#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 3.27 -1.66 -1.84 0.00 -1.26 -4.86 121.76 115.41 1iti s ALA 2 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 49.89 1iti s ALA 2 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1iti s ALA 2 CO 0.00 -2.58 0.79 0.39 0.00 0.00 0.00 175.76 174.35 1iti n GLU 3 N 7.00 0.95 0.00 0.00 1.02 -1.26 -4.83 120.64 123.53 1iti n GLU 3 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1iti n GLU 3 Cb 0.44 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 1iti n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iti n ALA 4 N -0.32 0.00 -1.97 0.62 0.00 -1.26 -5.17 120.51 112.41 1iti n ALA 4 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1iti n ALA 4 Cb 0.08 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.69 1iti n ALA 4 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1iti s HIS 5 N -0.70 1.30 -0.08 0.00 3.76 -1.26 -5.00 115.29 113.31 1iti s HIS 5 Ca 0.00 -0.07 0.14 0.00 -0.15 0.00 0.00 55.06 54.98 1iti s HIS 5 Cb 0.00 -3.63 -0.10 0.00 1.11 0.00 0.00 32.58 29.96 1iti s HIS 5 CO 0.00 -2.35 1.10 -0.22 -0.85 0.00 0.00 174.74 172.41 1iti h LYS 6 N -1.20 0.00 -6.24 1.40 3.64 -2.02 -3.46 116.57 108.69 1iti h LYS 6 Ca -0.39 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.29 1iti h LYS 6 Cb 1.24 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 33.11 1iti h LYS 6 CO 0.35 0.53 0.44 0.00 -2.27 0.00 0.00 179.45 178.50 1iti s ASP 8 N 0.62 7.45 0.13 0.00 -1.08 -1.26 -4.93 116.67 117.59 1iti s ASP 8 Ca 0.86 1.98 0.22 0.00 -0.52 0.00 0.00 52.55 55.09 1iti s ASP 8 Cb -0.99 -2.60 -0.07 0.00 -1.46 0.00 0.00 42.92 37.80 1iti s ASP 8 CO 0.49 -0.06 0.91 0.00 0.52 0.00 0.00 175.17 177.03 1iti n ILE 9 N 2.11 0.41 -0.22 4.11 3.06 -1.26 -4.10 119.36 123.48 1iti n ILE 9 Ca 0.01 -0.50 -0.09 0.00 -2.50 0.00 0.00 62.75 59.68 1iti n ILE 9 Cb 0.47 -0.19 0.03 0.00 0.54 0.00 0.00 39.64 40.49 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 1.26 0.00 9.51 2.02 -1.99 -1.78 112.91 121.93 1iti h THR 10 Ca 0.00 -1.04 -0.00 0.00 0.77 0.00 0.00 66.41 66.14 1iti h THR 10 Cb 0.96 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1iti h THR 10 CO 0.00 0.38 -0.02 -0.07 0.37 0.00 0.00 175.52 176.18 1iti h LEU 11 N 0.93 0.00 0.02 2.58 3.38 -1.99 0.18 115.31 120.42 1iti h LEU 11 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1iti h LEU 11 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1iti h LEU 11 CO 0.02 0.02 -0.01 -0.61 0.09 0.00 0.00 178.44 177.94 1iti h GLN 12 N 0.00 -0.03 -0.09 1.13 4.15 -1.52 -2.75 115.11 116.00 1iti h GLN 12 Ca -0.00 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.45 1iti h GLN 12 Cb 0.12 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1iti h GLN 12 CO 0.00 -0.02 0.13 1.05 -1.93 0.00 0.00 178.83 178.07 1iti h GLU 13 N -0.57 0.00 0.24 1.69 -0.00 -1.41 -2.21 114.58 112.32 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 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.78 1iti h GLU 13 CO 0.01 0.00 -0.11 0.82 -0.00 0.00 0.00 179.01 179.72 1iti h ILE 14 N 0.00 0.70 -0.18 -1.06 2.04 -1.04 -2.37 117.51 115.59 1iti h ILE 14 Ca 0.04 -0.90 0.05 0.00 1.00 0.00 0.00 64.86 65.05 1iti h ILE 14 Cb 0.31 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 1iti h ILE 14 CO -0.00 0.16 -0.20 0.40 0.00 0.00 0.00 178.15 178.51 1iti h ILE 15 N -0.86 0.48 -0.98 -0.67 2.04 -1.09 0.24 117.51 116.67 1iti h ILE 15 Ca -0.03 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.00 1iti h ILE 15 Cb 0.51 0.48 -0.09 0.00 -0.74 0.00 0.00 36.82 36.98 1iti h ILE 15 CO 0.05 0.00 0.61 0.50 0.00 0.00 0.00 178.15 179.32 1iti h LYS 16 N -0.23 0.72 -0.63 2.37 3.64 -1.52 0.68 116.57 121.61 1iti h LYS 16 Ca 0.12 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1iti h LYS 16 Cb 0.40 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1iti h LYS 16 CO -0.32 0.48 0.33 1.15 -2.27 0.00 0.00 179.45 178.82 1iti h THR 17 N 0.74 1.20 -0.64 1.00 2.02 -0.42 -1.91 112.91 114.91 1iti h THR 17 Ca 0.53 -0.53 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1iti h THR 17 Cb 0.85 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1iti h THR 17 CO -0.30 0.23 0.42 -0.07 0.37 0.00 0.00 175.52 176.16 1iti h LEU 18 N 0.85 0.60 0.11 2.58 3.38 -0.03 -2.16 115.31 120.65 1iti h LEU 18 Ca 0.22 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1iti h LEU 18 Cb 0.