.56 1h5i s SER 96 Cb -0.15 -2.54 0.42 0.00 0.10 0.00 0.00 66.02 63.85 1h5i s SER 96 CO 0.09 -1.77 1.72 0.00 0.98 0.00 0.00 173.24 174.27 1h5i h ALA 98 N 1.32 0.60 -0.30 0.00 0.00 -1.85 -0.16 119.26 118.86 1h5i h ALA 98 Ca 0.06 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1h5i h ALA 98 Cb 0.68 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1h5i h ALA 98 CO 0.05 0.04 -0.44 -0.44 0.00 0.00 0.00 179.25 178.47 1h5i h ASP 99 N 0.64 0.90 -0.60 0.00 3.32 -1.75 -2.55 116.42 116.38 1h5i h ASP 99 Ca 0.17 -0.51 0.06 0.00 0.02 0.00 0.00 57.03 56.78 1h5i h ASP 99 Cb -0.07 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.17 1h5i h ASP 99 CO -0.04 1.23 0.30 0.25 -1.72 0.00 0.00 179.24 179.26 1h5i h LEU 100 N 0.60 0.42 -1.01 1.55 5.85 -0.77 0.44 115.31 122.38 1h5i h LEU 100 Ca 0.03 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 1h5i h LEU 100 Cb 1.03 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1h5i h LEU 100 CO 0.10 0.27 -0.30 0.25 -0.34 0.00 0.00 178.44 178.42 1h5i h LEU 101 N 0.56 0.34 -0.22 2.25 5.85 -1.00 0.31 115.31 123.40 1h5i h LEU 101 Ca 0.28 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1h5i h LEU 101 Cb 0.21 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1h5i h LEU 101 CO -0.20 0.64 -0.07 0.74 -0.34 0.00 0.00 178.44 179.21 1h5i h THR 102 N 0.30 1.29 -0.63 1.05 2.02 -0.85 -1.07 112.91 115.03 1h5i h THR 102 Ca 0.04 -1.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.08 1h5i h THR 102 Cb 0.69 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 1h5i h THR 102 CO 0.05 0.33 0.20 0.40 0.37 0.00 0.00 175.52 176.87 1h5i h ILE 103 N 0.15 1.25 -1.00 3.11 2.04 -0.77 -2.28 117.51 120.01 1h5i h ILE 103 Ca 0.05 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1h5i h ILE 103 Cb 0.54 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1h5i h ILE 103 CO 0.03 0.32 0.66 0.00 0.00 0.00 0.00 178.15 179.15 1h5i h ALA 104 N 1.07 1.31 -0.32 1.87 0.00 -0.80 0.55 119.26 122.94 1h5i h ALA 104 Ca 0.20 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1h5i h ALA 104 Cb 0.29 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1h5i h ALA 104 CO -0.01 0.62 0.05 0.00 0.00 0.00 0.00 179.25 179.92 1h5i h ALA 105 N 1.39 0.43 -0.30 0.00 0.00 -0.90 -0.21 119.26 119.68 1h5i h ALA 105 Ca 0.38 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1h5i h ALA 105 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1h5i h ALA 105 CO -0.10 0.13 0.09 0.37 0.00 0.00 0.00 179.25 179.74 1h5i h GLN 106 N 0.36 0.46 -0.39 0.00 -0.00 -0.94 -1.74 115.11 112.87 1h5i h GLN 106 Ca 0.10 -0.10 -0.05 0.00 -0.00 0.00 0.00 58.65 58.60 1h5i h GLN 106 Cb 0.35 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.74 1h5i h GLN 106 CO 0.01 0.52 0.03 1.96 0.00 0.00 0.00 178.83 181.35 1h5i h GLN 107 N 0.32 0.60 -0.44 1.69 1.08 -0.85 -1.28 115.11 116.23 1h5i h GLN 107 Ca 0.10 -0.13 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1h5i h GLN 107 Cb 0.25 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1h5i h GLN 107 CO -0.00 0.60 0.16 0.77 -0.95 0.00 0.00 178.83 179.41 1h5i h SER 108 N 0.58 0.62 -0.47 1.46 0.02 -0.73 0.95 113.55 115.98 1h5i h SER 108 Ca 0.12 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1h5i h SER 108 Cb 0.32 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1h5i h SER 108 CO 0.01 0.64 0.22 0.58 -1.14 0.00 0.00 176.83 177.14 1h5i h VAL 109 N 0.57 1.19 -0.44 2.27 2.07 -0.91 -2.09 116.25 118.90 1h5i h VAL 109 Ca 0.14 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 1h5i h VAL 109 Cb 0.22 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1h5i h VAL 109 CO -0.01 0.21 0.10 0.74 0.02 0.00 0.00 177.57 178.63 1h5i h THR 110 N 0.61 1.24 -0.10 2.57 2.02 -0.99 0.14 112.91 118.40 1h5i h THR 110 Ca 0.16 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 1h5i h THR 110 Cb 0.12 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1h5i h THR 110 CO -0.02 0.29 -0.00 -0.07 0.37 0.00 0.00 175.52 176.09 1h5i h LEU 111 N 0.59 0.12 -0.43 2.58 3.38 -0.66 -1.01 115.31 119.89 1h5i h LEU 111 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1h5i h LEU 111 Cb 0.34 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1h5i h LEU 111 CO 0.00 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1h5i n ALA 112 N -2.51 2.55 0.00 1.53 0.00 -0.80 -4.86 120.51 116.41 1h5i n ALA 112 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1h5i n ALA 112 Cb 0.14 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1h5i n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h5i n GLY 113 N 0.85 0.77 0.95 0.00 0.00 -0.39 -0.03 105.19 107.34 1h5i n GLY 113 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 1h5i n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h5i n GLY 114 N -1.91 -0.63 3.73 -0.02 0.00 0.47 -4.78 105.19 102.06 1h5i n GLY 114 Ca 0.00 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 1h5i n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h5i s PRO 115 N -3.51 1.87 -0.10 1.61 0.04 -1.26 -4.47 135.00 129.19 1h5i s PRO 115 Ca 0.18 1.42 0.03 0.00 0.04 0.00 0.00 61.00 62.67 1h5i s PRO 115 Cb -0.01 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 1h5i s PRO 115 CO 0.12 -1.97 -0.21 0.45 0.04 0.00 0.00 177.00 175.43 1h5i s SER 116 N -2.84 3.35 0.14 6.66 0.15 -1.26 -3.99 113.70 115.92 1h5i s SER 116 Ca 0.66 -0.48 -0.24 0.00 0.70 0.00 0.00 55.95 56.59 1h5i s SER 116 Cb -0.21 -1.33 0.07 0.00 -1.71 0.00 0.00 66.02 62.84 1h5i s SER 116 CO 0.53 0.19 0.71 -1.66 1.20 0.00 0.00 173.24 174.20 1h5i s TRP 117 N 0.20 -0.41 -0.30 3.44 -2.14 -1.26 -5.13 118.94 113.33 1h5i s TRP 117 Ca -0.13 0.17 -0.15 0.00 2.66 0.00 0.00 56.10 58.65 1h5i s TRP 117 Cb -0.16 0.59 -0.03 0.00 -3.10 0.00 0.00 33.47 30.76 1h5i s TRP 117 CO 0.07 -0.85 0.35 1.03 -2.66 0.00 0.00 176.95 174.89 1h5i s ARG 118 N -3.61 3.82 0.43 3.25 0.52 -1.26 -4.98 118.95 117.12 1h5i s ARG 118 Ca 0.04 -0.19 -0.22 0.00 -0.52 0.00 0.00 55.73 54.84 1h5i s ARG 118 Cb -0.02 -3.72 -0.09 0.00 0.52 0.00 0.00 34.95 31.64 1h5i s ARG 118 CO -0.08 -0.37 1.02 0.14 0.02 0.00 0.00 175.30 176.03 1h5i s VAL 119 N 2.02 3.92 0.44 3.52 -7.23 -1.26 -4.82 120.40 116.99 1h5i s VAL 119 Ca 0.13 1.31 -0.25 0.00 -1.81 0.00 0.00 61.98 61.36 1h5i s VAL 119 Cb -0.16 -3.60 -0.08 0.00 0.56 0.00 0.00 36.38 33.10 1h5i s VAL 119 CO 0.11 -0.14 1.35 -2.84 -0.31 0.00 0.00 175.10 173.26 1h5i s PRO 120 N -2.88 3.77 0.26 4.82 0.02 -1.26 -4.14 135.00 135.59 1h5i s PRO 120 Ca 0.62 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.90 1h5i s PRO 120 Cb -0.17 -2.65 -0.05 0.00 0.02 0.00 0.00 34.50 31.64 1h5i s PRO 120 CO 0.21 -0.68 0.05 -0.51 -0.33 0.00 0.00 177.00 175.74 1h5i s LEU 121 N -2.68 1.99 0.00 -5.54 1.43 0.36 -4.77 118.68 109.47 1h5i s LEU 121 Ca 0.60 -1.