#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1za1 s ASN 2 N 0.00 4.19 0.51 0.00 2.20 -0.48 -4.90 114.94 116.45 1za1 s ASN 2 Ca 0.00 2.07 0.27 0.00 -0.94 0.00 0.00 52.86 54.26 1za1 s ASN 2 Cb 0.00 -2.55 1.38 0.00 -2.00 0.00 0.00 41.25 38.07 1za1 s ASN 2 CO 0.00 -2.26 1.91 -0.65 -2.94 0.00 0.00 177.10 173.17 1za1 h PRO 3 N -0.86 0.08 -0.04 3.55 0.11 -1.95 -2.09 132.00 130.80 1za1 h PRO 3 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1za1 h PRO 3 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1za1 h PRO 3 CO 0.49 0.05 0.00 1.28 -0.21 0.00 0.00 178.00 179.62 1za1 n LEU 4 N -4.35 2.67 -4.67 2.35 4.77 -1.26 -4.90 117.00 111.61 1za1 n LEU 4 Ca 0.16 -0.90 -0.51 0.00 -0.03 0.00 0.00 56.01 54.73 1za1 n LEU 4 Cb 0.81 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.83 1za1 n LEU 4 CO 0.37 0.45 1.49 0.00 -1.33 0.00 0.00 177.39 178.37 1za1 n TYR 5 N 1.09 2.22 -1.41 -1.77 9.36 -0.79 -1.03 117.16 124.83 1za1 n TYR 5 Ca 0.15 0.13 -0.14 0.00 3.32 0.00 0.00 57.90 61.36 1za1 n TYR 5 Cb 0.54 -2.61 -0.06 0.00 -0.63 0.00 0.00 39.34 36.58 1za1 n TYR 5 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1za1 n GLN 6 N 6.54 -1.08 -3.49 2.98 1.13 -0.05 -4.99 117.38 118.40 1za1 n GLN 6 Ca 0.25 0.99 -0.32 0.00 -1.94 0.00 0.00 57.00 55.98 1za1 n GLN 6 Cb 0.26 -5.13 -0.05 0.00 0.11 0.00 0.00 30.24 25.42 1za1 n GLN 6 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1za1 s LYS 7 N -3.16 3.75 0.63 -1.09 2.20 -0.20 -4.75 119.74 117.11 1za1 s LYS 7 Ca 0.00 0.17 -0.12 0.00 -0.36 0.00 0.00 55.97 55.65 1za1 s LYS 7 Cb 0.00 -2.71 -0.03 0.00 -1.51 0.00 0.00 37.83 33.58 1za1 s LYS 7 CO 0.00 0.36 1.04 -1.01 -0.36 0.00 0.00 175.35 175.38 1za1 s HIS 8 N -1.77 3.38 -0.42 4.03 3.76 -1.26 -4.63 115.29 118.38 1za1 s HIS 8 Ca 0.45 1.38 0.02 0.00 -0.15 0.00 0.00 55.06 56.76 1za1 s HIS 8 Cb -0.11 -2.81 0.15 0.00 1.11 0.00 0.00 32.58 30.91 1za1 s HIS 8 CO 0.22 -0.86 0.27 0.42 -0.85 0.00 0.00 174.74 173.95 1za1 s ILE 9 N -2.98 0.78 -0.25 0.60 1.01 -0.46 -4.96 121.20 114.93 1za1 s ILE 9 Ca 0.57 -2.39 -0.12 0.00 0.00 0.00 0.00 60.65 58.71 1za1 s ILE 9 Cb -0.12 -1.55 -0.11 0.00 0.01 0.00 0.00 42.46 40.69 1za1 s ILE 9 CO 0.49 -1.02 -0.32 -0.38 0.00 0.00 0.00 174.94 173.71 1za1 n ILE 10 N 3.44 1.37 -4.08 2.92 2.08 -1.26 -0.61 119.36 123.22 1za1 n ILE 10 Ca 0.16 -0.36 -0.14 0.00 0.56 0.00 0.00 62.75 62.98 1za1 n ILE 10 Cb 0.39 -1.81 -0.13 0.00 -0.75 0.00 0.00 39.64 37.34 1za1 n ILE 10 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1za1 s SER 11 N -7.20 0.67 0.50 4.38 0.15 -1.26 -4.62 113.70 106.32 1za1 s SER 11 Ca -0.35 -0.35 0.23 0.00 0.70 0.00 0.00 55.95 56.18 1za1 s SER 11 Cb 0.13 0.00 1.30 0.00 -1.71 0.00 0.00 66.02 65.75 1za1 s SER 11 CO 0.44 -0.10 2.05 -0.29 1.20 0.00 0.00 173.24 176.54 1za1 h ILE 12 N 4.73 0.78 0.00 6.45 6.09 -1.93 -1.04 117.51 132.59 1za1 h ILE 12 Ca -0.32 -0.54 0.00 0.00 -1.37 0.00 0.00 64.86 62.63 1za1 h ILE 12 Cb 1.20 1.32 0.00 0.00 0.47 0.00 0.00 36.82 39.81 1za1 h ILE 12 CO 0.45 0.14 0.00 0.78 -3.07 0.00 0.00 178.15 176.44 1za1 h ASN 13 N 0.00 0.00 0.04 2.19 4.21 -1.96 -1.47 115.58 118.59 1za1 h ASN 13 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1za1 h ASN 13 Cb 0.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 1za1 h ASN 13 CO 0.02 0.00 -0.09 0.47 -1.29 0.00 0.00 177.43 176.54 1za1 n ASP 14 N -2.90 1.66 -4.58 5.81 8.00 -0.40 -4.85 116.55 119.29 1za1 n ASP 14 Ca 0.00 -1.44 -0.34 0.00 0.71 0.00 0.00 54.79 53.72 1za1 n ASP 14 Cb 0.24 0.06 -0.11 0.00 -0.02 0.00 0.00 41.12 41.30 1za1 n ASP 14 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1za1 s LEU 15 N -2.15 3.61 0.79 0.64 1.43 -0.55 -5.03 118.68 117.42 1za1 s LEU 15 Ca 0.32 -0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 53.32 1za1 s LEU 15 Cb 0.20 -1.90 0.10 0.00 0.03 0.00 0.00 46.19 44.62 1za1 s LEU 15 CO 0.39 0.16 1.13 -0.94 0.23 0.00 0.00 176.35 177.32 1za1 s SER 16 N 0.44 4.36 0.18 2.29 1.04 -1.26 -4.85 113.70 115.91 1za1 s SER 16 Ca 0.01 0.49 -0.12 0.00 0.48 0.00 0.00 55.95 56.81 1za1 s SER 16 Cb -0.13 -0.96 0.10 0.00 0.10 0.00 0.00 66.02 65.13 1za1 s SER 16 CO 0.01 -1.93 1.79 -0.09 0.98 0.00 0.00 173.24 174.00 1za1 h ARG 17 N -0.95 0.89 -0.52 4.02 2.43 -1.97 -0.18 114.38 118.10 1za1 h ARG 17 Ca -0.45 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 58.60 1za1 h ARG 17 Cb 1.30 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 1za1 h ARG 17 CO 0.57 0.69 0.28 -0.44 -1.51 0.00 0.00 179.97 179.56 1za1 h ASP 18 N 0.87 0.66 0.12 -3.80 3.32 -1.98 -0.93 116.42 114.68 1za1 h ASP 18 Ca 0.22 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1za1 h ASP 18 Cb 0.07 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1za1 h ASP 18 CO -0.03 0.57 -0.19 0.44 -1.72 0.00 0.00 179.24 178.31 1za1 h ASP 19 N 0.69 -0.51 -0.98 6.45 3.32 -1.78 0.24 116.42 123.85 1za1 h ASP 19 Ca 0.18 0.06 0.16 0.00 0.02 0.00 0.00 57.03 57.45 1za1 h ASP 19 Cb 0.07 0.19 -0.10 0.00 0.22 0.00 0.00 39.33 39.71 1za1 h ASP 19 CO -0.03 -0.27 0.59 -0.07 -1.72 0.00 0.00 179.24 177.74 1za1 h LEU 20 N -0.37 0.79 -0.50 1.55 3.38 -0.82 0.50 115.31 119.85 1za1 h LEU 20 Ca 0.02 0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 1za1 h LEU 20 Cb 0.38 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1za1 h LEU 20 CO -0.09 0.33 -0.60 0.78 0.09 0.00 0.00 178.44 178.96 1za1 h ASN 21 N 0.81 0.57 -0.47 -0.43 -0.26 -0.30 -1.43 115.58 114.07 1za1 h ASN 21 Ca 0.54 -0.32 -0.08 0.00 -0.56 0.00 0.00 56.30 55.87 1za1 h ASN 21 Cb 0.73 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.81 1za1 h ASN 21 CO -0.34 1.04 -0.01 0.25 -1.06 0.00 0.00 177.43 177.31 1za1 h LEU 22 N 0.38 0.83 -0.19 1.61 5.85 0.92 0.87 115.31 125.57 1za1 h LEU 22 Ca -0.00 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1za1 h LEU 22 Cb 1.14 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1za1 h LEU 22 CO 0.11 0.94 0.06 0.58 -0.34 0.00 0.00 178.44 179.79 1za1 h VAL 23 N 0.69 1.18 -0.80 1.05 2.07 -0.82 -0.80 116.25 118.82 1za1 h VAL 23 Ca 0.13 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1za1 h VAL 23 Cb 0.52 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1za1 h VAL 23 CO 0.03 0.18 0.35 -0.07 0.02 0.00 0.00 177.57 178.07 1za1 h LEU 24 N 0.14 1.07 -0.48 2.57 3.38 -1.10 0.27 115.31 121.17 1za1 h LEU 24 Ca 0.06 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1za1 h LEU 24 Cb 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1za1 h LEU 24 CO -0.00 0.93 -0.03 0.00 0.09 0.00 0.00 178.44 179.43 1za1 h ALA 25 N 1.23 0.65 -0.85 1.53 0.00 -0.70 -0.88 119.26 120.24 1za1 h ALA 25 Ca 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1za1 h ALA 25 Cb 0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1za1 h ALA 25 CO -0.03 0.48 0.42 1.15 0.00 0.00 0.00 179.25 181.28 1za1 h THR 26 N 0.72 1.26 -0.24 0.00 2.02 -0.69 -2.12 112.91 113.86 1za1 h THR 26 Ca 0.13 -0.70 -0.07 0.00 0.77 0.00 0.00 66.41 66.54 1za1 h THR 26 Cb 0.55 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1za1 h THR 26 CO 0.03 0.30 -0.15 0.00 0.37 0.00 0.00 175.52 176.07 1za1 h ALA 27 N 1.23 1.30 -0.53 6.16 0.00 -0.01 -1.87 119.26 125.53 1za1 h ALA 27 Ca 0.29 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1za1 h ALA 27 Cb 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1za1 h ALA 27 CO -0.04 0.47 -0.07 0.00 0.00 0.00 0.00 179.25 179.61 1za1 h ALA 28 N 1.47 0.73 -0.43 0.00 0.00 -0.67 -1.86 119.26 118.50 1za1 h ALA 28 Ca 0.07 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1za1 h ALA 28 Cb 0.49 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1za1 h ALA 28 CO 0.03 0.61 0.04 0.87 0.00 0.00 0.00 179.25 180.80 1za1 h LYS 29 N 0.86 0.73 -0.29 0.00 1.57 -1.01 -1.77 116.57 116.66 1za1 h LYS 29 Ca 0.14 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 1za1 h LYS 29 Cb 0.62 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1za1 h LYS 29 CO 0.04 0.78 -0.35 -0.07 -0.57 0.00 0.00 179.45 179.29 1za1 h LEU 30 N 0.58 0.68 -0.16 2.94 3.38 -1.28 0.65 115.31 122.10 1za1 h LEU 30 Ca 0.13 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1za1 h LEU 30 Cb 0.43 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1za1 h LEU 30 CO 0.01 0.97 0.09 0.50 0.09 0.00 0.00 178.44 180.10 1za1 h LYS 31 N 0.54 0.21 0.06 1.13 3.64 -1.24 -2.66 116.57 118.26 1za1 h LYS 31 Ca 0.06 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1za1 h LYS 31 Cb 0.85 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1za1 h LYS 31 CO 0.07 0.19 -0.03 0.00 -2.27 0.00 0.00 179.45 177.42 1za1 h ALA 32 N 1.01 -0.09 -3.15 5.00 0.00 -1.07 -3.40 119.26 117.56 1za1 h ALA 32 Ca 0.06 -0.20 -0.62 0.00 0.00 0.00 0.00 54.91 54.15 1za1 h ALA 32 Cb 0.04 0.03 -0.40 0.00 0.00 0.00 0.00 17.79 17.46 1za1 h ALA 32 CO -0.01 -0.35 -0.70 -0.80 0.00 0.00 0.00 179.25 177.39 1za1 s ASN 33 N -5.50 3.92 0.65 0.00 0.01 0.22 -5.09 114.94 109.15 1za1 s ASN 33 Ca -0.15 -2.73 -0.17 0.00 -0.71 0.00 0.00 52.86 49.09 1za1 s ASN 33 Cb 0.02 -1.26 -0.03 0.00 0.41 0.00 0.00 41.25 40.39 1za1 s ASN 33 CO 0.64 -0.26 0.93 -2.65 -1.51 0.00 0.00 177.10 174.25 1za1 n PRO 34 N 3.43 0.73 -3.37 -0.60 -0.02 -1.00 -4.41 135.00 129.75 1za1 n PRO 34 Ca 0.07 0.29 -0.26 0.00 -2.02 0.00 0.00 63.50 61.58 1za1 n PRO 34 Cb 0.34 -2.16 -0.09 0.00 -0.02 0.00 0.00 33.50 31.57 1za1 n PRO 34 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1za1 n GLN 35 N -1.25 0.40 0.00 -0.52 6.02 -1.26 -5.00 117.38 115.77 1za1 n GLN 35 Ca 0.14 -3.26 0.01 0.00 -0.01 0.00 0.00 57.00 53.87 1za1 n GLN 35 Cb 0.48 -1.61 0.03 0.00 1.02 0.00 0.00 30.24 30.16 1za1 n GLN 35 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1za1 n PRO 36 N 2.48 0.00 -0.01 -1.09 -0.04 -1.24 -1.92 135.00 133.18 1za1 n PRO 36 Ca 0.28 0.49 0.02 0.00 -0.04 0.00 0.00 63.50 64.25 1za1 n PRO 36 Cb 0.48 -1.51 0.02 0.00 -0.04 0.00 0.00 33.50 32.46 1za1 n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1za1 n GLU 37 N -1.51 0.00 -0.26 0.54 -0.58 -1.25 -2.23 120.64 115.36 1za1 n GLU 37 Ca 0.00 -0.88 0.06 0.00 -0.42 0.00 0.00 57.16 55.92 1za1 n GLU 37 Cb 0.01 -1.09 0.17 0.00 -0.57 0.00 0.00 31.44 29.97 1za1 n GLU 37 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1za1 h LEU 38 N 0.90 -0.25 -3.54 -4.62 5.85 -1.20 -1.63 115.31 110.80 1za1 h LEU 38 Ca 0.00 0.19 -0.29 0.00 0.84 0.00 0.00 57.88 58.62 1za1 h LEU 38 Cb 0.24 0.31 -0.17 0.00 0.37 0.00 0.00 40.66 41.41 1za1 h LEU 38 CO 0.00 -0.16 0.11 0.18 -0.34 0.00 0.00 178.44 178.23 1za1 n LEU 39 N -5.30 4.92 -4.68 2.25 4.77 0.19 -5.00 117.00 114.14 1za1 n LEU 39 Ca 0.14 -3.79 -0.44 0.00 -0.03 0.00 0.00 56.01 51.89 1za1 n LEU 39 Cb 0.49 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1za1 n LEU 39 CO 0.06 1.25 1.01 1.17 -1.33 0.00 0.00 177.39 179.55 1za1 n LYS 40 N -1.12 2.11 -0.97 3.23 4.81 -0.62 -0.41 118.16 125.21 1za1 n LYS 40 Ca 0.41 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.60 1za1 