#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iti n ALA 2 N 0.00 0.12 -0.30 4.31 0.00 -1.26 -5.03 120.51 118.34 1iti n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iti n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1iti n ALA 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1iti n GLU 3 N 0.00 0.00 0.00 0.00 0.28 -1.26 -5.09 120.64 114.57 1iti n GLU 3 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1iti n GLU 3 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1iti n GLU 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1iti n ALA 4 N -2.05 0.00 -1.00 -1.84 0.00 -1.26 -5.01 120.51 109.34 1iti n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iti n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1iti n ALA 4 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1iti n HIS 5 N 0.00 -0.61 -2.75 0.00 8.25 -1.26 -5.00 115.22 113.85 1iti n HIS 5 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1iti n HIS 5 Cb 0.00 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.16 1iti n HIS 5 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1iti n LYS 6 N 0.00 1.12 -2.64 -0.41 5.02 -1.26 -4.52 118.16 115.47 1iti n LYS 6 Ca 0.00 -2.74 -0.38 0.00 -2.02 0.00 0.00 58.31 53.18 1iti n LYS 6 Cb 0.00 -0.94 -0.05 0.00 -0.02 0.00 0.00 35.03 34.02 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iti s ASP 8 N -1.45 6.95 0.19 0.00 2.15 -1.26 -4.84 116.67 118.42 1iti s ASP 8 Ca 0.52 1.17 0.04 0.00 0.43 0.00 0.00 52.55 54.70 1iti s ASP 8 Cb -0.23 -2.44 0.08 0.00 -0.30 0.00 0.00 42.92 40.03 1iti s ASP 8 CO 0.29 -0.33 1.44 -0.29 -0.17 0.00 0.00 175.17 176.11 1iti h ILE 9 N 5.09 1.48 -0.17 4.11 2.10 -1.99 -3.29 117.51 124.85 1iti h ILE 9 Ca -0.32 -2.47 0.04 0.00 1.08 0.00 0.00 64.86 63.19 1iti h ILE 9 Cb 1.15 2.35 -0.07 0.00 -1.09 0.00 0.00 36.82 39.16 1iti h ILE 9 CO 0.81 0.72 -0.43 0.74 -1.08 0.00 0.00 178.15 178.91 1iti h THR 10 N 0.10 0.12 -0.16 2.19 2.02 -1.99 0.77 112.91 115.97 1iti h THR 10 Ca -0.03 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.20 1iti h THR 10 Cb 1.39 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1iti h THR 10 CO 0.12 0.00 0.56 -0.07 0.37 0.00 0.00 175.52 176.49 1iti h LEU 11 N -0.48 0.00 0.01 2.58 3.38 -1.98 0.12 115.31 118.94 1iti h LEU 11 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1iti h LEU 11 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1iti h LEU 11 CO -0.43 0.00 -0.01 -0.61 0.09 0.00 0.00 178.44 177.49 1iti h GLN 12 N 0.00 -0.02 -0.31 1.13 4.15 0.41 -2.74 115.11 117.74 1iti h GLN 12 Ca 0.08 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.59 1iti h GLN 12 Cb 1.19 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 1iti h GLN 12 CO -0.00 -0.01 0.35 1.05 -1.93 0.00 0.00 178.83 178.29 1iti h GLU 13 N -0.32 0.00 0.37 1.69 4.11 -0.76 -1.93 114.58 117.74 1iti h GLU 13 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1iti h GLU 13 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1iti h GLU 13 CO 0.00 0.00 -0.18 0.82 0.07 0.00 0.00 179.01 179.72 1iti h ILE 14 N 0.00 0.40 -0.69 -1.06 2.04 -0.88 -2.48 117.51 114.84 1iti h ILE 14 Ca 0.15 -0.68 0.15 0.00 1.00 0.00 0.00 64.86 65.47 1iti h ILE 14 Cb 0.84 0.62 -0.12 0.00 -0.74 0.00 0.00 36.82 37.42 1iti h ILE 14 CO -0.00 0.09 -0.04 0.40 0.00 0.00 0.00 178.15 178.59 1iti h ILE 15 N -0.99 0.38 -0.70 -0.67 2.04 -1.03 0.30 117.51 116.85 1iti h ILE 15 Ca -0.05 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1iti h ILE 15 Cb 0.52 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 1iti h ILE 15 CO 0.08 0.01 0.36 0.50 0.00 0.00 0.00 178.15 179.11 1iti h LYS 16 N 0.08 0.62 -0.86 2.37 1.63 -1.50 -0.86 116.57 118.04 1iti h LYS 16 Ca 0.36 -0.04 0.08 0.00 -0.85 0.00 0.00 60.65 60.21 1iti h LYS 16 Cb 0.60 -0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 32.02 1iti h LYS 16 CO -0.63 0.41 0.52 1.15 -3.45 0.00 0.00 179.45 177.45 1iti h THR 17 N 0.64 0.98 -0.61 1.00 2.02 0.06 -1.33 112.91 115.66 1iti h THR 17 Ca 0.33 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 67.23 1iti h THR 17 Cb 0.30 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.66 1iti h THR 17 CO -0.23 0.16 0.38 -0.07 0.37 0.00 0.00 175.52 176.13 1iti h LEU 18 N 0.90 0.61 -0.78 2.58 3.38 -0.41 -1.89 115.31 119.71 1iti h LEU 18 Ca 0.40 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.45 1iti h LEU 18 Cb 0.28 