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1h5i s LEU 121 Cb -0.40 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 45.64 1h5i s LEU 121 CO 0.51 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 177.08 1h5i n GLY 122 N -0.50 0.48 3.77 -3.19 0.00 -1.26 -0.91 105.19 103.58 1h5i n GLY 122 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1h5i n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h5i s ARG 123 N 0.00 2.94 0.31 1.61 0.52 -1.26 -4.46 118.95 118.61 1h5i s ARG 123 Ca 0.00 1.40 0.07 0.00 -0.52 0.00 0.00 55.73 56.69 1h5i s ARG 123 Cb 0.00 -1.97 -0.06 0.00 0.52 0.00 0.00 34.95 33.44 1h5i s ARG 123 CO 0.00 -1.14 -0.06 1.03 0.02 0.00 0.00 175.30 175.15 1h5i s ARG 124 N -3.97 1.65 0.11 3.54 0.52 0.40 -4.54 118.95 116.67 1h5i s ARG 124 Ca 0.67 -1.85 -0.20 0.00 -0.52 0.00 0.00 55.73 53.83 1h5i s ARG 124 Cb -0.21 -1.32 -0.07 0.00 0.52 0.00 0.00 34.95 33.87 1h5i s ARG 124 CO 0.39 0.05 0.63 -0.51 0.02 0.00 0.00 175.30 175.88 1h5i s ASP 125 N -3.51 7.13 0.81 0.23 1.01 0.48 -4.45 116.67 118.36 1h5i s ASP 125 Ca 0.31 1.35 -0.11 0.00 0.71 0.00 0.00 52.55 54.81 1h5i s ASP 125 Cb 0.04 -2.39 0.08 0.00 1.01 0.00 0.00 42.92 41.66 1h5i s ASP 125 CO 0.14 0.23 1.13 -0.94 0.21 0.00 0.00 175.17 175.94 1h5i s SER 126 N -1.21 3.93 0.00 0.27 1.04 -0.23 -1.94 113.70 115.56 1h5i s SER 126 Ca 0.32 2.06 0.21 0.00 0.48 0.00 0.00 55.95 59.03 1h5i s SER 126 Cb -0.20 -2.55 0.39 0.00 0.10 0.00 0.00 66.02 63.76 1h5i s SER 126 CO 0.21 -2.43 1.35 0.18 0.98 0.00 0.00 173.24 173.53 1h5i n LEU 127 N -3.55 3.34 -3.73 2.42 4.77 -1.26 -4.80 117.00 114.19 1h5i n LEU 127 Ca 0.11 -1.51 -0.05 0.00 -0.03 0.00 0.00 56.01 54.53 1h5i n LEU 127 Cb 0.52 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1h5i n LEU 127 CO 0.50 0.72 0.66 0.00 -1.33 0.00 0.00 177.39 177.94 1h5i s GLN 128 N -1.41 1.27 0.24 3.23 -2.07 -1.26 -4.98 119.66 114.69 1h5i s GLN 128 Ca 0.36 -0.68 0.09 0.00 -1.82 0.00 0.00 55.36 53.31 1h5i s GLN 128 Cb 0.21 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 32.54 1h5i s GLN 128 CO 0.29 -0.58 0.04 0.00 -1.32 0.00 0.00 175.29 173.72 1h5i s ALA 129 N -3.41 3.25 -0.58 2.60 0.00 -1.26 -4.76 121.76 117.61 1h5i s ALA 129 Ca 0.11 -1.54 0.05 0.00 0.00 0.00 0.00 51.96 50.57 1h5i s ALA 129 Cb -0.02 -0.93 0.17 0.00 0.00 0.00 0.00 23.12 22.34 1h5i s ALA 129 CO 0.01 0.31 0.43 -0.06 0.00 0.00 0.00 175.76 176.45 1h5i s PHE 130 N -2.15 2.50 0.10 0.00 0.40 -1.26 -4.81 117.98 112.76 1h5i s PHE 130 Ca 0.31 -2.90 -0.20 0.00 -0.60 0.00 0.00 56.93 53.54 1h5i s PHE 130 Cb -0.07 -1.93 -0.08 0.00 0.51 0.00 0.00 43.02 41.44 1h5i s PHE 130 CO 0.21 -0.67 1.65 1.25 0.70 0.00 0.00 175.22 178.36 1h5i h LEU 131 N 5.50 0.29 -0.86 -0.37 5.85 -1.84 -0.94 115.31 122.94 1h5i h LEU 131 Ca 0.20 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1h5i h LEU 131 Cb 0.82 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1h5i h LEU 131 CO 0.57 0.35 0.38 0.44 -0.34 0.00 0.00 178.44 179.84 1h5i h ASP 132 N 0.20 1.10 -0.19 1.25 3.32 -1.93 -1.13 116.42 119.05 1h5i h ASP 132 Ca 0.07 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 1h5i h ASP 132 Cb 0.15 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1h5i h ASP 132 CO -0.01 0.94 -0.15 0.25 -1.72 0.00 0.00 179.24 178.56 1h5i h LEU 133 N 1.19 0.58 -0.51 1.55 5.85 -1.94 -1.78 115.31 120.25 1h5i h LEU 133 Ca 0.28 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1h5i h LEU 133 Cb 0.15 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1h5i h LEU 133 CO -0.03 0.75 -0.01 0.00 -0.34 0.00 0.00 178.44 178.81 1h5i h ALA 134 N 1.31 0.69 -0.14 1.25 0.00 -0.55 0.32 119.26 122.14 1h5i h ALA 134 Ca 0.09 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1h5i h ALA 134 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1h5i h ALA 134 CO 0.04 0.51 -0.16 -0.91 0.00 0.00 0.00 179.25 178.73 1h5i h ASN 135 N 0.77 0.21 0.43 0.00 2.35 -0.87 -1.88 115.58 116.58 1h5i h ASN 135 Ca 0.14 -0.05 -0.31 0.00 -0.55 0.00 0.00 56.30 55.54 1h5i h ASN 135 Cb 0.54 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 1h5i h ASN 135 CO 0.03 0.39 -1.54 0.00 -1.65 0.00 0.00 177.43 174.66 1h5i h ALA 136 N 1.63 0.24 0.00 -0.83 0.00 -0.98 -3.40 119.26 115.92 1h5i h ALA 136 Ca 0.04 -1.10 -0.23 0.00 0.00 0.00 0.00 54.91 53.63 1h5i h ALA 136 Cb 0.41 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1h5i h ALA 136 CO 0.03 1.11 -1.63 0.09 0.00 0.00 0.00 179.25 178.84 1h5i n ASN 137 N -3.48 0.75 -4.71 0.00 4.13 0.11 -4.90 115.26 107.17 1h5i n ASN 137 Ca -0.17 0.34 -0.42 0.00 1.68 0.00 0.00 54.58 56.01 1h5i n ASN 137 Cb 1.05 0.22 -0.03 0.00 -1.54 0.00 0.00 39.78 39.48 1h5i n ASN 137 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1h5i s LEU 138 N -5.82 4.36 0.76 3.41 1.43 -0.72 -4.94 118.68 117.16 1h5i s LEU 138 Ca -0.04 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 54.95 1h5i s LEU 138 Cb 0.08 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.77 1h5i s LEU 138 CO 0.82 -0.50 1.08 -2.16 0.23 0.00 0.00 176.35 175.82 1h5i s PRO 139 N 1.27 2.39 0.16 1.29 0.04 -1.26 -4.97 135.00 133.93 1h5i s PRO 139 Ca 0.59 1.03 0.11 0.00 0.04 0.00 0.00 61.00 62.77 1h5i s PRO 139 Cb -0.29 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1h5i s PRO 139 CO 0.28 -1.51 -0.25 0.00 0.04 0.00 0.00 177.00 175.57 1h5i s ALA 140 N -2.97 2.48 0.62 8.56 0.00 -1.26 -4.99 121.76 124.20 1h5i s ALA 140 Ca 0.60 -1.55 0.34 0.00 0.00 0.00 0.00 51.96 51.35 1h5i s ALA 140 Cb -0.16 -0.37 1.97 0.00 0.00 0.00 0.00 23.12 24.57 1h5i s ALA 140 CO 0.56 0.49 2.23 -1.00 0.00 0.00 0.00 175.76 178.03 1h5i h PRO 141 N 3.52 0.00 -0.21 0.00 0.13 -1.97 -1.62 132.00 131.85 1h5i h PRO 141 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1h5i h PRO 141 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1h5i h PRO 141 CO 0.44 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.18 1h5i n PHE 142 N -3.51 0.28 -2.11 1.56 1.16 -1.26 -1.90 117.46 111.68 1h5i n PHE 142 Ca -0.02 -0.14 -0.39 0.00 -1.87 0.00 0.00 57.45 55.04 1h5i n PHE 142 Cb 0.16 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.03 1h5i n PHE 142 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1h5i s PHE 143 N -1.72 2.81 0.81 2.97 0.40 -0.61 -4.97 117.98 117.67 1h5i s PHE 143 Ca 0.31 1.46 -0.12 0.00 -0.60 0.00 0.00 56.93 57.98 1h5i s PHE 143 Cb 0.17 -3.57 0.09 0.00 0.51 0.00 0.00 43.02 40.22 1h5i s PHE 143 CO 0.24 -1.91 1.17 0.95 0.70 0.00 0.00 175.22 176.37 1h5i s THR 144 N -1.36 2.03 0.21 0.64 -4.23 -1.26 -4.41 115.64 107.26 1h5i s THR 144 Ca 0.60 -0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 60.99 1h5i s THR 144 Cb -0.35 -3.00 0.16 0.00 1.34 0.00 0.00 72.50 70.65 1h5i s THR 144 CO 0.43 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.60 1h5i h LEU 145 N -1.05 0.96 -1.30 4.79 5.85 -1.96 -0.53 115.31 122.08 1h5i h LEU 145 Ca -0.46 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.17 1h5i h LEU 145 Cb 1.32 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1h5i h LEU 145 CO 0.63 0.78 0.41 -0.65 -0.34 0.00 0.00 178.44 179.27 1h5i h PRO 146 N 1.07 0.89 -0.29 5.25 0.11 -1.94 -0.27 132.00 136.82 1h5i h PRO 146 Ca 0.27 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 66.18 1h5i h PRO 146 Cb 0.02 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1h5i h PRO 146 CO -0.05 0.61 -0.37 1.96 -0.21 0.00 0.00 178.00 179.95 1h5i h GLN 147 N 0.91 0.65 -0.33 1.05 4.20 -1.71 -0.33 115.11 119.54 1h5i h GLN 147 Ca 0.24 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1h5i h GLN 147 Cb -0.06 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1h5i h GLN 147 CO -0.05 0.91 0.09 -0.07 -0.67 0.00 0.00 178.83 179.04 1h5i h LEU 148 N 0.54 0.49 -0.72 1.46 3.38 -0.45 -0.56 115.31 119.45 1h5i h LEU 148 Ca 0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1h5i h LEU 148 Cb 0.88 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1h5i