#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iti s ALA 2 N 0.00 -0.93 0.62 0.62 0.00 -1.26 -5.17 121.76 115.64 1iti s ALA 2 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 1iti s ALA 2 Cb 0.00 0.91 0.04 0.00 0.00 0.00 0.00 23.12 24.07 1iti s ALA 2 CO 0.00 -0.92 0.89 -1.21 0.00 0.00 0.00 175.76 174.52 1iti s GLU 3 N -3.92 2.44 -0.16 0.00 8.01 -1.26 -5.02 118.70 118.79 1iti s GLU 3 Ca 0.13 -0.45 0.02 0.00 0.01 0.00 0.00 54.97 54.67 1iti s GLU 3 Cb -0.03 -2.32 0.06 0.00 -4.31 0.00 0.00 34.13 27.53 1iti s GLU 3 CO 0.04 -0.93 0.82 0.00 0.01 0.00 0.00 175.26 175.19 1iti n ALA 4 N -2.62 -1.68 -2.11 5.21 0.00 -1.26 -5.13 120.51 112.93 1iti n ALA 4 Ca 0.07 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 1iti n ALA 4 Cb 0.60 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.28 1iti n ALA 4 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1iti s HIS 5 N 0.02 3.11 -0.15 0.00 -3.43 -1.26 -4.89 115.29 108.70 1iti s HIS 5 Ca 0.02 0.82 0.17 0.00 -0.80 0.00 0.00 55.06 55.28 1iti s HIS 5 Cb 0.07 -3.75 -0.08 0.00 -1.43 0.00 0.00 32.58 27.38 1iti s HIS 5 CO -0.02 -2.72 0.96 0.87 -2.00 0.00 0.00 174.74 171.83 1iti h LYS 6 N 7.00 0.00 -7.31 -0.38 1.57 -2.04 -3.47 116.57 111.94 1iti h LYS 6 Ca -0.42 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.85 1iti h LYS 6 Cb 1.20 0.00 0.14 0.00 0.08 0.00 0.00 32.23 33.65 1iti h LYS 6 CO 0.88 0.28 0.31 0.00 -0.57 0.00 0.00 179.45 180.35 1iti s ASP 8 N -3.37 7.20 0.02 0.00 -1.08 -1.26 -4.96 116.67 113.22 1iti s ASP 8 Ca 0.61 1.52 0.19 0.00 -0.52 0.00 0.00 52.55 54.35 1iti s ASP 8 Cb -0.17 -2.46 -0.17 0.00 -1.46 0.00 0.00 42.92 38.66 1iti s ASP 8 CO 0.56 0.11 0.68 0.00 0.52 0.00 0.00 175.17 177.04 1iti n ILE 9 N 1.10 0.93 -0.25 4.11 3.06 -1.26 -4.16 119.36 122.88 1iti n ILE 9 Ca -0.04 -0.66 -0.04 0.00 -2.50 0.00 0.00 62.75 59.51 1iti n ILE 9 Cb 0.50 -0.51 0.07 0.00 0.54 0.00 0.00 39.64 40.24 1iti n ILE 9 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 1iti h THR 10 N 0.00 1.14 -0.03 9.51 2.02 -1.99 0.10 112.91 123.65 1iti h THR 10 Ca -0.17 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.71 1iti h THR 10 Cb 1.50 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1iti h THR 10 CO 0.03 0.17 0.05 -0.07 0.37 0.00 0.00 175.52 176.07 1iti h LEU 11 N 0.91 0.00 0.00 2.58 3.38 -1.97 0.13 115.31 120.35 1iti h LEU 11 Ca 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1iti h LEU 11 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1iti h LEU 11 CO -0.09 0.00 -0.00 -0.61 0.09 0.00 0.00 178.44 177.83 1iti h GLN 12 N 0.00 -0.01 -0.66 1.13 4.15 -1.18 -2.75 115.11 115.79 1iti h GLN 12 Ca 0.02 0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.63 1iti h GLN 12 Cb 0.12 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1iti h GLN 12 CO -0.00 -0.00 0.59 1.05 -1.93 0.00 0.00 178.83 178.54 1iti h GLU 13 N -0.09 0.00 0.45 1.69 4.11 -1.39 -1.29 114.58 118.05 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 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1iti h GLU 13 CO 0.00 0.00 -0.22 0.82 0.07 0.00 0.00 179.01 179.68 1iti h ILE 14 N 0.00 0.30 -0.71 -1.06 2.04 -1.06 -2.20 117.51 114.83 1iti h ILE 14 Ca 0.31 -0.56 0.16 0.00 1.00 0.00 0.00 64.86 65.77 1iti h ILE 14 Cb 1.50 0.46 -0.12 0.00 -0.74 0.00 0.00 36.82 37.92 1iti h ILE 14 CO -0.00 0.06 0.01 0.40 0.00 0.00 0.00 178.15 178.62 1iti h ILE 15 N -1.03 0.40 -0.51 -0.67 2.04 -0.93 0.66 117.51 117.47 1iti h ILE 15 Ca -0.06 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1iti h ILE 15 Cb 0.56 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1iti h ILE 15 CO 0.10 0.02 0.34 0.50 0.00 0.00 0.00 178.15 179.11 1iti h LYS 16 N 0.11 0.60 0.08 2.37 3.64 -1.47 -2.43 116.57 119.48 1iti h LYS 16 Ca 0.38 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1iti h LYS 16 Cb 0.66 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1iti h LYS 16 CO -0.61 0.40 -0.04 1.15 -2.27 0.00 0.00 179.45 178.07 1iti h THR 17 N 0.62 1.08 -0.98 1.00 2.02 0.96 -2.69 112.91 114.91 1iti h THR 17 Ca 0.20 -0.60 0.19 0.00 0.77 0.00 0.00 66.41 66.98 1iti h THR 17 Cb 0.03 1.47 -0.09 0.00 -1.74 0.00 0.00 68.15 67.82 1iti h THR 17 CO -0.05 0.15 0.61 -0.07 0.37 0.00 0.00 175.52 176.53 1iti h LEU 18 N -0.38 0.68 0.44 2.58 3.38 -0.80 -1.23 115.31 119.98 1iti h LEU 18 Ca -0.01 