n LYS 40 Cb 1.19 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.84 1za1 n LYS 40 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1za1 n HIS 41 N 1.60 0.00 -3.48 5.64 8.25 -1.26 -4.99 115.22 120.98 1za1 n HIS 41 Ca 0.10 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.24 1za1 n HIS 41 Cb 0.33 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 31.16 1za1 n HIS 41 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1za1 s LYS 42 N -0.20 3.74 -0.15 -0.41 -0.14 0.45 -4.96 119.74 118.07 1za1 s LYS 42 Ca 0.00 0.16 0.01 0.00 -1.36 0.00 0.00 55.97 54.78 1za1 s LYS 42 Cb 0.00 -2.70 0.02 0.00 -1.68 0.00 0.00 37.83 33.47 1za1 s LYS 42 CO 0.00 0.35 -0.16 0.08 -0.76 0.00 0.00 175.35 174.86 1za1 s VAL 43 N -1.79 1.70 -0.06 3.17 1.01 -1.26 -0.95 120.40 122.23 1za1 s VAL 43 Ca 0.45 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1za1 s VAL 43 Cb -0.11 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1za1 s VAL 43 CO 0.23 0.48 -0.08 -0.63 0.00 0.00 0.00 175.10 175.10 1za1 s ILE 44 N 1.37 3.62 -0.19 2.22 -1.09 0.22 -0.72 121.20 126.63 1za1 s ILE 44 Ca 0.04 -0.53 -0.16 0.00 -2.23 0.00 0.00 60.65 57.77 1za1 s ILE 44 Cb -0.13 -2.48 -0.04 0.00 -1.58 0.00 0.00 42.46 38.23 1za1 s ILE 44 CO -0.10 0.59 0.40 0.00 -1.23 0.00 0.00 174.94 174.59 1za1 s ALA 45 N -0.81 3.55 -0.70 9.38 0.00 -0.80 -0.80 121.76 131.58 1za1 s ALA 45 Ca 0.13 -0.48 -0.07 0.00 0.00 0.00 0.00 51.96 51.54 1za1 s ALA 45 Cb -0.11 -2.61 0.18 0.00 0.00 0.00 0.00 23.12 20.58 1za1 s ALA 45 CO 0.02 -0.22 0.56 0.45 0.00 0.00 0.00 175.76 176.56 1za1 s SER 46 N 0.93 5.78 -0.72 0.00 0.15 0.76 -0.51 113.70 120.08 1za1 s SER 46 Ca 0.20 -2.81 -0.15 0.00 0.70 0.00 0.00 55.95 53.89 1za1 s SER 46 Cb -0.15 -1.98 0.18 0.00 -1.71 0.00 0.00 66.02 62.37 1za1 s SER 46 CO 0.08 -0.44 0.68 0.00 1.20 0.00 0.00 173.24 174.76 1za1 s PHE 48 N 0.77 4.06 0.47 0.00 0.40 -0.05 -1.99 117.98 121.63 1za1 s PHE 48 Ca 0.13 -2.40 0.13 0.00 -0.60 0.00 0.00 56.93 54.18 1za1 s PHE 48 Cb -0.17 -3.82 1.08 0.00 0.51 0.00 0.00 43.02 40.62 1za1 s PHE 48 CO -0.04 -0.96 2.08 0.74 0.70 0.00 0.00 175.22 177.73 1za1 h PHE 49 N 7.13 0.16 -3.26 0.36 0.04 -1.54 -1.02 116.94 118.81 1za1 h PHE 49 Ca 0.15 -0.00 -0.67 0.00 2.80 0.00 0.00 57.97 60.25 1za1 h PHE 49 Cb 0.94 -0.05 -0.31 0.00 2.20 0.00 0.00 35.95 38.73 1za1 h PHE 49 CO 0.88 0.14 -0.80 -2.00 -0.60 0.00 0.00 178.31 175.92 1za1 s GLU 50 N -5.09 3.20 0.53 1.51 2.12 -1.11 -1.69 118.70 118.16 1za1 s GLU 50 Ca -0.06 -0.75 -0.21 0.00 0.36 0.00 0.00 54.97 54.31 1za1 s GLU 50 Cb 0.17 -2.66 -0.06 0.00 0.26 0.00 0.00 34.13 31.85 1za1 s GLU 50 CO 0.70 -0.04 1.21 0.00 -0.54 0.00 0.00 175.26 176.59 1za1 s ALA 51 N 0.95 2.78 -0.41 6.30 0.00 -1.26 -4.61 121.76 125.52 1za1 s ALA 51 Ca -0.03 1.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.95 1za1 s ALA 51 Cb -0.15 -3.44 0.20 0.00 0.00 0.00 0.00 23.12 19.74 1za1 s ALA 51 CO -0.02 -0.96 0.95 0.45 0.00 0.00 0.00 175.76 176.18 1za1 s SER 52 N -1.39 -0.74 0.22 0.00 0.15 -1.26 -4.92 113.70 105.76 1za1 s SER 52 Ca 0.70 -0.87 -0.10 0.00 0.70 0.00 0.00 55.95 56.38 1za1 s SER 52 Cb -0.31 0.97 0.34 0.00 -1.71 0.00 0.00 66.02 65.31 1za1 s SER 52 CO 0.36 -0.03 1.65 0.74 1.20 0.00 0.00 173.24 177.16 1za1 h THR 53 N 3.55 0.43 -0.12 6.45 2.02 -1.98 0.40 112.91 123.66 1za1 h THR 53 Ca 0.02 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1za1 h THR 53 Cb 1.15 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1za1 h THR 53 CO -0.06 0.02 0.07 -0.09 0.37 0.00 0.00 175.52 175.82 1za1 h ARG 54 N 0.11 0.16 -0.31 6.66 2.43 -1.99 -1.78 114.38 119.66 1za1 h ARG 54 Ca 0.35 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.37 1za1 h ARG 54 Cb 0.58 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1za1 h ARG 54 CO -0.58 0.18 -0.36 1.15 -1.51 0.00 0.00 179.97 178.85 1za1 h THR 55 N 0.10 1.29 -0.18 0.20 2.02 -1.72 -2.06 112.91 112.56 1za1 h THR 55 Ca 0.04 -1.51 -0.03 0.00 0.77 0.00 0.00 66.41 65.68 1za1 h THR 55 Cb 0.06 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1za1 h THR 55 CO -0.01 0.49 0.00 -0.09 0.37 0.00 0.00 175.52 176.28 1za1 h ARG 56 N 0.58 0.31 -0.34 6.66 2.43 -0.20 -2.03 114.38 121.79 1za1 h ARG 56 Ca 0.06 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1za1 h ARG 56 Cb 0.88 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1za1 h ARG 56 CO 0.08 0.52 0.17 -0.07 -1.51 0.00 0.00 179.97 179.15 1za1 h LEU 57 N 0.06 0.44 0.07 3.80 3.38 -1.33 0.15 115.31 121.89 1za1 h LEU 57 Ca 0.05 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1za1 h LEU 57 Cb 0.38 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1za1 h LEU 57 CO 0.01 0.44 -0.40 -1.28 0.09 0.00 0.00 178.44 177.29 1za1 h SER 58 N 0.41 -1.20 -0.75 -0.43 0.87 -1.33 -0.06 113.55 111.07 1za1 h SER 58 Ca 0.12 0.14 0.05 0.00 -1.23 0.00 0.00 61.79 60.87 1za1 h SER 58 Cb 0.11 0.46 -0.06 0.00 -0.44 0.00 0.00 62.40 62.48 1za1 h SER 58 CO -0.02 -0.46 0.45 -0.26 -0.53 0.00 0.00 176.83 176.01 1za1 h PHE 59 N -0.60 0.83 -0.11 2.24 0.04 -1.04 -1.65 116.94 116.65 1za1 h PHE 59 Ca 0.03 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.70 1za1 h PHE 59 Cb 0.65 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 1za1 h PHE 59 CO -0.38 0.42 -0.51 0.93 -0.60 0.00 0.00 178.31 178.18 1za1 h GLU 60 N 0.83 0.30 -0.51 1.51 5.08 -0.43 -1.91 114.58 119.46 1za1 h GLU 60 Ca 0.32 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1za1 h GLU 60 Cb 0.15 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1za1 h GLU 60 CO -0.16 0.74 0.21 1.15 -1.00 0.00 0.00 179.01 179.95 1za1 h THR 61 N 0.24 1.21 -0.38 1.13 2.02 -0.43 -1.11 112.91 115.60 1za1 h THR 61 Ca 0.01 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1za1 h THR 61 Cb 0.98 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1za1 h THR 61 CO 0.08 0.25 0.17 0.28 0.37 0.00 0.00 175.52 176.67 1za1 h SER 62 N 0.69 0.47 -0.23 4.18 0.02 -0.82 0.24 113.55 118.09 1za1 h SER 62 Ca 0.17 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1za1 h SER 62 Cb 0.19 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1za1 h SER 62 CO -0.01 0.41 0.04 0.24 -1.14 0.00 0.00 176.83 176.37 1za1 h MET 63 N 0.53 0.38 -0.47 3.45 2.07 -0.77 -3.08 114.93 117.03 1za1 h MET 63 Ca 0.13 -0.10 -0.13 0.00 -2.07 0.00 0.00 59.70 57.54 1za1 h MET 63 Cb 0.07 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 29.74 1za1 h MET 63 CO -0.02 0.51 -0.21 0.45 1.07 0.00 0.00 176.91 178.72 1za1 h HIS 64 N 0.19 1.09 0.00 -0.22 3.86 -0.37 -0.84 115.15 118.86 1za1 h HIS 64 Ca 0.07 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1za1 h HIS 64 Cb 0.31 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1za1 h HIS 64 CO 0.02 1.07 0.00 0.54 0.86 0.00 0.00 177.93 180.41 1za1 n ARG 65 N -4.11 0.15 -0.03 2.45 5.12 0.77 0.93 116.66 121.94 1za1 n ARG 65 Ca 0.00 0.63 0.09 0.00 -1.93 0.00 0.00 57.85 56.64 1za1 n ARG 65 Cb 0.45 -1.97 0.09 0.00 -1.16 0.00 0.00 32.46 29.87 1za1 n ARG 65 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1za1 n LEU 66 N -2.28 2.62 0.00 0.55 4.77 -0.95 -3.61 117.00 118.11 1za1 n LEU 66 Ca -0.01 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 1za1 n LEU 66 Cb 0.05 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1za1 n LEU 66 CO 0.11 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1za1 n GLY 67 N 1.04 0.49 3.90 -0.72 0.00 0.26 -0.64 105.19 109.52 1za1 n GLY 67 Ca 0.11 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 1za1 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1za1 s ALA 68 N -2.00 3.26 0.28 4.61 0.00 -0.36 -3.91 121.76 123.63 1za1 s ALA 68 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.56 1za1 s ALA 68 Cb 0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1za1 s ALA 68 CO 0.00 -0.58 0.48 -1.12 0.00 0.00 0.00 175.76 174.54 1za1 s SER 69 N -4.18 6.35 -0.02 0.00 0.01 -0.12 -4.28 113.70 111.46 1za1 s SER 69 Ca 0.51 0.45 0.02 0.00 1.31 0.00 0.00 55.95 58.24 1za1 s SER 69 Cb -0.11 -2.03 0.01 0.00 0.21 0.00 0.00 66.02 64.10 1za1 s SER 69 CO 0.48 -0.17 -0.07 -0.69 0.41 0.00 0.00 173.24 173.20 1za1 s VAL 70 N -2.09 0.63 0.08 3.43 1.01 -1.26 -0.61 120.40 121.59 1za1 s VAL 70 Ca 0.40 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1za1 s VAL 70 Cb -0.10 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1za1 s VAL 70 CO 0.32 0.21 -0.13 0.68 0.00 0.00 0.00 175.10 176.18 1za1 s VAL 71 N 0.29 1.02 -1.39 2.92 -7.23 0.02 -4.95 120.40 111.09 1za1 s VAL 71 Ca -0.04 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1za1 s VAL 71 Cb -0.09 -1.10 0.00 0.00 0.56 0.00 0.00 36.38 35.76 1za1 s VAL 71 CO 0.00 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 1za1 n GLY 72 N 1.12 -0.78 3.56 2.32 0.00 -1.26 -0.17 105.19 109.97 1za1 n GLY 72 Ca -0.20 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 1za1 n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1za1 s PHE 73 N -3.00 -0.39 0.46 1.61 -0.12 -0.96 -4.97 117.98 110.62 1za1 s PHE 73 Ca 0.00 0.14 0.02 0.00 -0.05 0.00 0.00 56.93 57.04 1za1 s PHE 73 Cb 0.00 0.59 -0.02 0.00 -0.63 0.00 0.00 43.02 42.96 1za1 s PHE 73 CO 0.00 -0.85 0.06 -1.12 -0.05 0.00 0.00 175.22 173.26 1za1 s SER 74 N -2.74 3.54 0.00 1.98 0.01 -1.26 -0.87 113.70 114.36 1za1 s SER 74 Ca 0.05 -1.66 0.00 0.00 1.31 0.00 0.00 55.95 55.65 1za1 s SER 74 Cb -0.02 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1za1 s SER 74 CO -0.07 -0.88 0.00 -0.67 0.41 0.00 0.00 173.24 172.03 1za1 n ASP 75 N -1.29 0.00 -4.12 2.44 2.03 -0.38 -4.79 116.55 110.44 1za1 n ASP 75 Ca -0.13 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.74 1za1 n ASP 75 Cb 0.66 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.07 1za1 n ASP 75 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1za1 n SER 76 N 0.77 5.92 0.00 1.67 7.64 -0.68 -4.75 113.62 124.19 1za1 n SER 76 Ca 0.00 -3.24 0.04 0.00 1.01 0.00 0.00 58.87 56.69 1za1 n SER 76 Cb 0.00 -1.35 0.23 0.00 -1.01 0.00 0.00 64.21 62.08 1za1 n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1za1 n ALA 77 N 2.33 1.69 -0.58 -0.43 0.00 -1.26 -4.50 120.51 117.76 1za1 n ALA 77 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1za1 n ALA 77 Cb 0.36 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1za1 n ALA 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1za1 n ASN 78 N -1.14 0.00 -2.00 0.00 4.05 -1.26 -5.07 115.26 109.83 1za1 n ASN 78 Ca 0.05 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.08 1za1 n ASN 78 Cb 0.05 0.15 0.00 0.00 1.23 0.00 0.00 39.78 41.21 1za1 n ASN 78 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1za1 n THR 79 N -1.43 -9.20 0.11 -0.44 -1.04 -1.26 -3.44 114.28 97.57 1za1 n THR 79 Ca 0.00 2.95 -0.08 0.00 -2.04 0.00 0.00 64.05 64.87 1za1 n THR 79 Cb 0.00 -4.29 0.05 0.00 -1.82 0.00 0.00 70.33 64.27 1za1 n THR 79 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1za1 n SER 80 N 1.23 3.72 -2.98 8.00 2.88 -1.26 -3.89 