#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 3.65 0.31 0.62 0.00 -1.26 -5.04 121.76 120.04 1iti s ALA 2 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 1iti s ALA 2 Cb 0.00 -2.30 -0.10 0.00 0.00 0.00 0.00 23.12 20.71 1iti s ALA 2 CO 0.00 0.45 1.36 -2.00 0.00 0.00 0.00 175.76 175.57 1iti s GLU 3 N -3.04 4.31 0.58 0.00 2.12 -1.26 -5.01 118.70 116.39 1iti s GLU 3 Ca 0.44 2.27 0.00 0.00 0.36 0.00 0.00 54.97 58.05 1iti s GLU 3 Cb -0.11 -3.07 0.04 0.00 0.26 0.00 0.00 34.13 31.25 1iti s GLU 3 CO 0.25 -0.28 0.81 0.00 -0.54 0.00 0.00 175.26 175.50 1iti s ALA 4 N -0.83 3.82 0.28 6.30 0.00 -1.26 -5.06 121.76 125.01 1iti s ALA 4 Ca 0.52 -1.33 -0.26 0.00 0.00 0.00 0.00 51.96 50.89 1iti s ALA 4 Cb -0.41 -2.11 -0.09 0.00 0.00 0.00 0.00 23.12 20.51 1iti s ALA 4 CO 0.51 -0.86 0.89 -3.38 0.00 0.00 0.00 175.76 172.92 1iti s HIS 5 N -2.84 3.75 -0.44 0.00 -3.43 -1.26 -4.94 115.29 106.13 1iti s HIS 5 Ca 0.58 1.73 -0.02 0.00 -0.80 0.00 0.00 55.06 56.55 1iti s HIS 5 Cb -0.10 -2.87 0.26 0.00 -1.43 0.00 0.00 32.58 28.44 1iti s HIS 5 CO 0.39 0.30 2.12 1.17 -2.00 0.00 0.00 174.74 176.72 1iti n LYS 6 N 0.82 2.13 -1.54 -0.38 4.81 -1.26 -4.98 118.16 117.75 1iti n LYS 6 Ca -0.00 -2.15 -0.45 0.00 -0.87 0.00 0.00 58.31 54.84 1iti n LYS 6 Cb 0.50 -1.87 -0.01 0.00 0.02 0.00 0.00 35.03 33.66 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iti s ASP 8 N -0.69 7.33 0.17 0.00 2.15 -1.26 -4.95 116.67 119.42 1iti s ASP 8 Ca 0.60 1.58 0.23 0.00 0.43 0.00 0.00 52.55 55.39 1iti s ASP 8 Cb -0.72 -2.49 0.05 0.00 -0.30 0.00 0.00 42.92 39.46 1iti s ASP 8 CO 0.59 0.13 1.07 0.00 -0.17 0.00 0.00 175.17 176.79 1iti n ILE 9 N 2.05 0.51 0.38 4.11 3.06 -1.26 -4.24 119.36 123.97 1iti n ILE 9 Ca -0.04 -0.47 -0.15 0.00 -2.50 0.00 0.00 62.75 59.58 1iti n ILE 9 Cb 0.49 -0.24 -0.07 0.00 0.54 0.00 0.00 39.64 40.36 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 0.00 0.00 9.51 2.02 -2.00 -2.22 112.91 120.22 1iti h THR 10 Ca 0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1iti h THR 10 Cb 0.93 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1iti h THR 10 CO 0.00 0.00 0.59 -0.07 0.37 0.00 0.00 175.52 176.41 1iti h LEU 11 N -1.26 0.00 0.00 2.58 3.38 -1.99 0.17 115.31 118.19 1iti h LEU 11 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1iti h LEU 11 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1iti h LEU 11 CO 0.17 0.00 0.00 1.67 0.09 0.00 0.00 178.44 180.37 1iti n GLN 12 N -2.58 0.00 0.16 1.13 7.27 -0.87 -2.47 117.38 120.02 1iti n GLN 12 Ca -0.01 0.48 0.19 0.00 0.07 0.00 0.00 57.00 57.73 1iti n GLN 12 Cb 0.62 -1.02 0.77 0.00 2.41 0.00 0.00 30.24 33.02 1iti n GLN 12 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 1iti h GLU 13 N 0.00 0.00 0.27 3.69 -0.00 -1.02 -1.40 114.58 116.12 1iti h GLU 13 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1iti h GLU 13 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1iti h GLU 13 CO 0.00 0.00 -0.13 0.82 -0.00 0.00 0.00 179.01 179.70 1iti h ILE 14 N 0.00 0.66 -0.54 -1.06 2.04 -1.08 -2.53 117.51 115.00 1iti h ILE 14 Ca 0.14 -0.81 0.11 0.00 1.00 0.00 0.00 64.86 65.29 1iti h ILE 14 Cb 0.92 1.04 -0.09 0.00 -0.74 0.00 0.00 36.82 37.95 1iti h ILE 14 CO -0.00 0.14 0.01 0.40 0.00 0.00 0.00 178.15 178.71 1iti h ILE 15 N -0.86 0.58 -0.86 -0.67 2.04 -0.94 0.76 117.51 117.57 1iti h ILE 15 Ca -0.04 -0.05 0.11 0.00 1.00 0.00 0.00 64.86 65.88 1iti h ILE 15 Cb 0.51 0.44 -0.08 0.00 -0.74 0.00 0.00 36.82 36.96 1iti h ILE 15 CO 0.06 0.02 0.49 0.11 0.00 0.00 0.00 178.15 178.84 1iti h LYS 16 N 0.13 0.77 -0.02 2.37 1.57 -1.50 -1.69 116.57 118.20 1iti h LYS 16 Ca 0.28 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1iti h LYS 16 Cb 0.42 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1iti h LYS 16 CO -0.44 0.51 -0.00 1.15 -0.57 0.00 0.00 179.45 180.09 1iti h THR 17 N 0.79 0.98 -0.63 -0.16 2.02 -0.42 -2.50 112.91 112.99 1iti h THR 17 Ca 0.42 -0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.73 1iti h THR 17 Cb 0.43 0.97 -0.12 0.00 -1.74 0.00 0.00 68.15 67.70 1iti h THR 17 CO -0.27 0.00 -0.15 -0.07 0.37 0.00 0.00 175.52 175.40 1iti h LEU 18 N 0.00 -0.58 -0.69 2.58 3.38 -0.51 0.23 115.31 119.72 1iti h LEU 18 Ca 0.01 0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.26 1iti h LEU 18 Cb 0.01 0.39 