h LEU 148 CO 0.08 0.59 0.40 0.11 0.09 0.00 0.00 178.44 179.70 1h5i h LYS 149 N 0.37 1.00 -0.55 1.13 1.57 -0.92 -1.95 116.57 117.23 1h5i h LYS 149 Ca 0.10 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1h5i h LYS 149 Cb 0.28 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1h5i h LYS 149 CO -0.00 0.75 0.36 -0.44 -0.57 0.00 0.00 179.45 179.55 1h5i h ASP 150 N 0.99 0.63 -0.68 0.86 3.32 -0.79 -0.81 116.42 119.94 1h5i h ASP 150 Ca 0.25 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1h5i h ASP 150 Cb 0.03 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1h5i h ASP 150 CO -0.04 0.47 0.42 0.77 -1.72 0.00 0.00 179.24 179.14 1h5i h SER 151 N 0.74 0.81 -0.26 6.45 4.64 -0.61 0.79 113.55 126.12 1h5i h SER 151 Ca 0.20 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.38 1h5i h SER 151 Cb -0.08 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 1h5i h SER 151 CO -0.04 0.62 -0.21 -0.26 -0.87 0.00 0.00 176.83 176.07 1h5i h PHE 152 N 0.93 0.71 -0.46 4.77 -1.00 -1.13 -3.01 116.94 117.75 1h5i h PHE 152 Ca 0.25 -0.20 -0.03 0.00 2.81 0.00 0.00 57.97 60.80 1h5i h PHE 152 Cb -0.05 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.33 1h5i h PHE 152 CO -0.02 0.89 0.17 0.00 -1.61 0.00 0.00 178.31 177.74 1h5i h ARG 153 N 0.32 0.67 -0.51 1.51 3.08 -0.94 -0.34 114.38 118.17 1h5i h ARG 153 Ca 0.05 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.05 1h5i h ARG 153 Cb 0.75 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 1h5i h ARG 153 CO 0.05 0.56 0.34 -0.97 -1.07 0.00 0.00 179.97 178.89 1h5i h ASN 154 N 0.66 0.42 -0.05 7.04 -1.24 -0.70 -1.73 115.58 119.98 1h5i h ASN 154 Ca 0.16 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.17 1h5i h ASN 154 Cb 0.16 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1h5i h ASN 154 CO -0.01 0.28 0.00 1.33 -1.29 0.00 0.00 177.43 177.73 1h5i n VAL 155 N -4.47 0.03 0.00 2.57 0.24 -0.95 -4.95 118.33 110.79 1h5i n VAL 155 Ca 0.07 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1h5i n VAL 155 Cb 0.22 1.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 1h5i n VAL 155 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h5i n GLY 156 N 1.31 0.85 3.29 7.63 0.00 -0.65 -4.86 105.19 112.77 1h5i n GLY 156 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 1h5i n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h5i s LEU 157 N 0.00 6.34 0.31 0.99 1.43 -0.18 -4.91 118.68 122.66 1h5i s LEU 157 Ca 0.00 -2.35 0.16 0.00 -1.03 0.00 0.00 54.13 50.91 1h5i s LEU 157 Cb 0.00 -2.16 0.22 0.00 0.03 0.00 0.00 46.19 44.28 1h5i s LEU 157 CO 0.00 -0.66 1.51 0.78 0.23 0.00 0.00 176.35 178.22 1h5i h ASN 158 N 8.12 0.00 -3.59 2.29 2.35 -1.87 -2.91 115.58 119.97 1h5i h ASN 158 Ca -0.06 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.18 1h5i h ASN 158 Cb 1.05 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.41 1h5i h ASN 158 CO 0.85 0.46 0.37 -0.13 -1.65 0.00 0.00 177.43 177.33 1h5i s ARG 159 N -3.10 4.71 0.52 0.81 0.52 -1.26 -4.93 118.95 116.22 1h5i s ARG 159 Ca 0.03 1.49 0.25 0.00 -0.52 0.00 0.00 55.73 56.98 1h5i s ARG 159 Cb 0.08 -3.35 1.45 0.00 0.52 0.00 0.00 34.95 33.65 1h5i s ARG 159 CO 0.73 0.25 2.10 0.77 0.02 0.00 0.00 175.30 179.17 1h5i h SER 160 N 5.31 0.00 -0.18 0.23 0.02 -1.96 0.02 113.55 116.99 1h5i h SER 160 Ca -0.43 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.44 1h5i h SER 160 Cb 1.21 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 1h5i h SER 160 CO 0.71 0.10 -0.11 -1.28 -1.14 0.00 0.00 176.83 175.11 1h5i h SER 161 N 0.00 0.53 0.14 3.07 0.87 -1.94 0.07 113.55 116.29 1h5i h SER 161 Ca -0.00 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1h5i h SER 161 Cb 0.24 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1h5i h SER 161 CO 0.01 0.68 -0.07 0.44 -0.53 0.00 0.00 176.83 177.36 1h5i h ASP 162 N 0.50 -0.16 -0.03 6.23 3.32 -1.37 0.25 116.42 125.16 1h5i h ASP 162 Ca 0.09 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1h5i h ASP 162 Cb 0.50 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 1h5i h ASP 162 CO 0.03 -0.11 0.01 0.25 -1.72 0.00 0.00 179.24 177.70 1h5i h LEU 163 N -0.19 0.04 -0.38 1.55 5.85 -1.28 -1.15 115.31 119.75 1h5i h LEU 163 Ca -0.02 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 1h5i h LEU 163 Cb 0.14 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1h5i h LEU 163 CO 0.03 0.14 -0.06 0.58 -0.34 0.00 0.00 178.44 178.79 1h5i h VAL 164 N -0.07 1.27 -0.20 1.05 2.07 -0.94 -1.89 116.25 117.54 1h5i h VAL 164 Ca 0.01 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 1h5i h VAL 164 Cb 0.11 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1h5i h VAL 164 CO -0.00 0.37 -0.09 0.00 0.02 0.00 0.00 177.57 177.87 1h5i h ALA 165 N 0.85 0.28 0.00 1.67 0.00 -0.96 -3.13 119.26 117.96 1h5i h ALA 165 Ca 0.10 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1h5i h ALA 165 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1h5i h ALA 165 CO 0.03 0.10 -0.36 -0.07 0.00 0.00 0.00 179.25 178.95 1h5i h LEU 166 N 0.11 0.00 -1.62 0.00 3.38 -1.25 -1.27 115.31 114.66 1h5i h LEU 166 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1h5i h LEU 166 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1h5i h LEU 166 CO 0.03 0.36 0.00 0.28 0.09 0.00 0.00 178.44 179.20 1h5i h SER 167 N 0.00 0.00 0.18 -0.43 0.02 -1.29 -0.63 113.55 111.41 1h5i h SER 167 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1h5i h SER 167 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1h5i h SER 167 CO 0.05 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 1h5i n GLY 168 N -0.76 -0.61 0.18 -3.77 0.00 -0.48 -1.58 105.19 98.17 1h5i n GLY 168 Ca -0.01 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1h5i n GLY 168 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1h5i h GLY 169 N 1.32 0.00 -1.76 -0.02 0.00 -1.29 -1.24 103.07 100.08 1h5i h GLY 169 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1h5i h GLY 169 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 1h5i n HIS 170 N -2.39 0.62 1.55 5.60 8.25 -0.62 -3.60 115.22 124.63 1h5i n HIS 170 Ca -0.00 -0.22 0.15 0.00 -0.26 0.00 0.00 57.72 57.39 1h5i n HIS 170 Cb 0.14 -0.22 0.78 0.00 1.12 0.00 0.00 29.99 31.80 1h5i n HIS 170 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1h5i n THR 171 N 0.18 0.00 -3.92 1.59 5.66 -0.47 -3.86 114.28 113.46 1h5i n THR 171 Ca 0.08 -0.01 -0.11 0.00 -3.05 0.00 0.00 64.05 60.96 1h5i n THR 171 Cb 0.53 -0.43 -0.01 0.00 -1.55 0.00 0.00 70.33 68.87 1h5i n THR 171 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1h5i s PHE 172 N -2.43 0.43 0.00 1.09 -0.71 -1.24 -4.45 117.98 110.68 1h5i s PHE 172 Ca 0.33 -0.91 0.00 0.00 -1.04 0.00 0.00 56.93 55.31 1h5i s PHE 172 Cb 0.21 0.46 0.00 0.00 -1.21 0.00 0.00 43.02 42.47 1h5i s PHE 172 CO 0.44 -1.34 0.00 0.41 -1.34 0.00 0.00 175.22 173.39 1h5i n GLY 173 N -0.52 0.12 3.59 1.99 0.00 -1.13 -4.69 105.19 104.55 1h5i n GLY 173 Ca -0.04 -1.88 -0.24 0.00 0.00 0.00 0.00 46.02 43.86 1h5i n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h5i s LYS 174 N -1.58 2.10 -0.03 1.61 -0.14 -1.26 -2.23 119.74 118.21 1h5i s LYS 174 Ca 0.00 -1.49 -0.01 0.00 -1.36 0.00 0.00 55.97 53.11 1h5i s LYS 174 Cb 0.00 -2.06 0.02 0.00 -1.68 0.00 0.00 37.83 34.11 1h5i s LYS 174 CO 0.00 0.37 0.06 1.21 -0.76 0.00 