113.62 121.32 1za1 n SER 80 Ca 0.00 -2.57 0.03 0.00 -1.33 0.00 0.00 58.87 54.99 1za1 n SER 80 Cb 0.00 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1za1 n SER 80 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1za1 s LEU 81 N -1.09 -0.70 0.00 2.46 2.34 -1.26 -4.65 118.68 115.78 1za1 s LEU 81 Ca 0.19 -0.21 0.00 0.00 0.06 0.00 0.00 54.13 54.17 1za1 s LEU 81 Cb 0.16 1.06 0.00 0.00 -0.56 0.00 0.00 46.19 46.85 1za1 s LEU 81 CO 0.03 -0.09 0.00 0.61 -1.06 0.00 0.00 176.35 175.83 1za1 n GLY 82 N 4.32 1.70 1.26 -3.48 0.00 -1.04 -4.83 105.19 103.13 1za1 n GLY 82 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1za1 n GLY 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1za1 n LYS 83 N -0.35 0.00 0.12 1.61 0.00 -1.16 -4.60 118.16 113.78 1za1 n LYS 83 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.34 1za1 n LYS 83 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 1za1 n LYS 83 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1za1 h LYS 84 N 0.00 0.00 0.00 1.64 1.79 -1.67 -3.46 116.57 114.87 1za1 h LYS 84 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1za1 h LYS 84 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1za1 h LYS 84 CO 0.00 0.42 0.00 0.41 -1.08 0.00 0.00 179.45 179.20 1za1 n GLY 85 N 1.24 -0.22 3.75 3.86 0.00 -1.26 -5.10 105.19 107.46 1za1 n GLY 85 Ca 0.00 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1za1 n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1za1 s GLU 86 N -0.48 3.23 0.71 1.61 2.12 -1.26 -4.91 118.70 119.72 1za1 s GLU 86 Ca 0.00 2.29 -0.11 0.00 0.36 0.00 0.00 54.97 57.51 1za1 s GLU 86 Cb 0.00 -2.33 0.02 0.00 0.26 0.00 0.00 34.13 32.08 1za1 s GLU 86 CO 0.00 -1.14 1.07 0.95 -0.54 0.00 0.00 175.26 175.60 1za1 s THR 87 N -1.27 3.74 0.23 -1.70 -4.23 -1.26 -2.50 115.64 108.65 1za1 s THR 87 Ca 0.70 0.59 -0.07 0.00 -1.18 0.00 0.00 61.69 61.73 1za1 s THR 87 Cb -0.42 -3.22 0.21 0.00 1.34 0.00 0.00 72.50 70.42 1za1 s THR 87 CO 0.50 -0.71 1.88 0.25 -0.54 0.00 0.00 174.62 176.00 1za1 h LEU 88 N -0.74 1.09 -0.64 4.79 5.85 -1.92 -2.26 115.31 121.48 1za1 h LEU 88 Ca -0.44 -0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.34 1za1 h LEU 88 Cb 1.22 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 41.88 1za1 h LEU 88 CO 0.55 0.83 0.09 0.00 -0.34 0.00 0.00 178.44 179.57 1za1 h ALA 89 N 1.30 0.73 -0.15 1.25 0.00 -1.93 -0.16 119.26 120.30 1za1 h ALA 89 Ca 0.32 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 55.25 1za1 h ALA 89 Cb -0.05 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1za1 h ALA 89 CO -0.06 -0.35 -0.54 -0.44 0.00 0.00 0.00 179.25 177.86 1za1 h ASP 90 N 0.21 0.50 0.12 0.00 3.32 -1.83 -0.82 116.42 117.92 1za1 h ASP 90 Ca 0.34 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1za1 h ASP 90 Cb 0.55 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 1za1 h ASP 90 CO -0.48 0.95 -0.08 0.74 -1.72 0.00 0.00 179.24 178.65 1za1 h THR 91 N 0.35 0.83 -0.45 0.35 2.02 -0.74 -1.00 112.91 114.28 1za1 h THR 91 Ca 0.01 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 1za1 h THR 91 Cb 1.06 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1za1 h THR 91 CO 0.10 0.00 0.14 0.40 0.37 0.00 0.00 175.52 176.52 1za1 h ILE 92 N -0.20 1.22 -0.68 3.11 5.03 -0.98 0.29 117.51 125.30 1za1 h ILE 92 Ca -0.01 -0.74 0.13 0.00 -0.12 0.00 0.00 64.86 64.11 1za1 h ILE 92 Cb 0.17 0.87 -0.09 0.00 -3.03 0.00 0.00 36.82 34.73 1za1 h ILE 92 CO 0.01 0.27 0.22 0.28 -0.68 0.00 0.00 178.15 178.25 1za1 h SER 93 N 0.58 0.16 0.37 1.72 0.02 -0.93 0.45 113.55 115.92 1za1 h SER 93 Ca 0.14 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1za1 h SER 93 Cb 0.27 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1za1 h SER 93 CO -0.00 0.07 -0.18 0.58 -1.14 0.00 0.00 176.83 176.16 1za1 h VAL 94 N 0.37 0.55 -0.61 2.27 2.07 -0.92 -3.26 116.25 116.71 1za1 h VAL 94 Ca 0.37 -0.59 0.12 0.00 0.82 0.00 0.00 66.70 67.41 1za1 h VAL 94 Cb 0.54 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1za1 h VAL 94 CO -0.40 0.10 0.41 0.40 0.02 0.00 0.00 177.57 178.10 1za1 h ILE 95 N -0.87 0.85 0.00 4.57 1.08 -0.22 0.62 117.51 123.54 1za1 h ILE 95 Ca -0.05 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1za1 h ILE 95 Cb 0.54 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 1za1 h ILE 95 CO 0.08 0.06 0.00 -1.54 -0.69 0.00 0.00 178.15 176.06 1za1 n SER 96 N -4.46 0.18 0.03 1.72 3.41 0.15 -1.85 113.62 112.79 1za1 n SER 96 Ca 0.10 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1za1 n SER 96 Cb 0.43 -0.58 0.31 0.00 -0.26 0.00 0.00 64.21 64.11 1za1 n SER 96 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1za1 n THR 97 N -1.69 0.17 -0.12 6.66 -2.24 0.21 -4.39 114.28 112.89 1za1 n THR 97 Ca 0.04 -0.12 -0.18 0.00 -2.27 0.00 0.00 64.05 61.52 1za1 n THR 97 Cb 0.22 -0.09 -0.12 0.00 -2.10 0.00 0.00 70.33 68.23 1za1 n THR 97 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1za1 n TYR 98 N -1.78 0.13 -3.97 4.78 4.01 -0.77 -5.06 117.16 114.50 1za1 n TYR 98 Ca 0.05 0.03 -0.24 0.00 -0.16 0.00 0.00 57.90 57.57 1za1 n TYR 98 Cb 0.38 -1.02 -0.05 0.00 -0.31 0.00 0.00 39.34 38.34 1za1 n TYR 98 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1za1 s VAL 99 N -2.52 2.22 -0.36 -0.72 -7.23 -1.10 -4.98 120.40 105.71 1za1 s VAL 99 Ca -0.34 -1.58 0.23 0.00 -1.81 0.00 0.00 61.98 58.48 1za1 s VAL 99 Cb 0.09 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 1za1 s VAL 99 CO 0.62 0.00 1.07 0.47 -0.31 0.00 0.00 175.10 176.95 1za1 n ASP 100 N -1.42 0.75 -3.49 4.85 8.00 0.10 -4.88 116.55 120.45 1za1 n ASP 100 Ca -0.01 0.20 -0.10 0.00 0.71 0.00 0.00 54.79 55.59 1za1 n ASP 100 Cb 0.64 0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 42.22 1za1 n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1za1 s ALA 101 N -3.31 -1.78 -0.09 2.24 0.00 -1.25 -4.21 121.76 113.37 1za1 s ALA 101 Ca 0.01 0.97 0.02 0.00 0.00 0.00 0.00 51.96 52.96 1za1 s ALA 101 Cb 0.11 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1za1 s ALA 101 CO 0.78 -0.65 -0.14 0.42 0.00 0.00 0.00 175.76 176.18 1za1 s ILE 102 N -2.94 1.31 -0.18 0.00 1.01 -0.33 -1.91 121.20 118.16 1za1 s ILE 102 Ca 0.02 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.06 1za1 s ILE 102 Cb -0.01 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 1za1 s ILE 102 CO -0.08 0.40 0.01 -0.69 0.00 0.00 0.00 174.94 174.59 1za1 s VAL 103 N 0.83 4.28 -0.03 2.92 1.01 0.34 -0.45 120.40 129.29 1za1 s VAL 103 Ca -0.11 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 1za1 s VAL 103 Cb -0.15 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.32 1za1 s VAL 103 CO 0.02 0.46 0.14 0.00 0.00 0.00 0.00 175.10 175.72 1za1 s MET 104 N 0.55 0.33 -0.04 2.72 0.00 -0.63 -0.31 119.30 121.93 1za1 s MET 104 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 55.69 55.64 1za1 s MET 104 Cb -0.14 0.14 -0.01 0.00 0.00 0.00 0.00 34.83 34.83 1za1 s MET 104 CO 0.02 -0.07 -0.20 0.50 0.00 0.00 0.00 175.02 175.27 1za1 s ARG 105 N -0.67 1.88 0.02 3.16 3.52 -0.84 0.23 118.95 126.25 1za1 s ARG 105 Ca -0.08 -0.71 -0.09 0.00 -0.13 0.00 0.00 55.73 54.73 1za1 s ARG 105 Cb -0.04 -1.68 0.00 0.00 -1.56 0.00 0.00 34.95 31.67 1za1 s ARG 105 CO 0.01 0.34 0.18 -1.58 -0.81 0.00 0.00 175.30 173.43 1za1 s HIS 106 N -0.19 0.05 -0.88 5.12 2.46 0.20 -1.52 115.29 120.54 1za1 s HIS 106 Ca 0.00 -0.21 0.28 0.00 0.47 0.00 0.00 55.06 55.60 1za1 s HIS 106 Cb -0.11 -0.04 1.02 0.00 -0.13 0.00 0.00 32.58 33.33 1za1 s HIS 106 CO 0.01 -0.38 1.84 -0.35 -2.47 0.00 0.00 174.74 173.40 1za1 n PRO 107 N 0.98 0.12 -4.06 2.88 -0.04 -1.26 -1.67 135.00 131.95 1za1 n PRO 107 Ca -0.20 0.10 -0.35 0.00 -0.04 0.00 0.00 63.50 63.00 1za1 n PRO 107 Cb 0.58 -1.64 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 1za1 n PRO 107 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1za1 s GLN 108 N -3.05 3.67 0.32 0.54 -0.21 -1.26 -3.76 119.66 115.92 1za1 s GLN 108 Ca 0.12 -0.32 -0.29 0.00 0.02 0.00 0.00 55.36 54.89 1za1 s GLN 108 Cb 0.16 -3.12 -0.11 0.00 1.00 0.00 0.00 33.01 30.94 1za1 s GLN 108 CO 0.57 0.46 1.57 -1.21 -2.12 0.00 0.00 175.29 174.56 1za1 s GLU 109 N -0.16 4.10 0.00 2.91 8.01 -1.25 -2.40 118.70 129.91 1za1 s GLU 109 Ca 0.07 2.60 0.00 0.00 0.01 0.00 0.00 54.97 57.66 1za1 s GLU 109 Cb -0.12 -3.00 0.00 0.00 -4.31 0.00 0.00 34.13 26.70 1za1 s GLU 109 CO 0.01 -0.62 0.00 0.41 0.01 0.00 0.00 175.26 175.07 1za1 n GLY 110 N 1.59 1.26 0.24 -1.39 0.00 -1.26 -4.96 105.19 100.66 1za1 n GLY 110 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 1za1 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1za1 h ALA 111 N 0.00 0.79 -0.41 4.61 0.00 -1.81 -0.97 119.26 121.47 1za1 h ALA 111 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1za1 h ALA 111 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1za1 h ALA 111 CO 0.00 -0.17 -0.23 0.00 0.00 0.00 0.00 179.25 178.85 1za1 h ALA 112 N 1.41 0.81 -0.61 0.00 0.00 -1.92 -1.81 119.26 117.14 1za1 h ALA 112 Ca 0.30 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1za1 h ALA 112 Cb 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1za1 h ALA 112 CO -0.29 0.65 0.08 -0.09 0.00 0.00 0.00 179.25 179.60 1za1 h ARG 113 N 0.73 1.00 -0.68 0.00 9.65 -1.82 -2.39 114.38 120.87 1za1 h ARG 113 Ca 0.10 -0.26 -0.05 0.00 -1.10 0.00 0.00 59.98 58.66 1za1 h ARG 113 Cb 0.77 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.20 1za1 h ARG 113 CO 0.06 0.93 0.22 1.25 2.80 0.00 0.00 179.97 185.23 1za1 h LEU 114 N 0.93 0.99 -0.82 3.80 6.46 -0.95 -2.94 115.31 122.78 1za1 h LEU 114 Ca 0.19 -0.20 0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1za1 h LEU 114 Cb 0.43 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 1za1 h LEU 114 CO 0.01 0.93 0.55 0.00 -0.62 0.00 0.00 178.44 179.31 1za1 h ALA 115 N 1.10 1.05 -1.03 1.25 0.00 -1.05 -1.52 119.26 119.05 1za1 h ALA 115 Ca 0.22 -0.06 0.26 0.00 0.00 0.00 0.00 54.91 55.34 1za1 h ALA 115 Cb 0.29 -0.33 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 1za1 h ALA 115 CO -0.01 0.45 0.68 1.15 0.00 0.00 0.00 179.25 181.52 1za1 h THR 116 N 1.12 0.54 0.00 0.00 2.02 -1.25 0.23 112.91 115.56 1za1 h THR 116 Ca 0.30 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.36 1za1 h THR 116 Cb -0.13 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1za1 h THR 116 CO -0.07 0.06 0.00 -0.62 0.37 0.00 0.00 175.52 175.27 1za1 n GLU 117 N -4.55 0.76 0.00 6.66 1.02 -0.57 -3.46 120.64 120.50 1za1 n GLU 117 Ca 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1za1 n GLU 117 Cb 0.89 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 1za1 n GLU 117 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1za1 n PHE 118 N -1.12 0.00 1.26 -0.32 3.72 0.63 -4.78 117.46 116.85 1za1 n PHE 118 Ca 0.20 -0.04 0.13 0.00 -0.05 0.00 0.00 57.45 57.68 1za1 n PHE 118 Cb 0.16 -0.00 0.37 0.00 -0.94 0.00 0.00 39.48 39.07 1za1 n PHE 118 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1za1 