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 1iti h LEU 18 CO -0.02 -0.21 0.34 0.78 0.09 0.00 0.00 178.44 179.43 1iti h ASN 19 N 0.00 0.45 -0.67 -0.43 2.35 -1.13 -0.96 115.58 115.19 1iti h ASN 19 Ca 0.30 0.06 0.14 0.00 -0.55 0.00 0.00 56.30 56.25 1iti h ASN 19 Cb 0.46 -0.02 -0.10 0.00 0.05 0.00 0.00 38.32 38.72 1iti h ASN 19 CO -0.65 0.26 0.15 0.28 -1.65 0.00 0.00 177.43 175.83 1iti h SER 20 N 0.59 0.01 -0.05 5.81 0.02 -0.14 -1.23 113.55 118.56 1iti h SER 20 Ca 0.34 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.41 1iti h SER 20 Cb 0.35 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1iti h SER 20 CO -0.26 -0.01 0.00 -0.07 -1.14 0.00 0.00 176.83 175.35 1iti h LEU 21 N 0.27 0.09 -1.66 5.07 3.38 -0.82 -2.24 115.31 119.40 1iti h LEU 21 Ca 0.37 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1iti h LEU 21 Cb 0.59 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1iti h LEU 21 CO -0.46 0.38 0.52 0.71 0.09 0.00 0.00 178.44 179.68 1iti h THR 22 N -0.20 0.11 0.03 0.22 1.35 -0.20 0.72 112.91 114.94 1iti h THR 22 Ca 0.02 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.64 1iti h THR 22 Cb 0.33 0.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.25 1iti h THR 22 CO 0.00 0.00 -1.16 -0.33 -0.25 0.00 0.00 175.52 173.78 1iti h GLU 23 N 0.00 0.07 -6.29 4.72 5.08 -0.70 -3.45 114.58 114.01 1iti h GLU 23 Ca 0.09 -0.11 -0.56 0.00 -1.00 0.00 0.00 59.36 57.77 1iti h GLU 23 Cb 1.13 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 1iti h GLU 23 CO -0.00 0.99 -0.03 -1.14 -1.00 0.00 0.00 179.01 177.83 1iti s GLN 24 N -2.68 4.15 -0.42 2.33 2.00 0.25 -5.04 119.66 120.25 1iti s GLN 24 Ca -0.01 0.69 0.03 0.00 -2.00 0.00 0.00 55.36 54.07 1iti s GLN 24 Cb 0.09 -3.12 0.17 0.00 0.80 0.00 0.00 33.01 30.94 1iti s GLN 24 CO 0.83 0.57 0.33 0.15 -0.50 0.00 0.00 175.29 176.68 1iti s LYS 25 N -1.42 0.97 0.75 1.67 3.01 -1.26 -4.92 119.74 118.54 1iti s LYS 25 Ca 0.33 -2.09 -0.03 0.00 -1.01 0.00 0.00 55.97 53.16 1iti s LYS 25 Cb -0.18 -1.56 0.13 0.00 -1.01 0.00 0.00 37.83 35.21 1iti s LYS 25 CO 0.19 -1.35 1.04 0.95 0.51 0.00 0.00 175.35 176.69 1iti s THR 26 N 0.09 2.13 0.20 2.17 -4.23 -1.26 -4.96 115.64 109.79 1iti s THR 26 Ca 0.30 -0.50 0.32 0.00 -1.18 0.00 0.00 61.69 60.63 1iti s THR 26 Cb -0.01 -2.62 0.36 0.00 1.34 0.00 0.00 72.50 71.56 1iti s THR 26 CO -0.16 0.00 2.00 0.17 -0.54 0.00 0.00 174.62 176.09 1iti h LEU 27 N -0.68 0.00 0.00 4.79 8.10 -1.95 -2.43 115.31 123.14 1iti h LEU 27 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.61 1iti h LEU 27 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.48 1iti h LEU 27 CO 0.41 0.06 0.00 0.00 -4.11 0.00 0.00 178.44 174.79 1iti n THR 29 N -1.13 0.07 1.22 0.00 -2.24 -0.91 -3.40 114.28 107.88 1iti n THR 29 Ca 0.01 -0.04 0.06 0.00 -2.27 0.00 0.00 64.05 61.80 1iti n THR 29 Cb 0.01 -0.09 0.19 0.00 -2.10 0.00 0.00 70.33 68.33 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 -1.60 1.59 -3.40 -0.78 -0.58 0.24 -4.17 120.64 111.94 1iti n GLU 30 Ca 0.06 -0.92 -0.37 0.00 -0.42 0.00 0.00 57.16 55.51 1iti n GLU 30 Cb 0.35 -1.24 -0.06 0.00 -0.57 0.00 0.00 31.44 29.92 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 -1.13 4.28 -0.33 -4.62 1.43 -1.22 -5.01 118.68 112.08 1iti s LEU 31 Ca 0.21 0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 53.80 1iti s LEU 31 Cb 0.11 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.75 1iti s LEU 31 CO 0.15 0.06 0.87 0.42 0.23 0.00 0.00 176.35 178.08 1iti s THR 32 N 0.42 4.69 0.53 5.49 -4.23 -1.26 -3.01 115.64 118.27 1iti s THR 32 Ca 0.23 1.22 0.01 0.00 -1.18 0.00 0.00 61.69 61.97 1iti s THR 32 Cb -0.15 -4.25 0.03 0.00 1.34 0.00 0.00 72.50 69.47 1iti s THR 32 CO 0.09 -0.39 0.76 0.68 -0.54 0.00 0.00 174.62 175.22 1iti s VAL 33 N 3.22 2.99 0.14 2.29 -7.23 0.31 -4.83 120.40 117.28 1iti s VAL 33 Ca 0.36 -0.59 -0.30 0.00 -1.81 0.00 0.00 61.98 59.63 1iti s VAL 33 Cb -0.13 -3.13 -0.07 0.00 0.56 0.00 0.00 36.38 33.62 1iti s VAL 33 CO 0.15 -0.09 1.12 -0.89 -0.31 0.00 0.00 175.10 175.08 1iti s THR 34 N -2.74 3.97 0.91 5.32 2.01 -1.26 -1.82 115.64 122.03 1iti s THR 34 Ca 0.55 1.60 -0.15 0.00 0.31 0.00 0.00 61.69 64.00 1iti s THR 34 Cb -0.10 -4.02 0.21 0.00 0.01 0.00 0.00 72.50 68.60 1iti s THR 34 CO 0.39 0.23 1.09 -0.67 -0.69 0.00 0.00 174.62 174.96 1iti n