#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 3.39 -0.08 -1.84 0.00 -1.26 -4.95 121.76 117.02 1iti s ALA 2 Ca 0.00 -2.75 -0.30 0.00 0.00 0.00 0.00 51.96 48.91 1iti s ALA 2 Cb 0.00 -4.01 0.07 0.00 0.00 0.00 0.00 23.12 19.18 1iti s ALA 2 CO 0.00 -2.94 0.69 -2.00 0.00 0.00 0.00 175.76 171.52 1iti s GLU 3 N 2.64 1.02 0.00 0.00 2.12 -1.26 -5.03 118.70 118.19 1iti s GLU 3 Ca 0.31 0.35 0.00 0.00 0.36 0.00 0.00 54.97 56.00 1iti s GLU 3 Cb -0.06 0.48 0.00 0.00 0.26 0.00 0.00 34.13 34.82 1iti s GLU 3 CO -0.09 -0.30 0.00 0.00 -0.54 0.00 0.00 175.26 174.34 1iti n ALA 4 N 1.14 0.00 -2.26 6.30 0.00 -1.26 -5.07 120.51 119.36 1iti n ALA 4 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.92 1iti n ALA 4 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 2.07 -1.36 0.00 0.00 -1.26 -4.85 115.29 109.90 1iti s HIS 5 Ca 0.00 0.10 -0.08 0.00 -3.00 0.00 0.00 55.06 52.08 1iti s HIS 5 Cb 0.00 -4.32 -0.08 0.00 -4.00 0.00 0.00 32.58 24.18 1iti s HIS 5 CO 0.00 -1.90 2.68 1.63 -1.00 0.00 0.00 174.74 176.14 1iti n LYS 6 N 8.95 3.12 -1.66 -0.38 5.02 -1.26 -4.92 118.16 127.02 1iti n LYS 6 Ca 0.32 -1.92 -0.55 0.00 -2.02 0.00 0.00 58.31 54.14 1iti n LYS 6 Cb 0.49 -2.66 -0.07 0.00 -0.02 0.00 0.00 35.03 32.77 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iti s ASP 8 N 2.25 6.54 0.14 0.00 -1.08 -1.26 -4.90 116.67 118.36 1iti s ASP 8 Ca 0.92 2.84 0.23 0.00 -0.52 0.00 0.00 52.55 56.02 1iti s ASP 8 Cb -1.02 -2.64 -0.00 0.00 -1.46 0.00 0.00 42.92 37.80 1iti s ASP 8 CO 0.57 -0.75 0.99 0.00 0.52 0.00 0.00 175.17 176.50 1iti n ILE 9 N 1.41 0.44 0.33 4.11 3.06 -1.26 -4.30 119.36 123.15 1iti n ILE 9 Ca 0.04 -0.47 -0.15 0.00 -2.50 0.00 0.00 62.75 59.67 1iti n ILE 9 Cb 0.40 -0.18 -0.07 0.00 0.54 0.00 0.00 39.64 40.32 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 0.15 0.00 9.51 2.02 -2.00 -2.05 112.91 120.54 1iti h THR 10 Ca 0.00 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1iti h THR 10 Cb 0.93 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1iti h THR 10 CO 0.00 0.02 0.44 -0.07 0.37 0.00 0.00 175.52 176.29 1iti h LEU 11 N -1.14 0.00 0.00 2.58 3.38 -1.99 -0.25 115.31 117.88 1iti h LEU 11 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1iti h LEU 11 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1iti h LEU 11 CO 0.15 0.00 -0.01 -0.61 0.09 0.00 0.00 178.44 178.06 1iti h GLN 12 N 0.00 0.00 -0.24 1.13 4.15 -1.57 -2.70 115.11 115.88 1iti h GLN 12 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.49 1iti h GLN 12 Cb 0.89 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 1iti h GLN 12 CO 0.00 0.00 0.39 1.05 -1.93 0.00 0.00 178.83 178.34 1iti h GLU 13 N -0.05 0.00 0.25 1.69 -0.00 -1.03 -1.93 114.58 113.51 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 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.76 1iti h GLU 13 CO 0.00 0.00 -0.12 0.82 -0.00 0.00 0.00 179.01 179.71 1iti h ILE 14 N 0.00 0.07 -0.64 -1.06 2.04 -1.19 -2.53 117.51 114.20 1iti h ILE 14 Ca 0.12 -0.79 0.13 0.00 1.00 0.00 0.00 64.86 65.31 1iti h ILE 14 Cb 0.89 0.12 -0.12 0.00 -0.74 0.00 0.00 36.82 36.97 1iti h ILE 14 CO -0.00 0.02 -0.14 0.40 0.00 0.00 0.00 178.15 178.43 1iti h ILE 15 N -1.08 0.37 -0.66 -0.67 2.04 -1.02 0.23 117.51 116.73 1iti h ILE 15 Ca -0.03 -0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.89 1iti h ILE 15 Cb 0.29 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 1iti h ILE 15 CO 0.06 0.00 0.35 0.50 0.00 0.00 0.00 178.15 179.06 1iti h LYS 16 N 0.01 0.61 -0.95 2.37 3.64 -1.51 -0.87 116.57 119.87 1iti h LYS 16 Ca 0.31 -0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.78 1iti h LYS 16 Cb 0.48 -0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 32.08 1iti h LYS 16 CO -0.65 0.41 0.58 1.15 -2.27 0.00 0.00 179.45 178.67 1iti h THR 17 N 0.63 0.88 -0.48 1.00 2.02 -0.10 -0.79 112.91 116.07 1iti h THR 17 Ca 0.31 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1iti h THR 17 Cb 0.24 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 1iti h THR 17 CO -0.21 0.16 0.28 -0.07 0.37 0.00 0.00 175.52 176.06 1iti h LEU 18 N 0.89 0.59 -0.94 2.58 3.38 -0.41 -2.18 115.31 119.22 1iti h LEU 18 Ca 0.48 -0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.51 1iti h LEU 18 Cb 0.52 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.03 1iti h LEU 18 CO -0.28 0.49 0.56 0.78 0.09 0.00 0.00 178.44 180.08 1iti h ASN 19 N 0.64 0.79 -0.30 -0.43 4.21 -0.78 -0.46 115.58 119.25 1iti h ASN 19 Ca 0.17 0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.74 1iti h ASN 19 Cb 0.01 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.11 1iti h ASN 19 CO -0.03 0.40 0.17 0.28 -1.29 0.00 0.00 177.43 176.96 1iti h SER 20 N 0.86 0.37 -0.44 5.81 0.02 -1.01 -2.40 113.55 116.76 1iti h SER 20 Ca 0.48 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1iti h SER 20 Cb 0.55 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1iti h SER 20 CO -0.29 0.33 0.28 -0.07 -1.14 0.00 0.00 176.83 175.93 1iti h LEU 21 N 0.37 0.52 -1.35 5.07 3.38 -0.84 -1.82 115.31 120.64 1iti h LEU 21 Ca 0.11 -0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.20 1iti h LEU 21 Cb 0.03 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 1iti h LEU 21 CO -0.02 0.39 0.57 0.71 0.09 0.00 0.00 178.44 180.18 1iti h THR 22 N 0.59 0.80 0.00 0.22 1.35 -0.83 0.38 112.91 115.42 1iti h THR 22 Ca 0.16 -0.21 -0.03 0.00 -0.55 0.00 0.00 66.41 65.78 1iti h THR 22 Cb -0.04 0.13 -0.00 0.00 -1.73 0.00 0.00 68.15 66.51 1iti h THR 22 CO -0.03 0.11 -0.13 -0.33 -0.25 0.00 0.00 175.52 174.89 1iti h GLU 23 N 0.61 0.00 -5.47 4.72 5.08 -0.83 -3.39 114.58 115.29 1iti h GLU 23 Ca 0.45 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 58.20 1iti h GLU 23 Cb 0.82 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.96 1iti h GLU 23 CO -0.20 0.13 -0.10 -0.65 -1.00 0.00 0.00 179.01 177.19 1iti s GLN 24 N -4.58 4.17 -0.44 2.33 1.11 0.13 -5.01 119.66 117.38 1iti s GLN 24 Ca -0.04 0.32 0.02 0.00 0.01 0.00 0.00 55.36 55.67 1iti s GLN 24 Cb 0.15 -3.56 0.15 0.00 -1.01 0.00 0.00 33.01 28.74 1iti s GLN 24 CO 0.65 -0.13 0.29 0.15 0.01 0.00 0.00 175.29 176.26 1iti s LYS 25 N 1.60 1.10 0.00 2.91 1.02 -1.26 -4.94 119.74 120.17 1iti s LYS 25 Ca 0.22 -2.01 0.00 0.00 0.02 0.00 0.00 55.97 54.20 1iti s LYS 25 Cb -0.15 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 1iti s LYS 25 CO 0.09 -1.26 0.00 0.25 -0.92 0.00 0.00 175.35 173.51 1iti n THR 26 N 3.28 0.00 1.15 2.17 -2.24 -1.26 -4.96 114.28 112.42 1iti n THR 26 Ca 0.18 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.06 1iti n THR 26 Cb 0.39 -0.71 0.35 0.00 -2.10 0.00 0.00 70.33 68.27 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 1.79 -0.38 3.22 -0.00 -1.26 -3.71 117.00 116.66 1iti n LEU 27 Ca 0.00 -0.76 0.13 0.00 -0.00 0.00 0.00 56.01 55.39 1iti n LEU 27 Cb 0.00 -0.12 0.57 0.00 -0.00 0.00 0.00 43.42 43.87 1iti n LEU 27 CO 0.00 0.38 0.89 0.00 -0.00 0.00 0.00 177.39 178.66 1iti n THR 29 N -0.06 0.00 1.68 0.00 -2.24 -1.24 -3.84 114.28 108.57 1iti n THR 29 Ca 0.19 -0.01 0.13 0.00 -2.27 0.00 0.00 64.05 62.09 1iti n THR 29 Cb 0.29 0.57 0.63 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.44 1.37 -3.09 -0.78 -0.58 -1.22 -4.21 120.64 110.69 1iti n GLU 30 Ca 0.05 -0.54 -0.39 0.00 -0.42 0.00 0.00 57.16 55.86 1iti n GLU 30 Cb 0.34 -1.44 -0.06 0.00 -0.57 0.00 0.00 31.44 