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1iti h LEU 18 CO -0.03 0.40 -0.05 0.78 0.09 0.00 0.00 178.44 179.63 1iti h ASN 19 N 0.69 -0.13 -0.81 -0.43 2.35 -0.91 -2.63 115.58 113.72 1iti h ASN 19 Ca 0.27 -0.24 0.17 0.00 -0.55 0.00 0.00 56.30 55.95 1iti h ASN 19 Cb 0.18 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 1iti h ASN 19 CO -0.08 0.17 0.54 0.28 -1.65 0.00 0.00 177.43 176.70 1iti h SER 20 N -0.44 0.36 0.00 5.81 0.02 -0.98 -1.01 113.55 117.33 1iti h SER 20 Ca -0.02 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1iti h SER 20 Cb 0.36 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1iti h SER 20 CO 0.03 0.17 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.81 1iti h LEU 21 N 0.38 -0.00 -0.60 5.07 3.38 -1.07 -2.94 115.31 119.53 1iti h LEU 21 Ca 0.40 -0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.29 1iti h LEU 21 Cb 1.01 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.67 1iti h LEU 21 CO -0.13 0.20 0.08 0.71 0.09 0.00 0.00 178.44 179.39 1iti h THR 22 N -0.21 0.59 -1.19 0.22 1.35 -0.85 0.34 112.91 113.17 1iti h THR 22 Ca -0.00 -0.07 0.34 0.00 -0.55 0.00 0.00 66.41 66.13 1iti h THR 22 Cb 0.21 0.37 -0.07 0.00 -1.73 0.00 0.00 68.15 66.93 1iti h THR 22 CO 0.00 0.04 0.83 -0.33 -0.25 0.00 0.00 175.52 175.80 1iti h GLU 23 N 0.20 0.12 -6.20 4.72 4.39 -1.30 -3.38 114.58 113.13 1iti h GLU 23 Ca 0.31 -0.01 -0.58 0.00 0.34 0.00 0.00 59.36 59.43 1iti h GLU 23 Cb 0.49 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 1iti h GLU 23 CO -0.44 0.08 -0.25 -0.65 -1.16 0.00 0.00 179.01 176.59 1iti s GLN 24 N -5.13 3.71 -0.14 2.33 1.11 0.12 -5.09 119.66 116.57 1iti s GLN 24 Ca -0.06 0.09 -0.11 0.00 0.01 0.00 0.00 55.36 55.28 1iti s GLN 24 Cb 0.24 -2.87 0.04 0.00 -1.01 0.00 0.00 33.01 29.42 1iti s GLN 24 CO 0.81 0.47 0.37 0.15 0.01 0.00 0.00 175.29 177.10 1iti s LYS 25 N -2.40 0.40 0.20 2.91 1.02 -1.26 -4.94 119.74 115.68 1iti s LYS 25 Ca 0.39 0.58 0.01 0.00 0.02 0.00 0.00 55.97 56.98 1iti s LYS 25 Cb -0.13 0.12 -0.01 0.00 -0.52 0.00 0.00 37.83 37.30 1iti s LYS 25 CO 0.21 -0.09 0.24 0.25 -0.92 0.00 0.00 175.35 175.04 1iti n THR 26 N 3.35 0.00 1.41 2.17 -2.24 -1.26 -5.02 114.28 112.70 1iti n THR 26 Ca -0.17 -1.24 0.15 0.00 -2.27 0.00 0.00 64.05 60.53 1iti n THR 26 Cb 0.56 0.68 0.74 0.00 -2.10 0.00 0.00 70.33 70.22 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 0.05 0.05 3.22 -0.00 -1.26 -3.21 117.00 115.85 1iti n LEU 27 Ca 0.02 0.26 0.08 0.00 -0.00 0.00 0.00 56.01 56.38 1iti n LEU 27 Cb 0.35 -0.28 0.37 0.00 -0.00 0.00 0.00 43.42 43.86 1iti n LEU 27 CO 0.18 0.01 0.76 0.00 -0.00 0.00 0.00 177.39 178.34 1iti h THR 29 N 0.00 1.28 0.00 0.00 1.35 -1.98 -2.90 112.91 110.65 1iti h THR 29 Ca 0.00 -2.03 0.00 0.00 -0.55 0.00 0.00 66.41 63.83 1iti h THR 29 Cb 0.26 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1iti h THR 29 CO 0.00 0.64 0.30 -0.33 -0.25 0.00 0.00 175.52 175.88 1iti h GLU 30 N 0.52 0.00 -6.52 4.72 4.39 -1.74 -3.29 114.58 112.66 1iti h GLU 30 Ca -0.07 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.10 1iti h GLU 30 Cb 1.47 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.14 1iti h GLU 30 CO 0.17 0.00 0.73 -0.51 -1.16 0.00 0.00 179.01 178.25 1iti s LEU 31 N -4.53 4.36 -0.18 1.33 1.43 -1.10 -4.93 118.68 115.07 1iti s LEU 31 Ca -0.02 2.28 -0.23 0.00 -1.03 0.00 0.00 54.13 55.14 1iti s LEU 31 Cb 0.05 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.67 1iti s LEU 31 CO 0.16 -0.66 0.72 0.42 0.23 0.00 0.00 176.35 177.23 1iti s THR 32 N 1.30 4.96 0.75 5.49 -4.23 -1.26 -3.31 115.64 119.33 1iti s THR 32 Ca 0.64 1.40 -0.00 0.00 -1.18 0.00 0.00 61.69 62.55 1iti s THR 32 Cb -0.36 -4.04 0.15 0.00 1.34 0.00 0.00 72.50 69.59 1iti s THR 32 CO 0.30 0.08 1.02 0.68 -0.54 0.00 0.00 174.62 176.16 1iti s VAL 33 N 1.96 2.01 -0.46 2.29 -7.23 0.14 -4.79 120.40 114.32 1iti s VAL 33 Ca 0.33 -0.63 -0.20 0.00 -1.81 0.00 0.00 61.98 59.68 1iti s VAL 33 Cb -0.16 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.43 1iti s VAL 33 CO 0.12 0.00 0.62 -0.89 -0.31 0.00 0.00 175.10 174.63 1iti s THR 34 N -3.18 4.86 0.95 5.32 2.01 -1.26 -1.23 115.64 123.11 1iti s THR 34 Ca 0.68 -0.10 -0.11 0.00 0.31 0.00 0.00 61.69 62.47 1iti s THR 34 Cb -0.04 -4.22 0.14 