ASP 35 N 2.86 -0.50 0.00 3.53 2.03 -1.26 -4.80 116.55 118.42 1iti n ASP 35 Ca 0.04 -1.32 0.00 0.00 0.52 0.00 0.00 54.79 54.04 1iti n ASP 35 Cb 0.47 -0.87 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 1iti n ASP 35 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1iti n ILE 36 N -3.86 0.00 1.47 5.18 -5.35 -1.26 -4.79 119.36 110.75 1iti n ILE 36 Ca 0.14 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.75 1iti n ILE 36 Cb 0.50 0.00 0.72 0.00 -1.74 0.00 0.00 39.64 39.12 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 -1.03 0.00 0.23 4.28 3.72 -1.26 -2.75 117.46 120.65 1iti n PHE 37 Ca 0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 1iti n PHE 37 Cb 0.00 -0.09 0.23 0.00 -0.94 0.00 0.00 39.48 38.68 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 -1.09 2.81 -2.04 4.37 0.00 -1.26 -4.07 120.51 119.23 1iti n ALA 38 Ca 0.17 -0.97 -0.06 0.00 0.00 0.00 0.00 53.44 52.58 1iti n ALA 38 Cb 0.12 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 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 0.68 3.55 -3.00 0.00 0.00 -1.11 -4.83 120.51 115.79 1iti n ALA 39 Ca 0.16 -0.79 -0.44 0.00 0.00 0.00 0.00 53.44 52.37 1iti n ALA 39 Cb 0.57 -0.35 -0.04 0.00 0.00 0.00 0.00 19.45 19.64 1iti n ALA 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1iti s SER 40 N -1.03 6.25 0.00 0.00 0.15 -1.24 -4.92 113.70 112.91 1iti s SER 40 Ca 0.03 -1.39 0.00 0.00 0.70 0.00 0.00 55.95 55.29 1iti s SER 40 Cb 0.03 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1iti s SER 40 CO -0.01 -1.21 0.00 0.29 1.20 0.00 0.00 173.24 173.50 1iti n LYS 41 N 6.78 0.00 0.01 5.44 4.01 -1.26 -4.77 118.16 128.36 1iti n LYS 41 Ca -0.03 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 57.89 1iti n LYS 41 Cb 0.44 -0.00 0.14 0.00 -0.51 0.00 0.00 35.03 35.10 1iti n LYS 41 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1iti n ASP 42 N -0.01 0.63 -4.58 4.39 9.92 -1.26 -4.93 116.55 120.71 1iti n ASP 42 Ca 0.00 -0.37 -0.49 0.00 -0.53 0.00 0.00 54.79 53.41 1iti n ASP 42 Cb 0.00 0.48 -0.04 0.00 -0.64 0.00 0.00 41.12 40.92 1iti n ASP 42 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1iti n THR 43 N -1.61 0.95 -2.62 -3.53 -2.24 -1.26 -4.96 114.28 99.01 1iti n THR 43 Ca 0.04 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.36 1iti n THR 43 Cb 0.36 -0.83 0.10 0.00 -2.10 0.00 0.00 70.33 67.85 1iti n THR 43 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1iti s THR 44 N -0.24 2.18 0.55 4.28 -4.23 -1.26 -4.87 115.64 112.05 1iti s THR 44 Ca 0.72 -0.63 0.31 0.00 -1.18 0.00 0.00 61.69 60.92 1iti s THR 44 Cb -0.85 -2.56 0.46 0.00 1.34 0.00 0.00 72.50 70.89 1iti s THR 44 CO 0.53 0.00 1.89 -0.33 -0.54 0.00 0.00 174.62 176.17 1iti h GLU 45 N -0.43 0.00 0.00 3.99 3.07 -1.99 -1.74 114.58 117.48 1iti h GLU 45 Ca -0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 1iti h GLU 45 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1iti h GLU 45 CO 0.41 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.65 1iti n LYS 46 N -4.15 0.00 0.33 2.33 4.76 -1.26 -1.56 118.16 118.61 1iti n LYS 46 Ca 0.16 0.48 0.15 0.00 -2.87 0.00 0.00 58.31 56.22 1iti n LYS 46 Cb 0.90 -1.45 0.78 0.00 -1.84 0.00 0.00 35.03 33.41 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 0.00 -0.03 1.97 5.08 -1.82 -0.05 114.58 119.72 1iti h GLU 47 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1iti h GLU 47 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1iti h GLU 47 CO 0.00 0.00 -0.04 1.15 -1.00 0.00 0.00 179.01 179.12 1iti h THR 48 N 0.00 1.40 -0.08 1.13 2.02 -0.77 -2.41 112.91 114.20 1iti h THR 48 Ca 0.00 -1.27 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 1iti h THR 48 Cb 0.74 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 1iti h THR 48 CO -0.00 0.34 -0.16 -0.26 0.37 0.00 0.00 175.52 175.81 1iti h PHE 49 N -0.40 0.12 0.55 3.16 0.04 0.03 -2.55 116.94 117.89 1iti h PHE 49 Ca 0.00 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1iti h PHE 49 Cb 0.57 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 38.69 1iti h PHE 49 CO 0.10 0.28 -0.26 0.00 -0.60 0.00 0.00 178.31 177.83 1iti h ARG 51 N -0.94 0.45 -0.02 0.00 3.08 -1.38 0.25 114.38 115.81 1iti h ARG 51 Ca -0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1iti h ARG 51 Cb 0.57 