0.00 175.35 176.23 1h5i s ASN 175 N -3.51 -0.02 0.36 2.83 2.47 0.25 -4.87 114.94 112.45 1h5i s ASN 175 Ca 0.30 0.12 -0.25 0.00 0.42 0.00 0.00 52.86 53.44 1h5i s ASN 175 Cb -0.06 0.05 -0.09 0.00 -1.45 0.00 0.00 41.25 39.70 1h5i s ASN 175 CO 0.18 -0.09 1.04 -1.10 -3.72 0.00 0.00 177.10 173.41 1h5i s GLN 176 N 0.65 4.32 0.37 0.43 -0.21 -1.26 -0.29 119.66 123.67 1h5i s GLN 176 Ca -0.05 1.53 0.14 0.00 0.02 0.00 0.00 55.36 57.00 1h5i s GLN 176 Cb -0.07 -2.70 0.96 0.00 1.00 0.00 0.00 33.01 32.20 1h5i s GLN 176 CO -0.02 -0.00 1.81 0.00 -2.12 0.00 0.00 175.29 174.96 1h5i h ARG 178 N 0.54 0.27 0.00 0.00 0.11 -1.30 -1.06 114.38 112.93 1h5i h ARG 178 Ca 0.53 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.59 1h5i h ARG 178 Cb 1.13 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1h5i h ARG 178 CO -0.27 0.18 0.00 1.19 0.10 0.00 0.00 179.97 181.17 1h5i n PHE 179 N -4.51 0.00 -0.27 4.08 3.72 -0.68 -3.72 117.46 116.08 1h5i n PHE 179 Ca 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 1h5i n PHE 179 Cb 0.98 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 1h5i n PHE 179 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1h5i n ILE 180 N -1.32 0.06 -0.32 4.37 -5.35 -0.43 -4.80 119.36 111.57 1h5i n ILE 180 Ca 0.13 -0.39 0.12 0.00 -0.27 0.00 0.00 62.75 62.33 1h5i n ILE 180 Cb 0.25 1.22 0.34 0.00 -1.74 0.00 0.00 39.64 39.71 1h5i n ILE 180 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 1h5i h MET 181 N 0.00 0.75 -0.35 6.28 2.86 -1.56 -1.16 114.93 121.75 1h5i h MET 181 Ca 0.00 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1h5i h MET 181 Cb 0.18 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1h5i h MET 181 CO 0.00 0.49 0.03 0.38 1.06 0.00 0.00 176.91 178.88 1h5i h ASP 182 N 0.77 0.58 -0.27 1.22 2.03 -1.84 -1.51 116.42 117.40 1h5i h ASP 182 Ca 0.50 -0.28 -0.01 0.00 -0.73 0.00 0.00 57.03 56.51 1h5i h ASP 182 Cb 0.75 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 39.08 1h5i h ASP 182 CO -0.27 0.72 0.14 0.03 -1.03 0.00 0.00 179.24 178.83 1h5i h ARG 183 N 0.42 0.42 0.08 4.15 3.08 -1.51 -0.65 114.38 120.38 1h5i h ARG 183 Ca 0.10 -0.04 -0.26 0.00 0.07 0.00 0.00 59.98 59.85 1h5i h ARG 183 Cb 0.40 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1h5i h ARG 183 CO 0.01 0.33 -1.22 -0.07 -1.07 0.00 0.00 179.97 177.95 1h5i h LEU 184 N 0.43 0.27 0.00 3.04 3.38 -0.98 0.13 115.31 121.57 1h5i h LEU 184 Ca 0.11 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1h5i h LEU 184 Cb 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1h5i h LEU 184 CO -0.02 1.24 -0.68 -1.22 0.09 0.00 0.00 178.44 177.85 1h5i n TYR 185 N -3.45 0.00 -3.18 1.13 4.01 -0.59 -4.44 117.16 110.64 1h5i n TYR 185 Ca -0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.58 1h5i n TYR 185 Cb 1.00 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.99 1h5i n TYR 185 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1h5i s ASN 186 N -2.69 -0.32 -0.16 7.72 2.47 -0.47 -3.62 114.94 117.87 1h5i s ASN 186 Ca 0.00 -1.48 -0.21 0.00 0.42 0.00 0.00 52.86 51.59 1h5i s ASN 186 Cb 0.00 1.25 -0.03 0.00 -1.45 0.00 0.00 41.25 41.02 1h5i s ASN 186 CO 0.00 -0.17 0.63 0.12 -3.72 0.00 0.00 177.10 173.95 1h5i s PHE 187 N 1.32 3.44 -1.53 0.43 5.36 0.35 -4.18 117.98 123.16 1h5i s PHE 187 Ca 0.21 0.99 -0.10 0.00 -0.96 0.00 0.00 56.93 57.07 1h5i s PHE 187 Cb -0.06 -2.77 0.08 0.00 -0.34 0.00 0.00 43.02 39.92 1h5i s PHE 187 CO -0.06 -0.08 0.73 0.45 -1.46 0.00 0.00 175.22 174.81 1h5i n SER 188 N 4.61 -2.69 -2.53 6.13 2.88 -1.26 -1.51 113.62 119.25 1h5i n SER 188 Ca -0.02 -0.92 -0.18 0.00 -1.33 0.00 0.00 58.87 56.42 1h5i n SER 188 Cb 0.50 -3.31 -0.00 0.00 -0.75 0.00 0.00 64.21 60.65 1h5i n SER 188 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1h5i n ASN 189 N -2.84 -5.06 0.01 -3.46 3.02 -1.26 -4.86 115.26 100.82 1h5i n ASN 189 Ca -0.08 0.02 0.11 0.00 -0.03 0.00 0.00 54.58 54.60 1h5i n ASN 189 Cb 0.57 -4.22 0.02 0.00 -0.61 0.00 0.00 39.78 35.54 1h5i n ASN 189 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1h5i n THR 190 N -3.82 0.07 -1.01 3.41 -2.24 -0.57 -4.94 114.28 105.18 1h5i n THR 190 Ca -0.18 -0.13 -0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1h5i n THR 190 Cb 0.64 0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1h5i n THR 190 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h5i n GLY 191 N 1.43 0.36 3.27 3.38 0.00 -1.26 -4.95 105.19 107.42 1h5i n GLY 191 Ca 0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1h5i n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h5i s LEU 192 N -0.08 2.49 0.83 0.99 1.43 -1.24 -4.72 118.68 118.38 1h5i s LEU 192 Ca 0.00 -1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 51.95 1h5i s LEU 192 Cb 0.00 -0.35 0.09 0.00 0.03 0.00 0.00 46.19 45.96 1h5i s LEU 192 CO 0.00 -0.35 1.09 -2.16 0.23 0.00 0.00 176.35 175.16 1h5i s PRO 193 N -3.76 1.79 -0.01 1.29 0.04 -1.26 -0.49 135.00 132.60 1h5i s PRO 193 Ca 0.19 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 61.81 1h5i s PRO 193 Cb 0.03 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 1h5i s PRO 193 CO 0.02 -1.89 1.86 0.34 0.04 0.00 0.00 177.00 177.38 1h5i s ASP 194 N -3.53 6.48 0.43 6.66 -1.08 0.44 -4.76 116.67 121.30 1h5i s ASP 194 Ca 0.62 2.46 0.30 0.00 -0.52 0.00 0.00 52.55 55.41 1h5i s ASP 194 Cb -0.17 -2.53 1.52 0.00 -1.46 0.00 0.00 42.92 40.29 1h5i s ASP 194 CO 0.56 -1.06 1.91 1.55 0.52 0.00 0.00 175.17 178.65 1h5i h PRO 195 N 10.44 0.00 -0.13 4.34 0.13 -1.91 -2.04 132.00 142.83 1h5i h PRO 195 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1h5i h PRO 195 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1h5i h PRO 195 CO 0.95 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.97 1h5i n THR 196 N -2.58 0.16 -3.64 1.56 -2.24 -1.26 -4.76 114.28 101.52 1h5i n THR 196 Ca -0.01 -0.24 -0.37 0.00 -2.27 0.00 0.00 64.05 61.15 1h5i n THR 196 Cb 0.11 0.16 -0.11 0.00 -2.10 0.00 0.00 70.33 68.39 1h5i n THR 196 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1h5i s LEU 197 N -1.50 3.98 0.03 3.22 2.96 -0.77 -4.71 118.68 121.90 1h5i s LEU 197 Ca 0.29 0.01 -0.37 0.00 -0.22 0.00 0.00 54.13 53.84 1h5i s LEU 197 Cb 0.15 -2.09 -0.17 0.00 0.50 0.00 0.00 46.19 44.58 1h5i s LEU 197 CO 0.23 -0.01 1.37 -3.20 -1.32 0.00 0.00 176.35 173.43 1h5i n ASN 198 N 4.76 1.63 0.26 3.68 2.85 0.26 -4.77 115.26 123.93 1h5i n ASN 198 Ca -0.15 1.12 0.11 0.00 -0.11 0.00 0.00 54.58 55.55 1h5i n ASN 198 Cb 0.52 -1.17 0.69 0.00 1.24 0.00 0.00 39.78 41.07 1h5i n ASN 198 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1h5i h THR 199 N 3.54 0.71 -0.03 -0.44 1.35 -1.93 0.19 112.91 116.30 1h5i h THR 199 Ca -0.48 -0.49 -0.15 0.00 -0.55 0.00 0.00 66.41 64.74 1h5i h THR 199 Cb 1.34 1.30 0.01 0.00 -1.73 0.00 0.00 68.15 69.07 1h5i h THR 199 CO 0.79 0.12 -0.56 0.74 -0.25 0.00 0.00 175.52 176.36 1h5i h THR 200 N 0.00 1.42 -0.15 6.82 2.02 -1.99 -2.97 112.91 118.05 1h5i h THR 200 Ca -0.00 -2.00 -0.07 0.00 0.77 0.00 0.00 66.41 65.10 1h5i h THR 200 Cb 0.29 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1h5i h THR 200 CO 0.02 0.59 -0.24 0.22 0.37 0.00 0.00 175.52 176.47 1h5i h TYR 201 N -0.07 0.29 -0.59 3.16 3.20 -1.83 -2.48 116.97 118.65 1h5i h TYR 201 Ca -0.06 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.81 1h5i h TYR 201 Cb 1.25 