0.00 0.01 0.00 0.00 72.50 68.39 1iti s THR 34 CO 0.45 -0.64 0.98 -0.67 -0.69 0.00 0.00 174.62 174.05 1iti n ASP 35 N 6.19 -0.33 0.00 3.53 -0.08 -1.24 -4.87 116.55 119.75 1iti n ASP 35 Ca -0.03 0.35 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 1iti n ASP 35 Cb 0.47 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 42.53 1iti n ASP 35 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1iti n ILE 36 N -4.20 0.00 0.28 5.18 -5.35 -1.26 -4.55 119.36 109.46 1iti n ILE 36 Ca 0.10 -0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.69 1iti n ILE 36 Cb 0.53 1.71 -0.07 0.00 -1.74 0.00 0.00 39.64 40.07 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 -0.00 0.29 0.87 4.28 3.72 -1.26 -4.14 117.46 121.21 1iti n PHE 37 Ca 0.00 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1iti n PHE 37 Cb 0.32 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 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 -2.04 2.35 -1.42 4.37 0.00 -1.26 -2.66 120.51 119.85 1iti n ALA 38 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1iti n ALA 38 Cb 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 0.46 1.05 -1.53 0.00 0.00 -1.26 -4.90 120.51 114.33 1iti n ALA 39 Ca 0.00 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1iti n ALA 39 Cb 0.39 -0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 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 0.00 2.34 0.00 0.00 2.88 -1.09 -4.61 113.62 113.14 1iti n SER 40 Ca 0.00 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1iti n SER 40 Cb 0.51 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 1iti n SER 40 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1iti n LYS 41 N 8.68 0.00 -0.06 -1.46 5.02 -1.26 -4.93 118.16 124.15 1iti n LYS 41 Ca 0.39 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.80 1iti n LYS 41 Cb 0.38 0.00 0.36 0.00 -0.02 0.00 0.00 35.03 35.76 1iti n LYS 41 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1iti n ASP 42 N -0.03 2.05 -4.04 4.39 2.03 -1.26 -4.91 116.55 114.78 1iti n ASP 42 Ca 0.00 -1.72 -0.29 0.00 0.52 0.00 0.00 54.79 53.30 1iti n ASP 42 Cb 0.00 -0.08 0.20 0.00 -0.72 0.00 0.00 41.12 40.52 1iti n ASP 42 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1iti n THR 43 N 0.58 0.00 -4.10 5.18 -2.24 -1.26 -5.11 114.28 107.34 1iti n THR 43 Ca 0.17 -1.10 -0.12 0.00 -2.27 0.00 0.00 64.05 60.73 1iti n THR 43 Cb 0.41 -1.40 -0.06 0.00 -2.10 0.00 0.00 70.33 67.18 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 -3.84 0.00 0.29 4.28 -4.23 -1.26 -5.01 115.64 105.87 1iti s THR 44 Ca 0.75 -1.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.64 1iti s THR 44 Cb -0.02 -2.44 0.29 0.00 1.34 0.00 0.00 72.50 71.67 1iti s THR 44 CO 0.53 0.00 1.68 -0.33 -0.54 0.00 0.00 174.62 175.96 1iti h GLU 45 N 2.29 0.32 0.18 3.99 3.07 -1.99 0.27 114.58 122.71 1iti h GLU 45 Ca -0.29 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 1iti h GLU 45 Cb 1.25 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 29.05 1iti h GLU 45 CO 0.41 0.21 -0.37 0.87 -1.40 0.00 0.00 179.01 178.73 1iti h LYS 46 N 0.33 -0.58 0.00 2.33 1.79 -2.00 0.51 116.57 118.95 1iti h LYS 46 Ca 0.55 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 59.06 1iti h LYS 46 Cb 1.07 0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1iti h LYS 46 CO -0.56 -0.39 -0.02 0.93 -1.08 0.00 0.00 179.45 178.33 1iti h GLU 47 N -0.60 0.00 0.11 3.15 4.39 -1.66 -2.41 114.58 117.56 1iti h GLU 47 Ca -0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1iti h GLU 47 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1iti h GLU 47 CO -0.15 0.02 -0.05 1.15 -1.16 0.00 0.00 179.01 178.82 1iti h THR 48 N 0.00 1.02 -0.67 1.13 2.02 0.13 -1.05 112.91 115.48 1iti h THR 48 Ca -0.00 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1iti h THR 48 Cb 0.06 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1iti h THR 48 CO 0.00 0.12 0.42 -0.26 0.37 0.00 0.00 175.52 176.17 1iti h PHE 49 N -0.37 0.87 0.77 3.16 0.04 -0.50 -2.03 116.94 118.88 1iti h PHE 49 Ca -0.02 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1iti h PHE 49 Cb 0.31 -0.29 0.01 0.00 2.20 0.00 0.00 35.95 38.18 1iti h PHE 49 CO 0.00 0.57 -0.37 0.00 -0.60 0.00 0.00 178.31 177.92 1iti h ARG 51 N -1.20 0.47 0.07 0.00 3.08 -1.07 0.16 114.38 115.90 1iti h