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1iti h ARG 51 CO 0.12 0.30 0.02 0.00 -1.07 0.00 0.00 179.97 179.34 1iti h ALA 52 N 1.75 0.03 -0.66 0.04 0.00 -1.31 -2.57 119.26 116.54 1iti h ALA 52 Ca 0.67 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.54 1iti h ALA 52 Cb 1.44 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1iti h ALA 52 CO -0.49 -0.46 0.29 0.00 0.00 0.00 0.00 179.25 178.60 1iti h ALA 53 N 0.98 0.86 -0.77 0.00 0.00 0.21 -2.50 119.26 118.04 1iti h ALA 53 Ca 0.01 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.93 1iti h ALA 53 Cb 0.03 -0.26 -0.11 0.00 0.00 0.00 0.00 17.79 17.44 1iti h ALA 53 CO -0.00 0.45 0.21 1.15 0.00 0.00 0.00 179.25 181.06 1iti h THR 54 N 0.93 0.51 0.75 0.00 2.02 -0.54 0.22 112.91 116.79 1iti h THR 54 Ca 0.22 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 1iti h THR 54 Cb 0.16 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1iti h THR 54 CO -0.02 0.05 -0.36 0.58 0.37 0.00 0.00 175.52 176.14 1iti h VAL 55 N 0.29 0.08 -1.12 3.16 2.07 -1.07 -2.57 116.25 117.09 1iti h VAL 55 Ca 0.44 -0.23 0.31 0.00 0.82 0.00 0.00 66.70 68.04 1iti h VAL 55 Cb 0.76 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 1iti h VAL 55 CO -0.51 0.01 0.77 -0.07 0.02 0.00 0.00 177.57 177.78 1iti h LEU 56 N -1.22 0.20 0.70 2.57 3.38 -1.03 -0.18 115.31 119.73 1iti h LEU 56 Ca -0.10 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1iti h LEU 56 Cb 0.79 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.55 1iti h LEU 56 CO 0.17 0.03 -0.33 0.03 0.09 0.00 0.00 178.44 178.42 1iti h ARG 57 N 0.17 -0.90 0.00 1.13 3.08 -0.21 -1.69 114.38 115.96 1iti h ARG 57 Ca 0.58 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.69 1iti h ARG 57 Cb 1.93 0.20 0.00 0.00 0.08 0.00 0.00 29.97 32.19 1iti h ARG 57 CO -0.15 -0.60 0.00 0.00 -1.07 0.00 0.00 179.97 178.15 1iti n GLN 58 N -4.62 0.23 -0.01 0.04 10.64 -0.51 -1.55 117.38 121.59 1iti n GLN 58 Ca -0.12 0.09 -0.01 0.00 -1.83 0.00 0.00 57.00 55.13 1iti n GLN 58 Cb 0.37 -1.50 -0.00 0.00 -0.86 0.00 0.00 30.24 28.25 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 -0.19 -3.17 116.94 119.76 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 0.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.78 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 -2.74 0.00 -0.01 0.41 0.18 -0.86 -2.01 117.16 112.13 1iti n TYR 60 Ca -0.01 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.56 1iti n TYR 60 Cb 0.03 -0.19 -0.14 0.00 -0.38 0.00 0.00 39.34 38.67 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 -1.19 2.11 -0.08 9.48 7.64 -0.60 -3.67 113.62 127.31 1iti n SER 61 Ca 0.16 0.22 -0.07 0.00 1.01 0.00 0.00 58.87 60.19 1iti n SER 61 Cb 0.17 -0.87 -0.03 0.00 -1.01 0.00 0.00 64.21 62.48 1iti n SER 61 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1iti n HIS 62 N -3.56 0.96 -0.19 1.43 8.25 -1.20 -4.05 115.22 116.86 1iti n HIS 62 Ca -0.32 0.42 -0.02 0.00 -0.26 0.00 0.00 57.72 57.54 1iti n HIS 62 Cb 1.02 -0.82 0.05 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.30 -1.23 4.41 3.86 -1.59 0.66 115.15 119.95 1iti h HIS 63 Ca -0.05 0.05 0.36 0.00 -1.16 0.00 0.00 60.37 59.57 1iti h HIS 63 Cb 0.62 0.22 -0.05 0.00 1.06 0.00 0.00 27.41 29.26 1iti h HIS 63 CO -0.17 -0.24 0.91 1.49 0.86 0.00 0.00 177.93 180.77 1iti h GLU 64 N -0.00 0.00 0.00 2.45 4.81 -1.70 1.24 114.58 121.38 1iti h GLU 64 Ca 0.27 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.44 1iti h GLU 64 Cb 0.41 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1iti h GLU 64 CO -0.58 0.00 -1.14 0.87 -0.73 0.00 0.00 179.01 177.43 1iti h LYS 65 N 0.00 0.00 -6.83 1.92 1.57 0.12 -3.46 116.57 109.88 1iti h LYS 65 Ca 0.58 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.88 1iti h LYS 65 Cb 2.