n SER 119 N -0.04 2.04 0.00 4.37 3.41 -0.18 -4.02 113.62 119.19 1za1 n SER 119 Ca 0.00 -1.69 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 1za1 n SER 119 Cb 0.18 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1za1 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1za1 n GLY 120 N 1.24 3.77 0.11 5.00 0.00 -1.26 -1.09 105.19 112.95 1za1 n GLY 120 Ca 0.17 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.36 1za1 n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1za1 n ASN 121 N 6.19 0.32 -4.60 1.61 6.94 -1.26 -4.79 115.26 119.67 1za1 n ASN 121 Ca 0.00 -1.35 -0.41 0.00 -0.02 0.00 0.00 54.58 52.80 1za1 n ASN 121 Cb 0.00 -0.01 -0.06 0.00 -2.36 0.00 0.00 39.78 37.35 1za1 n ASN 121 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1za1 s VAL 122 N -1.97 4.90 0.48 3.53 1.01 -0.25 -5.03 120.40 123.07 1za1 s VAL 122 Ca 0.35 0.93 -0.23 0.00 0.00 0.00 0.00 61.98 63.02 1za1 s VAL 122 Cb 0.16 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 1za1 s VAL 122 CO 0.27 -0.17 1.32 -2.84 0.00 0.00 0.00 175.10 173.68 1za1 s PRO 123 N 2.69 3.53 -0.10 2.72 0.02 -1.26 -4.75 135.00 137.85 1za1 s PRO 123 Ca 0.27 2.16 0.03 0.00 0.02 0.00 0.00 61.00 63.47 1za1 s PRO 123 Cb -0.15 -2.46 0.01 0.00 0.02 0.00 0.00 34.50 31.92 1za1 s PRO 123 CO 0.12 -0.85 -0.19 0.54 -0.33 0.00 0.00 177.00 176.29 1za1 s VAL 124 N -1.33 1.74 -0.19 3.83 0.11 -1.26 -1.19 120.40 122.11 1za1 s VAL 124 Ca 0.65 -0.81 -0.05 0.00 -2.93 0.00 0.00 61.98 58.83 1za1 s VAL 124 Cb -0.38 -1.54 -0.03 0.00 -1.53 0.00 0.00 36.38 32.90 1za1 s VAL 124 CO 0.47 0.49 0.01 -0.76 -3.33 0.00 0.00 175.10 171.98 1za1 s LEU 125 N 0.66 3.40 -0.38 2.54 1.02 0.40 -1.36 118.68 124.96 1za1 s LEU 125 Ca -0.13 -0.12 -0.29 0.00 0.02 0.00 0.00 54.13 53.61 1za1 s LEU 125 Cb -0.16 -1.85 0.02 0.00 0.02 0.00 0.00 46.19 44.21 1za1 s LEU 125 CO 0.03 0.11 1.14 0.21 0.02 0.00 0.00 176.35 177.86 1za1 s ASN 126 N 0.74 6.77 0.00 2.29 2.47 0.22 -1.60 114.94 125.84 1za1 s ASN 126 Ca 0.01 0.86 0.21 0.00 0.42 0.00 0.00 52.86 54.36 1za1 s ASN 126 Cb -0.14 -2.55 0.54 0.00 -1.45 0.00 0.00 41.25 37.66 1za1 s ASN 126 CO 0.02 -1.06 1.45 0.00 -3.72 0.00 0.00 177.10 173.79 1za1 n ALA 127 N 7.39 2.45 0.00 1.71 0.00 0.14 -4.19 120.51 128.00 1za1 n ALA 127 Ca 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1za1 n ALA 127 Cb 0.48 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1za1 n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1za1 n GLY 128 N 1.35 3.73 2.65 0.00 0.00 -1.23 -4.72 105.19 106.97 1za1 n GLY 128 Ca 0.18 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 1za1 n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1za1 s ASP 129 N 0.00 3.50 1.11 1.61 -4.77 -0.90 -0.63 116.67 116.59 1za1 s ASP 129 Ca 0.00 -2.46 0.00 0.00 -3.30 0.00 0.00 52.55 46.79 1za1 s ASP 129 Cb 0.00 -0.86 0.00 0.00 -1.09 0.00 0.00 42.92 40.97 1za1 s ASP 129 CO 0.00 -0.29 0.00 0.61 0.70 0.00 0.00 175.17 176.19 1za1 n GLY 130 N 3.75 3.00 1.81 2.12 0.00 -0.67 -1.55 105.19 113.65 1za1 n GLY 130 Ca 0.09 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 1za1 n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1za1 n SER 131 N 1.71 4.10 0.00 1.61 3.41 -1.26 -4.71 113.62 118.48 1za1 n SER 131 Ca 0.00 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 1za1 n SER 131 Cb 0.00 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1za1 n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1za1 n ASN 132 N -0.23 0.00 -4.61 4.04 5.15 -0.59 -4.74 115.26 114.27 1za1 n ASN 132 Ca 0.36 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 54.11 1za1 n ASN 132 Cb 1.24 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 40.41 1za1 n ASN 132 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1za1 s GLN 133 N 0.05 2.13 -0.44 1.20 -1.52 -1.26 -4.87 119.66 114.95 1za1 s GLN 133 Ca 0.00 -1.57 0.07 0.00 -1.95 0.00 0.00 55.36 51.91 1za1 s GLN 133 Cb 0.00 -2.03 0.33 0.00 -0.22 0.00 0.00 33.01 31.09 1za1 s GLN 133 CO 0.00 0.29 1.08 1.58 -0.25 0.00 0.00 175.29 178.00 1za1 n HIS 134 N -0.87 -2.43 -0.36 0.91 -0.00 -1.26 -2.13 115.22 109.09 1za1 n HIS 134 Ca -0.05 -2.34 0.03 0.00 0.46 0.00 0.00 57.72 55.82 1za1 n HIS 134 Cb 0.60 1.36 0.10 0.00 -0.12 0.00 0.00 29.99 31.93 1za1 n HIS 134 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1za1 h PRO 135 N 2.94 -0.00 0.00 1.57 0.11 -1.82 -1.27 132.00 133.52 1za1 h PRO 135 Ca -0.09 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.97 1za1 h PRO 135 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1za1 h PRO 135 CO 0.17 -0.00 -0.25 1.79 -0.21 0.00 0.00 178.00 179.50 1za1 h THR 136 N -0.00 0.80 -0.38 -1.15 1.35 -1.95 -0.87 112.91 110.72 1za1 h THR 136 Ca 0.42 -1.01 -0.15 0.00 -0.55 0.00 0.00 66.41 65.13 1za1 h THR 136 Cb 0.67 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 1za1 h THR 136 CO -1.00 0.24 -0.34 -0.61 -0.25 0.00 0.00 175.52 173.57 1za1 h GLN 137 N 0.00 0.88 -0.11 4.72 5.75 -1.60 -1.97 115.11 122.78 1za1 h GLN 137 Ca -0.00 -0.43 -0.15 0.00 -0.15 0.00 0.00 58.65 57.92 1za1 h GLN 137 Cb 0.59 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 1za1 h GLN 137 CO 0.03 1.08 -0.58 1.15 -2.65 0.00 0.00 178.83 177.86 1za1 h THR 138 N 0.73 1.36 -0.17 2.39 2.02 -1.17 -0.50 112.91 117.56 1za1 h THR 138 Ca 0.07 -1.90 -0.09 0.00 0.77 0.00 0.00 66.41 65.26 1za1 h THR 138 Cb 0.91 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 1za1 h THR 138 CO 0.08 0.57 -0.30 -0.07 0.37 0.00 0.00 175.52 176.17 1za1 h LEU 139 N 0.26 0.34 -0.46 2.58 3.38 -1.03 -0.30 115.31 120.08 1za1 h LEU 139 Ca -0.00 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.68 1za1 h LEU 139 Cb 1.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1za1 h LEU 139 CO 0.10 0.63 -0.71 0.25 0.09 0.00 0.00 178.44 178.80 1za1 h LEU 140 N 0.29 0.38 -0.11 1.67 6.46 -1.14 -1.11 115.31 121.75 1za1 h LEU 140 Ca 0.04 -0.25 -0.04 0.00 -0.12 0.00 0.00 57.88 57.52 1za1 h LEU 140 Cb 0.68 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1za1 h LEU 140 CO 0.05 0.97 -0.08 0.44 -0.62 0.00 0.00 178.44 179.20 1za1 h ASP 141 N 0.22 0.26 -0.34 1.25 3.32 -0.43 -1.61 116.42 119.08 1za1 h ASP 141 Ca -0.02 -0.45 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 1za1 h ASP 141 Cb 1.27 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1za1 h ASP 141 CO 0.12 0.65 0.09 -0.07 -1.72 0.00 0.00 179.24 178.31 1za1 h LEU 142 N -0.14 0.51 -1.02 1.55 3.38 -1.09 0.39 115.31 118.90 1za1 h LEU 142 Ca 0.02 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.81 1za1 h LEU 142 Cb 0.57 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1za1 h LEU 142 CO 0.02 0.60 0.65 0.15 0.09 0.00 0.00 178.44 179.96 1za1 h PHE 143 N 0.40 1.22 -0.38 1.13 3.57 -1.25 0.60 116.94 122.23 1za1 h PHE 143 Ca 0.11 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 1za1 h PHE 143 Cb 0.28 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1za1 h PHE 143 CO 0.01 0.70 -0.15 1.15 -2.23 0.00 0.00 178.31 177.80 1za1 h THR 144 N 1.26 1.28 -0.16 4.41 2.02 -0.52 -0.89 112.91 120.31 1za1 h THR 144 Ca 0.40 -1.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.30 1za1 h THR 144 Cb 0.02 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1za1 h THR 144 CO -0.13 0.42 0.03 0.40 0.37 0.00 0.00 175.52 176.61 1za1 h ILE 145 N 0.58 1.21 -0.90 3.11 2.04 0.90 -2.67 117.51 121.78 1za1 h ILE 145 Ca 0.09 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.32 1za1 h ILE 145 Cb 0.69 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 38.07 1za1 h ILE 145 CO 0.05 0.20 0.58 -0.61 0.00 0.00 0.00 178.15 178.37 1za1 h GLN 146 N 0.05 1.07 -0.32 2.37 4.15 0.25 -0.71 115.11 121.98 1za1 h GLN 146 Ca 0.05 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.27 1za1 h GLN 146 Cb 0.28 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1za1 h GLN 146 CO 0.00 0.71 -0.33 1.49 -1.93 0.00 0.00 178.83 178.77 1za1 h GLU 147 N 1.10 0.70 -0.00 1.69 4.81 -1.11 0.14 114.58 121.91 1za1 h GLU 147 Ca 0.37 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1za1 h GLU 147 Cb 0.04 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1za1 h GLU 147 CO -0.13 0.93 -0.54 0.25 -0.73 0.00 0.00 179.01 178.79 1za1 n THR 148 N -4.07 0.00 -0.03 0.32 -2.24 -1.01 -4.13 114.28 103.12 1za1 n THR 148 Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1za1 n THR 148 Cb 0.49 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1za1 n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1za1 n GLN 149 N -1.30 1.50 0.00 -0.78 1.13 -0.29 -4.99 117.38 112.65 1za1 n GLN 149 Ca 0.07 -0.32 0.00 0.00 -1.94 0.00 0.00 57.00 54.80 1za1 n GLN 149 Cb 0.34 -0.81 0.00 0.00 0.11 0.00 0.00 30.24 29.88 1za1 n GLN 149 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1za1 n GLY 150 N 0.31 2.11 3.77 1.08 0.00 0.49 -4.90 105.19 108.05 1za1 n GLY 150 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1za1 n GLY 150 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1za1 s ARG 151 N 0.00 2.20 -0.02 1.61 3.03 -1.19 -4.94 118.95 119.64 1za1 s ARG 151 Ca 0.00 -1.48 0.03 0.00 2.03 0.00 0.00 55.73 56.31 1za1 s ARG 151 Cb 0.00 0.61 0.04 0.00 -1.03 0.00 0.00 34.95 34.57 1za1 s ARG 151 CO 0.00 -1.02 0.91 1.28 -1.13 0.00 0.00 175.30 175.34 1za1 n LEU 152 N -0.54 1.47 -4.48 -1.89 4.77 -1.26 -3.92 117.00 111.14 1za1 n LEU 152 Ca -0.07 -1.64 -0.24 0.00 -0.03 0.00 0.00 56.01 54.02 1za1 n LEU 152 Cb 0.60 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1za1 n LEU 152 CO 0.27 0.40 -0.47 -1.81 -1.33 0.00 0.00 177.39 174.45 1za1 s ASP 153 N -1.05 3.68 -1.24 -1.43 1.11 -1.26 -4.61 116.67 111.88 1za1 s ASP 153 Ca 0.05 -0.95 -0.30 0.00 0.18 0.00 0.00 52.55 51.53 1za1 s ASP 153 Cb 0.04 -0.36 0.03 0.00 1.07 0.00 0.00 42.92 43.71 1za1 s ASP 153 CO 0.00 0.05 0.63 0.59 1.18 0.00 0.00 175.17 177.63 1za1 n ASN 154 N -0.49 -3.74 -4.46 0.27 4.13 0.14 -4.89 115.26 106.21 1za1 n ASN 154 Ca -0.06 -1.26 -0.26 0.00 1.68 0.00 0.00 54.58 54.67 1za1 n ASN 154 Cb 0.59 -1.90 -0.11 0.00 -1.54 0.00 0.00 39.78 36.82 1za1 n ASN 154 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1za1 s LEU 155 N -7.34 2.55 -0.37 3.41 1.43 -1.25 -4.93 118.68 112.19 1za1 s LEU 155 Ca 0.44 -0.86 -0.08 0.00 -1.03 0.00 0.00 54.13 52.60 1za1 s LEU 155 Cb -0.23 -1.23 0.05 0.00 0.03 0.00 0.00 46.19 44.81 1za1 s LEU 155 CO 0.96 0.10 0.17 -1.00 0.23 0.00 0.00 176.35 176.81 1za1 s HIS 156 N -1.85 3.28 -0.18 0.29 3.76 -1.26 -0.85 115.29 118.49 1za1 s HIS 156 Ca 0.23 -1.39 -0.00 0.00 -0.15 0.00 0.00 55.06 53.75 1za1 s HIS 156 Cb -0.07 -2.51 0.00 0.00 1.11 0.00 0.00 32.58 31.10 1za1 s HIS 156 CO 0.12 -0.75 -0.14 0.08 -0.85 0.00 0.00 174.74 173.20 1za1 s VAL 157 N 1.43 2.67 -0.14 -0.90 1.01 -0.02 -0.69 120.40 123.76 1za1 s VAL 157 Ca 0.01 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1za1 s VAL 157 Cb -0.20 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1za1 s VAL 157 