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1iti h LEU 18 Cb 0.32 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1iti h LEU 18 CO 0.02 0.25 -0.21 0.78 0.09 0.00 0.00 178.44 179.37 1iti h ASN 19 N 0.67 -0.50 -0.77 -0.43 4.21 -1.19 -2.59 115.58 114.98 1iti h ASN 19 Ca 0.55 -0.00 0.16 0.00 1.21 0.00 0.00 56.30 58.22 1iti h ASN 19 Cb 0.98 0.13 -0.11 0.00 -1.12 0.00 0.00 38.32 38.20 1iti h ASN 19 CO -0.32 -0.33 0.27 0.28 -1.29 0.00 0.00 177.43 176.04 1iti h SER 20 N -0.63 0.19 -0.43 5.81 0.02 -0.93 0.15 113.55 117.72 1iti h SER 20 Ca -0.06 0.13 0.08 0.00 -0.84 0.00 0.00 61.79 61.10 1iti h SER 20 Cb 0.47 0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.08 1iti h SER 20 CO 0.10 0.03 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.72 1iti h LEU 21 N 0.37 -0.24 -0.73 5.07 3.38 -1.03 -0.54 115.31 121.59 1iti h LEU 21 Ca 0.44 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.63 1iti h LEU 21 Cb 0.74 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 1iti h LEU 21 CO -0.47 -0.08 0.33 0.71 0.09 0.00 0.00 178.44 179.03 1iti h THR 22 N 0.08 0.77 -0.94 0.22 1.35 -0.63 0.24 112.91 114.00 1iti h THR 22 Ca 0.21 -0.18 0.27 0.00 -0.55 0.00 0.00 66.41 66.16 1iti h THR 22 Cb 0.31 0.19 -0.04 0.00 -1.73 0.00 0.00 68.15 66.88 1iti h THR 22 CO -0.38 0.10 0.67 -0.33 -0.25 0.00 0.00 175.52 175.33 1iti h GLU 23 N 0.53 0.03 -6.09 4.72 5.08 -0.73 -3.39 114.58 114.73 1iti h GLU 23 Ca 0.38 -0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 58.14 1iti h GLU 23 Cb 0.48 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1iti h GLU 23 CO -0.33 0.02 -0.23 -0.65 -1.00 0.00 0.00 179.01 176.82 1iti s GLN 24 N -5.01 3.80 -0.43 2.33 -1.52 0.85 -5.05 119.66 114.63 1iti s GLN 24 Ca -0.05 0.23 0.05 0.00 -1.95 0.00 0.00 55.36 53.64 1iti s GLN 24 Cb 0.22 -3.04 0.17 0.00 -0.22 0.00 0.00 33.01 30.14 1iti s GLN 24 CO 0.78 0.59 0.48 0.15 -0.25 0.00 0.00 175.29 177.03 1iti s LYS 25 N -1.72 0.87 0.49 2.91 1.02 -1.26 -4.95 119.74 117.10 1iti s LYS 25 Ca 0.31 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 54.95 1iti s LYS 25 Cb -0.14 -0.75 0.10 0.00 -0.52 0.00 0.00 37.83 36.52 1iti s LYS 25 CO 0.17 -1.31 0.68 0.25 -0.92 0.00 0.00 175.35 174.22 1iti n THR 26 N 3.36 0.00 0.49 2.17 -2.24 -1.26 -4.96 114.28 111.84 1iti n THR 26 Ca 0.20 -1.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.01 1iti n THR 26 Cb 0.50 -1.03 0.46 0.00 -2.10 0.00 0.00 70.33 68.15 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 0.59 0.33 3.22 -0.00 -1.26 -2.69 117.00 117.19 1iti n LEU 27 Ca 0.11 0.62 0.21 0.00 -0.00 0.00 0.00 56.01 56.95 1iti n LEU 27 Cb 0.40 -0.51 1.14 0.00 -0.00 0.00 0.00 43.42 44.45 1iti n LEU 27 CO 0.27 -0.42 1.17 0.00 -0.00 0.00 0.00 177.39 178.42 1iti n THR 29 N -3.24 0.79 1.63 0.00 -2.24 -1.10 -2.13 114.28 108.00 1iti n THR 29 Ca -0.03 0.17 0.15 0.00 -2.27 0.00 0.00 64.05 62.08 1iti n THR 29 Cb 0.10 -0.95 0.82 0.00 -2.10 0.00 0.00 70.33 68.20 1iti n THR 29 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1iti n GLU 30 N -1.76 0.65 -3.00 -0.78 0.00 0.67 -4.16 120.64 112.26 1iti n GLU 30 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.83 1iti n GLU 30 Cb 0.23 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.11 1iti n GLU 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1iti s LEU 31 N -2.34 4.39 -0.20 4.31 1.43 -0.90 -5.00 118.68 120.37 1iti s LEU 31 Ca 0.36 1.56 -0.17 0.00 -1.03 0.00 0.00 54.13 54.84 1iti s LEU 31 Cb 0.21 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 1iti s LEU 31 CO 0.42 0.04 0.47 0.42 0.23 0.00 0.00 176.35 177.92 1iti s THR 32 N -1.48 5.15 0.69 5.49 -4.23 -1.26 -3.25 115.64 116.74 1iti s THR 32 Ca 0.43 0.85 0.01 0.00 -1.18 0.00 0.00 61.69 61.81 1iti s THR 32 Cb -0.18 -3.79 0.12 0.00 1.34 0.00 0.00 72.50 69.98 1iti s THR 32 CO 0.23 0.21 0.95 0.68 -0.54 0.00 0.00 174.62 176.15 1iti s VAL 33 N 1.45 2.13 -0.31 2.29 -7.23 0.17 -4.85 120.40 114.06 1iti s VAL 33 Ca 0.22 -0.68 -0.19 0.00 -1.81 0.00 0.00 61.98 59.52 1iti s VAL 33 Cb -0.15 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 1iti s VAL 33 CO 0.09 0.00 0.54 -0.89 -0.31 0.00 0.00 175.10 174.53 1iti s THR 34 N -3.04 5.01 0.05 5.32 2.01 -1.26 -2.02 115.64 121.70 1iti s THR 34 Ca 0.65 0.63 -0.31 0.00 0.31 0.00 0.00 61.69 62.98 1iti s THR 34 Cb -0.05 -3.93 -0.07 0.00 0.01 