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1iti h LEU 18 CO -0.21 0.43 0.44 0.78 0.09 0.00 0.00 178.44 179.97 1iti h ASN 19 N 0.74 0.65 -0.47 -0.43 -0.26 -0.87 0.55 115.58 115.49 1iti h ASN 19 Ca 0.25 0.04 0.04 0.00 -0.56 0.00 0.00 56.30 56.07 1iti h ASN 19 Cb 0.02 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.15 1iti h ASN 19 CO -0.10 0.39 0.23 0.28 -1.06 0.00 0.00 177.43 177.17 1iti h SER 20 N 0.78 0.33 -0.13 5.81 0.02 -0.98 -2.06 113.55 117.31 1iti h SER 20 Ca 0.36 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.32 1iti h SER 20 Cb 0.29 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1iti h SER 20 CO -0.22 0.23 0.01 -0.07 -1.14 0.00 0.00 176.83 175.64 1iti h LEU 21 N 0.45 0.21 -1.96 5.07 3.38 -0.94 -2.38 115.31 119.15 1iti h LEU 21 Ca 0.20 -0.28 0.26 0.00 0.09 0.00 0.00 57.88 58.15 1iti h LEU 21 Cb 0.12 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1iti h LEU 21 CO -0.15 0.44 0.69 0.71 0.09 0.00 0.00 178.44 180.22 1iti h THR 22 N -0.03 0.46 -0.02 0.22 1.35 -0.53 0.79 112.91 115.14 1iti h THR 22 Ca 0.04 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 65.75 1iti h THR 22 Cb 0.33 0.51 -0.02 0.00 -1.73 0.00 0.00 68.15 67.24 1iti h THR 22 CO 0.00 0.00 -0.66 -0.33 -0.25 0.00 0.00 175.52 174.29 1iti h GLU 23 N 0.00 0.10 -6.46 4.72 4.39 -0.84 -3.44 114.58 113.05 1iti h GLU 23 Ca 0.43 -0.08 -0.53 0.00 0.34 0.00 0.00 59.36 59.52 1iti h GLU 23 Cb 1.80 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.45 1iti h GLU 23 CO -0.00 0.72 -0.12 -0.65 -1.16 0.00 0.00 179.01 177.79 1iti s GLN 24 N -3.58 3.75 -0.42 2.33 -0.21 0.27 -5.06 119.66 116.74 1iti s GLN 24 Ca -0.02 0.20 0.05 0.00 0.02 0.00 0.00 55.36 55.61 1iti s GLN 24 Cb 0.12 -2.64 0.17 0.00 1.00 0.00 0.00 33.01 31.66 1iti s GLN 24 CO 0.78 0.28 0.49 0.15 -2.12 0.00 0.00 175.29 174.87 1iti s LYS 25 N -3.06 0.83 0.00 2.91 1.02 -1.26 -4.93 119.74 115.25 1iti s LYS 25 Ca 0.46 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 55.38 1iti s LYS 25 Cb -0.11 -0.57 0.00 0.00 -0.52 0.00 0.00 37.83 36.63 1iti s LYS 25 CO 0.24 -1.27 0.00 0.25 -0.92 0.00 0.00 175.35 173.65 1iti n THR 26 N 3.67 0.00 1.40 2.17 -2.24 -1.26 -4.97 114.28 113.06 1iti n THR 26 Ca 0.17 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.09 1iti n THR 26 Cb 0.50 -1.36 0.59 0.00 -2.10 0.00 0.00 70.33 67.97 1iti n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iti n LEU 27 N 0.00 0.53 0.00 3.22 -0.00 -1.26 -3.61 117.00 115.88 1iti n LEU 27 Ca 0.00 -0.02 0.04 0.00 -0.00 0.00 0.00 56.01 56.02 1iti n LEU 27 Cb 0.00 -0.17 0.23 0.00 -0.00 0.00 0.00 43.42 43.48 1iti n LEU 27 CO 0.00 0.10 0.48 0.00 -0.00 0.00 0.00 177.39 177.96 1iti n THR 29 N -0.72 1.79 0.13 0.00 -2.24 -1.24 -3.83 114.28 108.17 1iti n THR 29 Ca 0.06 -0.66 0.04 0.00 -2.27 0.00 0.00 64.05 61.23 1iti n THR 29 Cb 0.03 -1.74 0.23 0.00 -2.10 0.00 0.00 70.33 66.75 1iti n THR 29 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iti n GLU 30 N -3.49 0.06 -2.50 -0.78 -0.58 -1.10 -4.00 120.64 108.25 1iti n GLU 30 Ca -0.32 0.49 -0.42 0.00 -0.42 0.00 0.00 57.16 56.49 1iti n GLU 30 Cb 1.05 -2.05 -0.03 0.00 -0.57 0.00 0.00 31.44 29.83 1iti n GLU 30 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1iti s LEU 31 N -3.68 4.38 -0.19 -4.62 1.43 -1.25 -4.99 118.68 109.75 1iti s LEU 31 Ca -0.01 1.93 -0.23 0.00 -1.03 0.00 0.00 54.13 54.78 1iti s LEU 31 Cb 0.02 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 1iti s LEU 31 CO 0.08 -0.40 0.74 0.42 0.23 0.00 0.00 176.35 177.42 1iti s THR 32 N 0.98 4.94 0.73 5.49 -4.23 -1.26 -3.46 115.64 118.82 1iti s THR 32 Ca 0.56 1.43 0.01 0.00 -1.18 0.00 0.00 61.69 62.51 1iti s THR 32 Cb -0.27 -4.05 0.14 0.00 1.34 0.00 0.00 72.50 69.65 1iti s THR 32 CO 0.29 0.06 1.00 0.68 -0.54 0.00 0.00 174.62 176.10 1iti s VAL 33 N 2.10 2.05 -0.11 2.29 -7.23 0.10 -4.87 120.40 114.73 1iti s VAL 33 Ca 0.34 -0.65 -0.17 0.00 -1.81 0.00 0.00 61.98 59.68 1iti s VAL 33 Cb -0.16 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1iti s VAL 33 CO 0.11 0.00 0.45 -0.89 -0.31 0.00 0.00 175.10 174.46 1iti s THR 34 N -3.13 5.18 0.79 5.32 2.01 -1.26 -2.41 115.64 122.13 1iti s THR 34 Ca 0.67 0.90 -0.12 0.00 0.31 0.00 0.00 61.69 63.45 1iti s THR 34 Cb -0.04 -3.78 0.07 0.00 0.01 0.00 0.00 72.50 68.75 1iti s THR 34 CO 0.44 0.37 1.16 -0.62 -0.69 0.00 0.00 174.62 175.28 1iti s ASP 35 N 0.38 4.69 0.00 3.53 -1.08 -1.23 -4.85 116.67 118.11 1iti s ASP 35 Ca 0.25 0.88 0.00 0.00 -0.52 0.00 0.00 52.55 53.15 1iti s ASP 35 Cb -0.15 -1.