CO 0.03 0.50 0.08 0.00 0.00 0.00 0.00 175.10 175.71 1za1 s ALA 158 N 1.08 3.53 -0.09 5.51 0.00 0.18 -0.29 121.76 131.69 1za1 s ALA 158 Ca -0.00 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1za1 s ALA 158 Cb -0.14 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.12 1za1 s ALA 158 CO -0.04 0.40 -0.23 -1.64 0.00 0.00 0.00 175.76 174.25 1za1 s MET 159 N -0.31 2.93 0.06 0.00 -1.94 -0.15 -0.16 119.30 119.73 1za1 s MET 159 Ca 0.09 -0.86 0.05 0.00 -1.71 0.00 0.00 55.69 53.27 1za1 s MET 159 Cb -0.12 -2.30 -0.03 0.00 2.01 0.00 0.00 34.83 34.39 1za1 s MET 159 CO 0.01 0.26 -0.15 0.08 -0.01 0.00 0.00 175.02 175.21 1za1 s VAL 160 N 0.16 1.21 0.00 -6.03 1.01 0.02 -1.25 120.40 115.52 1za1 s VAL 160 Ca -0.13 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.63 1za1 s VAL 160 Cb -0.16 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1za1 s VAL 160 CO 0.07 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1za1 n GLY 161 N 1.49 0.45 3.46 4.51 0.00 -0.86 -1.59 105.19 112.65 1za1 n GLY 161 Ca -0.20 -1.58 -0.44 0.00 0.00 0.00 0.00 46.02 43.80 1za1 n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1za1 s ASP 162 N -4.00 7.01 0.41 1.61 2.15 -1.26 -4.42 116.67 118.17 1za1 s ASP 162 Ca 0.00 -2.86 0.26 0.00 0.43 0.00 0.00 52.55 50.38 1za1 s ASP 162 Cb 0.00 -2.39 0.73 0.00 -0.30 0.00 0.00 42.92 40.95 1za1 s ASP 162 CO 0.00 -0.78 1.74 -0.07 -0.17 0.00 0.00 175.17 175.89 1za1 h LEU 163 N 9.71 0.00 0.14 -1.34 3.38 -1.79 -2.20 115.31 123.21 1za1 h LEU 163 Ca 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1za1 h LEU 163 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1za1 h LEU 163 CO 1.21 0.00 -0.07 0.50 0.09 0.00 0.00 178.44 180.17 1za1 h LYS 164 N 0.00 -0.18 0.00 1.13 3.64 -1.44 -3.37 116.57 116.35 1za1 h LYS 164 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1za1 h LYS 164 Cb 0.78 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1za1 h LYS 164 CO 0.00 0.26 -1.38 0.66 -2.27 0.00 0.00 179.45 176.72 1za1 n TYR 165 N -4.94 0.12 -1.84 1.91 4.01 -1.24 -4.73 117.16 110.45 1za1 n TYR 165 Ca -0.08 0.04 -0.39 0.00 -0.16 0.00 0.00 57.90 57.31 1za1 n TYR 165 Cb 0.27 -0.36 -0.03 0.00 -0.31 0.00 0.00 39.34 38.91 1za1 n TYR 165 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1za1 s GLY 166 N -3.82 0.09 0.45 2.72 0.00 -0.83 -4.82 107.32 101.11 1za1 s GLY 166 Ca 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 44.72 44.65 1za1 s GLY 166 CO 0.86 3.67 2.07 0.07 0.00 0.00 0.00 173.10 179.77 1za1 h ARG 167 N 16.25 0.32 -0.45 2.90 0.11 -1.89 -2.40 114.38 129.22 1za1 h ARG 167 Ca -0.27 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.78 1za1 h ARG 167 Cb 1.20 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 32.19 1za1 h ARG 167 CO 1.15 0.21 0.25 1.15 0.10 0.00 0.00 179.97 182.84 1za1 h THR 168 N 0.33 1.16 0.00 0.08 2.02 -1.90 -1.83 112.91 112.76 1za1 h THR 168 Ca 0.13 -0.41 -0.12 0.00 0.77 0.00 0.00 66.41 66.78 1za1 h THR 168 Cb 0.13 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1za1 h THR 168 CO -0.03 0.17 -0.56 -0.37 0.37 0.00 0.00 175.52 175.10 1za1 h VAL 169 N 0.60 1.30 -0.48 3.16 -1.51 -1.82 -1.77 116.25 115.73 1za1 h VAL 169 Ca 0.16 -1.99 -0.05 0.00 -1.23 0.00 0.00 66.70 63.59 1za1 h VAL 169 Cb 0.05 2.10 -0.02 0.00 -2.13 0.00 0.00 31.29 31.29 1za1 h VAL 169 CO -0.03 0.55 0.12 0.45 -1.23 0.00 0.00 177.57 177.43 1za1 h HIS 170 N 0.00 0.81 -0.23 5.19 3.86 -1.25 -1.94 115.15 121.59 1za1 h HIS 170 Ca -0.01 -0.10 -0.18 0.00 -1.16 0.00 0.00 60.37 58.92 1za1 h HIS 170 Cb 1.06 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1za1 h HIS 170 CO 0.00 0.73 -0.58 0.77 0.86 0.00 0.00 177.93 179.71 1za1 h SER 171 N 0.65 0.90 -0.93 2.45 0.02 -1.17 -2.40 113.55 113.08 1za1 h SER 171 Ca 0.15 -0.57 -0.01 0.00 -0.84 0.00 0.00 61.79 60.52 1za1 h SER 171 Cb 0.33 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1za1 h SER 171 CO 0.00 1.31 0.55 0.25 -1.14 0.00 0.00 176.83 177.79 1za1 h LEU 172 N 0.54 1.13 -0.02 5.07 5.85 -1.32 0.54 115.31 127.10 1za1 h LEU 172 Ca -0.01 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1za1 h LEU 172 Cb 1.19 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1za1 h LEU 172 CO 0.13 0.87 0.01 0.74 -0.34 0.00 0.00 178.44 179.85 1za1 h THR 173 N 1.28 1.03 -0.76 1.05 2.02 -1.23 0.89 112.91 117.20 1za1 h THR 173 Ca 0.33 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.44 1za1 h THR 173 Cb -0.03 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1za1 h THR 173 CO -0.06 0.03 0.50 1.56 0.37 0.00 0.00 175.52 177.92 1za1 h GLN 174 N -0.01 0.94 -0.06 6.66 1.08 -0.90 -0.14 115.11 122.68 1za1 h GLN 174 Ca 0.01 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 1za1 h GLN 174 Cb 0.03 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.25 1za1 h GLN 174 CO -0.00 0.62 -0.23 0.00 -0.95 0.00 0.00 178.83 178.27 1za1 h ALA 175 N 1.54 0.11 0.00 3.87 0.00 -0.52 -3.05 119.26 121.22 1za1 h ALA 175 Ca 0.29 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1za1 h ALA 175 Cb -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1za1 h ALA 175 CO -0.07 0.09 -0.09 -0.07 0.00 0.00 0.00 179.25 179.11 1za1 h LEU 176 N -0.26 0.00 -0.34 0.00 3.38 -0.50 -1.63 115.31 115.97 1za1 h LEU 176 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1za1 h LEU 176 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1za1 h LEU 176 CO 0.05 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1za1 n ALA 177 N -2.30 1.85 1.02 1.53 0.00 -0.09 -2.06 120.51 120.46 1za1 n ALA 177 Ca -0.02 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1za1 n ALA 177 Cb 0.20 -1.38 0.50 0.00 0.00 0.00 0.00 19.45 18.77 1za1 n ALA 177 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1za1 n LYS 178 N -2.01 0.02 -3.23 0.00 5.02 -0.61 -4.80 118.16 112.55 1za1 n LYS 178 Ca 0.04 -0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 56.11 1za1 n LYS 178 Cb 0.27 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.83 1za1 n LYS 178 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1za1 s PHE 179 N -2.98 1.40 0.09 2.13 0.40 -0.87 -4.87 117.98 113.27 1za1 s PHE 179 Ca 0.14 -0.76 0.05 0.00 -0.60 0.00 0.00 56.93 55.75 1za1 s PHE 179 Cb 0.19 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 1za1 s PHE 179 CO 0.58 -1.03 -0.02 -0.51 0.70 0.00 0.00 175.22 174.94 1za1 s ASP 180 N -4.59 4.88 -0.58 1.36 1.01 -1.26 -4.67 116.67 112.82 1za1 s ASP 180 Ca 0.56 -0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.60 1za1 s ASP 180 Cb -0.05 -1.12 0.00 0.00 1.01 0.00 0.00 42.92 42.76 1za1 s ASP 180 CO 0.35 0.18 0.00 0.61 0.21 0.00 0.00 175.17 176.52 1za1 n GLY 181 N 0.66 0.69 3.75 0.21 0.00 -1.26 0.24 105.19 109.48 1za1 n GLY 181 Ca -0.12 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1za1 n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1za1 s ASN 182 N -2.36 7.43 -0.16 1.61 0.01 -1.26 -3.60 114.94 116.61 1za1 s ASN 182 Ca 0.00 2.09 -0.01 0.00 -0.71 0.00 0.00 52.86 54.23 1za1 s ASN 182 Cb 0.00 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 1za1 s ASN 182 CO 0.00 -0.03 -0.10 -0.60 -1.51 0.00 0.00 177.10 174.86 1za1 s ARG 183 N -1.11 3.41 -0.04 -0.60 6.06 -0.03 -4.11 118.95 122.53 1za1 s ARG 183 Ca 0.44 -0.65 0.01 0.00 -2.50 0.00 0.00 55.73 53.03 1za1 s ARG 183 Cb -0.29 -2.76 -0.03 0.00 0.06 0.00 0.00 34.95 31.93 1za1 s ARG 183 CO 0.36 0.11 -0.05 -0.06 -2.50 0.00 0.00 175.30 173.15 1za1 s PHE 184 N 0.65 2.96 -0.21 5.12 0.08 0.62 -0.84 117.98 126.36 1za1 s PHE 184 Ca -0.05 0.03 0.01 0.00 0.12 0.00 0.00 56.93 57.03 1za1 s PHE 184 Cb -0.15 -1.68 0.05 0.00 -0.57 0.00 0.00 43.02 40.66 1za1 s PHE 184 CO 0.02 0.37 -0.09 0.71 -0.10 0.00 0.00 175.22 176.14 1za1 s TYR 185 N -0.91 2.41 -0.41 0.36 1.51 0.61 -1.57 117.35 119.34 1za1 s TYR 185 Ca 0.15 -1.63 -0.15 0.00 -1.01 0.00 0.00 57.07 54.43 1za1 s TYR 185 Cb -0.11 -1.62 0.02 0.00 -0.11 0.00 0.00 41.96 40.14 1za1 s TYR 185 CO 0.04 -0.75 0.31 -0.06 -1.11 0.00 0.00 175.55 173.98 1za1 s PHE 186 N 1.40 3.24 -0.40 2.71 0.08 -0.40 -0.98 117.98 123.62 1za1 s PHE 186 Ca -0.02 -0.58 -0.05 0.00 0.12 0.00 0.00 56.93 56.40 1za1 s PHE 186 Cb -0.17 -2.61 0.09 0.00 -0.57 0.00 0.00 43.02 39.77 1za1 s PHE 186 CO -0.08 -0.59 0.20 0.42 -0.10 0.00 0.00 175.22 175.07 1za1 s ILE 187 N 1.70 3.64 0.05 0.64 1.01 -0.38 -2.24 121.20 125.62 1za1 s ILE 187 Ca 0.05 -1.69 -0.21 0.00 0.00 0.00 0.00 60.65 58.81 1za1 s ILE 187 Cb -0.19 -3.32 0.05 0.00 0.01 0.00 0.00 42.46 39.01 1za1 s ILE 187 CO 0.10 -0.53 0.48 0.00 0.00 0.00 0.00 174.94 174.99 1za1 s ALA 188 N 1.28 -1.20 0.53 9.38 0.00 -1.26 -2.02 121.76 128.46 1za1 s ALA 188 Ca 0.04 0.48 -0.20 0.00 0.00 0.00 0.00 51.96 52.28 1za1 s ALA 188 Cb -0.23 0.37 -0.06 0.00 0.00 0.00 0.00 23.12 23.21 1za1 s ALA 188 CO -0.01 -0.49 1.17 -1.25 0.00 0.00 0.00 175.76 175.18 1za1 s PRO 189 N -2.47 3.39 0.41 0.00 0.04 -1.26 -4.82 135.00 130.29 1za1 s PRO 189 Ca -0.05 1.73 0.16 0.00 0.04 0.00 0.00 61.00 62.88 1za1 s PRO 189 Cb -0.01 -2.12 1.03 0.00 0.04 0.00 0.00 34.50 33.45 1za1 s PRO 189 CO -0.02 -0.85 1.87 -0.44 0.04 0.00 0.00 177.00 177.60 1za1 h ASP 190 N 1.40 0.45 0.60 6.66 5.19 -1.99 0.25 116.42 128.97 1za1 h ASP 190 Ca -0.50 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1za1 h ASP 190 Cb 1.27 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1za1 h ASP 190 CO 0.58 0.20 0.00 0.00 -3.12 0.00 0.00 179.24 176.89 1za1 n ALA 191 N -2.50 1.56 -2.48 3.45 0.00 -1.26 -3.21 120.51 116.07 1za1 n ALA 191 Ca 0.18 0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.57 1za1 n ALA 191 Cb 0.63 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.74 1za1 n ALA 191 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1za1 n LEU 192 N -2.19 3.23 -4.81 0.00 4.77 0.85 -4.96 117.00 113.90 1za1 n LEU 192 Ca 0.02 -4.15 -0.33 0.00 -0.03 0.00 0.00 56.01 51.52 1za1 n LEU 192 Cb 0.19 0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1za1 n LEU 192 CO 0.18 1.72 0.70 0.00 -1.33 0.00 0.00 177.39 178.66 1za1 s ALA 193 N -3.55 2.87 0.18 -1.18 0.00 -1.09 -2.40 121.76 116.58 1za1 s ALA 193 Ca 0.39 0.37 -0.32 0.00 0.00 0.00 0.00 51.96 52.40 1za1 s ALA 193 Cb 0.39 -3.20 -0.12 0.00 0.00 0.00 0.00 23.12 20.19 1za1 s ALA 193 CO -0.03 -0.51 1.71 -0.12 0.00 0.00 0.00 175.76 176.81 1za1 n MET 194 N -1.63 2.59 -1.46 0.00 1.56 -1.26 -3.20 117.12 113.71 1za1 n MET 194 Ca 0.08 0.94 -0.38 0.00 -0.27 0.00 0.00 57.70 58.07 1za1 n MET 194 Cb 0.53 -2.77 0.04 0.00 2.15 0.00 0.00 33.22 33.17 1za1 n MET 194 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1za1 n PRO 195 N 4.14 0.51 0.10 2.12 -0.02 -1.26 -4.84 135.00 135.75 1za1 n PRO 195 Ca 0.17 0.20 0.01 0.00 -2.02 0.00 0.00 63.50 61.86 1za1 n PRO 195 Cb 0.33 -1.73 0.35 0.00 -0.02 0.00 0.00 33.50 32.44 1za1 n PRO 195 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1za1 h GLN 196 N 0.22 0.26 0.00 -0.52 5.75 -2.00 -2.61 115.11 116.22 1za1 h GLN 196 