0.00 0.00 72.50 68.45 1iti s THR 34 CO 0.43 -0.11 1.58 -0.62 -0.69 0.00 0.00 174.62 175.22 1iti s ASP 35 N 1.68 6.67 -0.10 3.53 -1.08 -1.26 -4.88 116.67 121.22 1iti s ASP 35 Ca 0.21 2.38 0.12 0.00 -0.52 0.00 0.00 52.55 54.74 1iti s ASP 35 Cb -0.15 -2.56 -0.24 0.00 -1.46 0.00 0.00 42.92 38.51 1iti s ASP 35 CO 0.12 -0.84 0.44 2.30 0.52 0.00 0.00 175.17 177.71 1iti n ILE 36 N 4.71 1.56 1.34 4.11 -5.35 -1.26 -3.87 119.36 120.59 1iti n ILE 36 Ca 0.15 -0.79 0.12 0.00 -0.27 0.00 0.00 62.75 61.95 1iti n ILE 36 Cb 0.41 -0.96 0.66 0.00 -1.74 0.00 0.00 39.64 38.01 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 -3.01 0.00 0.16 4.28 3.72 -1.26 -3.28 117.46 118.07 1iti n PHE 37 Ca -0.24 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.18 1iti n PHE 37 Cb 1.08 -0.11 0.08 0.00 -0.94 0.00 0.00 39.48 39.59 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 -1.11 1.47 -2.67 4.37 0.00 -1.25 -2.96 120.51 118.38 1iti n ALA 38 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 1iti n ALA 38 Cb 0.12 -1.05 0.09 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 -1.14 0.74 -2.35 0.00 0.00 -1.20 -4.88 120.51 111.67 1iti n ALA 39 Ca 0.02 -0.93 -0.42 0.00 0.00 0.00 0.00 53.44 52.11 1iti n ALA 39 Cb 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1iti n ALA 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1iti n SER 40 N -0.80 6.53 0.00 0.00 2.88 -1.15 -4.74 113.62 116.33 1iti n SER 40 Ca -0.11 -3.23 0.00 0.00 -1.33 0.00 0.00 58.87 54.20 1iti n SER 40 Cb 0.79 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1iti n SER 40 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1iti n LYS 41 N 2.34 0.00 0.13 -1.46 2.85 -1.26 -4.57 118.16 116.18 1iti n LYS 41 Ca 0.46 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.83 1iti n LYS 41 Cb 0.31 -0.00 0.50 0.00 -0.65 0.00 0.00 35.03 35.19 1iti n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1iti n ASP 42 N -0.00 0.62 -3.45 -5.58 8.00 -1.26 -4.76 116.55 110.12 1iti n ASP 42 Ca 0.00 0.68 -0.17 0.00 0.71 0.00 0.00 54.79 56.00 1iti n ASP 42 Cb 0.00 -0.80 0.17 0.00 -0.02 0.00 0.00 41.12 40.47 1iti n ASP 42 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1iti n THR 43 N -2.21 0.00 -4.05 -3.53 -2.24 -1.26 -5.04 114.28 95.95 1iti n THR 43 Ca 0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 1iti n THR 43 Cb 0.19 -0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 67.79 1iti n THR 43 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1iti s THR 44 N -2.06 0.02 0.24 4.28 2.01 -1.26 -5.01 115.64 113.86 1iti s THR 44 Ca 0.38 -1.59 -0.08 0.00 0.31 0.00 0.00 61.69 60.72 1iti s THR 44 Cb -0.07 -2.21 0.25 0.00 0.01 0.00 0.00 72.50 70.49 1iti s THR 44 CO 0.32 -0.07 1.65 -0.33 -0.69 0.00 0.00 174.62 175.49 1iti h GLU 45 N 2.44 0.12 -0.01 4.92 5.08 -1.97 0.32 114.58 125.47 1iti h GLU 45 Ca -0.30 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1iti h GLU 45 Cb 1.24 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 1iti h GLU 45 CO 0.44 0.08 -0.41 0.87 -1.00 0.00 0.00 179.01 178.99 1iti h LYS 46 N 0.12 -0.54 0.00 2.33 1.79 -1.99 0.38 116.57 118.65 1iti h LYS 46 Ca 0.39 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 1iti h LYS 46 Cb 0.67 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1iti h LYS 46 CO -0.62 -0.36 0.00 0.93 -1.08 0.00 0.00 179.45 178.32 1iti h GLU 47 N -0.56 0.00 0.05 3.15 5.08 -1.53 -2.57 114.58 118.20 1iti h GLU 47 Ca 0.05 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.21 1iti h GLU 47 Cb 0.64 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.91 1iti h GLU 47 CO -0.32 0.00 -0.82 1.15 -1.00 0.00 0.00 179.01 178.02 1iti h THR 48 N 0.00 1.40 -0.05 1.13 2.02 0.34 -2.63 112.91 115.12 1iti h THR 48 Ca 0.00 -2.26 -0.14 0.00 0.77 0.00 0.00 66.41 64.79 1iti h THR 48 Cb 0.25 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 1iti h THR 48 CO 0.00 0.66 -0.59 -0.26 0.37 0.00 0.00 175.52 175.70 1iti h PHE 49 N -0.02 0.21 0.38 3.16 0.04 -0.69 -2.54 116.94 117.48 1iti h PHE 49 Ca -0.12 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.56 1iti h PHE 49 Cb 1.54 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.66 1iti h PHE 49 CO 0.14 0.71 -0.18 0.00 -0.60 0.00 0.00 178.31 178.39 1iti h ARG 51 N -0.74 0.34 -0.41 0.00 3.08 -1.56 0.78 114.38 115.88 1iti h ARG 51 Ca -0.05 