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.86 1iti s ASP 35 CO 0.10 -1.80 0.00 2.30 0.52 0.00 0.00 175.17 176.29 1iti n ILE 36 N -3.26 0.00 0.65 4.11 -5.35 -1.26 -4.32 119.36 109.93 1iti n ILE 36 Ca 0.08 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.67 1iti n ILE 36 Cb 0.60 0.00 0.46 0.00 -1.74 0.00 0.00 39.64 38.96 1iti n ILE 36 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1iti n PHE 37 N -0.86 0.34 -0.28 4.28 3.72 -1.26 -2.65 117.46 120.74 1iti n PHE 37 Ca 0.00 0.11 0.01 0.00 -0.05 0.00 0.00 57.45 57.53 1iti n PHE 37 Cb 0.00 -0.69 0.24 0.00 -0.94 0.00 0.00 39.48 38.10 1iti n PHE 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iti n ALA 38 N -1.61 3.60 -1.41 4.37 0.00 -1.26 -3.86 120.51 120.35 1iti n ALA 38 Ca 0.05 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1iti n ALA 38 Cb 0.28 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1iti n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iti n ALA 39 N 0.25 0.57 -1.53 0.00 0.00 -1.09 -4.75 120.51 113.96 1iti n ALA 39 Ca 0.22 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1iti n ALA 39 Cb 0.94 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.29 1iti n ALA 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1iti n SER 40 N 0.00 1.16 -0.06 0.00 7.64 -1.22 -4.57 113.62 116.56 1iti n SER 40 Ca 0.00 -2.05 -0.22 0.00 1.01 0.00 0.00 58.87 57.61 1iti n SER 40 Cb 0.39 -1.60 -0.12 0.00 -1.01 0.00 0.00 64.21 61.87 1iti n SER 40 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1iti n LYS 41 N 8.01 0.67 -3.00 1.43 4.76 -1.26 -4.74 118.16 124.02 1iti n LYS 41 Ca 0.41 0.34 -0.14 0.00 -2.87 0.00 0.00 58.31 56.05 1iti n LYS 41 Cb 0.45 -1.67 0.02 0.00 -1.84 0.00 0.00 35.03 31.99 1iti n LYS 41 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1iti n ASP 42 N -3.84 -0.43 -3.76 4.39 5.75 -1.26 -5.10 116.55 112.30 1iti n ASP 42 Ca -0.37 -3.28 -0.13 0.00 -0.01 0.00 0.00 54.79 51.00 1iti n ASP 42 Cb 0.91 0.40 -0.13 0.00 -1.03 0.00 0.00 41.12 41.27 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1iti s THR 43 N -1.36 -0.03 0.17 2.12 -4.23 -1.26 -5.13 115.64 105.92 1iti s THR 43 Ca 0.33 0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.92 1iti s THR 43 Cb 0.33 -0.30 0.04 0.00 1.34 0.00 0.00 72.50 73.90 1iti s THR 43 CO -0.07 0.04 0.23 0.35 -0.54 0.00 0.00 174.62 174.64 1iti n THR 44 N 3.82 0.00 -0.01 3.99 -2.24 -1.26 -4.82 114.28 113.76 1iti n THR 44 Ca -0.22 -0.20 0.05 0.00 -2.27 0.00 0.00 64.05 61.42 1iti n THR 44 Cb 0.54 -1.79 0.44 0.00 -2.10 0.00 0.00 70.33 67.42 1iti n THR 44 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1iti h GLU 45 N 0.00 0.52 0.00 -0.78 3.07 -2.01 -2.57 114.58 112.80 1iti h GLU 45 Ca -0.07 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1iti h GLU 45 Cb 0.22 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1iti h GLU 45 CO 0.06 0.34 0.00 1.63 -1.40 0.00 0.00 179.01 179.64 1iti n LYS 46 N -4.48 0.00 -0.34 2.33 4.76 -1.26 -0.60 118.16 118.58 1iti n LYS 46 Ca 0.04 0.57 0.14 0.00 -2.87 0.00 0.00 58.31 56.19 1iti n LYS 46 Cb 0.10 -1.24 0.36 0.00 -1.84 0.00 0.00 35.03 32.41 1iti n LYS 46 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1iti h GLU 47 N 0.00 0.68 -0.83 1.97 4.39 -1.91 0.10 114.58 118.99 1iti h GLU 47 Ca 0.00 -0.04 0.16 0.00 0.34 0.00 0.00 59.36 59.82 1iti h GLU 47 Cb 0.00 -0.15 -0.10 0.00 -0.10 0.00 0.00 28.75 28.40 1iti h GLU 47 CO 0.00 0.45 0.38 1.15 -1.16 0.00 0.00 179.01 179.83 1iti h THR 48 N 0.70 0.66 -0.47 1.13 2.02 -0.80 0.30 112.91 116.44 1iti h THR 48 Ca 0.57 -0.18 -0.13 0.00 0.77 0.00 0.00 66.41 67.44 1iti h THR 48 Cb 0.97 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1iti h THR 48 CO -0.35 0.10 -0.22 -0.26 0.37 0.00 0.00 175.52 175.16 1iti h PHE 49 N 0.52 1.13 0.71 3.16 0.04 0.17 -2.05 116.94 120.61 1iti h PHE 49 Ca 0.46 -0.28 -0.03 0.00 2.80 0.00 0.00 57.97 60.92 1iti h PHE 49 Cb 0.72 -0.26 0.01 0.00 2.20 0.00 0.00 35.95 38.62 1iti h PHE 49 CO -0.13 1.10 -0.34 0.00 -0.60 0.00 0.00 178.31 178.34 1iti h ARG 51 N -1.23 0.33 -0.27 0.00 3.08 -0.58 0.23 114.38 115.95 1iti h ARG 51 Ca -0.10 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.95 1iti h ARG 51 Cb 0.74 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 1iti h ARG 51 CO 0.16 0.22 0.14 0.00 -1.07 0.00 0.00 179.97 179.42 1iti h ALA 52 N 1.68 