Ca -0.46 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 57.91 1za1 h GLN 196 Cb 1.40 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.91 1za1 h GLN 196 CO 0.47 0.44 -0.30 0.10 -2.65 0.00 0.00 178.83 176.88 1za1 h TYR 197 N 0.25 0.00 0.01 3.99 -0.00 -1.99 0.12 116.97 119.35 1za1 h TYR 197 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 58.73 58.54 1za1 h TYR 197 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 36.73 37.20 1za1 h TYR 197 CO 0.01 0.30 -0.93 0.82 -0.00 0.00 0.00 178.16 178.36 1za1 h ILE 198 N 0.00 1.32 -0.74 -0.90 1.08 -1.83 -2.11 117.51 114.33 1za1 h ILE 198 Ca -0.00 -2.21 -0.06 0.00 -0.39 0.00 0.00 64.86 62.20 1za1 h ILE 198 Cb 0.69 2.47 -0.03 0.00 -3.07 0.00 0.00 36.82 36.87 1za1 h ILE 198 CO 0.04 0.67 0.24 -0.07 -0.69 0.00 0.00 178.15 178.34 1za1 h LEU 199 N 0.24 1.07 -0.54 1.44 3.38 -1.15 -1.77 115.31 117.98 1za1 h LEU 199 Ca -0.12 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1za1 h LEU 199 Cb 1.60 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1za1 h LEU 199 CO 0.18 0.99 0.02 0.44 0.09 0.00 0.00 178.44 180.16 1za1 h ASP 200 N 1.10 0.91 -0.16 -0.43 3.32 -0.79 -0.70 116.42 119.67 1za1 h ASP 200 Ca 0.24 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 57.03 1za1 h ASP 200 Cb 0.29 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1za1 h ASP 200 CO -0.01 0.98 -0.07 -0.03 -1.72 0.00 0.00 179.24 178.39 1za1 h MET 201 N 0.81 -0.06 -0.80 3.56 4.05 -1.07 -2.10 114.93 119.32 1za1 h MET 201 Ca 0.15 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.59 1za1 h MET 201 Cb 0.50 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.27 1za1 h MET 201 CO 0.02 -0.04 0.53 -0.07 0.23 0.00 0.00 176.91 177.59 1za1 h LEU 202 N -0.06 0.91 -0.35 3.39 3.38 -0.97 -2.76 115.31 118.85 1za1 h LEU 202 Ca 0.09 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1za1 h LEU 202 Cb 0.19 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1za1 h LEU 202 CO -0.20 0.66 0.14 0.44 0.09 0.00 0.00 178.44 179.57 1za1 h ASP 203 N 1.08 0.17 -0.85 -0.43 3.32 -0.57 -0.53 116.42 118.61 1za1 h ASP 203 Ca 0.30 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.41 1za1 h ASP 203 Cb -0.12 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 1za1 h ASP 203 CO -0.07 0.14 0.56 -0.33 -1.72 0.00 0.00 179.24 177.82 1za1 h GLU 204 N 0.30 1.02 0.00 3.56 5.08 -1.15 0.52 114.58 123.91 1za1 h GLU 204 Ca 0.15 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1za1 h GLU 204 Cb 0.11 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1za1 h GLU 204 CO -0.14 0.68 0.00 1.63 -1.00 0.00 0.00 179.01 180.18 1za1 n LYS 205 N -4.45 0.48 -2.43 2.33 5.02 -0.93 -4.90 118.16 113.29 1za1 n LYS 205 Ca 0.11 0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.27 1za1 n LYS 205 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1za1 n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1za1 n GLY 206 N 1.15 -0.16 3.80 0.72 0.00 0.17 -5.00 105.19 105.87 1za1 n GLY 206 Ca 0.15 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1za1 n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1za1 s ILE 207 N -2.78 4.83 0.13 -0.61 -1.09 -0.31 -5.02 121.20 116.36 1za1 s ILE 207 Ca 0.07 1.17 -0.26 0.00 -2.23 0.00 0.00 60.65 59.40 1za1 s ILE 207 Cb -0.03 -3.88 -0.07 0.00 -1.58 0.00 0.00 42.46 36.90 1za1 s ILE 207 CO 0.09 0.52 0.79 0.00 -1.23 0.00 0.00 174.94 175.10 1za1 s ALA 208 N -0.81 3.41 -0.08 9.38 0.00 -1.26 -4.51 121.76 127.89 1za1 s ALA 208 Ca 0.29 0.36 -0.23 0.00 0.00 0.00 0.00 51.96 52.38 1za1 s ALA 208 Cb -0.19 -2.99 0.05 0.00 0.00 0.00 0.00 23.12 19.99 1za1 s ALA 208 CO 0.18 0.21 0.53 1.67 0.00 0.00 0.00 175.76 178.35 1za1 s TRP 209 N -0.79 -0.50 0.13 0.00 1.48 -1.26 -0.28 118.94 117.73 1za1 s TRP 209 Ca 0.37 0.96 -0.02 0.00 -1.06 0.00 0.00 56.10 56.35 1za1 s TRP 209 Cb -0.23 0.26 -0.04 0.00 -1.16 0.00 0.00 33.47 32.31 1za1 s TRP 209 CO 0.26 -0.46 0.08 -1.54 -4.06 0.00 0.00 176.95 171.23 1za1 s SER 210 N -0.83 0.28 0.02 -2.66 1.04 -0.61 -4.95 113.70 105.99 1za1 s SER 210 Ca -0.09 -1.16 0.02 0.00 0.48 0.00 0.00 55.95 55.20 1za1 s SER 210 Cb -0.03 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1za1 s SER 210 CO 0.06 -0.75 0.04 -0.76 0.98 0.00 0.00 173.24 172.81 1za1 s LEU 211 N -3.04 3.67 0.02 2.42 1.43 -1.26 -1.28 118.68 120.65 1za1 s LEU 211 Ca 0.23 0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.29 1za1 s LEU 211 Cb 0.07 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1za1 s LEU 211 CO 0.01 0.24 0.09 -1.00 0.23 0.00 0.00 176.35 175.92 1za1 s HIS 212 N -1.20 0.17 0.06 0.29 3.76 -0.95 -4.94 115.29 112.47 1za1 s HIS 212 Ca 0.23 -0.41 -0.16 0.00 -0.15 0.00 0.00 55.06 54.57 1za1 s HIS 212 Cb -0.12 -0.13 -0.23 0.00 1.11 0.00 0.00 32.58 33.22 1za1 s HIS 212 CO 0.14 -0.32 1.17 0.77 -0.85 0.00 0.00 174.74 175.66 1za1 h SER 213 N 3.98 0.81 -5.27 1.40 0.02 -1.92 -3.35 113.55 109.23 1za1 h SER 213 Ca -0.32 -0.74 -0.10 0.00 -0.84 0.00 0.00 61.79 59.79 1za1 h SER 213 Cb 1.19 -0.25 -0.12 0.00 0.14 0.00 0.00 62.40 63.36 1za1 h SER 213 CO 0.46 1.44 -0.29 -0.94 -1.14 0.00 0.00 176.83 176.37 1za1 s SER 214 N -7.13 0.01 0.18 3.07 1.04 -1.26 -4.75 113.70 104.87 1za1 s SER 214 Ca -0.11 -0.89 -0.14 0.00 0.48 0.00 0.00 55.95 55.29 1za1 s SER 214 Cb 0.06 0.46 0.18 0.00 0.10 0.00 0.00 66.02 66.82 1za1 s SER 214 CO 0.89 -0.93 1.69 0.40 0.98 0.00 0.00 173.24 176.27 1za1 h ILE 215 N 2.49 0.63 -0.63 -1.02 5.03 -1.93 -2.81 117.51 119.27 1za1 h ILE 215 Ca -0.31 -0.04 0.18 0.00 -0.12 0.00 0.00 64.86 64.57 1za1 h ILE 215 Cb 1.23 0.50 -0.03 0.00 -3.03 0.00 0.00 36.82 35.50 1za1 h ILE 215 CO 0.46 0.02 0.54 -0.33 -0.68 0.00 0.00 178.15 178.16 1za1 h GLU 216 N 0.12 0.00 0.00 2.37 5.08 -1.97 0.10 114.58 120.28 1za1 h GLU 216 Ca 0.24 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1za1 h GLU 216 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1za1 h GLU 216 CO -0.40 0.00 -0.16 0.93 -1.00 0.00 0.00 179.01 178.38 1za1 h GLU 217 N 0.00 0.00 0.00 2.33 5.08 -1.93 -3.25 114.58 116.80 1za1 h GLU 217 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1za1 h GLU 217 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1za1 h GLU 217 CO -0.00 0.16 0.00 1.55 -1.00 0.00 0.00 179.01 179.72 1za1 n VAL 218 N -4.29 0.00 -0.39 3.13 3.14 -0.02 -4.81 118.33 115.09 1za1 n VAL 218 Ca -0.02 -0.49 0.32 0.00 -2.96 0.00 0.00 64.34 61.18 1za1 n VAL 218 Cb 0.23 1.00 0.59 0.00 -1.06 0.00 0.00 33.84 34.60 1za1 n VAL 218 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 1za1 h MET 219 N 0.00 0.15 0.00 1.45 -1.53 -0.94 -0.84 114.93 113.23 1za1 h MET 219 Ca 0.00 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 1za1 h MET 219 Cb 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.02 1za1 h MET 219 CO 0.00 0.10 0.00 0.00 0.14 0.00 0.00 176.91 177.15 1za1 n ALA 220 N -2.43 2.14 -0.57 0.39 0.00 -1.26 -3.74 120.51 115.04 1za1 n ALA 220 Ca 0.35 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.71 1za1 n ALA 220 Cb 1.25 -1.39 0.02 0.00 0.00 0.00 0.00 19.45 19.33 1za1 n ALA 220 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1za1 n GLU 221 N -1.41 1.68 -3.44 0.00 0.28 -0.33 -4.52 120.64 112.91 1za1 n GLU 221 Ca 0.08 -1.30 -0.35 0.00 -0.16 0.00 0.00 57.16 55.43 1za1 n GLU 221 Cb 0.24 -0.88 -0.06 0.00 1.43 0.00 0.00 31.44 32.18 1za1 n GLU 221 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1za1 s VAL 222 N -0.86 4.94 -0.17 3.84 -7.23 -1.20 -4.75 120.40 114.97 1za1 s VAL 222 Ca 0.04 0.68 0.11 0.00 -1.81 0.00 0.00 61.98 61.00 1za1 s VAL 222 Cb 0.03 -3.70 -0.23 0.00 0.56 0.00 0.00 36.38 33.05 1za1 s VAL 222 CO 0.00 0.25 0.16 0.47 -0.31 0.00 0.00 175.10 175.67 1za1 n ASP 223 N 0.80 0.82 -3.83 4.85 8.00 0.14 -4.49 116.55 122.84 1za1 n ASP 223 Ca -0.06 0.08 -0.22 0.00 0.71 0.00 0.00 54.79 55.30 1za1 n ASP 223 Cb 0.52 0.29 -0.17 0.00 -0.02 0.00 0.00 41.12 41.74 1za1 n ASP 223 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1za1 s ILE 224 N -2.53 0.49 -0.43 0.53 1.09 -1.12 -1.79 121.20 117.44 1za1 s ILE 224 Ca -0.15 -0.00 -0.07 0.00 -1.10 0.00 0.00 60.65 59.33 1za1 s ILE 224 Cb 0.07 -0.59 0.10 0.00 -1.06 0.00 0.00 42.46 40.99 1za1 s ILE 224 CO 0.77 0.26 0.27 -0.22 -0.10 0.00 0.00 174.94 175.92 1za1 s LEU 225 N 1.57 5.37 -0.38 2.97 2.96 -0.65 -0.65 118.68 129.87 1za1 s LEU 225 Ca -0.01 -1.83 -0.17 0.00 -0.22 0.00 0.00 54.13 51.91 1za1 s LEU 225 Cb -0.13 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.63 1za1 s LEU 225 CO -0.04 -0.60 0.44 -0.47 -1.32 0.00 0.00 176.35 174.36 1za1 s TYR 226 N 1.31 3.18 0.03 5.38 5.04 0.77 -1.34 117.35 131.72 1za1 s TYR 226 Ca 0.05 -0.14 -0.03 0.00 -2.44 0.00 0.00 57.07 54.52 1za1 s TYR 226 Cb -0.24 -2.85 -0.04 0.00 0.35 0.00 0.00 41.96 39.18 1za1 s TYR 226 CO -0.01 -0.59 0.23 -1.64 -1.34 0.00 0.00 175.55 172.20 1za1 s MET 227 N 2.18 3.49 0.07 4.97 -1.94 -0.18 -0.80 119.30 127.09 1za1 s MET 227 Ca 0.14 -0.29 0.03 0.00 -1.71 0.00 0.00 55.69 53.86 1za1 s MET 227 Cb -0.16 -3.05 -0.03 0.00 2.01 0.00 0.00 34.83 33.60 1za1 s MET 227 CO 0.13 0.63 -0.09 0.95 -0.01 0.00 0.00 175.02 176.63 1za1 s THR 228 N -1.42 0.73 0.04 2.05 -4.23 -0.62 -4.00 115.64 108.20 1za1 s THR 228 Ca 0.31 -1.44 -0.30 0.00 -1.18 0.00 0.00 61.69 59.08 1za1 s THR 228 Cb -0.13 -1.09 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 1za1 s THR 228 CO 0.22 -0.53 1.16 -0.60 -0.54 0.00 0.00 174.62 174.33 1za1 s ARG 229 N -2.43 4.44 -0.51 3.99 3.52 -1.26 -4.44 118.95 122.26 1za1 s ARG 229 Ca -0.00 1.70 -0.19 0.00 -0.13 0.00 0.00 55.73 57.11 1za1 s ARG 229 Cb -0.05 -3.39 0.06 0.00 -1.56 0.00 0.00 34.95 30.02 1za1 s ARG 229 CO -0.01 -0.24 0.64 0.08 -0.81 0.00 0.00 175.30 174.96 1za1 s VAL 230 N 1.18 4.86 -0.20 7.11 1.01 -1.26 -4.38 120.40 128.74 1za1 s VAL 230 Ca 0.57 -0.53 -0.33 0.00 0.00 0.00 0.00 61.98 61.69 1za1 s VAL 230 Cb -0.27 -4.32 -0.10 0.00 0.00 0.00 0.00 36.38 31.69 1za1 s VAL 230 CO 0.28 -0.84 2.06 0.00 0.00 0.00 0.00 175.10 176.60 1za1 n GLN 231 N 6.20 1.82 -0.20 2.72 10.64 -1.26 -4.83 117.38 132.47 1za1 n GLN 231 Ca -0.07 0.59 0.10 0.00 -1.83 0.00 0.00 57.00 55.80 1za1 n GLN 231 Cb 0.45 -2.76 0.40 0.00 -0.86 0.00 0.00 30.24 27.48 1za1 n GLN 231 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1za1 h LYS 232 N 11.69 0.62 0.00 2.61 3.11 -1.94 -1.72 116.57 130.94 1za1 h LYS 232 Ca -0.41 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 57.36 1za1 h LYS 232 Cb 1.28 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 32.36 1za1 h LYS 232 CO 0.97 0.41 -0.19 0.93 -2.81 0.00 0.00 179.45 178.76 1za1 h GLU 233 N 0.64 0.00 0.02 1.90 3.07 -2.01 -3.11 114.58 115.10 1za1 h GLU 233 Ca 0.37 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.26 1za1 h GLU 233 Cb 0.55 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.42 1za1 h GLU 233 CO -0.14 0.19 -0.29 0.00 -1.40 0.00 0.00 179.01 177.37 1za1 h ARG 234 N 0.00 -0.43 -6.94 2.33 2.47 -1.69 -3.44 