ARG 51 Ca -0.11 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1iti h ARG 51 Cb 0.79 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1iti h ARG 51 CO 0.17 0.31 -0.03 0.00 -1.07 0.00 0.00 179.97 179.35 1iti h ALA 52 N 1.76 -0.09 -0.40 0.04 0.00 -1.15 -2.55 119.26 116.87 1iti h ALA 52 Ca 0.66 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.57 1iti h ALA 52 Cb 1.33 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1iti h ALA 52 CO -0.52 -0.55 0.21 0.00 0.00 0.00 0.00 179.25 178.39 1iti h ALA 53 N 0.82 0.50 -0.86 0.00 0.00 0.11 -1.66 119.26 118.18 1iti h ALA 53 Ca -0.01 0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.12 1iti h ALA 53 Cb 0.08 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.68 1iti h ALA 53 CO 0.02 -0.14 0.33 1.15 0.00 0.00 0.00 179.25 180.60 1iti h THR 54 N 0.43 0.47 0.64 0.00 2.02 -0.82 0.23 112.91 115.87 1iti h THR 54 Ca 0.17 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 1iti h THR 54 Cb 0.06 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.56 1iti h THR 54 CO -0.11 0.06 -0.31 0.58 0.37 0.00 0.00 175.52 176.12 1iti h VAL 55 N 0.35 0.00 -1.21 3.16 2.07 -0.92 -2.70 116.25 117.00 1iti h VAL 55 Ca 0.53 -0.28 0.35 0.00 0.82 0.00 0.00 66.70 68.12 1iti h VAL 55 Cb 0.99 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1iti h VAL 55 CO -0.54 0.00 0.85 -0.07 0.02 0.00 0.00 177.57 177.83 1iti h LEU 56 N -1.13 0.10 0.53 2.57 3.38 -0.69 0.14 115.31 120.21 1iti h LEU 56 Ca -0.09 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1iti h LEU 56 Cb 0.66 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.42 1iti h LEU 56 CO 0.14 0.01 -0.26 -0.09 0.09 0.00 0.00 178.44 178.33 1iti h ARG 57 N 0.08 -0.69 0.00 1.13 2.43 -0.31 -2.18 114.38 114.84 1iti h ARG 57 Ca 0.60 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.82 1iti h ARG 57 Cb 2.22 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.93 1iti h ARG 57 CO -0.08 -0.46 0.00 0.00 -1.51 0.00 0.00 179.97 177.92 1iti n GLN 58 N -4.18 0.34 -0.01 0.20 10.64 -0.51 -1.65 117.38 122.22 1iti n GLN 58 Ca -0.09 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.08 1iti n GLN 58 Cb 0.28 -1.50 -0.00 0.00 -0.86 0.00 0.00 30.24 28.16 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 -0.40 -3.06 116.94 119.66 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 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 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 -2.45 0.00 -0.02 0.41 0.18 -0.98 -1.34 117.16 112.95 1iti n TYR 60 Ca -0.00 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.58 1iti n TYR 60 Cb 0.02 -0.29 -0.14 0.00 -0.38 0.00 0.00 39.34 38.55 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 -1.29 1.94 -0.01 9.48 7.64 -0.66 -3.11 113.62 127.62 1iti n SER 61 Ca 0.13 0.18 -0.14 0.00 1.01 0.00 0.00 58.87 60.05 1iti n SER 61 Cb 0.22 -0.69 -0.14 0.00 -1.01 0.00 0.00 64.21 62.59 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 -3.39 1.12 -0.02 1.43 8.25 -1.16 -4.11 115.22 117.35 1iti n HIS 62 Ca -0.32 0.33 -0.12 0.00 -0.26 0.00 0.00 57.72 57.35 1iti n HIS 62 Cb 1.04 -1.18 -0.10 0.00 1.12 0.00 0.00 29.99 30.88 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 0.03 -0.06 0.00 4.41 3.86 -1.40 -2.95 115.15 119.04 1iti h HIS 63 Ca -0.34 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1iti h HIS 63 Cb 2.02 0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.51 1iti h HIS 63 CO 0.03 0.57 0.54 1.49 0.86 0.00 0.00 177.93 181.42 1iti h GLU 64 N -0.82 0.00 0.00 2.45 4.81 -1.70 1.23 114.58 120.55 1iti h GLU 64 Ca -0.01 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 1iti h GLU 64 Cb 0.66 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.98 1iti h GLU 64 CO 0.01 0.00 -1.91 1.63 -0.73 0.00 0.00 179.01 178.01 1iti n LYS 65 N -2.24 0.65 -2.59 1.92 5.02 -1.15 -4.91 118.16 114.86 1iti n LYS 65 Ca -0.01 0.21 -0.33 0.00 -2.02 0.00 0.00 58.31 56.16 1iti n LYS 65 Cb 0.56 -1.71 -0.05 0.00 -0.02 0.00 0.00 35.03 33.81 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 -5.93 6.58 -0.48 4.39 -1.08 0.42 -4.94 116.67 115.64 1iti s ASP 66 Ca -0.07 1.76 -0.02 0.00 -0.52 0.00 0.00 52.55 53.71 1iti s ASP 66 Cb 0.07 -2.54 0.25 0.00 -1.46 0.00 0.00 42.92 39.24 1iti s ASP 66 CO 0.82 -0.61 2.20 1.07 0.52 0.00 0.00 175.17 179.17 1iti n