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.40 1h5i h TYR 201 CO 0.14 0.49 0.31 1.25 -1.64 0.00 0.00 178.16 178.71 1h5i h LEU 202 N 0.24 0.43 -0.38 2.82 5.85 -0.59 -0.03 115.31 123.66 1h5i h LEU 202 Ca 0.04 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1h5i h LEU 202 Cb 0.56 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1h5i h LEU 202 CO 0.04 0.29 0.22 1.56 -0.34 0.00 0.00 178.44 180.21 1h5i h GLN 203 N 0.57 0.53 -0.11 1.25 7.50 -1.29 -0.49 115.11 123.07 1h5i h GLN 203 Ca 0.27 -0.05 0.01 0.00 0.50 0.00 0.00 58.65 59.38 1h5i h GLN 203 Cb 0.19 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.60 1h5i h GLN 203 CO -0.19 0.41 0.03 1.15 -1.50 0.00 0.00 178.83 178.73 1h5i h THR 204 N 0.49 0.96 -0.34 -0.54 2.02 -1.16 -1.98 112.91 112.38 1h5i h THR 204 Ca 0.14 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 1h5i h THR 204 Cb 0.03 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1h5i h THR 204 CO -0.02 0.01 -0.03 -0.07 0.37 0.00 0.00 175.52 175.78 1h5i h LEU 205 N 0.08 0.50 -1.35 2.58 3.38 -0.87 -1.92 115.31 117.71 1h5i h LEU 205 Ca 0.05 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1h5i h LEU 205 Cb 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1h5i h LEU 205 CO -0.06 0.60 -0.25 0.03 0.09 0.00 0.00 178.44 178.85 1h5i h ARG 206 N 0.51 0.11 -0.03 1.13 3.08 -0.72 0.17 114.38 118.64 1h5i h ARG 206 Ca 0.11 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 1h5i h ARG 206 Cb 0.38 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1h5i h ARG 206 CO 0.02 0.36 -0.61 0.78 -1.07 0.00 0.00 179.97 179.44 1h5i h GLY 207 N 0.87 0.12 1.57 0.04 0.00 -0.61 -2.31 103.07 102.75 1h5i h GLY 207 Ca 0.02 -0.15 -0.22 0.00 0.00 0.00 0.00 47.33 46.98 1h5i h GLY 207 CO 0.04 0.13 -1.21 1.41 0.00 0.00 0.00 176.54 176.91 1h5i h LEU 208 N 0.08 0.00 -6.07 3.11 3.38 -0.98 -3.39 115.31 111.43 1h5i h LEU 208 Ca -0.01 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.38 1h5i h LEU 208 Cb 1.10 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.45 1h5i h LEU 208 CO 0.09 0.90 -0.84 0.00 0.09 0.00 0.00 178.44 178.68 1h5i s PRO 210 N -1.95 2.36 0.32 0.00 0.04 -0.88 -4.65 135.00 130.24 1h5i s PRO 210 Ca 0.38 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 1h5i s PRO 210 Cb 0.17 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.73 1h5i s PRO 210 CO -0.06 -1.66 1.51 -1.17 0.04 0.00 0.00 177.00 175.66 1h5i s LEU 211 N -4.95 4.35 -1.09 -3.56 0.20 -1.26 -1.40 118.68 110.96 1h5i s LEU 211 Ca 0.74 2.93 0.00 0.00 0.69 0.00 0.00 54.13 58.49 1h5i s LEU 211 Cb -0.28 -3.65 0.00 0.00 -0.43 0.00 0.00 46.19 41.83 1h5i s LEU 211 CO 0.43 -0.84 0.00 0.59 -0.29 0.00 0.00 176.35 176.24 1h5i n ASN 212 N 1.42 -4.60 -1.66 3.68 5.03 -1.26 -5.00 115.26 112.88 1h5i n ASN 212 Ca 0.05 0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.75 1h5i n ASN 212 Cb 0.39 -3.00 0.00 0.00 -1.02 0.00 0.00 39.78 36.15 1h5i n ASN 212 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1h5i n GLY 213 N -1.24 0.88 3.58 7.41 0.00 -0.49 -4.98 105.19 110.34 1h5i n GLY 213 Ca -0.10 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 1h5i n GLY 213 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h5i s ASN 214 N -1.00 5.76 0.54 1.61 3.04 -1.26 -4.86 114.94 118.78 1h5i s ASN 214 Ca 0.00 0.81 0.35 0.00 0.04 0.00 0.00 52.86 54.06 1h5i s ASN 214 Cb 0.00 -2.53 1.53 0.00 -1.54 0.00 0.00 41.25 38.71 1h5i s ASN 214 CO 0.00 -1.90 2.02 -0.07 -3.04 0.00 0.00 177.10 174.12 1h5i h LEU 215 N 14.35 0.00 -0.69 3.21 3.38 -1.94 -2.59 115.31 131.04 1h5i h LEU 215 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1h5i h LEU 215 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1h5i h LEU 215 CO 1.12 0.00 -0.10 -1.20 0.09 0.00 0.00 178.44 178.34 1h5i n SER 216 N -2.99 1.17 -4.75 -0.43 7.64 -1.26 -0.89 113.62 112.11 1h5i n SER 216 Ca 0.00 -1.18 -0.40 0.00 1.01 0.00 0.00 58.87 58.30 1h5i n SER 216 Cb 0.25 0.04 0.02 0.00 -1.01 0.00 0.00 64.21 63.51 1h5i n SER 216 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h5i n ALA 217 N -0.27 1.91 -2.88 -0.43 0.00 -0.98 -4.70 120.51 113.16 1h5i n ALA 217 Ca 0.16 0.26 -0.36 0.00 0.00 0.00 0.00 53.44 53.50 1h5i n ALA 217 Cb 0.34 -2.37 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 1h5i n ALA 217 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1h5i s LEU 218 N -2.42 4.39 0.09 0.00 1.43 -1.26 -0.78 118.68 120.13 1h5i s LEU 218 Ca 0.61 0.46 0.06 0.00 -1.03 0.00 0.00 54.13 54.22 1h5i s LEU 218 Cb -0.46 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1h5i s LEU 218 CO 0.58 0.38 -0.15 0.54 0.23 0.00 0.00 176.35 177.93 1h5i s VAL 219 N -1.08 1.27 0.16 -1.59 0.11 0.60 -4.92 120.40 114.96 1h5i s VAL 219 Ca 0.17 -1.43 -0.30 0.00 -2.93 0.00 0.00 61.98 57.49 1h5i s VAL 219 Cb -0.12 -1.25 -0.07 0.00 -1.53 0.00 0.00 36.38 33.40 1h5i s VAL 219 CO 0.07 -0.23 1.10 -1.81 -3.33 0.00 0.00 175.10 170.89 1h5i s ASP 220 N -1.91 7.27 0.27 3.54 1.01 -1.26 -0.58 116.67 125.00 1h5i s ASP 220 Ca 0.02 2.06 0.00 0.00 0.71 0.00 0.00 52.55 55.34 1h5i s ASP 220 Cb -0.09 -2.60 0.37 0.00 1.01 0.00 0.00 42.92 41.61 1h5i s ASP 220 CO 0.03 -0.23 1.73 -0.26 0.21 0.00 0.00 175.17 176.64 1h5i h PHE 221 N 5.28 0.66 -3.73 4.23 0.04 -1.72 -3.40 116.94 118.30 1h5i h PHE 221 Ca -0.44 -0.13 -0.68 0.00 2.80 0.00 0.00 57.97 59.53 1h5i h PHE 221 Cb 1.21 -0.17 -0.36 0.00 2.20 0.00 0.00 35.95 38.83 1h5i h PHE 221 CO 0.63 0.74 -0.71 0.34 -0.60 0.00 0.00 178.31 178.71 1h5i s ASP 222 N -6.76 4.79 0.43 2.17 2.15 -1.25 -4.38 116.67 113.82 1h5i s ASP 222 Ca -0.08 -1.67 0.30 0.00 0.43 0.00 0.00 52.55 51.53 1h5i s ASP 222 Cb 0.14 -1.66 1.28 0.00 -0.30 0.00 0.00 42.92 42.37 1h5i s ASP 222 CO 0.80 -0.32 1.89 0.17 -0.17 0.00 0.00 175.17 177.54 1h5i h LEU 223 N 7.84 0.00 0.00 -1.34 -0.00 -1.91 -2.46 115.31 117.44 1h5i h LEU 223 Ca -0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.73 1h5i h LEU 223 Cb 1.04 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.70 1h5i h LEU 223 CO 0.54 0.00 -0.04 0.03 -0.00 0.00 0.00 178.44 178.97 1h5i h ARG 224 N 0.00 0.00 -2.66 0.17 3.08 -1.93 -3.43 114.38 109.61 1h5i h ARG 224 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1h5i h ARG 224 Cb 0.39 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.04 1h5i h ARG 224 CO 0.00 0.17 -0.83 0.95 -1.07 0.00 0.00 179.97 179.20 1h5i s THR 225 N -1.70 1.17 0.46 2.04 -4.23 -1.23 -5.02 115.64 107.12 1h5i s THR 225 Ca -0.04 -3.02 0.29 0.00 -1.18 0.00 0.00 61.69 57.74 1h5i s THR 225 Cb -0.00 -1.79 0.48 0.00 1.34 0.00 0.00 72.50 72.53 1h5i s THR 225 CO 0.13 -1.11 1.72 -0.65 -0.54 0.00 0.00 174.62 174.17 1h5i h PRO 226 N 5.81 0.17 0.00 3.99 0.11 -1.68 -2.92 132.00 137.48 1h5i h PRO 226 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1h5i h PRO 226 Cb 0.87 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1h5i h PRO 226 CO 0.47 0.11 0.00 0.25 -0.21 0.00 0.00 178.00 178.63 1h5i n THR 227 N -4.49 0.22 -3.77 -1.15 -2.24 -1.26 -2.84 114.28 98.75 1h5i n THR 227 Ca 0.30 -0.58 -0.36 0.00 -2.27 0.00 0.00 64.05 61.15 1h5i n THR 227 Cb 1.22 0.94 -0.07 0.00 -2.10 0.00 0.00 70.33 70.31 1h5i n THR 227 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1h5i s ILE 228 N -0.22 5.44 -0.59 2.28 1.01 -1.10 -4.87 121.20 123.14 1h5i s ILE 228 Ca 0.00 0.22 -0.25 0.00 0.00 0.00 0.00 60.65 