0.32 -0.75 0.04 0.00 -1.26 -2.24 119.26 117.04 1iti h ALA 52 Ca 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.37 1iti h ALA 52 Cb 0.92 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1iti h ALA 52 CO -0.53 -0.25 0.29 0.00 0.00 0.00 0.00 179.25 178.76 1iti h ALA 53 N 1.13 0.98 -0.65 0.00 0.00 0.26 -2.60 119.26 118.37 1iti h ALA 53 Ca 0.11 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.96 1iti h ALA 53 Cb 0.02 -0.29 -0.10 0.00 0.00 0.00 0.00 17.79 17.42 1iti h ALA 53 CO -0.07 0.61 0.08 1.15 0.00 0.00 0.00 179.25 181.02 1iti h THR 54 N 1.09 0.53 0.90 0.00 2.02 -0.09 0.20 112.91 117.55 1iti h THR 54 Ca 0.25 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 1iti h THR 54 Cb 0.23 0.32 0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1iti h THR 54 CO -0.02 0.04 -0.43 0.58 0.37 0.00 0.00 175.52 176.05 1iti h VAL 55 N 0.19 0.00 -1.18 3.16 2.07 -1.12 -2.18 116.25 117.19 1iti h VAL 55 Ca 0.35 -0.11 0.34 0.00 0.82 0.00 0.00 66.70 68.10 1iti h VAL 55 Cb 0.57 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 1iti h VAL 55 CO -0.50 0.00 0.84 -0.07 0.02 0.00 0.00 177.57 177.86 1iti h LEU 56 N -1.33 0.06 0.11 2.57 3.38 -1.09 -0.52 115.31 118.50 1iti h LEU 56 Ca -0.12 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1iti h LEU 56 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1iti h LEU 56 CO 0.20 0.01 -0.05 -0.09 0.09 0.00 0.00 178.44 178.60 1iti h ARG 57 N 0.05 -0.14 0.00 1.13 2.43 -0.01 -2.45 114.38 115.40 1iti h ARG 57 Ca 0.58 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.76 1iti h ARG 57 Cb 2.20 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.78 1iti h ARG 57 CO -0.05 -0.09 0.00 0.00 -1.51 0.00 0.00 179.97 178.32 1iti n GLN 58 N -2.45 0.11 0.00 0.20 -0.00 -0.80 -1.64 117.38 112.80 1iti n GLN 58 Ca -0.02 0.06 0.00 0.00 -0.00 0.00 0.00 57.00 57.04 1iti n GLN 58 Cb 0.06 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 28.80 1iti n GLN 58 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1iti n PHE 59 N -1.07 0.00 1.05 2.61 7.35 -0.27 -3.28 117.46 123.85 1iti n PHE 59 Ca 0.03 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.82 1iti n PHE 59 Cb 0.02 -0.22 0.53 0.00 0.35 0.00 0.00 39.48 40.16 1iti n PHE 59 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 1iti n TYR 60 N -1.55 0.00 0.01 -5.13 0.18 -0.99 -1.65 117.16 108.04 1iti n TYR 60 Ca 0.00 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.56 1iti n TYR 60 Cb 0.00 -0.19 -0.14 0.00 -0.38 0.00 0.00 39.34 38.63 1iti n TYR 60 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 1iti h SER 61 N 0.00 0.43 0.00 9.48 0.02 -1.49 -3.26 113.55 118.73 1iti h SER 61 Ca 0.00 -0.91 -0.13 0.00 -0.84 0.00 0.00 61.79 59.91 1iti h SER 61 Cb 0.12 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1iti h SER 61 CO 0.00 1.80 -0.95 1.41 -1.14 0.00 0.00 176.83 177.95 1iti n HIS 62 N -3.62 0.96 -0.12 3.45 8.25 -1.16 -4.22 115.22 118.75 1iti n HIS 62 Ca -0.30 0.41 -0.05 0.00 -0.26 0.00 0.00 57.72 57.53 1iti n HIS 62 Cb 1.01 -0.95 0.02 0.00 1.12 0.00 0.00 29.99 31.19 1iti n HIS 62 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1iti h HIS 63 N -1.00 -0.15 0.00 4.41 3.86 -1.51 0.37 115.15 121.13 1iti h HIS 63 Ca -0.20 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1iti h HIS 63 Cb 0.95 0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1iti h HIS 63 CO -0.05 -0.14 0.61 1.49 0.86 0.00 0.00 177.93 180.70 1iti h GLU 64 N 0.03 0.00 0.00 2.45 4.22 -1.70 1.20 114.58 120.78 1iti h GLU 64 Ca 0.20 0.00 -0.26 0.00 0.08 0.00 0.00 59.36 59.38 1iti h GLU 64 Cb 0.30 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1iti h GLU 64 CO -0.39 0.00 -1.78 1.63 -2.18 0.00 0.00 179.01 176.29 1iti n LYS 65 N -2.59 0.64 -2.22 1.92 5.02 0.13 -4.89 118.16 116.17 1iti n LYS 65 Ca -0.01 0.19 -0.41 0.00 -2.02 0.00 0.00 58.31 56.06 1iti n LYS 65 Cb 0.64 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 1iti n LYS 65 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1iti s ASP 66 N -5.81 6.91 0.00 4.39 -1.08 0.41 -4.86 116.67 116.63 1iti s ASP 66 Ca -0.05 2.48 0.00 0.00 -0.52 0.00 0.00 52.55 54.45 1iti s ASP 66 Cb 0.08 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1iti s ASP 66 CO 0.83 -0.47 0.92 0.35 0.52 0.00 0.00 175.17 177.31 1iti n THR 67 N 1.83 0.91 -0.01 1.71 -2.24 -1.26 -4.06 114.28 111.15 1iti n THR 67 Ca 0.03 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1iti