THR 67 N -1.03 3.18 -0.06 1.71 5.66 -1.26 -4.46 114.28 118.01 1iti n THR 67 Ca 0.08 -2.49 -0.06 0.00 -3.05 0.00 0.00 64.05 58.53 1iti n THR 67 Cb 0.53 -1.35 -0.02 0.00 -1.55 0.00 0.00 70.33 67.95 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 0.10 0.39 -0.01 1.09 5.12 -1.26 -4.35 116.66 117.73 1iti n ARG 68 Ca 0.44 0.29 0.00 0.00 -1.93 0.00 0.00 57.85 56.66 1iti n ARG 68 Cb 0.56 -1.34 0.01 0.00 -1.16 0.00 0.00 32.46 30.53 1iti n ARG 68 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iti h LEU 70 N 0.16 0.03 0.00 0.00 3.38 -1.80 -3.46 115.31 113.62 1iti h LEU 70 Ca 0.00 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1iti h LEU 70 Cb 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1iti h LEU 70 CO 0.00 1.37 0.00 0.61 0.09 0.00 0.00 178.44 180.51 1iti n GLY 71 N 1.51 0.04 0.00 0.83 0.00 -1.24 -4.25 105.19 102.08 1iti n GLY 71 Ca -0.25 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 5.31 0.96 -0.83 4.61 0.00 -1.26 -5.02 120.51 124.29 1iti n ALA 72 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1iti n ALA 72 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 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 0.93 0.00 -2.24 -1.26 -4.86 114.28 105.83 1iti n THR 73 Ca 0.00 -0.26 0.12 0.00 -2.27 0.00 0.00 64.05 61.64 1iti n THR 73 Cb 0.00 -0.41 0.23 0.00 -2.10 0.00 0.00 70.33 68.05 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 -3.61 3.48 -0.00 6.98 0.00 -1.26 -3.33 120.51 122.77 1iti n ALA 74 Ca 0.02 -0.34 -0.16 0.00 0.00 0.00 0.00 53.44 52.96 1iti n ALA 74 Cb 0.60 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.79 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 0.16 0.00 0.00 -0.00 -2.00 -3.36 115.11 109.92 1iti h GLN 75 Ca 0.00 -0.28 -0.14 0.00 -0.00 0.00 0.00 58.65 58.23 1iti h GLN 75 Cb 0.54 0.10 -0.02 0.00 -0.00 0.00 0.00 27.48 28.10 1iti h GLN 75 CO 0.00 0.93 -0.66 0.37 -0.00 0.00 0.00 178.83 179.47 1iti h GLN 76 N 0.04 0.00 -0.01 0.06 4.15 -1.91 -2.69 115.11 114.75 1iti h GLN 76 Ca -0.36 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.08 1iti h GLN 76 Cb 2.03 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.70 1iti h GLN 76 CO 0.09 0.66 -0.09 0.35 -1.93 0.00 0.00 178.83 177.91 1iti h PHE 77 N 0.00 -0.22 -0.05 3.99 3.57 -1.69 -1.21 116.94 121.34 1iti h PHE 77 Ca -0.01 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1iti h PHE 77 Cb 1.36 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 40.20 1iti h PHE 77 CO 0.00 -0.13 -0.08 1.25 -2.23 0.00 0.00 178.31 177.12 1iti h HIS 78 N -0.15 0.16 -0.12 0.41 2.76 -1.70 -2.56 115.15 113.95 1iti h HIS 78 Ca 0.04 -0.06 0.04 0.00 -2.20 0.00 0.00 60.37 58.19 1iti h HIS 78 Cb 0.19 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 1iti h HIS 78 CO -0.16 0.65 0.50 -0.09 -1.30 0.00 0.00 177.93 177.53 1iti h ARG 79 N -0.37 0.00 0.00 5.26 2.43 -1.34 -0.85 114.38 119.51 1iti h ARG 79 Ca 0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 1iti h ARG 79 Cb 0.64 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1iti h ARG 79 CO 0.02 0.00 -0.71 1.25 -1.51 0.00 0.00 179.97 179.02 1iti h HIS 80 N 0.00 0.00 -0.79 2.20 2.76 -0.94 -3.30 115.15 115.08 1iti h HIS 80 Ca 0.06 0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.40 1iti h HIS 80 Cb 1.06 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 29.91 1iti h HIS 80 CO 0.00 1.00 0.27 0.87 -1.30 0.00 0.00 177.93 178.77 1iti h LYS 81 N -1.00 0.34 -0.79 5.26 1.57 -0.79 0.46 116.57 121.63 1iti h LYS 81 Ca -0.18 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1iti h LYS 81 Cb 0.99 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.17 1iti h LYS 81 CO -0.11 0.23 0.52 0.37 -0.57 0.00 0.00 179.45 179.88 1iti h GLN 82 N 0.35 0.66 0.76 3.15 4.15 -1.51 -1.90 115.11 120.77 1iti h GLN 82 Ca 0.45 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.80 1iti h GLN 82 Cb 0.78 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 28.33 1iti h GLN 82 CO -0.49 0.44 -0.37 1.25 -1.93 0.00 0.00 178.83 177.73 1iti h LEU 83 N 0.68 -0.87 -0.96 -2.39 6.46 -0.17 -1.99 115.31 116.08 1iti h LEU 83 Ca 0.37 0.02 0.25 0.00 -0.12 0.00 0.00 57.88 58.40 1iti h LEU 83 Cb 0.51 0.22 -0.13 0.00 -0.73 0.00 0.00 40.66 40.53 1iti h LEU 83 CO -0.14 -0.52 0.49 0.40 -0.62 0.00 0.00 178.44 178.05 1iti h ILE 84 N -1.21 