60.63 1h5i s ILE 228 Cb 0.00 -3.46 0.04 0.00 0.01 0.00 0.00 42.46 39.06 1h5i s ILE 228 CO 0.00 0.51 1.01 0.12 0.00 0.00 0.00 174.94 176.57 1h5i s PHE 229 N -0.17 2.70 0.25 3.97 2.19 0.96 -4.53 117.98 123.34 1h5i s PHE 229 Ca 0.11 -0.06 -0.03 0.00 0.33 0.00 0.00 56.93 57.28 1h5i s PHE 229 Cb -0.12 -4.22 0.01 0.00 -1.31 0.00 0.00 43.02 37.39 1h5i s PHE 229 CO 0.01 -1.50 0.37 -0.40 1.83 0.00 0.00 175.22 175.53 1h5i n ASP 230 N 7.80 -1.05 -0.40 6.13 5.68 -1.26 -3.65 116.55 129.80 1h5i n ASP 230 Ca 0.02 -2.28 0.04 0.00 -0.50 0.00 0.00 54.79 52.07 1h5i n ASP 230 Cb 0.47 1.92 0.14 0.00 -1.14 0.00 0.00 41.12 42.51 1h5i n ASP 230 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1h5i n ASN 231 N -1.71 1.17 0.26 -1.12 6.94 -1.26 -4.20 115.26 115.35 1h5i n ASN 231 Ca -0.01 -1.95 0.13 0.00 -0.02 0.00 0.00 54.58 52.73 1h5i n ASN 231 Cb 0.41 -0.14 0.79 0.00 -2.36 0.00 0.00 39.78 38.48 1h5i n ASN 231 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1h5i h LYS 232 N 1.31 0.00 -0.96 -3.83 1.79 -1.94 -2.06 116.57 110.87 1h5i h LYS 232 Ca 0.00 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.61 1h5i h LYS 232 Cb 0.30 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.86 1h5i h LYS 232 CO 0.00 0.00 0.58 -0.92 -1.08 0.00 0.00 179.45 178.03 1h5i h TYR 233 N 0.00 1.04 -0.00 -1.35 3.20 -1.90 -1.52 116.97 116.44 1h5i h TYR 233 Ca 0.02 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.74 1h5i h TYR 233 Cb 0.08 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 1h5i h TYR 233 CO 0.00 0.34 -0.81 1.88 -1.64 0.00 0.00 178.16 177.93 1h5i h TYR 234 N 0.86 0.13 -0.56 -3.82 0.05 -1.71 -2.79 116.97 109.13 1h5i h TYR 234 Ca 0.51 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 59.15 1h5i h TYR 234 Cb 0.62 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 1h5i h TYR 234 CO -0.02 0.86 0.07 0.28 -1.05 0.00 0.00 178.16 178.30 1h5i h VAL 235 N 0.05 1.24 -0.20 -2.88 2.07 -1.37 -2.38 116.25 112.78 1h5i h VAL 235 Ca -0.02 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1h5i h VAL 235 Cb 1.42 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1h5i h VAL 235 CO 0.11 0.35 0.12 0.78 0.02 0.00 0.00 177.57 178.96 1h5i h ASN 236 N 0.85 0.24 -0.96 0.57 2.35 -1.16 -2.73 115.58 114.75 1h5i h ASN 236 Ca 0.17 -0.06 0.09 0.00 -0.55 0.00 0.00 56.30 55.96 1h5i h ASN 236 Cb 0.40 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.63 1h5i h ASN 236 CO 0.01 0.23 0.60 -0.07 -1.65 0.00 0.00 177.43 176.56 1h5i h LEU 237 N 0.24 0.92 -2.33 1.61 3.38 -1.21 0.14 115.31 118.06 1h5i h LEU 237 Ca 0.07 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1h5i h LEU 237 Cb 0.03 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1h5i h LEU 237 CO -0.01 0.54 -0.04 -0.33 0.09 0.00 0.00 178.44 178.69 1h5i h GLU 238 N 1.03 0.00 -0.57 1.13 5.08 -1.13 -0.79 114.58 119.34 1h5i h GLU 238 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1h5i h GLU 238 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1h5i h GLU 238 CO -0.22 0.04 0.00 0.39 -1.00 0.00 0.00 179.01 178.22 1h5i n GLU 239 N -3.67 3.53 -2.70 2.33 1.02 -0.06 -4.94 120.64 116.16 1h5i n GLU 239 Ca -0.03 -2.78 -0.18 0.00 -0.02 0.00 0.00 57.16 54.15 1h5i n GLU 239 Cb 0.14 -1.81 0.02 0.00 -0.02 0.00 0.00 31.44 29.77 1h5i n GLU 239 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1h5i n GLN 240 N 0.87 -3.16 -0.51 3.49 1.13 -0.30 -4.57 117.38 114.32 1h5i n GLN 240 Ca 0.24 0.79 0.05 0.00 -1.94 0.00 0.00 57.00 56.13 1h5i n GLN 240 Cb 0.83 -5.30 0.23 0.00 0.11 0.00 0.00 30.24 26.12 1h5i n GLN 240 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1h5i n LYS 241 N -3.19 2.50 -2.14 -1.09 5.02 0.30 -0.57 118.16 118.99 1h5i n LYS 241 Ca -0.13 -2.91 -0.40 0.00 -2.02 0.00 0.00 58.31 52.84 1h5i n LYS 241 Cb 0.62 -1.81 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 1h5i n LYS 241 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1h5i s GLY 242 N -2.16 2.99 -0.03 0.72 0.00 -1.26 -4.71 107.32 102.87 1h5i s GLY 242 Ca 0.42 1.23 -0.21 0.00 0.00 0.00 0.00 44.72 46.16 1h5i s GLY 242 CO 0.06 1.86 0.92 -2.00 0.00 0.00 0.00 173.10 173.94 1h5i h LEU 243 N 3.31 -0.28-10.21 0.66 5.85 -1.93 -3.43 115.31 109.28 1h5i h LEU 243 Ca -0.49 -0.25 -0.46 0.00 0.84 0.00 0.00 57.88 57.53 1h5i h LEU 243 Cb 1.23 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1h5i h LEU 243 CO 0.65 0.21 -0.41 0.27 -0.34 0.00 0.00 178.44 178.82 1h5i s ILE 244 N -3.70 4.94 0.19 4.05 -4.36 -1.26 -4.95 121.20 116.11 1h5i s ILE 244 Ca -0.12 -1.01 -0.13 0.00 -0.26 0.00 0.00 60.65 59.12 1h5i s ILE 244 Cb 0.01 -3.73 0.14 0.00 1.25 0.00 0.00 42.46 40.13 1h5i s ILE 244 CO 0.45 -0.29 1.67 -0.61 0.24 0.00 0.00 174.94 176.41 1h5i h GLN 245 N 1.12 0.10 0.00 0.37 4.15 -1.87 -0.58 115.11 118.39 1h5i h GLN 245 Ca -0.50 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 58.91 1h5i h GLN 245 Cb 1.24 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.90 1h5i h GLN 245 CO 0.59 0.06 -0.02 0.66 -1.93 0.00 0.00 178.83 178.20 1h5i h SER 246 N 0.10 0.00 0.17 -0.69 4.64 -1.59 -0.70 113.55 115.48 1h5i h SER 246 Ca 0.26 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 1h5i h SER 246 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1h5i h SER 246 CO -0.45 0.02 -0.08 0.44 -0.87 0.00 0.00 176.83 175.89 1h5i h ASP 247 N 0.00 -0.19 0.20 4.97 3.32 -1.44 -3.33 116.42 119.96 1h5i h ASP 247 Ca -0.00 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.76 1h5i h ASP 247 Cb 0.05 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1h5i h ASP 247 CO 0.00 0.37 -0.12 -0.61 -1.72 0.00 0.00 179.24 177.17 1h5i h GLN 248 N -0.97 0.00 0.00 3.56 5.75 -1.17 -2.51 115.11 119.77 1h5i h GLN 248 Ca -0.02 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1h5i h GLN 248 Cb 0.44 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.99 1h5i h GLN 248 CO 0.04 0.12 -0.00 0.93 -2.65 0.00 0.00 178.83 177.26 1h5i h GLU 249 N 0.00 0.00 0.00 1.69 4.39 -1.24 0.35 114.58 119.78 1h5i h GLU 249 Ca -0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1h5i h GLU 249 Cb 0.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1h5i h GLU 249 CO 0.02 0.00 -0.22 -0.07 -1.16 0.00 0.00 179.01 177.58 1h5i h LEU 250 N 0.00 0.00 0.00 1.33 3.38 -1.58 -2.28 115.31 116.16 1h5i h LEU 250 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1h5i h LEU 250 Cb 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1h5i h LEU 250 CO 0.00 0.22 -1.77 0.33 0.09 0.00 0.00 178.44 177.31 1h5i n PHE 251 N -3.78 0.00 0.63 1.13 7.35 -0.51 -3.58 117.46 118.69 1h5i n PHE 251 Ca -0.02 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.74 1h5i n PHE 251 Cb 0.32 -0.55 -0.07 0.00 0.35 0.00 0.00 39.48 39.53 1h5i n PHE 251 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1h5i n SER 252 N -2.44 0.64 -4.76 -2.13 7.64 -0.00 -4.86 113.62 107.71 1h5i n SER 252 Ca -0.19 -0.82 -0.38 0.00 1.01 0.00 0.00 58.87 58.50 1h5i n SER 252 Cb 0.86 0.99 0.03 0.00 -1.01 0.00 0.00 64.21 65.08 1h5i n SER 252 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1h5i s SER 253 N -2.25 5.47 0.51 6.43 0.15 -0.86 -4.87 113.70 118.28 1h5i s SER 253 Ca 0.05 2.57 0.34 0.00 0.70 0.00 0.00 55.95 59.61 1h5i s SER 253 Cb 0.10 -2.62 1.70 0.00 -1.71 0.00 0.00 66.02 63.49 1h5i s SER 253 CO 0.54 -1.41 2.03 -0.65 1.20 0.00 0.00 173.24 