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1iti h ARG 51 Cb 0.39 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1iti h ARG 51 CO 0.09 0.23 0.27 0.00 -1.07 0.00 0.00 179.97 179.49 1iti h ALA 52 N 1.68 1.81 0.00 0.04 0.00 -1.44 -2.47 119.26 118.88 1iti h ALA 52 Ca 0.51 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.32 1iti h ALA 52 Cb 0.93 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1iti h ALA 52 CO -0.53 0.15 -0.31 0.00 0.00 0.00 0.00 179.25 178.56 1iti h ALA 53 N 1.76 0.03 -0.90 0.00 0.00 0.13 -2.73 119.26 117.55 1iti h ALA 53 Ca 0.16 -0.49 0.23 0.00 0.00 0.00 0.00 54.91 54.81 1iti h ALA 53 Cb 0.08 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.76 1iti h ALA 53 CO -0.04 0.13 0.39 1.15 0.00 0.00 0.00 179.25 180.88 1iti h THR 54 N -0.46 0.45 0.45 0.00 2.02 -0.53 0.35 112.91 115.19 1iti h THR 54 Ca -0.04 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1iti h THR 54 Cb 1.07 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1iti h THR 54 CO 0.06 0.07 -0.22 0.58 0.37 0.00 0.00 175.52 176.38 1iti h VAL 55 N 0.38 0.00 -1.25 3.16 2.07 -1.50 -2.74 116.25 116.36 1iti h VAL 55 Ca 0.57 -0.34 0.36 0.00 0.82 0.00 0.00 66.70 68.11 1iti h VAL 55 Cb 1.11 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1iti h VAL 55 CO -0.55 0.00 0.89 -0.07 0.02 0.00 0.00 177.57 177.86 1iti h LEU 56 N -0.96 0.06 0.47 2.57 3.38 -1.06 -0.37 115.31 119.41 1iti h LEU 56 Ca -0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1iti h LEU 56 Cb 0.47 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1iti h LEU 56 CO 0.10 0.00 -0.23 -0.09 0.09 0.00 0.00 178.44 178.32 1iti h ARG 57 N 0.05 -0.61 0.00 1.13 2.43 -0.19 -2.41 114.38 114.78 1iti h ARG 57 Ca 0.61 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.82 1iti h ARG 57 Cb 2.34 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 32.03 1iti h ARG 57 CO -0.05 -0.40 0.00 0.00 -1.51 0.00 0.00 179.97 178.00 1iti n GLN 58 N -4.06 0.19 -0.00 0.20 10.64 -0.52 -1.56 117.38 122.26 1iti n GLN 58 Ca -0.08 0.07 -0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1iti n GLN 58 Cb 0.25 -1.50 -0.00 0.00 -0.86 0.00 0.00 30.24 28.13 1iti n GLN 58 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.06 175.58 1iti h PHE 59 N 0.00 0.00 0.00 2.61 3.57 -0.63 -3.15 116.94 119.33 1iti h PHE 59 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1iti h PHE 59 Cb 0.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1iti h PHE 59 CO 0.00 0.00 0.00 2.48 -2.23 0.00 0.00 178.31 178.56 1iti n TYR 60 N -2.19 0.00 -0.01 0.41 0.18 -1.02 -1.87 117.16 112.66 1iti n TYR 60 Ca -0.00 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.59 1iti n TYR 60 Cb 0.00 -0.17 -0.14 0.00 -0.38 0.00 0.00 39.34 38.65 1iti n TYR 60 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1iti n SER 61 N -1.17 1.91 -0.09 9.48 7.64 -0.60 -3.61 113.62 127.18 1iti n SER 61 Ca 0.15 0.21 -0.14 0.00 1.01 0.00 0.00 58.87 60.10 1iti n SER 61 Cb 0.16 -0.69 -0.07 0.00 -1.01 0.00 0.00 64.21 62.61 1iti n SER 61 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1iti h HIS 62 N 0.06 0.00 -0.36 1.43 3.86 -1.51 -3.36 115.15 115.26 1iti h HIS 62 Ca -0.42 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 58.87 1iti h HIS 62 Cb 2.03 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 30.42 1iti h HIS 62 CO 0.06 0.78 -0.14 0.45 0.86 0.00 0.00 177.93 179.94 1iti h HIS 63 N -1.00 -0.34 -0.63 2.45 3.86 -1.57 0.42 115.15 118.34 1iti h HIS 63 Ca -0.18 0.04 0.18 0.00 -1.16 0.00 0.00 60.37 59.25 1iti h HIS 63 Cb 0.92 0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.57 1iti h HIS 63 CO -0.05 -0.22 0.79 1.49 0.86 0.00 0.00 177.93 180.80 1iti h GLU 64 N -0.07 0.00 0.00 2.45 4.22 -1.72 1.19 114.58 120.65 1iti h GLU 64 Ca 0.18 0.00 -0.22 0.00 0.08 0.00 0.00 59.36 59.39 1iti h GLU 64 Cb 0.35 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1iti h GLU 64 CO -0.41 0.00 -1.45 0.87 -2.18 0.00 0.00 179.01 175.84 1iti h LYS 65 N 0.00 0.00 -7.08 1.92 6.56 -0.33 -3.46 116.57 114.18 1iti h LYS 65 Ca 0.30 0.00 -0.44 0.00 -1.06 0.00 0.00 60.65 59.45 1iti h LYS 65 Cb 1.88 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.52 1iti h LYS 65 CO -0.00 0.47 0.34 0.34 -2.06 0.00 0.00 179.45 178.54 1iti s ASP 66 N -6.06 6.90 -0.45 0.86 2.15 0.41 -4.94 116.67 115.53 