n THR 67 Cb 0.43 -0.96 -0.00 0.00 -2.10 0.00 0.00 70.33 67.70 1iti n THR 67 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1iti n ARG 68 N 0.53 0.06 0.00 -0.78 5.12 -1.26 -3.60 116.66 116.72 1iti n ARG 68 Ca 0.00 0.20 0.04 0.00 -1.93 0.00 0.00 57.85 56.15 1iti n ARG 68 Cb 0.46 -0.78 0.22 0.00 -1.16 0.00 0.00 32.46 31.20 1iti n ARG 68 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iti n LEU 70 N -0.95 1.88 0.00 0.00 4.77 -1.26 -4.78 117.00 116.65 1iti n LEU 70 Ca 0.06 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1iti n LEU 70 Cb 0.03 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 1iti n LEU 70 CO 0.04 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1iti n GLY 71 N 1.42 0.52 0.00 -0.72 0.00 -1.07 -3.82 105.19 101.52 1iti n GLY 71 Ca -0.32 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1iti n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iti n ALA 72 N 7.72 1.06 -1.70 4.61 0.00 -1.26 -4.97 120.51 125.96 1iti n ALA 72 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1iti n ALA 72 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1iti n ALA 72 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iti n THR 73 N -1.13 3.48 0.56 0.00 -2.24 -1.26 -4.85 114.28 108.84 1iti n THR 73 Ca 0.00 -0.50 0.12 0.00 -2.27 0.00 0.00 64.05 61.40 1iti n THR 73 Cb 0.00 -1.50 0.45 0.00 -2.10 0.00 0.00 70.33 67.18 1iti n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iti n ALA 74 N -0.99 1.99 0.09 6.98 0.00 -1.26 -1.70 120.51 125.61 1iti n ALA 74 Ca 0.10 0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.32 1iti n ALA 74 Cb 0.44 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.32 1iti n ALA 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1iti h GLN 75 N 0.00 0.42 0.00 0.00 3.07 -1.98 -3.14 115.11 113.48 1iti h GLN 75 Ca 0.00 -0.72 -0.19 0.00 0.09 0.00 0.00 58.65 57.83 1iti h GLN 75 Cb 0.52 0.27 -0.03 0.00 0.08 0.00 0.00 27.48 28.33 1iti h GLN 75 CO 0.00 1.35 -0.94 0.37 0.09 0.00 0.00 178.83 179.70 1iti h GLN 76 N 0.04 0.00 -0.46 0.06 4.15 -1.88 -2.70 115.11 114.31 1iti h GLN 76 Ca -0.30 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.06 1iti h GLN 76 Cb 2.05 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.72 1iti h GLN 76 CO 0.20 0.87 0.05 0.35 -1.93 0.00 0.00 178.83 178.37 1iti h PHE 77 N 0.00 0.84 0.06 3.99 3.57 -1.43 -2.06 116.94 121.92 1iti h PHE 77 Ca -0.02 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 1iti h PHE 77 Cb 1.70 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.22 1iti h PHE 77 CO 0.00 0.80 -0.03 1.25 -2.23 0.00 0.00 178.31 178.10 1iti h HIS 78 N 0.64 -0.08 -0.98 0.41 2.76 -1.61 -1.56 115.15 114.74 1iti h HIS 78 Ca 0.14 -0.00 0.28 0.00 -2.20 0.00 0.00 60.37 58.59 1iti h HIS 78 Cb 0.43 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.37 1iti h HIS 78 CO 0.03 0.46 0.70 -0.09 -1.30 0.00 0.00 177.93 177.74 1iti h ARG 79 N -0.68 0.00 0.11 5.26 2.43 -1.48 0.15 114.38 120.16 1iti h ARG 79 Ca -0.01 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 1iti h ARG 79 Cb 0.57 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1iti h ARG 79 CO 0.01 0.00 -0.76 1.25 -1.51 0.00 0.00 179.97 178.96 1iti h HIS 80 N 0.00 0.41 -0.35 2.20 2.76 -1.24 -3.28 115.15 115.65 1iti h HIS 80 Ca 0.46 -0.30 0.07 0.00 -2.20 0.00 0.00 60.37 58.41 1iti h HIS 80 Cb 1.86 -0.02 -0.07 0.00 1.55 0.00 0.00 27.41 30.74 1iti h HIS 80 CO -0.00 1.29 -0.07 0.87 -1.30 0.00 0.00 177.93 178.72 1iti h LYS 81 N -0.50 0.02 -0.97 5.26 1.79 0.04 0.78 116.57 122.98 1iti h LYS 81 Ca -0.15 -0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.53 1iti h LYS 81 Cb 1.53 -0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 32.09 1iti h LYS 81 CO 0.10 0.01 0.62 0.37 -1.08 0.00 0.00 179.45 179.46 1iti h GLN 82 N 0.02 0.54 0.57 3.15 4.15 -1.41 -1.02 115.11 121.10 1iti h GLN 82 Ca 0.17 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 1iti h GLN 82 Cb 0.25 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 27.83 1iti h GLN 82 CO -0.35 0.36 -0.27 1.25 -1.93 0.00 0.00 178.83 177.88 1iti h LEU 83 N 0.55 -0.65 -0.56 -2.39 6.46 -0.91 -2.67 115.31 115.15 1iti h LEU 83 Ca 0.54 -0.00 0.11 0.00 -0.12 0.00 0.00 57.88 58.40 1iti h LEU 83 Cb 1.12 0.17 -0.09 0.00 -0.73 0.00 0.00 40.66 41.13 1iti h LEU 83 CO -0.28 -0.42 0.04 0.40 -0.62 0.00 0.00 178.44 177.56 1iti h ILE 84 N -0.82 0.59 -0.63 