114.38 106.68 1za1 h ARG 234 Ca -0.00 0.03 -0.45 0.00 -1.26 0.00 0.00 59.98 58.30 1za1 h ARG 234 Cb 0.47 0.10 0.05 0.00 -1.65 0.00 0.00 29.97 28.94 1za1 h ARG 234 CO 0.02 -0.29 0.04 -0.51 0.56 0.00 0.00 179.97 179.79 1za1 s LEU 235 N -10.35 3.25 0.17 3.04 1.43 -1.18 -5.08 118.68 109.97 1za1 s LEU 235 Ca -0.15 0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 52.91 1za1 s LEU 235 Cb 0.09 -3.08 -0.08 0.00 0.03 0.00 0.00 46.19 43.16 1za1 s LEU 235 CO 0.65 -1.13 0.89 -0.62 0.23 0.00 0.00 176.35 176.37 1za1 s ASP 236 N -4.38 7.50 0.29 2.29 2.15 -1.26 -4.83 116.67 118.43 1za1 s ASP 236 Ca 0.55 1.79 0.01 0.00 0.43 0.00 0.00 52.55 55.33 1za1 s ASP 236 Cb -0.10 -2.56 0.72 0.00 -0.30 0.00 0.00 42.92 40.67 1za1 s ASP 236 CO 0.41 0.09 1.61 -0.65 -0.17 0.00 0.00 175.17 176.46 1za1 h PRO 237 N 4.74 0.09 -0.19 4.34 0.11 -1.97 0.62 132.00 139.74 1za1 h PRO 237 Ca -0.45 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 1za1 h PRO 237 Cb 1.20 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1za1 h PRO 237 CO 0.69 0.06 -0.50 0.77 -0.21 0.00 0.00 178.00 178.81 1za1 h SER 238 N 0.09 0.56 -0.41 -2.05 0.02 -1.99 -0.84 113.55 108.94 1za1 h SER 238 Ca 0.57 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 1za1 h SER 238 Cb 1.16 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 1za1 h SER 238 CO -0.78 0.97 0.09 -0.08 -1.14 0.00 0.00 176.83 175.89 1za1 h GLU 239 N 0.41 0.66 -0.49 3.45 4.81 -0.80 -1.14 114.58 121.48 1za1 h GLU 239 Ca 0.02 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1za1 h GLU 239 Cb 1.02 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 1za1 h GLU 239 CO 0.09 0.68 0.31 -0.92 -0.73 0.00 0.00 179.01 178.45 1za1 h TYR 240 N 0.52 0.58 -0.42 0.92 3.20 0.20 -2.48 116.97 119.49 1za1 h TYR 240 Ca 0.13 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1za1 h TYR 240 Cb 0.33 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1za1 h TYR 240 CO 0.02 0.35 0.09 0.00 -1.64 0.00 0.00 178.16 176.98 1za1 h ALA 241 N 1.20 1.36 0.00 1.82 0.00 -0.85 -0.62 119.26 122.16 1za1 h ALA 241 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1za1 h ALA 241 Cb -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1za1 h ALA 241 CO -0.06 0.46 0.00 0.09 0.00 0.00 0.00 179.25 179.73 1za1 n ASN 242 N -4.30 0.00 0.00 0.00 3.02 -0.46 -4.03 115.26 109.49 1za1 n ASN 242 Ca 0.03 0.49 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 1za1 n ASN 242 Cb 0.21 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1za1 n ASN 242 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1za1 n VAL 243 N -1.49 0.00 -0.05 2.41 3.14 -1.06 -4.81 118.33 116.46 1za1 n VAL 243 Ca 0.06 -0.03 0.12 0.00 -2.96 0.00 0.00 64.34 61.53 1za1 n VAL 243 Cb 0.28 0.40 0.53 0.00 -1.06 0.00 0.00 33.84 33.98 1za1 n VAL 243 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1za1 h LYS 244 N 0.00 0.33 -0.93 1.45 -0.00 -1.25 -2.78 116.57 113.38 1za1 h LYS 244 Ca 0.00 -0.02 0.13 0.00 -0.00 0.00 0.00 60.65 60.76 1za1 h LYS 244 Cb 0.00 -0.07 -0.08 0.00 -0.00 0.00 0.00 32.23 32.08 1za1 h LYS 244 CO 0.00 0.22 0.60 0.00 -0.00 0.00 0.00 179.45 180.26 1za1 h ALA 245 N 1.72 1.69 0.00 0.07 0.00 -1.86 0.17 119.26 121.05 1za1 h ALA 245 Ca 0.25 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1za1 h ALA 245 Cb 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1za1 h ALA 245 CO -0.06 0.08 0.00 1.04 0.00 0.00 0.00 179.25 180.31 1za1 n GLN 246 N -4.58 0.21 -0.64 0.00 1.13 -1.05 -3.10 117.38 109.35 1za1 n GLN 246 Ca 0.18 0.14 0.04 0.00 -1.94 0.00 0.00 57.00 55.42 1za1 n GLN 246 Cb 0.40 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.32 1za1 n GLN 246 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1za1 n PHE 247 N -1.29 0.00 -4.35 1.08 3.72 0.59 -4.39 117.46 112.83 1za1 n PHE 247 Ca 0.07 -0.58 -0.23 0.00 -0.05 0.00 0.00 57.45 56.66 1za1 n PHE 247 Cb 0.12 -0.13 -0.12 0.00 -0.94 0.00 0.00 39.48 38.42 1za1 n PHE 247 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1za1 s VAL 248 N -1.17 1.93 -0.05 -4.37 -7.23 -1.12 -4.77 120.40 103.62 1za1 s VAL 248 Ca 0.21 -1.89 0.06 0.00 -1.81 0.00 0.00 61.98 58.55 1za1 s VAL 248 Cb 0.21 -1.87 -0.01 0.00 0.56 0.00 0.00 36.38 35.27 1za1 s VAL 248 CO -0.04 -0.23 -0.24 -0.22 -0.31 0.00 0.00 175.10 174.06 1za1 s LEU 249 N -2.56 2.04 0.21 1.32 2.96 0.17 -5.00 118.68 117.82 1za1 s LEU 249 Ca 0.16 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.66 1za1 s LEU 249 Cb -0.07 -1.30 -0.05 0.00 0.50 0.00 0.00 46.19 45.27 1za1 s LEU 249 CO 0.07 0.24 -0.12 -0.13 -1.32 0.00 0.00 176.35 175.09 1za1 s ARG 250 N -0.22 1.35 0.43 1.98 0.52 -1.26 -0.84 118.95 120.91 1za1 s ARG 250 Ca -0.01 -1.62 0.17 0.00 -0.52 0.00 0.00 55.73 53.75 1za1 s ARG 250 Cb -0.13 -1.08 0.97 0.00 0.52 0.00 0.00 34.95 35.23 1za1 s ARG 250 CO 0.03 0.15 1.93 0.00 0.02 0.00 0.00 175.30 177.42 1za1 h ALA 251 N 2.52 1.44 0.00 2.13 0.00 -1.90 -1.57 119.26 121.89 1za1 h ALA 251 Ca -0.38 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1za1 h ALA 251 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1za1 h ALA 251 CO 0.63 0.32 0.00 0.66 0.00 0.00 0.00 179.25 180.86 1za1 h SER 252 N 0.00 0.00 0.69 0.00 4.64 -1.96 0.11 113.55 117.03 1za1 h SER 252 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1za1 h SER 252 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1za1 h SER 252 CO 0.03 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.46 1za1 n ASP 253 N -2.90 0.00 -0.58 4.97 8.00 -0.59 -3.76 116.55 121.69 1za1 n ASP 253 Ca -0.01 0.14 0.12 0.00 0.71 0.00 0.00 54.79 55.75 1za1 n ASP 253 Cb 0.16 -0.37 0.41 0.00 -0.02 0.00 0.00 41.12 41.30 1za1 n ASP 253 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1za1 n LEU 254 N -1.37 1.78 0.09 0.64 4.77 0.38 -4.47 117.00 118.82 1za1 n LEU 254 Ca 0.10 -0.68 0.18 0.00 -0.03 0.00 0.00 56.01 55.58 1za1 n LEU 254 Cb 0.26 -0.07 0.71 0.00 -2.33 0.00 0.00 43.42 42.00 1za1 n LEU 254 CO 0.23 0.34 1.16 1.12 -1.33 0.00 0.00 177.39 178.91 1za1 h HIS 255 N 2.54 0.00 0.00 -1.77 2.07 -1.73 -2.55 115.15 113.71 1za1 h HIS 255 Ca 0.00 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.41 1za1 h HIS 255 Cb 0.55 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.51 1za1 h HIS 255 CO 0.07 0.00 -1.18 -0.91 -3.07 0.00 0.00 177.93 172.83 1za1 h ASN 256 N 0.00 0.00 -2.75 3.10 -0.26 -1.89 -3.49 115.58 110.30 1za1 h ASN 256 Ca 0.17 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 55.32 1za1 h ASN 256 Cb 0.74 0.00 0.13 0.00 -1.06 0.00 0.00 38.32 38.13 1za1 h ASN 256 CO -0.00 0.38 0.05 0.00 -1.06 0.00 0.00 177.43 176.80 1za1 n ALA 257 N -2.31 -0.25 -1.77 -0.83 0.00 -0.96 -4.24 120.51 110.16 1za1 n ALA 257 Ca -0.05 0.27 -0.36 0.00 0.00 0.00 0.00 53.44 53.29 1za1 n ALA 257 Cb 0.74 -2.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.18 1za1 n ALA 257 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1za1 s LYS 258 N -1.80 3.56 0.52 0.00 1.02 -1.26 -4.91 119.74 116.87 1za1 s LYS 258 Ca 0.62 1.76 0.23 0.00 0.02 0.00 0.00 55.97 58.60 1za1 s LYS 258 Cb -0.61 -2.25 1.35 0.00 -0.52 0.00 0.00 37.83 35.80 1za1 s LYS 258 CO 0.58 -0.71 2.02 0.00 -0.92 0.00 0.00 175.35 176.31 1za1 h ALA 259 N 1.70 2.40 -0.00 5.17 0.00 -1.95 -0.99 119.26 125.59 1za1 h ALA 259 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1za1 h ALA 259 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1za1 h ALA 259 CO 0.59 -0.53 -0.25 0.27 0.00 0.00 0.00 179.25 179.33 1za1 n ASN 260 N -4.41 0.32 -4.73 0.00 6.94 -1.26 -4.92 115.26 107.20 1za1 n ASN 260 Ca 0.08 -0.03 -0.42 0.00 -0.02 0.00 0.00 54.58 54.20 1za1 n ASN 260 Cb 0.52 -0.08 -0.03 0.00 -2.36 0.00 0.00 39.78 37.83 1za1 n ASN 260 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 1za1 s MET 261 N -2.91 4.28 0.05 -3.83 1.75 -0.38 -4.91 119.30 113.34 1za1 s MET 261 Ca 0.15 2.23 0.09 0.00 -1.25 0.00 0.00 55.69 56.92 1za1 s MET 261 Cb 0.18 -3.17 -0.03 0.00 2.84 0.00 0.00 34.83 34.65 1za1 s MET 261 CO 0.60 -0.48 -0.26 0.15 -0.65 0.00 0.00 175.02 174.38 1za1 s LYS 262 N 0.62 1.78 -0.22 4.11 -0.14 -0.74 -4.39 119.74 120.76 1za1 s LYS 262 Ca 0.64 -1.12 -0.08 0.00 -1.36 0.00 0.00 55.97 54.05 1za1 s LYS 262 Cb -0.41 -1.98 -0.04 0.00 -1.68 0.00 0.00 37.83 33.73 1za1 s LYS 262 CO 0.35 0.51 0.09 0.08 -0.76 0.00 0.00 175.35 175.62 1za1 s VAL 263 N -0.82 4.77 0.26 3.17 1.01 0.10 -1.63 120.40 127.27 1za1 s VAL 263 Ca 0.12 -0.03 0.10 0.00 0.00 0.00 0.00 61.98 62.17 1za1 s VAL 263 Cb -0.10 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1za1 s VAL 263 CO 0.02 0.38 -0.07 -0.76 0.00 0.00 0.00 175.10 174.67 1za1 s LEU 264 N 1.03 3.00 -0.29 3.92 1.43 -0.45 -1.61 118.68 125.71 1za1 s LEU 264 Ca 0.05 -0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 52.27 1za1 s LEU 264 Cb -0.14 -1.54 0.13 0.00 0.03 0.00 0.00 46.19 44.67 1za1 s LEU 264 CO 0.03 0.02 0.80 -2.28 0.23 0.00 0.00 176.35 175.16 1za1 s HIS 265 N -2.31 -0.98 -1.26 0.29 2.46 -1.26 -1.01 115.29 111.22 1za1 s HIS 265 Ca 0.30 1.79 0.08 0.00 0.47 0.00 0.00 55.06 57.70 1za1 s HIS 265 Cb -0.06 0.58 0.36 0.00 -0.13 0.00 0.00 32.58 33.34 1za1 s HIS 265 CO 0.18 -0.48 1.16 -0.35 -2.47 0.00 0.00 174.74 172.78 1za1 n PRO 266 N 4.71 0.07 -0.81 2.88 -0.04 -1.26 -4.86 135.00 135.70 1za1 n PRO 266 Ca -0.15 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1za1 n PRO 266 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1za1 n PRO 266 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1za1 n LEU 267 N -1.37 -0.88 -4.77 1.53 4.77 -1.26 -5.00 117.00 110.01 1za1 n LEU 267 Ca 0.03 1.48 -0.38 0.00 -0.03 0.00 0.00 56.01 57.11 1za1 n LEU 267 Cb 0.07 -1.14 -0.04 0.00 -2.33 0.00 0.00 43.42 39.98 1za1 n LEU 267 CO 0.06 -0.41 0.76 -2.16 -1.33 0.00 0.00 177.39 174.31 1za1 s PRO 268 N -4.74 4.29 0.04 3.23 0.04 -1.26 -5.01 135.00 131.59 1za1 s PRO 268 Ca 0.00 1.62 0.01 0.00 0.04 0.00 0.00 61.00 62.66 1za1 s PRO 268 Cb 0.00 -2.73 0.01 0.00 0.04 0.00 0.00 34.50 31.81 1za1 s PRO 268 CO 0.00 -0.06 0.05 2.89 0.04 0.00 0.00 177.00 179.93 1za1 n ARG 269 N 0.29 1.07 0.00 4.56 -4.01 -1.26 -4.63 116.66 112.68 1za1 n ARG 269 Ca 0.03 -0.24 0.00 0.00 -1.04 0.00 0.00 57.85 56.60 1za1 n ARG 269 Cb 0.48 -0.01 0.00 0.00 -3.04 0.00 0.00 32.46 29.89 1za1 n ARG 269 CO 0.00 0.00 0.00 1.55 -3.04 0.00 0.00 177.63 176.14 1za1 n VAL 270 N -0.99 0.00 0.55 8.89 3.14 -1.26 -4.85 118.33 123.81 1za1 n VAL 270 Ca 0.01 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.49 1za1 n VAL 270 Cb 0.05 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.69 1za1 n VAL 270 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1za1 n ASP 271 N 0.00 0.65 -0.00 6.55 10.43 -1.26 -4.60 116.55 128.31 1za1 n ASP 271 Ca 0.00 -0.57 0.03 0.00 2.57 0.00 0.00 54.79 56.82 1za1 n ASP 271 Cb 0.00 1.40 -0.04 0.00 1.84 0.00 0.00 41.12 44.32 1za1 n ASP 271 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 1za1 n GLU 272 N -1.79 0.23 -3.95 -1.24 