1iti s ASP 66 Ca -0.03 1.67 -0.02 0.00 0.43 0.00 0.00 52.55 54.60 1iti s ASP 66 Cb 0.08 -2.53 0.20 0.00 -0.30 0.00 0.00 42.92 40.37 1iti s ASP 66 CO 0.81 -0.39 2.30 0.35 -0.17 0.00 0.00 175.17 178.08 1iti n THR 67 N -0.76 3.15 -0.06 1.71 -2.24 -1.26 -4.45 114.28 110.36 1iti n THR 67 Ca 0.07 -2.49 -0.05 0.00 -2.27 0.00 0.00 64.05 59.31 1iti n THR 67 Cb 0.54 -1.40 -0.02 0.00 -2.10 0.00 0.00 70.33 67.35 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 0.32 0.38 -0.03 -0.78 5.12 -1.26 -4.31 116.66 116.09 1iti n ARG 68 Ca 0.43 0.33 0.01 0.00 -1.93 0.00 0.00 57.85 56.69 1iti n ARG 68 Cb 0.56 -1.37 0.02 0.00 -1.16 0.00 0.00 32.46 30.51 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 -0.20 2.09 0.00 0.00 4.77 -1.26 -4.70 117.00 117.71 1iti n LEU 70 Ca 0.02 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1iti n LEU 70 Cb 0.15 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 1iti n LEU 70 CO 0.01 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1iti n GLY 71 N 1.56 0.13 0.00 -0.72 0.00 -1.24 -3.83 105.19 101.09 1iti n GLY 71 Ca -0.36 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 6.57 1.00 -0.68 4.61 0.00 -1.26 -5.00 120.51 125.77 1iti n ALA 72 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1iti n ALA 72 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 1iti n ALA 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1iti n THR 73 N -1.08 0.00 0.32 0.00 -1.04 -1.26 -4.86 114.28 106.36 1iti n THR 73 Ca 0.00 -0.29 0.12 0.00 -2.04 0.00 0.00 64.05 61.84 1iti n THR 73 Cb 0.00 -0.64 0.12 0.00 -1.82 0.00 0.00 70.33 67.99 1iti n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iti h ALA 74 N -2.04 0.66 0.07 2.41 0.00 -1.99 -3.18 119.26 115.18 1iti h ALA 74 Ca -0.53 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.09 1iti h ALA 74 Cb 1.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1iti h ALA 74 CO 0.39 0.00 -1.51 -0.56 0.00 0.00 0.00 179.25 177.57 1iti h GLN 75 N 0.00 0.14 0.00 0.00 3.07 -1.98 -3.30 115.11 113.04 1iti h GLN 75 Ca 0.00 -0.24 -0.13 0.00 0.09 0.00 0.00 58.65 58.38 1iti h GLN 75 Cb 0.89 0.09 -0.02 0.00 0.08 0.00 0.00 27.48 28.52 1iti h GLN 75 CO 0.00 0.93 -0.60 0.37 0.09 0.00 0.00 178.83 179.63 1iti h GLN 76 N 0.04 0.00 -0.58 0.06 -0.00 -1.87 -2.08 115.11 110.67 1iti h GLN 76 Ca -0.22 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.37 1iti h GLN 76 Cb 1.97 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 29.43 1iti h GLN 76 CO 0.13 0.60 0.12 0.35 0.00 0.00 0.00 178.83 180.03 1iti h PHE 77 N 0.00 1.00 0.01 3.99 3.57 -1.64 -2.08 116.94 121.79 1iti h PHE 77 Ca -0.01 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 1iti h PHE 77 Cb 1.22 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1iti h PHE 77 CO 0.00 0.86 -0.01 1.25 -2.23 0.00 0.00 178.31 178.19 1iti h HIS 78 N 0.85 -0.02 -1.12 0.41 2.76 -1.63 -2.65 115.15 113.76 1iti h HIS 78 Ca 0.18 -0.00 0.31 0.00 -2.20 0.00 0.00 60.37 58.66 1iti h HIS 78 Cb 0.38 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.28 1iti h HIS 78 CO 0.03 0.77 0.77 -0.09 -1.30 0.00 0.00 177.93 178.11 1iti h ARG 79 N -0.86 0.14 0.09 5.26 2.43 -1.39 -0.42 114.38 119.62 1iti h ARG 79 Ca -0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1iti h ARG 79 Cb 0.79 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1iti h ARG 79 CO 0.00 0.09 -0.04 1.25 -1.51 0.00 0.00 179.97 179.76 1iti h HIS 80 N 0.14 -0.11 -0.80 2.20 2.76 -1.38 -3.13 115.15 114.84 1iti h HIS 80 Ca 0.57 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.92 1iti h HIS 80 Cb 1.97 0.04 -0.11 0.00 1.55 0.00 0.00 27.41 30.85 1iti h HIS 80 CO -0.00 0.38 0.26 0.87 -1.30 0.00 0.00 177.93 178.13 1iti h LYS 81 N -0.93 0.32 -0.42 5.26 1.79 -0.80 0.93 116.57 122.71 1iti h LYS 81 Ca -0.01 -0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.51 1iti h LYS 81 Cb 0.53 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 31.05 1iti h LYS 81 CO 0.02 0.21 0.06 0.37 -1.08 0.00 0.00 179.45 179.03 1iti h GLN 82 N 0.33 0.17 0.53 3.15 4.15 -1.21 -0.29 115.11 121.94 1iti h GLN 82 Ca 0.46 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.86 1iti h GLN 82 Cb 0.82 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.45 1iti h GLN 82 CO -0.51 0.11 -0.50 1.25 -1.93 0.00 0.00 178.83 177.25 1iti h LEU 83 N 0.18 -1.36 -0.83 -2.39 6.46 -0.77 -0.09 115.31 116.51 1iti h LEU 83 Ca 0.21 0.11 0.19 0.00 -0.12 0.00 0.00 57.88 58.27 1iti h LEU 83 Cb 0.28 0.44 -0.12 0.00 -0.73 0.00 0.00 40.66 40.53 1iti h LEU 83 CO -0.30 -0.67 0.30 0.40 -0.62 0.00 0.00 178.44 177.55 1iti h ILE 84 N -1.02 0.49 -0.44 4.05 1.08 -1.03 0.19 117.51 120.83 1iti h ILE 84 Ca -0.07 -0.12 0.02 0.00 -0.39 0.00 0.00 64.86 64.30 1iti h ILE 84 Cb 0.88 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 1iti h ILE 84 CO -0.05 0.06 0.27 0.03 -0.69 0.00 0.00 178.15 177.77 1iti h ARG 85 N 0.35 0.52 -0.42 2.37 2.47 -0.26 0.14 114.38 119.54 1iti h ARG 85 Ca 0.50 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.19 1iti h ARG 85 Cb 0.90 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.08 1iti h ARG 85 CO -0.52 0.35 0.27 0.74 0.56 0.00 0.00 179.97 181.36 1iti h PHE 86 N 0.54 0.54 -0.07 3.04 0.04 0.12 -1.61 116.94 119.54 1iti h PHE 86 Ca 0.17 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 1iti h PHE 86 Cb -0.00 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 37.96 1iti h PHE 86 CO -0.07 0.36 0.03 -0.07 -0.60 0.00 0.00 178.31 177.96 1iti h LEU 87 N 0.57 0.09 -2.37 1.54 3.38 -0.62 -1.60 115.31 116.30 1iti h LEU 87 Ca 0.15 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1iti h LEU 87 Cb -0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1iti h LEU 87 CO -0.03 0.21 0.18 0.11 0.09 0.00 0.00 178.44 179.00 1iti h LYS 88 N -0.03 0.00 0.00 1.13 1.57 -0.49 0.22 116.57 118.97 1iti h LYS 88 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1iti h LYS 88 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1iti h LYS 88 CO -0.00 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 176.75 1iti n ARG 89 N -3.41 0.00 0.24 3.15 3.00 -0.63 -3.53 116.66 115.49 1iti n ARG 89 Ca -0.00 0.47 0.15 0.00 -0.00 0.00 0.00 57.85 58.47 1iti n ARG 89 Cb 0.27 -1.06 0.81 0.00 0.00 0.00 0.00 32.46 32.49 1iti n ARG 89 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 1iti h LEU 90 N 0.00 0.00 -0.69 6.15 8.10 -1.34 -1.26 115.31 126.27 1iti h LEU 90 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.95 1iti h LEU 90 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 1iti h LEU 90 CO 0.00 0.00 0.26 -0.78 -4.11 0.00 0.00 178.44 173.81 1iti h ASP 91 N 0.00 0.96 0.78 0.17 3.58 -0.63 -2.08 116.42 119.20 1iti h ASP 91 Ca 0.00 -0.18 -0.25 0.00 0.42 0.00 0.00 57.03 57.03 1iti h ASP 91 Cb 0.14 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 1iti h ASP 91 CO 0.00 0.88 -1.28 0.03 -2.88 0.00 0.00 179.24 175.99 1iti h ARG 92 N 0.98 0.02 -0.98 0.28 2.47 -1.28 -3.18 114.38 112.69 1iti h ARG 92 Ca 0.23 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1iti h ARG 92 Cb 0.23 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.51 1iti h ARG 92 CO -0.02 0.84 0.62 -0.91 0.56 0.00 0.00 179.97 181.07 1iti h ASN 93 N 0.01 1.15 0.09 7.04 -0.26 -1.26 0.14 115.58 122.49 1iti h ASN 93 Ca -0.12 -0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.57 1iti h ASN 93 Cb 1.87 -0.29 0.00 0.00 -1.06 0.00 0.00 38.32 38.84 1iti h ASN 93 CO 0.12 0.86 -0.04 -0.07 -1.06 0.00 0.00 177.43 177.23 1iti h LEU 94 N 1.34 -0.11 -0.37 1.61 3.38 -1.47 -2.92 115.31 116.79 1iti h LEU 94 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1iti h LEU 94 Cb -0.11 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1iti h LEU 94 CO -0.07 -0.02 0.30 1.87 0.09 0.00 0.00 178.44 180.61 1iti n TRP 95 N -2.67 0.19 0.00 1.13 -0.00 -1.20 -1.98 117.44 112.90 1iti n TRP 95 Ca -0.02 0.10 0.00 0.00 -0.00 0.00 0.00 57.50 57.58 1iti n TRP 95 Cb 0.05 -0.41 0.00 0.00 -0.00 0.00 0.00 31.31 30.95 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 -1.26 -0.53 0.00 5.87 0.00 0.04 -2.99 105.19 106.31 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 -1.78 0.00 0.00 0.99 -0.00 -0.94 -3.19 117.00 112.08 1iti n LEU 97 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 1iti n LEU 97 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 1iti n LEU 97 CO 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 177.39 177.31 1iti n ALA 98 N -1.08 0.00 -1.28 1.47 0.00 -0.84 -5.07 120.51 113.71 1iti n ALA 98 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 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 2.22 -0.55 3.02 0.00 0.00 -1.16 -5.10 105.19 103.62 1iti n GLY 99 