4.05 1.08 -0.84 -0.63 117.51 120.31 1iti h ILE 84 Ca -0.08 -0.06 0.13 0.00 -0.39 0.00 0.00 64.86 64.46 1iti h ILE 84 Cb 0.61 0.41 -0.12 0.00 -3.07 0.00 0.00 36.82 34.65 1iti h ILE 84 CO 0.13 0.03 -0.15 0.03 -0.69 0.00 0.00 178.15 177.50 1iti h ARG 85 N 0.16 0.01 0.47 2.37 2.47 -1.09 0.14 114.38 118.91 1iti h ARG 85 Ca 0.29 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.99 1iti h ARG 85 Cb 0.45 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1iti h ARG 85 CO -0.44 0.00 -0.29 0.74 0.56 0.00 0.00 179.97 180.55 1iti h PHE 86 N 0.01 -0.75 -0.47 3.04 0.04 -0.80 -1.49 116.94 116.52 1iti h PHE 86 Ca 0.30 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 61.16 1iti h PHE 86 Cb 0.47 0.27 -0.09 0.00 2.20 0.00 0.00 35.95 38.79 1iti h PHE 86 CO -0.51 -0.44 -0.15 -0.07 -0.60 0.00 0.00 178.31 176.55 1iti h LEU 87 N -0.72 -0.52 -2.37 1.54 3.38 -0.63 0.79 115.31 116.79 1iti h LEU 87 Ca -0.05 0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1iti h LEU 87 Cb 0.59 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1iti h LEU 87 CO 0.06 -0.18 0.14 0.11 0.09 0.00 0.00 178.44 178.66 1iti h LYS 88 N -0.04 0.00 0.00 1.13 1.57 -0.47 0.66 116.57 119.43 1iti h LYS 88 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1iti h LYS 88 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1iti h LYS 88 CO -0.50 0.00 -0.01 -0.09 -0.57 0.00 0.00 179.45 178.28 1iti h ARG 89 N 0.00 0.00 0.00 3.15 2.43 0.16 -3.30 114.38 116.83 1iti h ARG 89 Ca 0.05 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1iti h ARG 89 Cb 0.34 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1iti h ARG 89 CO -0.00 0.00 -0.00 1.37 -1.51 0.00 0.00 179.97 179.82 1iti h LEU 90 N -0.32 0.00 -1.09 3.80 8.10 -1.01 -1.61 115.31 123.18 1iti h LEU 90 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 1iti h LEU 90 Cb 0.01 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.19 1iti h LEU 90 CO 0.00 0.00 0.40 -0.78 -4.11 0.00 0.00 178.44 173.96 1iti h ASP 91 N 0.00 0.93 0.70 0.17 3.58 0.23 -2.56 116.42 119.47 1iti h ASP 91 Ca -0.00 -0.08 -0.26 0.00 0.42 0.00 0.00 57.03 57.11 1iti h ASP 91 Cb 0.07 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 40.85 1iti h ASP 91 CO 0.00 0.75 -1.38 0.03 -2.88 0.00 0.00 179.24 175.76 1iti h ARG 92 N 1.04 0.04 -0.23 0.28 2.47 -1.37 -3.31 114.38 113.29 1iti h ARG 92 Ca 0.26 -0.06 0.05 0.00 -1.26 0.00 0.00 59.98 58.98 1iti h ARG 92 Cb 0.03 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.32 1iti h ARG 92 CO -0.04 0.80 -0.13 -0.91 0.56 0.00 0.00 179.97 180.25 1iti h ASN 93 N 0.01 -0.42 0.52 7.04 -0.26 -1.11 0.41 115.58 121.76 1iti h ASN 93 Ca -0.16 0.10 -0.02 0.00 -0.56 0.00 0.00 56.30 55.65 1iti h ASN 93 Cb 1.91 0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 39.40 1iti h ASN 93 CO 0.11 -0.16 -0.32 -0.07 -1.06 0.00 0.00 177.43 175.93 1iti h LEU 94 N -0.10 -0.80 -0.27 1.61 3.38 -1.62 -0.00 115.31 117.50 1iti h LEU 94 Ca 0.13 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1iti h LEU 94 Cb 0.30 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1iti h LEU 94 CO -0.30 -0.49 0.24 1.87 0.09 0.00 0.00 178.44 179.85 1iti n TRP 95 N -4.35 0.14 0.00 1.13 -0.00 -1.11 -2.26 117.44 110.99 1iti n TRP 95 Ca -0.10 0.07 0.00 0.00 -0.00 0.00 0.00 57.50 57.48 1iti n TRP 95 Cb 0.32 -0.41 0.00 0.00 -0.00 0.00 0.00 31.31 31.23 1iti n TRP 95 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1iti n GLY 96 N -1.29 -0.98 0.00 5.87 0.00 0.12 -3.20 105.19 105.71 1iti n GLY 96 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iti n GLY 96 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1iti n LEU 97 N -1.99 0.00 0.00 0.99 -0.00 -0.96 -3.11 117.00 111.94 1iti n LEU 97 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1iti n LEU 97 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1iti n LEU 97 CO 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 177.39 177.32 1iti n ALA 98 N -1.07 0.00 -0.96 1.47 0.00 -1.01 -4.96 120.51 113.98 1iti n ALA 98 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1iti n ALA 98 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1iti n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iti n GLY 99 N 2.17 0.46 3.76 0.00 0.00 -1.18 -5.02 105.19 105.38 1iti n GLY 99 Ca 0.00 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 1iti n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iti s LEU 100 N 0.00 