0.00 -1.26 -4.82 120.64 107.81 1za1 n GLU 272 Ca 0.01 -0.05 -0.29 0.00 0.00 0.00 0.00 57.16 56.83 1za1 n GLU 272 Cb 0.41 -1.13 -0.16 0.00 0.00 0.00 0.00 31.44 30.56 1za1 n GLU 272 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1za1 s ILE 273 N -2.38 1.32 0.61 3.84 1.01 -1.26 0.41 121.20 124.76 1za1 s ILE 273 Ca -0.02 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.81 1za1 s ILE 273 Cb 0.03 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 1za1 s ILE 273 CO 0.23 0.26 1.09 0.00 0.00 0.00 0.00 174.94 176.52 1za1 s ALA 274 N 1.56 2.60 -1.53 9.38 0.00 -0.02 -4.30 121.76 129.46 1za1 s ALA 274 Ca 0.02 0.55 0.19 0.00 0.00 0.00 0.00 51.96 52.72 1za1 s ALA 274 Cb -0.14 -3.30 0.99 0.00 0.00 0.00 0.00 23.12 20.67 1za1 s ALA 274 CO -0.09 -1.01 1.57 0.25 0.00 0.00 0.00 175.76 176.49 1za1 n THR 275 N -2.06 0.36 0.37 0.00 -2.24 -1.26 -1.79 114.28 107.66 1za1 n THR 275 Ca 0.10 0.09 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 1za1 n THR 275 Cb 0.52 -0.78 0.25 0.00 -2.10 0.00 0.00 70.33 68.23 1za1 n THR 275 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1za1 h ASP 276 N 0.00 0.00 1.30 3.42 2.03 -1.94 -2.85 116.42 118.38 1za1 h ASP 276 Ca 0.00 -0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1za1 h ASP 276 Cb 0.15 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1za1 h ASP 276 CO 0.00 0.00 -0.03 0.58 -1.03 0.00 0.00 179.24 178.76 1za1 h VAL 277 N 0.00 0.07 -0.80 4.15 2.07 -1.70 -3.31 116.25 116.74 1za1 h VAL 277 Ca 0.00 -0.74 0.12 0.00 0.82 0.00 0.00 66.70 66.90 1za1 h VAL 277 Cb 0.90 1.69 -0.08 0.00 -1.52 0.00 0.00 31.29 32.28 1za1 h VAL 277 CO 0.00 0.03 0.41 0.44 0.02 0.00 0.00 177.57 178.47 1za1 h ASP 278 N 0.00 0.52 1.09 0.57 5.19 -1.66 -2.40 116.42 119.73 1za1 h ASP 278 Ca -0.00 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1za1 h ASP 278 Cb 0.69 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.19 1za1 h ASP 278 CO 0.00 0.26 0.00 0.29 -3.12 0.00 0.00 179.24 176.68 1za1 n LYS 279 N -4.85 0.08 -1.79 3.56 4.76 -1.24 -4.71 118.16 113.96 1za1 n LYS 279 Ca 0.14 0.09 -0.32 0.00 -2.87 0.00 0.00 58.31 55.36 1za1 n LYS 279 Cb 0.35 -1.60 0.03 0.00 -1.84 0.00 0.00 35.03 31.97 1za1 n LYS 279 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1za1 s THR 280 N -3.04 4.00 -1.38 -0.18 -4.23 -0.90 -4.91 115.64 105.01 1za1 s THR 280 Ca 0.12 0.77 0.18 0.00 -1.18 0.00 0.00 61.69 61.58 1za1 s THR 280 Cb 0.16 -3.43 0.30 0.00 1.34 0.00 0.00 72.50 70.87 1za1 s THR 280 CO 0.53 -0.74 1.56 -0.81 -0.54 0.00 0.00 174.62 174.62 1za1 n PRO 281 N -2.65 0.23 0.05 3.99 -0.04 -1.26 -2.59 135.00 132.73 1za1 n PRO 281 Ca 0.08 0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.62 1za1 n PRO 281 Cb 0.53 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 1za1 n PRO 281 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1za1 h HIS 282 N 0.00 0.00 -2.82 0.54 3.86 -1.88 -3.46 115.15 111.39 1za1 h HIS 282 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 1za1 h HIS 282 Cb 0.19 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.67 1za1 h HIS 282 CO 0.00 0.79 0.89 0.00 0.86 0.00 0.00 177.93 180.47 1za1 s ALA 283 N -2.79 3.64 0.00 2.45 0.00 -1.07 0.03 121.76 124.03 1za1 s ALA 283 Ca -0.01 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1za1 s ALA 283 Cb 0.09 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1za1 s ALA 283 CO 0.80 -0.95 0.86 1.87 0.00 0.00 0.00 175.76 178.35 1za1 n TRP 284 N 5.18 0.00 0.06 0.00 -0.00 -0.64 -4.86 117.44 117.19 1za1 n TRP 284 Ca 0.14 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.58 1za1 n TRP 284 Cb 0.42 0.01 0.12 0.00 -0.00 0.00 0.00 31.31 31.86 1za1 n TRP 284 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 1za1 h TYR 285 N 0.00 0.40 0.03 5.87 -0.00 -1.85 0.77 116.97 122.20 1za1 h TYR 285 Ca 0.00 -0.14 -0.24 0.00 -0.00 0.00 0.00 58.73 58.35 1za1 h TYR 285 Cb 1.30 -0.08 0.00 0.00 -0.00 0.00 0.00 36.73 37.95 1za1 h TYR 285 CO 0.02 0.81 -1.00 0.74 -0.00 0.00 0.00 178.16 178.73 1za1 h PHE 286 N 0.25 0.61 -0.16 0.10 0.04 -1.91 -1.46 116.94 114.41 1za1 h PHE 286 Ca 0.00 -0.35 -0.13 0.00 2.80 0.00 0.00 57.97 60.29 1za1 h PHE 286 Cb 1.06 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.14 1za1 h PHE 286 CO 0.03 1.19 -0.45 1.96 -0.60 0.00 0.00 178.31 180.43 1za1 h GLN 287 N 0.21 0.39 -0.03 1.51 7.50 -1.89 -0.26 115.11 122.55 1za1 h GLN 287 Ca -0.09 -0.21 -0.00 0.00 0.50 0.00 0.00 58.65 58.85 1za1 h GLN 287 Cb 1.65 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 29.19 1za1 h GLN 287 CO 0.17 0.77 0.02 0.37 -1.50 0.00 0.00 178.83 178.66 1za1 h GLN 288 N 0.32 0.03 -0.69 1.46 4.15 -0.67 -1.13 115.11 118.58 1za1 h GLN 288 Ca 0.02 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.50 1za1 h GLN 288 Cb 0.92 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.55 1za1 h GLN 288 CO 0.08 0.06 0.39 0.00 -1.93 0.00 0.00 178.83 177.43 1za1 h ALA 289 N 0.98 0.93 -0.93 3.38 0.00 -0.89 -0.12 119.26 122.61 1za1 h ALA 289 Ca 0.01 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1za1 h ALA 289 Cb 0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1za1 h ALA 289 CO -0.00 0.09 0.60 0.78 0.00 0.00 0.00 179.25 180.71 1za1 h GLY 290 N 0.73 1.38 2.00 0.00 0.00 -0.71 -0.31 103.07 106.15 1za1 h GLY 290 Ca 0.31 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1za1 h GLY 290 CO -0.18 0.28 0.00 3.43 0.00 0.00 0.00 176.54 180.07 1za1 h ASN 291 N 1.02 0.00 -0.62 0.19 -0.26 0.26 -2.50 115.58 113.68 1za1 h ASN 291 Ca 0.41 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 56.17 1za1 h ASN 291 Cb 0.26 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.49 1za1 h ASN 291 CO -0.17 0.00 0.41 1.23 -1.06 0.00 0.00 177.43 177.84 1za1 h GLY 292 N 1.24 0.84 1.07 2.83 0.00 -0.79 -1.89 103.07 106.38 1za1 h GLY 292 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 1za1 h GLY 292 CO 0.00 0.28 -0.01 0.16 0.00 0.00 0.00 176.54 176.97 1za1 h ILE 293 N 0.77 1.27 -0.26 2.60 3.07 -1.60 0.35 117.51 123.71 1za1 h ILE 293 Ca 0.24 -1.15 -0.14 0.00 1.55 0.00 0.00 64.86 65.35 1za1 h ILE 293 Cb 0.01 0.85 -0.01 0.00 -0.27 0.00 0.00 36.82 37.40 1za1 h ILE 293 CO -0.06 0.42 -0.42 -0.26 -1.05 0.00 0.00 178.15 176.77 1za1 h PHE 294 N 0.92 0.77 -0.26 0.16 0.04 -1.61 0.22 116.94 117.18 1za1 h PHE 294 Ca 0.16 -0.23 -0.19 0.00 2.80 0.00 0.00 57.97 60.51 1za1 h PHE 294 Cb 0.57 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1za1 h PHE 294 CO 0.04 0.96 -0.58 0.00 -0.60 0.00 0.00 178.31 178.12 1za1 h ALA 295 N 1.01 0.47 -0.06 2.45 0.00 -1.29 -1.74 119.26 120.10 1za1 h ALA 295 Ca 0.04 -0.53 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 1za1 h ALA 295 Cb 0.95 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1za1 h ALA 295 CO 0.09 0.68 -0.68 0.00 0.00 0.00 0.00 179.25 179.34 1za1 h ARG 296 N 0.63 0.29 -0.49 0.00 3.08 -0.77 -2.13 114.38 114.99 1za1 h ARG 296 Ca 0.00 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 1za1 h ARG 296 Cb 1.19 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 1za1 h ARG 296 CO 0.13 0.87 0.05 1.96 -1.07 0.00 0.00 179.97 181.91 1za1 h GLN 297 N 0.20 0.82 -0.12 0.04 4.20 -0.56 -2.19 115.11 117.51 1za1 h GLN 297 Ca -0.02 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 58.48 1za1 h GLN 297 Cb 1.23 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.89 1za1 h GLN 297 CO 0.11 0.84 -0.05 0.00 -0.67 0.00 0.00 178.83 179.06 1za1 h ALA 298 N 0.95 0.05 -0.18 3.87 0.00 -1.18 0.12 119.26 122.89 1za1 h ALA 298 Ca 0.14 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1za1 h ALA 298 Cb 0.43 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1za1 h ALA 298 CO 0.01 -0.51 0.09 1.25 0.00 0.00 0.00 179.25 180.10 1za1 h LEU 299 N -0.04 0.15 -0.43 0.00 5.85 -1.26 0.18 115.31 119.76 1za1 h LEU 299 Ca 0.06 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1za1 h LEU 299 Cb 0.13 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1za1 h LEU 299 CO -0.14 0.11 0.19 -0.07 -0.34 0.00 0.00 178.44 178.19 1za1 h LEU 300 N 0.20 0.58 0.45 2.25 3.38 -1.17 -0.93 115.31 120.07 1za1 h LEU 300 Ca 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1za1 h LEU 300 Cb 0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1za1 h LEU 300 CO -0.04 0.57 -0.49 0.00 0.09 0.00 0.00 178.44 178.57 1za1 h ALA 301 N 1.03 -1.09 -0.38 1.53 0.00 -0.30 0.77 119.26 120.83 1za1 h ALA 301 Ca 0.15 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1za1 h ALA 301 Cb 0.16 0.73 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1za1 h ALA 301 CO -0.01 -1.15 -0.02 -0.07 0.00 0.00 0.00 179.25 177.99 1za1 h LEU 302 N -0.96 -0.20 -0.93 0.00 3.38 -0.57 0.37 115.31 116.40 1za1 h LEU 302 Ca -0.05 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1za1 h LEU 302 Cb 0.85 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1za1 h LEU 302 CO -0.09 -0.06 -0.49 0.58 0.09 0.00 0.00 178.44 178.47 1za1 h VAL 303 N 0.08 1.22 0.00 1.22 2.07 -1.04 -3.22 116.25 116.57 1za1 h VAL 303 Ca 0.19 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1za1 h VAL 303 Cb 0.27 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1za1 h VAL 303 CO -0.33 0.48 -1.10 0.18 0.02 0.00 0.00 177.57 176.83 1za1 n LEU 304 N -3.76 0.61 -4.13 2.57 4.77 0.25 -0.88 117.00 116.43 1za1 n LEU 304 Ca -0.01 -0.37 -0.36 0.00 -0.03 0.00 0.00 56.01 55.24 1za1 n LEU 304 Cb 0.54 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.51 1za1 n LEU 304 CO 0.40 0.15 -0.19 0.21 -1.33 0.00 0.00 177.39 176.63 1za1 s ASN 305 N -3.04 5.23 0.09 -1.43 2.47 0.13 -4.98 114.94 113.40 1za1 s ASN 305 Ca 0.03 -1.92 -0.17 0.00 0.42 0.00 0.00 52.86 51.22 1za1 s ASN 305 Cb 0.13 -1.82 -0.04 0.00 -1.45 0.00 0.00 41.25 38.07 1za1 s ASN 305 CO 0.73 -0.51 1.12 -1.14 -3.72 0.00 0.00 177.10 173.58 1za1 n ARG 306 N 4.61 -0.24 -3.50 0.43 0.63 -1.26 -3.26 116.66 114.06 1za1 n ARG 306 Ca -0.04 1.10 -0.42 0.00 -0.92 0.00 0.00 57.85 57.58 1za1 n ARG 306 Cb 0.42 -1.63 -0.07 0.00 0.45 0.00 0.00 32.46 31.63 1za1 n ARG 306 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1za1 s ASP 307 N -4.57 5.90 -0.67 6.15 2.15 -1.26 -1.39 116.67 122.98 1za1 s ASP 307 Ca -0.06 -2.18 -0.26 0.00 0.43 0.00 0.00 52.55 50.47 1za1 s ASP 307 Cb 0.06 -2.05 -0.01 0.00 -0.30 0.00 0.00 42.92 40.61 1za1 s ASP 307 CO 0.33 -0.65 1.78 -0.22 -0.17 0.00 0.00 175.17 176.24 1za1 s LEU 308 N 0.96 3.26 -1.19 -1.34 2.96 -1.20 -4.87 118.68 117.26 1za1 s LEU 308 Ca 0.09 0.08 -0.21 0.00 -0.22 0.00 0.00 54.13 53.87 1za1 s LEU 308 Cb -0.23 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 1za1 s LEU 308 CO -0.02 -2.32 1.89 0.52 -1.32 0.00 0.00 176.35 175.10 1za1 n VAL 309 N 7.15 2.66 1.23 1.68 0.31 -1.26 -5.07 118.33 125.02 1za1 n VAL 309 Ca 0.20 -2.69 0.10 0.00 -0.01 0.00 0.00 64.34 61.94 1za1 n VAL 309 Cb 0.51 -2.28 0.58 0.00 -0.91 0.00 0.00 33.84 31.75 1za1 n VAL 309 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69