0.45 -0.31 4.05 1.08 -1.05 0.24 117.51 120.75 1iti h ILE 84 Ca -0.10 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1iti h ILE 84 Cb 0.80 -0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 1iti h ILE 84 CO 0.17 0.08 0.20 0.03 -0.69 0.00 0.00 178.15 177.94 1iti h ARG 85 N 0.43 0.42 -0.41 2.37 3.08 -1.13 0.14 114.38 119.28 1iti h ARG 85 Ca 0.63 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.72 1iti h ARG 85 Cb 1.26 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 31.15 1iti h ARG 85 CO -0.54 0.30 0.01 0.74 -1.07 0.00 0.00 179.97 179.42 1iti h PHE 86 N 0.41 -0.00 0.35 3.04 0.04 0.22 -0.88 116.94 120.11 1iti h PHE 86 Ca 0.11 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 1iti h PHE 86 Cb -0.01 0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1iti h PHE 86 CO -0.05 -0.07 -0.17 -0.07 -0.60 0.00 0.00 178.31 177.36 1iti h LEU 87 N 0.12 -0.39 -1.03 1.54 3.38 -1.07 -2.23 115.31 115.63 1iti h LEU 87 Ca 0.20 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1iti h LEU 87 Cb 0.28 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1iti h LEU 87 CO -0.33 -0.04 0.40 0.50 0.09 0.00 0.00 178.44 179.06 1iti h LYS 88 N -0.78 0.00 0.00 1.13 3.64 -0.41 0.38 116.57 120.54 1iti h LYS 88 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1iti h LYS 88 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1iti h LYS 88 CO 0.08 0.00 0.00 -2.13 -2.27 0.00 0.00 179.45 175.13 1iti n ARG 89 N -2.29 0.00 -0.27 1.90 0.63 -0.36 -4.00 116.66 112.27 1iti n ARG 89 Ca -0.01 0.06 0.22 0.00 -0.92 0.00 0.00 57.85 57.19 1iti n ARG 89 Cb 0.43 -0.37 0.53 0.00 0.45 0.00 0.00 32.46 33.50 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 0.38 -1.73 6.15 8.10 -1.29 0.41 115.31 127.33 1iti h LEU 90 Ca 0.00 0.05 0.19 0.00 0.11 0.00 0.00 57.88 58.23 1iti h LEU 90 Cb 0.00 -0.02 -0.05 0.00 -0.44 0.00 0.00 40.66 40.16 1iti h LEU 90 CO 0.00 0.12 0.53 -0.78 -4.11 0.00 0.00 178.44 174.20 1iti h ASP 91 N 0.36 0.24 0.55 0.17 3.58 -0.44 0.29 116.42 121.18 1iti h ASP 91 Ca 0.52 0.02 -0.29 0.00 0.42 0.00 0.00 57.03 57.70 1iti h ASP 91 Cb 1.37 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.37 1iti h ASP 91 CO -0.20 0.11 -1.49 0.03 -2.88 0.00 0.00 179.24 174.81 1iti h ARG 92 N 0.25 0.15 -0.23 0.28 2.47 -0.33 -3.28 114.38 113.68 1iti h ARG 92 Ca 0.38 -0.25 0.02 0.00 -1.26 0.00 0.00 59.98 58.88 1iti h ARG 92 Cb 1.14 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.53 1iti h ARG 92 CO -0.09 0.96 0.09 -0.91 0.56 0.00 0.00 179.97 180.58 1iti h ASN 93 N 0.04 0.11 0.00 7.04 2.35 -0.57 0.07 115.58 124.62 1iti h ASN 93 Ca -0.22 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1iti h ASN 93 Cb 1.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.34 1iti h ASN 93 CO 0.13 0.10 0.00 0.18 -1.65 0.00 0.00 177.43 176.19 1iti n LEU 94 N -5.02 0.00 0.14 1.61 4.77 -0.72 -1.32 117.00 116.46 1iti n LEU 94 Ca -0.02 0.95 0.04 0.00 -0.03 0.00 0.00 56.01 56.95 1iti n LEU 94 Cb 0.08 -0.45 0.22 0.00 -2.33 0.00 0.00 43.42 40.94 1iti n LEU 94 CO 0.30 -0.45 0.74 1.87 -1.33 0.00 0.00 177.39 178.52 1iti n TRP 95 N -1.93 0.27 0.02 -1.77 -0.00 -1.22 -1.85 117.44 110.97 1iti n TRP 95 Ca 0.00 0.14 -0.01 0.00 -0.00 0.00 0.00 57.50 57.63 1iti n TRP 95 Cb 0.00 -0.44 -0.01 0.00 -0.00 0.00 0.00 31.31 30.86 1iti n TRP 95 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1iti h GLY 96 N 0.00 -0.07 1.13 5.87 0.00 0.35 -3.12 103.07 107.23 1iti h GLY 96 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1iti h GLY 96 CO 0.00 -0.03 0.00 1.47 0.00 0.00 0.00 176.54 177.98 1iti n LEU 97 N -2.47 0.00 0.00 3.11 -0.00 -0.77 -3.11 117.00 113.75 1iti n LEU 97 Ca -0.01 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 1iti n LEU 97 Cb 0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 1iti n LEU 97 CO 0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 177.39 177.34 1iti n ALA 98 N -1.07 0.00 -1.15 1.47 0.00 -1.03 -4.97 120.51 113.76 1iti n ALA 98 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 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 2.16 0.43 3.83 0.00 0.00 -1.18 -5.03 105.19 105.40 1iti n GLY 99 Ca 0.00 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 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 4.48 0.00 0.99 1.43 -1.26 -5.04 118.68 119.28 1iti s LEU 100 Ca 0.00 1.