4.50 -0.11 0.99 1.43 -1.26 -4.99 118.68 119.24 1iti s LEU 100 Ca 0.00 1.49 -0.09 0.00 -1.03 0.00 0.00 54.13 54.50 1iti s LEU 100 Cb 0.00 -3.22 -0.03 0.00 0.03 0.00 0.00 46.19 42.97 1iti s LEU 100 CO 0.00 0.10 -0.17 0.59 0.23 0.00 0.00 176.35 177.10 1iti n ASN 101 N 2.34 1.37 -4.63 2.29 3.02 -1.26 -4.85 115.26 113.54 1iti n ASN 101 Ca -0.04 0.46 -0.40 0.00 -0.03 0.00 0.00 54.58 54.57 1iti n ASN 101 Cb 0.50 -0.75 -0.06 0.00 -0.61 0.00 0.00 39.78 38.85 1iti n ASN 101 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1iti s SER 102 N -5.24 6.56 -0.45 6.41 0.01 -1.26 -4.95 113.70 114.79 1iti s SER 102 Ca -0.14 0.69 0.07 0.00 1.31 0.00 0.00 55.95 57.88 1iti s SER 102 Cb 0.02 -2.33 0.26 0.00 0.21 0.00 0.00 66.02 64.18 1iti s SER 102 CO 0.21 -0.35 0.82 0.00 0.41 0.00 0.00 173.24 174.32 1iti s PRO 104 N -0.07 2.85 0.58 0.00 0.05 -1.26 -4.93 135.00 132.22 1iti s PRO 104 Ca 0.32 1.89 0.02 0.00 0.05 0.00 0.00 61.00 63.28 1iti s PRO 104 Cb 0.23 -1.90 0.06 0.00 0.05 0.00 0.00 34.50 32.93 1iti s PRO 104 CO -0.17 -1.32 0.80 0.54 0.05 0.00 0.00 177.00 176.90 1iti s VAL 105 N -1.54 2.54 0.00 -0.36 0.11 -1.26 -5.03 120.40 114.86 1iti s VAL 105 Ca 0.79 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1iti s VAL 105 Cb -0.32 -2.84 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 1iti s VAL 105 CO 0.35 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 173.29 1iti n LYS 106 N -2.40 0.00 -1.02 1.54 4.81 -1.26 -5.17 118.16 114.66 1iti n LYS 106 Ca 0.10 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.50 1iti n LYS 106 Cb 0.60 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.67 1iti n LYS 106 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1iti n GLU 107 N 0.00 0.57 0.00 1.64 1.02 -1.26 -5.12 120.64 117.49 1iti n GLU 107 Ca 0.00 -0.48 0.00 0.00 -0.02 0.00 0.00 57.16 56.66 1iti n GLU 107 Cb 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.32 1iti n GLU 107 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iti n ALA 108 N -2.97 0.00 -1.00 0.62 0.00 -1.26 -5.01 120.51 110.89 1iti n ALA 108 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1iti n ALA 108 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1iti n ALA 108 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iti n ASP 109 N 0.00 0.00 -3.79 0.00 9.92 -1.26 -4.81 116.55 116.61 1iti n ASP 109 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 1iti n ASP 109 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 1iti n ASP 109 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1iti s GLN 110 N 0.00 0.59 0.16 -1.24 0.74 -1.26 -3.55 119.66 115.10 1iti s GLN 110 Ca 0.00 -0.22 -0.22 0.00 0.05 0.00 0.00 55.36 54.97 1iti s GLN 110 Cb 0.00 0.26 0.06 0.00 1.10 0.00 0.00 33.01 34.43 1iti s GLN 110 CO 0.00 -0.15 0.58 -1.54 -0.55 0.00 0.00 175.29 173.62 1iti s SER 111 N -1.26 -0.51 0.17 6.67 1.04 -1.01 -4.74 113.70 114.06 1iti s SER 111 Ca -0.13 -0.07 -0.18 0.00 0.48 0.00 0.00 55.95 56.04 1iti s SER 111 Cb -0.06 0.59 -0.08 0.00 0.10 0.00 0.00 66.02 66.58 1iti s SER 111 CO 0.03 -0.97 0.64 0.42 0.98 0.00 0.00 173.24 174.35 1iti s THR 112 N -3.77 4.68 0.56 2.02 -4.23 -1.26 0.01 115.64 113.65 1iti s THR 112 Ca 0.02 1.14 0.36 0.00 -1.18 0.00 0.00 61.69 62.03 1iti s THR 112 Cb -0.01 -3.84 0.53 0.00 1.34 0.00 0.00 72.50 70.52 1iti s THR 112 CO -0.12 0.29 1.76 0.25 -0.54 0.00 0.00 174.62 176.26 1iti h LEU 113 N 3.68 0.00 0.00 4.79 5.85 -1.69 0.28 115.31 128.22 1iti h LEU 113 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1iti h LEU 113 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1iti h LEU 113 CO 0.65 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 179.96 1iti n GLU 114 N -4.01 0.00 -0.20 1.25 2.13 -1.26 -2.11 120.64 116.44 1iti n GLU 114 Ca 0.24 0.33 0.01 0.00 0.66 0.00 0.00 57.16 58.40 1iti n GLU 114 Cb 1.23 -1.10 0.11 0.00 0.27 0.00 0.00 31.44 31.95 1iti n GLU 114 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1iti h ASN 115 N 0.00 -0.06 -0.85 4.31 -0.26 -1.84 0.79 115.58 117.67 1iti h ASN 115 Ca 0.00 0.12 0.21 0.00 -0.56 0.00 0.00 56.30 56.07 1iti h ASN 115 Cb 0.00 0.18 -0.13 0.00 -1.06 0.00 0.00 38.32 37.31 1iti h ASN 115 CO 0.00 -0.02 0.28 0.15 -1.06 0.00 0.00 177.43 176.77 1iti h PHE 116 N 0.22 0.44 -0.13 1.19 3.04 -0.57 0.75 116.94 121.88 1iti h PHE 116 Ca 0.32 0.05 -0.09 0.00 3.98 0.00 0.00 57.97 62.22 1iti h PHE 116 Cb 0.49 