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.83 -0.06 0.00 0.99 1.43 -1.26 -5.09 118.68 113.86 1iti s LEU 100 Ca 0.00 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1iti s LEU 100 Cb 0.00 0.71 0.00 0.00 0.03 0.00 0.00 46.19 46.93 1iti s LEU 100 CO 0.00 -0.22 0.05 0.59 0.23 0.00 0.00 176.35 177.01 1iti n ASN 101 N 4.98 0.00 -4.78 2.29 3.02 -1.26 -4.85 115.26 114.66 1iti n ASN 101 Ca -0.12 0.11 -0.39 0.00 -0.03 0.00 0.00 54.58 54.14 1iti n ASN 101 Cb 0.51 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.56 1iti n ASN 101 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1iti s SER 102 N -1.31 7.40 -0.44 6.41 0.15 -1.26 -4.99 113.70 119.66 1iti s SER 102 Ca 0.00 1.70 0.04 0.00 0.70 0.00 0.00 55.95 58.39 1iti s SER 102 Cb 0.00 -2.52 0.26 0.00 -1.71 0.00 0.00 66.02 62.05 1iti s SER 102 CO 0.00 0.15 1.03 0.00 1.20 0.00 0.00 173.24 175.62 1iti s PRO 104 N 0.46 3.10 0.12 0.00 0.05 -1.26 -4.91 135.00 132.56 1iti s PRO 104 Ca 0.29 2.03 -0.09 0.00 0.05 0.00 0.00 61.00 63.28 1iti s PRO 104 Cb 0.24 -2.13 -0.06 0.00 0.05 0.00 0.00 34.50 32.59 1iti s PRO 104 CO -0.18 -1.16 0.43 0.54 0.05 0.00 0.00 177.00 176.68 1iti s VAL 105 N -1.43 5.06 0.00 -0.36 0.11 -1.26 -5.04 120.40 117.49 1iti s VAL 105 Ca 0.74 0.42 0.00 0.00 -2.93 0.00 0.00 61.98 60.21 1iti s VAL 105 Cb -0.36 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 30.85 1iti s VAL 105 CO 0.41 0.20 0.00 1.17 -3.33 0.00 0.00 175.10 173.54 1iti n LYS 106 N 0.62 0.05 -0.99 1.54 4.81 -1.26 -5.10 118.16 117.83 1iti n LYS 106 Ca -0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.35 1iti n LYS 106 Cb 0.52 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.59 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 0.59 0.00 1.64 1.02 -1.26 -5.13 120.64 117.50 1iti n GLU 107 Ca 0.00 -0.43 0.00 0.00 -0.02 0.00 0.00 57.16 56.71 1iti n GLU 107 Cb 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 31.44 31.33 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 -1.63 0.62 0.00 -1.26 -4.89 120.51 110.38 1iti n ALA 108 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1iti n ALA 108 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -3.56 0.00 8.00 -1.26 -4.94 116.55 114.79 1iti n ASP 109 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 1iti n ASP 109 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1iti n ASP 109 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1iti s GLN 110 N 0.66 0.56 0.13 -1.24 0.74 -1.26 -4.59 119.66 114.65 1iti s GLN 110 Ca 0.00 -0.11 -0.24 0.00 0.05 0.00 0.00 55.36 55.06 1iti s GLN 110 Cb 0.00 0.26 0.07 0.00 1.10 0.00 0.00 33.01 34.44 1iti s GLN 110 CO 0.00 -0.22 0.71 -1.54 -0.55 0.00 0.00 175.29 173.69 1iti s SER 111 N -1.93 -0.46 0.34 6.67 1.04 -0.86 -4.60 113.70 113.91 1iti s SER 111 Ca 0.05 -0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.27 1iti s SER 111 Cb -0.01 0.55 -0.07 0.00 0.10 0.00 0.00 66.02 66.59 1iti s SER 111 CO -0.05 -0.91 0.70 0.42 0.98 0.00 0.00 173.24 174.38 1iti s THR 112 N -3.57 4.80 0.19 2.02 -4.23 -1.26 0.45 115.64 114.05 1iti s THR 112 Ca 0.04 0.64 -0.11 0.00 -1.18 0.00 0.00 61.69 61.07 1iti s THR 112 Cb -0.02 -3.67 0.11 0.00 1.34 0.00 0.00 72.50 70.26 1iti s THR 112 CO -0.09 -0.32 1.81 0.25 -0.54 0.00 0.00 174.62 175.73 1iti h LEU 113 N 1.83 0.52 0.00 4.79 5.85 -1.71 0.28 115.31 126.87 1iti h LEU 113 Ca -0.47 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1iti h LEU 113 Cb 1.18 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1iti h LEU 113 CO 0.65 0.36 0.00 1.21 -0.34 0.00 0.00 178.44 180.32 1iti n GLU 114 N -4.79 0.00 -0.31 1.25 2.13 -1.26 -0.23 120.64 117.43 1iti n GLU 114 Ca 0.06 0.51 0.14 0.00 0.66 0.00 0.00 57.16 58.53 1iti n GLU 114 Cb 0.12 -1.46 0.31 0.00 0.27 0.00 0.00 31.44 30.68 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 0.30 -0.31 4.31 2.35 -1.95 0.25 115.58 120.53 1iti h ASN 115 Ca 0.00 0.16 0.04 0.00 -0.55 0.00 0.00 56.30 55.95 1iti h ASN 115 Cb 0.00 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 1iti h ASN 115 CO 0.00 -0.03 0.07 0.15 -1.65 0.00 0.00 177.43 175.97 1iti h PHE 116 N 0.37 0.12 0.00 1.19 3.57 -0.17 0.03 116.94 122.06 1iti h PHE 116 Ca 0.56 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 62.04 1iti h PHE 116 Cb 1.09 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1iti