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 1iti s LEU 100 Cb 0.00 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.41 1iti s LEU 100 CO 0.00 0.27 0.00 -3.20 0.23 0.00 0.00 176.35 173.65 1iti n ASN 101 N 1.63 0.00 -4.76 2.29 4.05 -1.26 -4.91 115.26 112.29 1iti n ASN 101 Ca -0.11 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.52 1iti n ASN 101 Cb 0.52 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.48 1iti n ASN 101 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1iti s SER 102 N -1.00 7.26 -0.48 1.20 0.15 -1.26 -4.98 113.70 114.60 1iti s SER 102 Ca 0.00 2.27 0.06 0.00 0.70 0.00 0.00 55.95 58.98 1iti s SER 102 Cb 0.00 -2.63 0.25 0.00 -1.71 0.00 0.00 66.02 61.94 1iti s SER 102 CO 0.00 -0.15 0.92 0.00 1.20 0.00 0.00 173.24 175.21 1iti s PRO 104 N 0.56 2.47 0.15 0.00 0.05 -1.26 -4.92 135.00 132.05 1iti s PRO 104 Ca 0.30 1.79 -0.10 0.00 0.05 0.00 0.00 61.00 63.05 1iti s PRO 104 Cb 0.24 -1.87 -0.06 0.00 0.05 0.00 0.00 34.50 32.86 1iti s PRO 104 CO -0.21 -1.59 0.48 0.54 0.05 0.00 0.00 177.00 176.26 1iti s VAL 105 N -1.82 5.00 0.00 -0.36 0.11 -1.26 -5.02 120.40 117.05 1iti s VAL 105 Ca 0.76 0.46 0.00 0.00 -2.93 0.00 0.00 61.98 60.27 1iti s VAL 105 Cb -0.30 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 30.90 1iti s VAL 105 CO 0.41 0.12 0.00 1.17 -3.33 0.00 0.00 175.10 173.47 1iti n LYS 106 N 0.40 0.00 -4.02 1.54 4.81 -1.26 -5.11 118.16 114.52 1iti n LYS 106 Ca -0.04 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.32 1iti n LYS 106 Cb 0.52 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.48 1iti n LYS 106 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1iti s GLU 107 N 1.07 0.81 0.00 1.64 0.41 -1.26 -5.17 118.70 116.20 1iti s GLU 107 Ca 0.00 -1.19 0.00 0.00 -0.41 0.00 0.00 54.97 53.37 1iti s GLU 107 Cb 0.00 0.27 0.00 0.00 -1.78 0.00 0.00 34.13 32.62 1iti s GLU 107 CO 0.00 -0.22 0.00 0.00 -0.49 0.00 0.00 175.26 174.55 1iti n ALA 108 N -0.02 0.00 -1.63 5.21 0.00 -1.26 -4.77 120.51 118.04 1iti n ALA 108 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1iti n ALA 108 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -3.67 0.00 9.92 -1.26 -4.90 116.55 116.64 1iti n ASP 109 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1iti n ASP 109 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1iti n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1iti s GLN 110 N 1.92 1.43 0.04 -1.24 -2.07 -1.26 -3.66 119.66 114.82 1iti s GLN 110 Ca 0.00 -0.77 -0.22 0.00 -1.82 0.00 0.00 55.36 52.55 1iti s GLN 110 Cb 0.00 0.56 0.05 0.00 -1.09 0.00 0.00 33.01 32.53 1iti s GLN 110 CO 0.00 -0.62 0.50 -1.54 -1.32 0.00 0.00 175.29 172.31 1iti s SER 111 N -2.85 -0.41 0.27 12.60 1.04 -0.36 -4.59 113.70 119.40 1iti s SER 111 Ca 0.07 0.16 -0.29 0.00 0.48 0.00 0.00 55.95 56.37 1iti s SER 111 Cb -0.02 0.48 -0.09 0.00 0.10 0.00 0.00 66.02 66.48 1iti s SER 111 CO -0.04 -0.70 1.12 0.42 0.98 0.00 0.00 173.24 175.03 1iti s THR 112 N -2.37 3.45 0.38 2.02 -4.23 -1.26 0.24 115.64 113.86 1iti s THR 112 Ca -0.06 1.43 0.17 0.00 -1.18 0.00 0.00 61.69 62.05 1iti s THR 112 Cb -0.01 -3.91 0.37 0.00 1.34 0.00 0.00 72.50 70.30 1iti s THR 112 CO -0.01 0.33 1.73 0.25 -0.54 0.00 0.00 174.62 176.38 1iti h LEU 113 N 3.96 0.49 0.84 4.79 5.85 -1.62 0.22 115.31 129.84 1iti h LEU 113 Ca -0.47 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 1iti h LEU 113 Cb 1.21 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1iti h LEU 113 CO 0.68 0.04 -0.45 -0.08 -0.34 0.00 0.00 178.44 178.28 1iti h GLU 114 N 0.40 -1.15 0.09 1.25 4.57 -1.90 0.30 114.58 118.13 1iti h GLU 114 Ca 0.65 0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.90 1iti h GLU 114 Cb 1.57 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 30.42 1iti h GLU 114 CO -0.39 -0.77 -0.04 -0.91 -1.18 0.00 0.00 179.01 175.72 1iti h ASN 115 N -1.19 -0.10 -0.30 1.04 -0.26 -1.50 -0.85 115.58 112.41 1iti h ASN 115 Ca -0.11 -0.03 0.05 0.00 -0.56 0.00 0.00 56.30 55.65 1iti h ASN 115 Cb 0.94 0.03 -0.08 0.00 -1.06 0.00 0.00 38.32 38.15 1iti h ASN 115 CO 0.15 -0.04 -0.51 0.15 -1.06 0.00 0.00 177.43 176.12 1iti h PHE 116 N -0.15 -1.53 0.00 1.19 3.04 -0.57 1.04 116.94 119.96 1iti h PHE 116 Ca -0.01 0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1iti h PHE 116 Cb 0.12 