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 1iti h PHE 116 CO -0.27 -0.12 -0.32 -0.07 -2.02 0.00 0.00 178.31 175.50 1iti h LEU 117 N 0.29 0.25 0.16 0.59 3.38 -0.31 -2.27 115.31 117.40 1iti h LEU 117 Ca 0.52 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 1iti h LEU 117 Cb 0.99 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1iti h LEU 117 CO -0.58 0.57 -0.08 -0.08 0.09 0.00 0.00 178.44 178.37 1iti h GLU 118 N 0.22 -0.20 -1.06 1.13 4.81 0.12 0.12 114.58 119.72 1iti h GLU 118 Ca 0.03 0.01 0.28 0.00 -0.13 0.00 0.00 59.36 59.55 1iti h GLU 118 Cb 0.69 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 30.01 1iti h GLU 118 CO 0.05 -0.14 0.67 0.07 -0.73 0.00 0.00 179.01 178.94 1iti h ARG 119 N -0.24 0.37 0.78 1.92 0.11 -1.40 0.18 114.38 116.10 1iti h ARG 119 Ca -0.02 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.00 1iti h ARG 119 Cb 0.16 -0.08 0.01 0.00 1.11 0.00 0.00 29.97 31.17 1iti h ARG 119 CO 0.04 0.25 -0.37 1.25 0.10 0.00 0.00 179.97 181.23 1iti h LEU 120 N 0.39 -0.89 -1.29 0.08 6.46 -1.23 0.13 115.31 118.96 1iti h LEU 120 Ca 0.63 0.03 0.13 0.00 -0.12 0.00 0.00 57.88 58.54 1iti h LEU 120 Cb 1.58 0.23 -0.07 0.00 -0.73 0.00 0.00 40.66 41.67 1iti h LEU 120 CO -0.34 -0.52 0.57 0.50 -0.62 0.00 0.00 178.44 178.03 1iti h LYS 121 N -1.26 0.70 0.25 1.25 3.64 0.53 -0.56 116.57 121.11 1iti h LYS 121 Ca -0.11 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1iti h LYS 121 Cb 0.81 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1iti h LYS 121 CO 0.18 0.46 -0.12 1.15 -2.27 0.00 0.00 179.45 178.85 1iti h THR 122 N 0.72 0.81 -0.24 1.00 2.02 -0.52 -2.35 112.91 114.35 1iti h THR 122 Ca 0.43 -0.55 0.05 0.00 0.77 0.00 0.00 66.41 67.11 1iti h THR 122 Cb 0.65 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 68.12 1iti h THR 122 CO -0.19 0.12 -0.11 0.40 0.37 0.00 0.00 175.52 176.10 1iti h ILE 123 N -0.63 0.64 -0.03 3.11 2.04 0.01 0.03 117.51 122.67 1iti h ILE 123 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1iti h ILE 123 Cb 0.45 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1iti h ILE 123 CO 0.06 0.00 -0.34 0.24 0.00 0.00 0.00 178.15 178.11 1iti h MET 124 N -0.08 -0.39 -0.72 2.37 2.86 -1.10 0.32 114.93 118.20 1iti h MET 124 Ca 0.13 0.03 0.21 0.00 -2.06 0.00 0.00 59.70 58.00 1iti h MET 124 Cb 0.28 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1iti h MET 124 CO -0.30 -0.26 0.57 0.00 1.06 0.00 0.00 176.91 177.98 1iti h ARG 125 N -0.40 0.00 0.52 1.72 3.08 -1.13 0.26 114.38 118.43 1iti h ARG 125 Ca 0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1iti h ARG 125 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.50 1iti h ARG 125 CO -0.24 0.00 -0.25 1.49 -1.07 0.00 0.00 179.97 179.90 1iti h GLU 126 N 0.00 -0.67 0.00 0.04 4.81 0.16 -2.81 114.58 116.11 1iti h GLU 126 Ca 0.34 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1iti h GLU 126 Cb 1.47 0.15 0.00 0.00 0.63 0.00 0.00 28.75 31.01 1iti h GLU 126 CO -0.00 -0.37 0.00 1.63 -0.73 0.00 0.00 179.01 179.53 1iti n LYS 127 N -5.26 0.23 0.05 1.92 5.02 -0.02 -2.23 118.16 117.87 1iti n LYS 127 Ca -0.10 0.12 0.13 0.00 -2.02 0.00 0.00 58.31 56.44 1iti n LYS 127 Cb 0.31 -1.50 0.51 0.00 -0.02 0.00 0.00 35.03 34.33 1iti n LYS 127 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1iti n TYR 128 N -1.31 0.42 0.58 2.13 4.19 0.82 -3.62 117.16 120.37 1iti n TYR 128 Ca 0.08 0.13 0.00 0.00 3.31 0.00 0.00 57.90 61.42 1iti n TYR 128 Cb 0.15 -0.70 0.00 0.00 0.49 0.00 0.00 39.34 39.28 1iti n TYR 128 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 1iti n SER 129 N -1.85 2.38 0.00 2.98 3.41 -0.95 -4.10 113.62 115.50 1iti n SER 129 Ca 0.06 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 1iti n SER 129 Cb 0.36 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1iti n SER 129 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1iti n LYS 130 N 0.77 0.00 -0.29 4.33 2.85 -1.24 -4.58 118.16 120.01 1iti n LYS 130 Ca 0.00 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.33 1iti n LYS 130 Cb 0.36 -0.00 0.22 0.00 -0.65 0.00 0.00 35.03 34.95 1iti n LYS 130 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iti n SER 132 N 0.80 8.10 0.00 0.00 3.41 -1.26 -4.99 113.62 119.68 1iti n SER 132 Ca 0.16 -2.53 0.12 0.00 -0.26 0.00 0.00 58.87 56.36 1iti n SER 132 Cb 0.47 -1.48 0.71 0.00 -0.26 0.00 0.00 64.21 63.65 1iti n SER 132 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34