174.95 1h5i h PRO 254 N 1.48 0.00 -0.69 5.44 0.11 -1.96 -0.78 132.00 135.60 1h5i h PRO 254 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1h5i h PRO 254 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1h5i h PRO 254 CO 0.57 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.65 1h5i n ASN 255 N -2.78 4.09 -1.15 -2.05 4.05 -1.26 -4.54 115.26 111.61 1h5i n ASN 255 Ca -0.01 -2.14 0.02 0.00 0.45 0.00 0.00 54.58 52.89 1h5i n ASN 255 Cb 0.14 -0.51 0.17 0.00 1.23 0.00 0.00 39.78 40.81 1h5i n ASN 255 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1h5i n ALA 256 N 1.42 3.19 -0.17 5.20 0.00 -0.30 -4.39 120.51 125.46 1h5i n ALA 256 Ca 0.24 -0.88 0.08 0.00 0.00 0.00 0.00 53.44 52.89 1h5i n ALA 256 Cb 0.69 -1.07 0.39 0.00 0.00 0.00 0.00 19.45 19.46 1h5i n ALA 256 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1h5i h THR 257 N 1.60 0.98 0.00 0.00 2.02 -1.82 -0.40 112.91 115.29 1h5i h THR 257 Ca 0.03 -0.23 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 1h5i h THR 257 Cb 1.22 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1h5i h THR 257 CO 0.24 0.12 -1.17 -2.24 0.37 0.00 0.00 175.52 172.85 1h5i h ASP 258 N 0.67 0.00 0.67 4.18 2.03 -1.97 -3.38 116.42 118.62 1h5i h ASP 258 Ca 0.32 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.41 1h5i h ASP 258 Cb 0.37 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.83 1h5i h ASP 258 CO -0.11 0.46 -1.47 0.71 -1.03 0.00 0.00 179.24 177.80 1h5i h THR 259 N 0.00 0.65 -0.43 1.15 1.35 -1.69 -3.38 112.91 110.56 1h5i h THR 259 Ca -0.11 -2.26 0.05 0.00 -0.55 0.00 0.00 66.41 63.55 1h5i h THR 259 Cb 1.45 2.19 -0.05 0.00 -1.73 0.00 0.00 68.15 70.00 1h5i h THR 259 CO 0.04 0.37 0.15 0.40 -0.25 0.00 0.00 175.52 176.23 1h5i h ILE 260 N 0.00 0.86 0.00 6.82 2.04 -1.14 -0.40 117.51 125.69 1h5i h ILE 260 Ca -0.19 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 1h5i h ILE 260 Cb 1.72 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1h5i h ILE 260 CO 0.06 0.06 -0.21 1.55 0.00 0.00 0.00 178.15 179.61 1h5i h PRO 261 N 0.31 0.00 -0.15 2.37 0.13 -1.78 -0.88 132.00 132.00 1h5i h PRO 261 Ca 0.20 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.17 1h5i h PRO 261 Cb 0.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.33 1h5i h PRO 261 CO -0.21 0.21 -0.52 -0.07 -0.23 0.00 0.00 178.00 177.18 1h5i h LEU 262 N 0.00 0.72 -0.35 1.56 3.38 -1.55 -0.90 115.31 118.17 1h5i h LEU 262 Ca -0.00 -0.61 0.01 0.00 0.09 0.00 0.00 57.88 57.37 1h5i h LEU 262 Cb 0.37 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1h5i h LEU 262 CO 0.03 1.20 0.22 0.58 0.09 0.00 0.00 178.44 180.56 1h5i h VAL 263 N 0.28 1.07 -0.43 1.22 2.07 -0.68 -1.07 116.25 118.71 1h5i h VAL 263 Ca -0.02 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1h5i h VAL 263 Cb 1.15 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1h5i h VAL 263 CO 0.11 0.08 0.25 0.03 0.02 0.00 0.00 177.57 178.06 1h5i h ARG 264 N 0.45 0.60 -0.79 1.57 3.08 -1.15 -1.19 114.38 116.95 1h5i h ARG 264 Ca 0.13 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1h5i h ARG 264 Cb -0.03 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 1h5i h ARG 264 CO -0.04 0.46 0.42 0.66 -1.07 0.00 0.00 179.97 180.40 1h5i h SER 265 N 0.57 1.00 0.80 7.04 4.64 -0.85 -0.93 113.55 125.82 1h5i h SER 265 Ca 0.15 -0.09 -0.15 0.00 -0.47 0.00 0.00 61.79 61.23 1h5i h SER 265 Cb 0.03 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 1h5i h SER 265 CO -0.03 0.81 -0.73 -0.26 -0.87 0.00 0.00 176.83 175.76 1h5i h PHE 266 N 1.11 0.00 -0.01 4.77 0.04 -0.99 -2.49 116.94 119.37 1h5i h PHE 266 Ca 0.28 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.87 1h5i h PHE 266 Cb 0.05 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 1h5i h PHE 266 CO 0.01 0.73 -0.79 0.00 -0.60 0.00 0.00 178.31 177.66 1h5i h ALA 267 N 1.27 0.66 0.00 2.45 0.00 -0.88 -3.27 119.26 119.50 1h5i h ALA 267 Ca -0.01 -0.69 -0.16 0.00 0.00 0.00 0.00 54.91 54.06 1h5i h ALA 267 Cb 1.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1h5i h ALA 267 CO 0.09 0.90 -0.77 -0.91 0.00 0.00 0.00 179.25 178.57 1h5i h ASN 268 N 0.07 0.00 -3.20 0.00 -0.26 -1.08 -3.45 115.58 107.65 1h5i h ASN 268 Ca -0.02 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.39 1h5i h ASN 268 Cb 1.38 0.00 -0.37 0.00 -1.06 0.00 0.00 38.32 38.27 1h5i h ASN 268 CO 0.11 0.77 -0.68 -0.55 -1.06 0.00 0.00 177.43 176.02 1h5i s SER 269 N -6.66 0.86 0.21 5.81 0.15 -0.95 -5.01 113.70 108.12 1h5i s SER 269 Ca 0.01 0.22 -0.09 0.00 0.70 0.00 0.00 55.95 56.79 1h5i s SER 269 Cb 0.10 0.09 0.17 0.00 -1.71 0.00 0.00 66.02 64.67 1h5i s SER 269 CO 0.78 -0.24 1.85 0.74 1.20 0.00 0.00 173.24 177.58 1h5i h THR 270 N 6.38 1.23 -0.52 6.45 2.02 -1.87 -1.56 112.91 125.03 1h5i h THR 270 Ca -0.14 -0.50 0.02 0.00 0.77 0.00 0.00 66.41 66.55 1h5i h THR 270 Cb 1.12 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1h5i h THR 270 CO 0.16 0.24 0.33 -0.61 0.37 0.00 0.00 175.52 176.01 1h5i h GLN 271 N 1.09 0.64 -0.38 6.66 4.15 -1.94 0.19 115.11 125.51 1h5i h GLN 271 Ca 0.29 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 1h5i h GLN 271 Cb -0.03 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 1h5i h GLN 271 CO -0.05 0.42 0.20 1.15 -1.93 0.00 0.00 178.83 178.62 1h5i h THR 272 N 0.65 1.15 0.34 2.39 2.02 -1.78 -0.99 112.91 116.70 1h5i h THR 272 Ca 0.20 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1h5i h THR 272 Cb -0.02 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1h5i h THR 272 CO -0.07 0.16 -0.16 0.15 0.37 0.00 0.00 175.52 175.96 1h5i h PHE 273 N 0.48 -0.42 -0.78 3.16 3.57 -0.82 -2.07 116.94 120.06 1h5i h PHE 273 Ca 0.13 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.71 1h5i h PHE 273 Cb 0.07 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.88 1h5i h PHE 273 CO -0.02 -0.20 0.43 0.74 -2.23 0.00 0.00 178.31 177.04 1h5i h PHE 274 N -0.56 0.79 -0.48 0.41 -1.00 -0.56 0.24 116.94 115.78 1h5i h PHE 274 Ca -0.05 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1h5i h PHE 274 Cb 0.42 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 1h5i h PHE 274 CO -0.03 0.33 0.26 -0.91 -1.61 0.00 0.00 178.31 176.36 1h5i h ASN 275 N 0.75 0.60 -0.10 2.17 2.35 -1.10 -1.57 115.58 118.68 1h5i h ASN 275 Ca 0.37 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 1h5i h ASN 275 Cb 0.32 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1h5i h ASN 275 CO -0.23 0.52 -0.27 0.00 -1.65 0.00 0.00 177.43 175.79 1h5i h ALA 276 N 1.11 1.02 -0.36 -0.83 0.00 -0.61 -1.86 119.26 117.72 1h5i h ALA 276 Ca 0.17 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1h5i h ALA 276 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1h5i h ALA 276 CO -0.03 0.59 0.03 0.35 0.00 0.00 0.00 179.25 180.19 1h5i h PHE 277 N 0.48 0.67 -0.50 0.00 3.57 -0.23 0.66 116.94 121.59 1h5i h PHE 277 Ca 0.07 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1h5i h PHE 277 Cb 0.72 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1h5i h PHE 277 CO 0.03 0.70 0.15 0.28 -2.23 0.00 0.00 178.31 177.23 1h5i h VAL 278 N 0.45 1.23 -0.33 1.41 2.07 -1.20 0.30 116.25 120.18 1h5i h VAL 278 Ca 0.11 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1h5i h VAL 278 Cb 0.41 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1h5i h VAL 278 CO 0.01 0.29 0.19 -0.08 0.02 0.00 