0.71 0.00 0.00 2.56 0.00 0.00 35.95 39.34 1iti h PHE 116 CO -0.06 -0.50 0.00 -0.07 -2.02 0.00 0.00 178.31 175.66 1iti h LEU 117 N -0.45 0.00 0.05 0.59 3.38 -0.80 -0.66 115.31 117.43 1iti h LEU 117 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1iti h LEU 117 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1iti h LEU 117 CO -0.53 0.00 -0.03 -0.08 0.09 0.00 0.00 178.44 177.90 1iti h GLU 118 N 0.00 -0.07 -0.47 1.13 4.81 0.25 -1.62 114.58 118.62 1iti h GLU 118 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1iti h GLU 118 Cb 0.06 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1iti h GLU 118 CO 0.00 -0.05 0.32 0.07 -0.73 0.00 0.00 179.01 178.62 1iti h ARG 119 N -0.43 0.29 0.56 1.92 0.11 -0.83 -1.72 114.38 114.29 1iti h ARG 119 Ca -0.01 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.03 1iti h ARG 119 Cb 0.05 -0.07 0.01 0.00 1.11 0.00 0.00 29.97 31.07 1iti h ARG 119 CO 0.01 0.19 -0.27 1.25 0.10 0.00 0.00 179.97 181.26 1iti h LEU 120 N 0.30 -0.64 -0.91 0.08 6.46 -1.22 -0.95 115.31 118.44 1iti h LEU 120 Ca 0.21 0.00 0.23 0.00 -0.12 0.00 0.00 57.88 58.20 1iti h LEU 120 Cb 0.44 0.16 -0.13 0.00 -0.73 0.00 0.00 40.66 40.41 1iti h LEU 120 CO -0.05 -0.23 0.40 0.50 -0.62 0.00 0.00 178.44 178.44 1iti h LYS 121 N -1.18 0.37 -0.09 1.25 3.64 -0.95 0.92 116.57 120.52 1iti h LYS 121 Ca -0.08 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1iti h LYS 121 Cb 0.59 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1iti h LYS 121 CO 0.13 0.24 0.02 1.15 -2.27 0.00 0.00 179.45 178.72 1iti h THR 122 N 0.38 1.19 -0.81 1.00 2.02 -1.27 -2.71 112.91 112.70 1iti h THR 122 Ca 0.57 -0.58 0.18 0.00 0.77 0.00 0.00 66.41 67.36 1iti h THR 122 Cb 1.12 1.40 -0.11 0.00 -1.74 0.00 0.00 68.15 68.82 1iti h THR 122 CO -0.55 0.17 0.29 0.40 0.37 0.00 0.00 175.52 176.20 1iti h ILE 123 N -0.05 0.53 0.85 3.11 2.04 0.59 -1.19 117.51 123.39 1iti h ILE 123 Ca 0.03 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1iti h ILE 123 Cb 0.24 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1iti h ILE 123 CO -0.00 0.07 -0.49 0.24 0.00 0.00 0.00 178.15 177.97 1iti h MET 124 N 0.37 -1.20 -0.52 2.37 2.86 -1.08 0.86 114.93 118.60 1iti h MET 124 Ca 0.47 0.08 0.15 0.00 -2.06 0.00 0.00 59.70 58.35 1iti h MET 124 Cb 0.82 0.27 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 1iti h MET 124 CO -0.49 -0.80 0.65 -0.09 1.06 0.00 0.00 176.91 177.24 1iti h ARG 125 N -1.24 0.00 0.00 1.72 9.65 -1.02 0.85 114.38 124.34 1iti h ARG 125 Ca -0.11 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1iti h ARG 125 Cb 0.98 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.56 1iti h ARG 125 CO 0.14 0.00 -0.03 1.49 2.80 0.00 0.00 179.97 184.36 1iti h GLU 126 N 0.00 0.00 0.00 0.20 4.22 -0.03 -3.30 114.58 115.67 1iti h GLU 126 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.69 1iti h GLU 126 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1iti h GLU 126 CO -0.00 0.04 0.00 1.63 -2.18 0.00 0.00 179.01 178.50 1iti n LYS 127 N -4.76 0.05 0.00 1.92 5.02 0.16 -2.20 118.16 118.35 1iti n LYS 127 Ca -0.01 0.35 0.06 0.00 -2.02 0.00 0.00 58.31 56.70 1iti n LYS 127 Cb 0.03 -1.61 0.36 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.70 0.00 -2.34 2.13 9.36 0.29 -4.69 117.16 120.20 1iti n TYR 128 Ca 0.02 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.82 1iti n TYR 128 Cb 0.14 -0.03 -0.03 0.00 -0.63 0.00 0.00 39.34 38.80 1iti n TYR 128 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1iti s SER 129 N -2.06 6.97 0.00 2.98 0.15 -0.93 -4.72 113.70 116.08 1iti s SER 129 Ca 0.18 1.99 0.00 0.00 0.70 0.00 0.00 55.95 58.82 1iti s SER 129 Cb 0.08 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1iti s SER 129 CO 0.15 -0.62 0.00 2.29 1.20 0.00 0.00 173.24 176.26 1iti n LYS 130 N 4.97 0.00 0.00 5.44 2.85 -1.26 -4.93 118.16 125.22 1iti n LYS 130 Ca 0.11 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.43 1iti n LYS 130 Cb 0.45 0.00 0.32 0.00 -0.65 0.00 0.00 35.03 35.15 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 -0.67 -0.19 -0.24 0.00 7.64 -1.26 -5.05 113.62 113.85 1iti n SER 132 Ca 0.08 -3.05 0.15 0.00 1.01 0.00 0.00 58.87 57.06 1iti n SER 132 Cb 0.04 0.25 0.74 0.00 -1.01 0.00 0.00 64.21 64.22 1iti n SER 132 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79