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.70 1iti h LYS 65 CO -0.01 0.11 0.14 0.34 -0.57 0.00 0.00 179.45 179.46 1iti s ASP 66 N -5.52 6.67 -0.52 0.86 -1.08 0.43 -4.96 116.67 112.54 1iti s ASP 66 Ca -0.01 1.27 -0.02 0.00 -0.52 0.00 0.00 52.55 53.26 1iti s ASP 66 Cb 0.09 -2.37 0.22 0.00 -1.46 0.00 0.00 42.92 39.40 1iti s ASP 66 CO 0.80 -0.33 2.31 1.07 0.52 0.00 0.00 175.17 179.54 1iti n THR 67 N -0.87 3.27 -0.10 1.71 5.66 -1.26 -4.44 114.28 118.25 1iti n THR 67 Ca 0.04 -2.82 -0.15 0.00 -3.05 0.00 0.00 64.05 58.06 1iti n THR 67 Cb 0.54 -1.39 -0.06 0.00 -1.55 0.00 0.00 70.33 67.87 1iti n THR 67 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1iti n ARG 68 N 0.17 0.53 -0.28 1.09 1.74 -1.26 -4.34 116.66 114.31 1iti n ARG 68 Ca 0.47 0.36 0.04 0.00 -0.77 0.00 0.00 57.85 57.95 1iti n ARG 68 Cb 0.52 -1.56 0.16 0.00 -1.02 0.00 0.00 32.46 30.56 1iti n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iti n LEU 70 N 0.33 2.02 0.00 0.00 4.77 -1.26 -4.77 117.00 118.08 1iti n LEU 70 Ca 0.11 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1iti n LEU 70 Cb 0.48 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1iti n LEU 70 CO 0.11 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1iti n GLY 71 N 1.49 0.43 0.00 -0.72 0.00 -1.26 -3.80 105.19 101.34 1iti n GLY 71 Ca -0.38 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 6.50 1.02 -0.67 4.61 0.00 -1.26 -4.99 120.51 125.72 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 0.25 0.00 0.00 0.00 177.50 177.75 1iti n THR 73 N -1.02 0.00 1.06 0.00 -2.24 -1.26 -4.86 114.28 105.96 1iti n THR 73 Ca 0.00 -0.30 0.12 0.00 -2.27 0.00 0.00 64.05 61.60 1iti n THR 73 Cb 0.00 -0.62 0.28 0.00 -2.10 0.00 0.00 70.33 67.89 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 -4.41 3.43 0.02 6.98 0.00 -1.26 -3.36 120.51 121.91 1iti n ALA 74 Ca 0.01 -0.36 -0.22 0.00 0.00 0.00 0.00 53.44 52.87 1iti n ALA 74 Cb 0.61 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 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 0.31 0.29 0.00 0.00 3.07 -1.98 -3.31 115.11 113.49 1iti h GLN 75 Ca 0.00 -0.49 -0.14 0.00 0.09 0.00 0.00 58.65 58.11 1iti h GLN 75 Cb 0.50 0.18 -0.02 0.00 0.08 0.00 0.00 27.48 28.22 1iti h GLN 75 CO 0.00 1.23 -0.69 1.96 0.09 0.00 0.00 178.83 181.42 1iti h GLN 76 N 0.08 0.00 -0.14 0.06 4.20 -1.87 -1.79 115.11 115.65 1iti h GLN 76 Ca -0.41 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.30 1iti h GLN 76 Cb 2.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.82 1iti h GLN 76 CO 0.10 0.69 0.07 0.35 -0.67 0.00 0.00 178.83 179.37 1iti h PHE 77 N 0.00 0.20 0.18 2.96 3.57 -1.65 -1.40 116.94 120.80 1iti h PHE 77 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1iti h PHE 77 Cb 1.24 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1iti h PHE 77 CO 0.00 0.23 -0.09 1.25 -2.23 0.00 0.00 178.31 177.47 1iti h HIS 78 N 0.12 -0.23 -0.40 0.41 2.76 -1.64 -2.69 115.15 113.48 1iti h HIS 78 Ca 0.05 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.33 1iti h HIS 78 Cb 0.10 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 1iti h HIS 78 CO -0.03 0.17 0.70 -0.09 -1.30 0.00 0.00 177.93 177.38 1iti h ARG 79 N -0.91 0.00 0.00 5.26 2.43 -1.36 -0.14 114.38 119.67 1iti h ARG 79 Ca -0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1iti h ARG 79 Cb 0.50 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1iti h ARG 79 CO 0.04 0.00 -0.05 1.25 -1.51 0.00 0.00 179.97 179.70 1iti h HIS 80 N 0.00 0.00 -0.75 2.20 2.76 -1.13 -3.12 115.15 115.12 1iti h HIS 80 Ca 0.19 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.52 1iti h HIS 80 Cb 1.59 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 30.45 1iti h HIS 80 CO 0.00 0.42 0.22 0.87 -1.30 0.00 0.00 177.93 178.13 1iti h LYS 81 N -1.00 0.30 -0.74 5.26 1.79 -0.72 0.16 116.57 121.63 1iti h LYS 81 Ca -0.01 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.51 1iti h LYS 81 Cb 0.43 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 30.95 1iti h LYS 81 CO -0.01 0.20 0.43 0.37 -1.08 0.00 0.00 179.45 179.36 1iti h GLN 82 N 0.31 0.75 0.49 3.15 4.15 -1.45 -2.56 115.11 119.95 1iti h GLN 82 Ca 0.42 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.78 1iti h GLN 82 Cb 0.71 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 1iti h GLN 82 CO -0.49 0.50 -0.40 1.25 -1.93 0.00 0.00 178.83 177.76 1iti h LEU 83 N 0.77 -1.06 -1.87 -2.39 6.46 -0.63 -0.47 115.31 116.13 1iti h LEU 83 Ca 0.33 0.08 0.33 0.00 -0.12 0.00 0.00 57.88 58.50 1iti h LEU 83 Cb 0.20 0.34 -0.05 0.00 -0.73 0.00 0.00 40.66 40.42 1iti h LEU 83 CO -0.19 -0.58 0.91 0.40 -0.62 0.00 0.00 178.44 178.36 1iti h ILE 84 N -0.88 0.30 0.00 4.05 1.08 -1.04 0.20 117.51 121.22 1iti h ILE 84 Ca -0.05 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1iti h ILE 84 Cb 0.76 