h PHE 116 CO -0.15 0.03 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.69 1iti h LEU 117 N 0.19 0.00 0.28 0.59 3.38 0.26 -0.78 115.31 119.23 1iti h LEU 117 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1iti h LEU 117 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1iti h LEU 117 CO -0.18 0.21 -0.13 -0.08 0.09 0.00 0.00 178.44 178.35 1iti h GLU 118 N 0.00 -0.36 -0.03 1.13 4.57 0.85 0.93 114.58 121.68 1iti h GLU 118 Ca -0.00 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1iti h GLU 118 Cb 0.47 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1iti h GLU 118 CO 0.03 -0.01 -0.24 0.07 -1.18 0.00 0.00 179.01 177.67 1iti h ARG 119 N -0.86 0.04 0.36 1.92 0.11 -1.07 -2.24 114.38 112.63 1iti h ARG 119 Ca -0.04 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.01 1iti h ARG 119 Cb 0.51 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1iti h ARG 119 CO 0.06 0.28 -0.17 1.25 0.10 0.00 0.00 179.97 181.49 1iti h LEU 120 N 0.04 -0.41 -0.91 0.08 6.46 -1.10 -2.41 115.31 117.07 1iti h LEU 120 Ca 0.01 -0.02 0.23 0.00 -0.12 0.00 0.00 57.88 57.97 1iti h LEU 120 Cb 0.45 0.11 -0.13 0.00 -0.73 0.00 0.00 40.66 40.36 1iti h LEU 120 CO 0.03 0.04 0.40 0.50 -0.62 0.00 0.00 178.44 178.79 1iti h LYS 121 N -1.11 0.37 -0.20 1.25 3.64 -0.77 0.19 116.57 119.94 1iti h LYS 121 Ca -0.05 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1iti h LYS 121 Cb 0.41 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1iti h LYS 121 CO 0.08 0.24 0.12 1.15 -2.27 0.00 0.00 179.45 178.78 1iti h THR 122 N 0.38 1.08 -0.23 1.00 2.02 -1.43 -2.64 112.91 113.09 1iti h THR 122 Ca 0.58 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.63 1iti h THR 122 Cb 1.12 0.83 -0.06 0.00 -1.74 0.00 0.00 68.15 68.31 1iti h THR 122 CO -0.55 0.07 -0.13 0.40 0.37 0.00 0.00 175.52 175.69 1iti h ILE 123 N 0.25 0.61 -0.09 3.11 2.04 -0.12 -0.72 117.51 122.58 1iti h ILE 123 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 1iti h ILE 123 Cb 0.01 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1iti h ILE 123 CO -0.01 0.00 -0.25 0.24 0.00 0.00 0.00 178.15 178.12 1iti h MET 124 N -0.11 -0.24 -0.40 2.37 2.86 -1.03 0.64 114.93 119.01 1iti h MET 124 Ca 0.13 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.90 1iti h MET 124 Cb 0.30 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1iti h MET 124 CO -0.30 -0.16 0.54 0.00 1.06 0.00 0.00 176.91 178.05 1iti h ARG 125 N -0.25 0.00 0.29 1.72 2.47 -1.20 0.64 114.38 118.05 1iti h ARG 125 Ca 0.02 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1iti h ARG 125 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1iti h ARG 125 CO -0.22 0.00 -0.14 1.49 0.56 0.00 0.00 179.97 181.66 1iti h GLU 126 N 0.00 -0.37 0.00 0.04 4.22 0.17 -3.21 114.58 115.43 1iti h GLU 126 Ca 0.19 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.66 1iti h GLU 126 Cb 1.27 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1iti h GLU 126 CO -0.00 -0.25 0.00 1.63 -2.18 0.00 0.00 179.01 178.21 1iti n LYS 127 N -4.97 0.89 0.00 1.92 5.02 0.42 -3.60 118.16 117.85 1iti n LYS 127 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1iti n LYS 127 Cb 0.15 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 -0.77 0.00 -1.26 2.13 9.36 0.21 -4.42 117.16 122.41 1iti n TYR 128 Ca 0.12 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.91 1iti n TYR 128 Cb 0.05 -0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.72 1iti n TYR 128 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1iti n SER 129 N -0.48 2.77 0.00 2.98 3.41 -1.24 -4.85 113.62 116.21 1iti n SER 129 Ca 0.00 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 1iti n SER 129 Cb 0.00 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 62.74 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 6.84 0.00 0.00 4.33 2.85 -1.26 -4.34 118.16 126.58 1iti n LYS 130 Ca 0.50 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.78 1iti n LYS 130 Cb 0.40 0.00 0.14 0.00 -0.65 0.00 0.00 35.03 34.92 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 -0.81 0.00 0.00 0.00 2.88 -1.26 -5.11 113.62 109.32 1iti n SER 132 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1iti n SER 132 Cb 0.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1iti n SER 132 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57