0.00 177.57 178.00 1h5i h GLU 279 N 0.68 0.45 -0.31 1.57 4.81 -1.15 -1.04 114.58 119.59 1h5i h GLU 279 Ca 0.16 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.20 1h5i h GLU 279 Cb 0.29 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1h5i h GLU 279 CO -0.00 0.37 -0.37 0.00 -0.73 0.00 0.00 179.01 178.28 1h5i h ALA 280 N 1.06 0.76 -0.64 2.92 0.00 -0.69 -2.26 119.26 120.41 1h5i h ALA 280 Ca 0.12 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1h5i h ALA 280 Cb 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1h5i h ALA 280 CO -0.02 0.66 0.30 0.52 0.00 0.00 0.00 179.25 180.71 1h5i h MET 281 N 0.60 0.92 -0.05 0.00 2.86 -0.14 0.06 114.93 119.18 1h5i h MET 281 Ca 0.06 -0.14 -0.11 0.00 -2.06 0.00 0.00 59.70 57.45 1h5i h MET 281 Cb 0.90 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1h5i h MET 281 CO 0.08 0.74 -0.46 -0.44 1.06 0.00 0.00 176.91 177.88 1h5i h ASP 282 N 0.88 0.13 -0.32 1.22 3.32 -1.11 0.54 116.42 121.07 1h5i h ASP 282 Ca 0.22 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 1h5i h ASP 282 Cb 0.12 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1h5i h ASP 282 CO -0.03 0.57 -0.25 0.03 -1.72 0.00 0.00 179.24 177.85 1h5i h ARG 283 N 0.10 0.73 -0.55 3.56 3.08 -0.91 -2.36 114.38 118.03 1h5i h ARG 283 Ca 0.00 -0.36 -0.09 0.00 0.07 0.00 0.00 59.98 59.61 1h5i h ARG 283 Cb 0.86 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 1h5i h ARG 283 CO 0.07 0.97 -0.00 1.98 -1.07 0.00 0.00 179.97 181.92 1h5i h MET 284 N 0.50 0.93 0.00 0.04 4.05 -0.74 -2.00 114.93 117.71 1h5i h MET 284 Ca 0.06 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 1h5i h MET 284 Cb 0.81 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.51 1h5i h MET 284 CO 0.06 0.93 0.00 0.41 0.23 0.00 0.00 176.91 178.54 1h5i n GLY 285 N -0.53 -0.87 1.17 1.39 0.00 0.16 -2.17 105.19 104.35 1h5i n GLY 285 Ca 0.03 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.10 1h5i n GLY 285 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1h5i n ASN 286 N -1.38 3.62 -4.66 1.61 4.05 -0.75 -4.82 115.26 112.93 1h5i n ASN 286 Ca 0.05 -1.98 -0.43 0.00 0.45 0.00 0.00 54.58 52.68 1h5i n ASN 286 Cb 0.14 -0.37 -0.02 0.00 1.23 0.00 0.00 39.78 40.76 1h5i n ASN 286 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1h5i s ILE 287 N -1.15 4.06 -0.32 -1.44 1.01 -0.92 -4.34 121.20 118.10 1h5i s ILE 287 Ca 0.41 1.27 -0.08 0.00 0.00 0.00 0.00 60.65 62.25 1h5i s ILE 287 Cb 0.22 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.84 1h5i s ILE 287 CO 0.30 -0.16 0.18 0.35 0.00 0.00 0.00 174.94 175.61 1h5i n THR 288 N 5.54 -0.75 -2.38 2.92 -2.24 -1.26 -2.99 114.28 113.12 1h5i n THR 288 Ca 0.15 -0.14 -0.32 0.00 -2.27 0.00 0.00 64.05 61.47 1h5i n THR 288 Cb 0.45 -0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 1h5i n THR 288 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1h5i s PRO 289 N -5.24 3.87 -0.06 -0.78 0.04 -1.26 -4.50 135.00 127.06 1h5i s PRO 289 Ca 0.12 1.01 -0.17 0.00 0.04 0.00 0.00 61.00 62.00 1h5i s PRO 289 Cb -0.07 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1h5i s PRO 289 CO 0.27 -0.34 0.44 -0.51 0.04 0.00 0.00 177.00 176.90 1h5i s LEU 290 N -4.05 4.37 0.30 -3.56 1.43 -1.26 -4.98 118.68 110.92 1h5i s LEU 290 Ca 0.60 0.87 0.04 0.00 -1.03 0.00 0.00 54.13 54.61 1h5i s LEU 290 Cb -0.11 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 1h5i s LEU 290 CO 0.30 0.15 0.20 0.42 0.23 0.00 0.00 176.35 177.65 1h5i s THR 291 N -0.15 0.15 0.00 5.49 -4.23 -1.26 -0.45 115.64 115.18 1h5i s THR 291 Ca 0.24 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1h5i s THR 291 Cb -0.16 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1h5i s THR 291 CO 0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1h5i n GLY 292 N -0.56 1.36 0.55 3.99 0.00 -1.26 -1.38 105.19 107.90 1h5i n GLY 292 Ca 0.03 0.28 0.07 0.00 0.00 0.00 0.00 46.02 46.40 1h5i n GLY 292 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h5i n THR 293 N 0.00 0.08 -2.32 2.61 -2.24 -1.26 -5.00 114.28 106.16 1h5i n THR 293 Ca 0.00 -0.54 -0.40 0.00 -2.27 0.00 0.00 64.05 60.84 1h5i n THR 293 Cb 0.00 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.41 1h5i n THR 293 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1h5i s GLN 294 N -1.10 4.47 2.58 -0.78 -0.21 -0.48 -4.80 119.66 119.35 1h5i s GLN 294 Ca 0.17 1.97 0.00 0.00 0.02 0.00 0.00 55.36 57.52 1h5i s GLN 294 Cb 0.11 -3.09 0.00 0.00 1.00 0.00 0.00 33.01 31.03 1h5i s GLN 294 CO 0.17 0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.75 1h5i n GLY 295 N 0.98 0.07 2.98 3.09 0.00 -1.26 -4.44 105.19 106.61 1h5i n GLY 295 Ca -0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 1h5i n GLY 295 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h5i n GLN 296 N -0.25 0.48 -3.62 1.61 6.02 -0.82 -4.87 117.38 115.94 1h5i n GLN 296 Ca 0.00 -3.08 -0.39 0.00 -0.01 0.00 0.00 57.00 53.51 1h5i n GLN 296 Cb 0.00 2.12 -0.08 0.00 1.02 0.00 0.00 30.24 33.30 1h5i n GLN 296 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1h5i s ILE 297 N -3.10 4.08 0.26 5.09 -1.09 -1.26 -0.39 121.20 124.80 1h5i s ILE 297 Ca 0.28 -2.40 -0.30 0.00 -2.23 0.00 0.00 60.65 56.00 1h5i s ILE 297 Cb 0.01 -3.66 -0.11 0.00 -1.58 0.00 0.00 42.46 37.13 1h5i s ILE 297 CO 0.20 -0.84 1.53 -0.60 -1.23 0.00 0.00 174.94 174.00 1h5i s ARG 298 N 0.58 4.19 -0.03 2.79 3.52 -1.26 -4.93 118.95 123.81 1h5i s ARG 298 Ca 0.12 2.45 -0.05 0.00 -0.13 0.00 0.00 55.73 58.12 1h5i s ARG 298 Cb -0.21 -3.07 -0.28 0.00 -1.56 0.00 0.00 34.95 29.83 1h5i s ARG 298 CO -0.04 -0.55 0.72 -0.07 -0.81 0.00 0.00 175.30 174.56 1h5i h LEU 299 N 5.10 0.44 -7.91 -0.88 3.38 -1.95 -3.42 115.31 110.07 1h5i h LEU 299 Ca -0.46 -0.68 -0.66 0.00 0.09 0.00 0.00 57.88 56.16 1h5i h LEU 299 Cb 1.22 -0.14 -0.36 0.00 0.09 0.00 0.00 40.66 41.46 1h5i h LEU 299 CO 0.80 1.58 -0.82 0.21 0.09 0.00 0.00 178.44 180.30 1h5i s ASN 300 N -7.03 3.96 0.49 -0.43 3.84 -1.26 -4.91 114.94 109.60 1h5i s ASN 300 Ca -0.13 -1.13 0.31 0.00 0.21 0.00 0.00 52.86 52.13 1h5i s ASN 300 Cb 0.06 -1.49 1.70 0.00 -0.55 0.00 0.00 41.25 40.98 1h5i s ASN 300 CO 0.84 -0.13 1.95 0.00 -2.79 0.00 0.00 177.10 176.97 1h5i h ARG 302 N 0.00 0.00 -3.86 0.00 3.08 -1.95 -3.29 114.38 108.35 1h5i h ARG 302 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1h5i h ARG 302 Cb 0.09 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 29.93 1h5i h ARG 302 CO 0.00 0.00 -0.65 0.14 -1.07 0.00 0.00 179.97 178.39 1h5i s VAL 303 N -3.16 0.10 0.42 2.04 -7.23 -0.75 -1.22 120.40 110.61 1h5i s VAL 303 Ca 0.08 -0.82 -0.24 0.00 -1.81 0.00 0.00 61.98 59.18 1h5i s VAL 303 Cb 0.11 -0.29 -0.08 0.00 0.56 0.00 0.00 36.38 36.68 1h5i s VAL 303 CO 0.66 -0.45 1.13 -0.69 -0.31 0.00 0.00 175.10 175.44 1h5i s VAL 304 N -1.38 3.31 0.57 1.32 1.01 -1.26 -4.49 120.40 119.48 1h5i s VAL 304 Ca -0.15 1.02 -0.20 0.00 0.00 0.00 0.00 61.98 62.65 1h5i s VAL 304 Cb -0.09 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1h5i s VAL 304 CO -0.00 0.02 1.25 0.20 0.00 0.00 0.00 175.10 176.57 1h5i s ASN 305 N -1.36 5.26 0.00 3.32 0.01 -1.26 -5.04 114.94 115.86 1h5i s ASN 305 Ca 0.60 2.49 0.00 0.00 -0.71 0.00 0.00 52.86 55.24 1h5i s ASN 305 Cb -0.27 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.78 1h5i s ASN 305 CO 0.34 -1.55 0.37 -1.54 -1.51 0.00 0.00 177.10 173.20