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 34.85 1iti h ILE 84 CO -0.01 0.00 -0.00 -0.09 -0.69 0.00 0.00 178.15 177.36 1iti h ARG 85 N 0.00 -0.00 -0.45 2.37 9.65 -0.71 -1.41 114.38 123.82 1iti h ARG 85 Ca 0.54 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 59.50 1iti h ARG 85 Cb 2.35 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 30.86 1iti h ARG 85 CO -0.01 0.50 0.01 0.74 2.80 0.00 0.00 179.97 184.01 1iti h PHE 86 N -0.51 -0.01 0.68 2.20 0.04 -0.21 -1.06 116.94 118.07 1iti h PHE 86 Ca -0.00 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 1iti h PHE 86 Cb 0.50 0.07 0.01 0.00 2.20 0.00 0.00 35.95 38.73 1iti h PHE 86 CO 0.10 -0.08 -0.33 -0.07 -0.60 0.00 0.00 178.31 177.33 1iti h LEU 87 N 0.12 -0.77 -1.21 1.54 3.38 -1.49 -1.27 115.31 115.61 1iti h LEU 87 Ca 0.22 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1iti h LEU 87 Cb 0.32 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1iti h LEU 87 CO -0.36 -0.48 0.49 0.11 0.09 0.00 0.00 178.44 178.29 1iti h LYS 88 N -1.03 0.00 0.00 1.13 1.57 -0.88 0.41 116.57 117.77 1iti h LYS 88 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1iti h LYS 88 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1iti h LYS 88 CO 0.15 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 176.90 1iti n ARG 89 N -2.55 0.00 -0.30 3.15 0.63 -0.44 -4.03 116.66 113.13 1iti n ARG 89 Ca -0.01 0.06 0.22 0.00 -0.92 0.00 0.00 57.85 57.20 1iti n ARG 89 Cb 0.51 -0.37 0.52 0.00 0.45 0.00 0.00 32.46 33.57 1iti n ARG 89 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 1iti h LEU 90 N 0.00 0.42 -1.22 6.15 8.10 -1.14 0.33 115.31 127.95 1iti h LEU 90 Ca 0.00 0.07 0.21 0.00 0.11 0.00 0.00 57.88 58.27 1iti h LEU 90 Cb 0.00 -0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.12 1iti h LEU 90 CO 0.00 0.11 0.62 -0.78 -4.11 0.00 0.00 178.44 174.28 1iti h ASP 91 N 0.38 0.61 0.92 0.17 3.58 -0.37 0.24 116.42 121.95 1iti h ASP 91 Ca 0.56 0.08 -0.22 0.00 0.42 0.00 0.00 57.03 57.87 1iti h ASP 91 Cb 1.45 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.44 1iti h ASP 91 CO -0.25 0.20 -1.10 0.03 -2.88 0.00 0.00 179.24 175.24 1iti h ARG 92 N 0.59 0.00 0.19 0.28 2.47 -0.49 -3.29 114.38 114.13 1iti h ARG 92 Ca 0.56 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 59.26 1iti h ARG 92 Cb 1.11 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1iti h ARG 92 CO -0.31 0.93 -0.11 -0.91 0.56 0.00 0.00 179.97 180.13 1iti h ASN 93 N 0.00 -0.28 0.01 7.04 2.35 -0.14 -0.76 115.58 123.81 1iti h ASN 93 Ca -0.05 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1iti h ASN 93 Cb 1.81 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 40.26 1iti h ASN 93 CO 0.12 -0.19 -0.02 -0.07 -1.65 0.00 0.00 177.43 175.63 1iti h LEU 94 N -0.29 -0.05 -1.04 1.61 3.38 -1.43 0.14 115.31 117.62 1iti h LEU 94 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1iti h LEU 94 Cb 0.24 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1iti h LEU 94 CO 0.02 -0.02 0.61 -0.25 0.09 0.00 0.00 178.44 178.89 1iti h TRP 95 N -0.03 0.00 0.13 1.13 2.91 -1.62 0.23 115.95 118.69 1iti h TRP 95 Ca -0.00 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1iti h TRP 95 Cb 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 1iti h TRP 95 CO -0.19 0.00 -0.06 0.78 -1.03 0.00 0.00 178.44 177.94 1iti h GLY 96 N 0.00 -0.18 2.00 2.65 0.00 0.82 -2.65 103.07 105.71 1iti h GLY 96 Ca 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 1iti h GLY 96 CO 0.00 -0.06 -0.61 0.17 0.00 0.00 0.00 176.54 176.04 1iti h LEU 97 N -0.78 0.00 -0.34 3.11 8.10 0.01 -3.25 115.31 122.16 1iti h LEU 97 Ca -0.02 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.96 1iti h LEU 97 Cb 0.55 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.75 1iti h LEU 97 CO 0.03 0.61 0.15 0.00 -4.11 0.00 0.00 178.44 175.12 1iti h ALA 98 N 1.39 0.44 -5.47 0.17 0.00 -0.75 -3.48 119.26 111.56 1iti h ALA 98 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1iti h ALA 98 Cb 1.37 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1iti h ALA 98 CO 0.08 0.02 -0.96 0.41 0.00 0.00 0.00 179.25 178.80 1iti n GLY 99 N -0.82 -2.95 3.31 0.00 0.00 -1.00 -4.98 105.19 98.75 1iti n GLY 99 Ca -0.01 0.47 -0.10 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.62 1.08 0.00 0.99 1.43 -1.26 -5.10 118.68 114.20 1iti s LEU 100 Ca 0.04 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1iti s LEU 100 Cb -0.01 0.95 0.00 0.00 0.03 0.00 0.00 46.19 47.16 1iti s LEU 100 CO 0.62 -0.88 0.00 0.59 0.23 0.00 0.00 176.35 176.90 1iti n ASN 101 N -0.22 0.00 -4.70 2.29 3.02 -1.26 -5.03 115.26 109.37 1iti n ASN 101 Ca -0.05 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.11 1iti n ASN 101 Cb 0.63 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.75 1iti n ASN 101 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1iti s SER 102 N -1.61 6.74 -0.46 6.41 1.04 -1.26 -4.97 113.70 119.58 1iti s SER 102 Ca 0.00 0.89 0.07 0.00 0.48 0.00 0.00 55.95 57.38 1iti s SER 102 Cb 0.00 -2.33 0.26 0.00 0.10 0.00 0.00 66.02 64.05 1iti s SER 102 CO 0.00 -0.12 0.83 0.00 0.98 0.00 0.00 173.24 174.94 1iti s PRO 104 N 0.06 2.33 0.64 0.00 0.05 -1.26 -4.95 135.00 131.87 1iti s PRO 104 Ca 0.32 1.73 0.01 0.00 0.05 0.00 0.00 61.00 63.11 1iti s PRO 104 Cb 0.23 -1.86 0.09 0.00 0.05 0.00 0.00 34.50 33.01 1iti s PRO 104 CO -0.18 -1.69 0.89 0.54 0.05 0.00 0.00 177.00 176.61 1iti s VAL 105 N -1.96 2.33 0.00 -0.36 0.11 -1.26 -5.04 120.40 114.21 1iti s VAL 105 Ca 0.74 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 1iti s VAL 105 Cb -0.28 -2.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.91 1iti s VAL 105 CO 0.43 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 173.37 1iti n LYS 106 N -2.58 0.00 -2.99 1.54 4.81 -1.26 -5.18 118.16 112.49 1iti n LYS 106 Ca 0.13 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.48 1iti n LYS 106 Cb 0.60 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.64 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 0.50 0.00 1.64 1.02 -1.26 -5.18 120.64 117.36 1iti n GLU 107 Ca 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 57.16 55.47 1iti n GLU 107 Cb 0.00 1.70 0.00 0.00 -0.02 0.00 0.00 31.44 33.12 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 -1.54 0.00 -1.00 0.62 0.00 -1.26 -4.94 120.51 112.39 1iti n ALA 108 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1iti n ALA 108 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 -3.61 0.00 8.00 -1.26 -4.68 116.55 115.00 1iti n ASP 109 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 1iti n ASP 109 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1iti n ASP 109 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1iti s GLN 110 N 0.00 0.90 -0.09 -1.24 -0.21 -1.26 -4.25 119.66 113.52 1iti s GLN 110 Ca 0.00 0.21 -0.12 0.00 0.02 0.00 0.00 55.36 55.47 1iti s GLN 110 Cb 0.00 0.42 0.03 0.00 1.00 0.00 0.00 33.01 34.46 1iti s GLN 110 CO 0.00 -0.26 0.32 -1.54 -2.12 0.00 0.00 175.29 171.69 1iti s SER 111 N -1.03 -0.29 0.28 5.90 1.04 -0.75 -4.76 113.70 114.09 1iti s SER 111 Ca -0.10 0.47 -0.29 0.00 0.48 0.00 0.00 55.95 56.50 1iti s SER 111 Cb -0.02 0.55 -0.09 0.00 0.10 0.00 0.00 66.02 66.56 1iti s SER 111 CO 0.07 -0.22 1.08 0.42 0.98 0.00 0.00 173.24 175.57 1iti s THR 112 N -0.32 3.55 0.56 2.02 -4.23 -1.26 -0.53 115.64 115.43 1iti s THR 112 Ca -0.04 1.55 0.35 0.00 -1.18 0.00 0.00 61.69 62.36 1iti s THR 112 Cb -0.03 -3.98 0.51 0.00 1.34 0.00 0.00 72.50 70.33 1iti s THR 112 CO 0.02 0.36 1.74 0.25 -0.54 0.00 0.00 174.62 176.45 1iti h LEU 113 N 3.81 0.00 0.00 4.79 5.85 -1.70 0.29 115.31 128.35 1iti h LEU 113 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1iti h LEU 113 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1iti h LEU 113 CO 0.67 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 179.98 1iti n GLU 114 N -3.92 0.00 -0.25 1.25 2.13 -1.26 -2.20 120.64 116.39 1iti n GLU 114 Ca 0.23 0.23 0.05 0.00 0.66 0.00 0.00 57.16 58.33 1iti n GLU 114 Cb 1.21 -0.94 0.18 0.00 0.27 0.00 0.00 31.44 32.15 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 0.04 -0.72 4.31 2.35 -1.86 0.14 115.58 119.84 1iti h ASN 115 Ca 0.00 0.14 0.16 0.00 -0.55 0.00 0.00 56.30 56.05 1iti h ASN 115 Cb 0.00 0.19 -0.11 0.00 0.05 0.00 0.00 38.32 38.45 1iti h ASN 115 CO 0.00 -0.03 0.15 0.15 -1.65 0.00 0.00 177.43 176.05 1iti h PHE 116 N 0.28 0.22 0.00 1.19 3.04 -0.56 0.54 116.94 121.65 1iti h PHE 116 Ca 0.41 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 62.32 1iti h PHE 116 Cb 0.70 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 1iti h PHE 116 CO -0.25 -0.10 -0.41 -0.07 -2.02 0.00 0.00 178.31 175.46 1iti h LEU 117 N 0.24 0.00 0.45 0.59 3.38 -0.28 -2.03 115.31 117.66 1iti h LEU 117 Ca 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 1iti h LEU 117 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1iti h LEU 117 CO -0.52 0.41 -0.21 -0.08 0.09 0.00 0.00 178.44 178.12 1iti h GLU 118 N 0.00 -0.58 -0.90 1.13 4.81 0.11 0.18 114.58 119.33 1iti h GLU 118 Ca -0.00 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.42 1iti h GLU 118 Cb 0.74 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.18 1iti h GLU 118 CO 0.05 -0.38 0.58 0.07 -0.73 0.00 0.00 179.01 178.60 1iti h ARG 119 N -0.78 0.66 0.62 1.92 0.11 -1.24 0.11 114.38 115.78 1iti h ARG 119 Ca -0.06 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 59.95 1iti h ARG 119 Cb 0.46 -0.15 0.01 0.00 1.11 0.00 0.00 29.97 31.40 1iti h ARG 119 CO 0.10 0.44 -0.30 1.25 0.10 0.00 0.00 179.97 181.56 1iti h LEU 120 N 0.68 -0.70 -0.79 0.08 6.46 -1.29 -0.08 115.31 119.67 1iti h LEU 120 Ca 0.46 0.02 0.16 0.00 -0.12 0.00 0.00 57.88 58.40 1iti h LEU 120 Cb 0.76 0.18 -0.10 0.00 -0.73 0.00 0.00 40.66 40.77 1iti h LEU 120 CO -0.22 -0.38 0.31 0.50 -0.62 0.00 0.00 178.44 178.03 1iti h LYS 121 N -1.07 0.41 0.26 1.25 3.11 -0.18 -0.50 116.57 119.85 1iti h LYS 121 Ca -0.09 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.72 1iti h LYS 121 Cb 0.64 -0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.77 1iti h LYS 121 CO 0.14 0.27 -0.14 1.15 -2.81 0.00 0.00 179.45 178.07 1iti h THR 122 N 0.43 0.72 -0.84 1.00 2.02 -0.74 -1.97 112.91 113.52 1iti h THR 122 Ca 0.44 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.76 1iti h THR 122 Cb 0.72 0.72 -0.09 0.00 -1.74 0.00 0.00 68.15 67.75 1iti h THR 122 CO -0.44 0.00 0.44 0.40 0.37 0.00 0.00 175.52 176.29 1iti h ILE 123 N -0.37 0.78 0.11 3.11 2.04 0.27 -0.17 117.51 123.29 1iti h ILE 123 Ca -0.03 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.61 1iti h ILE 123 Cb 0.29 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 1iti h ILE 123 CO 0.05 0.12 -0.18 0.24 0.00 0.00 0.00 178.15 178.38 1iti h MET 124 N 0.66 -0.34 0.00 2.37 2.86 -0.64 0.81 114.93 120.65 1iti h MET 124 Ca 0.44 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 1iti h MET 124 Cb 0.57 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1iti h MET 124 CO -0.33 -0.23 0.00 0.00 1.06 0.00 0.00 176.91 177.41 1iti h ARG 125 N -0.35 0.00 0.18 1.72 3.08 -0.56 0.32 114.38 118.77 1iti h ARG 125 Ca 0.02 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.82 1iti h ARG 125 Cb 0.37 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.44 1iti h ARG 125 CO -0.09 0.00 -1.11 1.49 -1.07 0.00 0.00 179.97 179.19 1iti h GLU 126 N 0.00 0.39 -0.00 0.04 4.81 0.86 -3.30 114.58 117.37 1iti h GLU 126 Ca 0.00 -0.66 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 1iti h GLU 126 Cb 0.17 0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1iti h GLU 126 CO 0.00 1.32 -0.47 1.63 -0.73 0.00 0.00 179.01 180.76 1iti n LYS 127 N -3.96 0.10 0.00 1.92 5.02 -0.26 -3.84 118.16 117.14 1iti n LYS 127 Ca -0.16 -0.06 0.01 0.00 -2.02 0.00 0.00 58.31 56.08 1iti n LYS 127 Cb 0.93 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.50 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 -1.40 0.00 0.00 2.13 9.36 0.11 -4.08 117.16 123.28 1iti n TYR 128 Ca 0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.28 1iti n TYR 128 Cb 0.34 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.05 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 -0.56 0.00 0.00 2.98 3.41 -1.25 -4.01 113.62 114.19 1iti n SER 129 Ca 0.01 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1iti n SER 129 Cb 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 -0.59 0.00 -0.02 4.33 2.85 -1.26 -2.30 118.16 121.17 1iti n LYS 130 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1iti n LYS 130 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 1iti n LYS 130 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iti s SER 132 N -5.85 6.40 0.00 0.00 0.01 -1.18 -5.13 113.70 107.96 1iti s SER 132 Ca -0.16 -1.75 0.29 0.00 1.31 0.00 0.00 55.95 55.64 1iti s SER 132 Cb -0.00 -2.33 1.21 0.00 0.21 0.00 0.00 66.02 65.10 1iti s SER 132 CO 0.63 -1.07 1.83 -0.24 0.41 0.00 0.00 173.24 174.81