29.71 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 -1.85 4.56 -0.34 -4.62 1.43 -1.25 -5.00 118.68 111.61 1iti s LEU 31 Ca 0.38 1.50 -0.19 0.00 -1.03 0.00 0.00 54.13 54.80 1iti s LEU 31 Cb 0.19 -3.18 -0.00 0.00 0.03 0.00 0.00 46.19 43.23 1iti s LEU 31 CO 0.31 0.22 0.55 0.42 0.23 0.00 0.00 176.35 178.08 1iti s THR 32 N -1.16 4.98 0.38 5.49 -4.23 -1.26 -3.14 115.64 116.70 1iti s THR 32 Ca 0.34 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 1iti s THR 32 Cb -0.22 -3.99 0.07 0.00 1.34 0.00 0.00 72.50 69.71 1iti s THR 32 CO 0.24 -0.22 0.52 1.33 -0.54 0.00 0.00 174.62 175.94 1iti n VAL 33 N 5.45 0.00 -3.12 2.29 0.24 0.17 -4.80 118.33 118.57 1iti n VAL 33 Ca -0.04 -0.85 -0.39 0.00 -2.04 0.00 0.00 64.34 61.02 1iti n VAL 33 Cb 0.49 -1.08 -0.05 0.00 -1.47 0.00 0.00 33.84 31.73 1iti n VAL 33 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1iti s THR 34 N -1.45 4.87 0.94 3.34 2.01 -1.26 -1.23 115.64 122.86 1iti s THR 34 Ca 0.35 1.39 -0.14 0.00 0.31 0.00 0.00 61.69 63.59 1iti s THR 34 Cb -0.02 -4.00 0.20 0.00 0.01 0.00 0.00 72.50 68.69 1iti s THR 34 CO 0.23 0.38 1.29 -0.62 -0.69 0.00 0.00 174.62 175.21 1iti s ASP 35 N -0.01 3.14 0.00 3.53 2.15 -1.26 -4.73 116.67 119.50 1iti s ASP 35 Ca 0.34 0.09 0.00 0.00 0.43 0.00 0.00 52.55 53.41 1iti s ASP 35 Cb -0.19 -0.13 0.00 0.00 -0.30 0.00 0.00 42.92 42.30 1iti s ASP 35 CO 0.19 -2.70 0.00 2.30 -0.17 0.00 0.00 175.17 174.79 1iti n ILE 36 N -3.68 0.00 0.42 4.11 -5.35 -1.26 -4.65 119.36 108.95 1iti n ILE 36 Ca 0.16 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.77 1iti n ILE 36 Cb 0.59 0.00 0.45 0.00 -1.74 0.00 0.00 39.64 38.94 1iti n ILE 36 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 1iti h PHE 37 N 0.00 0.00 0.00 4.28 0.04 -1.97 -2.99 116.94 116.30 1iti h PHE 37 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1iti h PHE 37 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1iti h PHE 37 CO 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 1iti n ALA 38 N -1.89 2.05 -1.94 2.45 0.00 -1.26 -2.65 120.51 117.28 1iti n ALA 38 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1iti n ALA 38 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.31 1.49 -2.61 0.00 0.00 -1.13 -4.84 120.51 113.10 1iti n ALA 39 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 1iti n ALA 39 Cb 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1iti n ALA 39 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1iti s SER 40 N -0.06 7.20 0.00 0.00 0.01 -1.08 -4.83 113.70 114.93 1iti s SER 40 Ca 0.00 1.67 0.00 0.00 1.31 0.00 0.00 55.95 58.93 1iti s SER 40 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1iti s SER 40 CO 0.00 -0.46 0.00 0.29 0.41 0.00 0.00 173.24 173.48 1iti n LYS 41 N 4.80 0.00 -0.35 12.44 5.02 -1.26 -4.90 118.16 133.90 1iti n LYS 41 Ca 0.09 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.44 1iti n LYS 41 Cb 0.48 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.72 1iti n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iti n ASP 42 N -1.45 3.02 -4.83 4.39 8.00 -1.26 -4.89 116.55 119.52 1iti n ASP 42 Ca 0.00 -2.19 -0.37 0.00 0.71 0.00 0.00 54.79 52.93 1iti n ASP 42 Cb 0.00 -0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 40.63 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1iti s THR 43 N -1.61 4.85 0.53 -3.53 -4.23 -1.26 -5.08 115.64 105.30 1iti s THR 43 Ca 0.33 1.00 -0.00 0.00 -1.18 0.00 0.00 61.69 61.83 1iti s THR 43 Cb 0.20 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 70.26 1iti s THR 43 CO 0.18 0.46 0.77 0.42 -0.54 0.00 0.00 174.62 175.90 1iti s THR 44 N -1.22 3.17 0.49 3.99 -4.23 -1.26 -4.91 115.64 111.67 1iti s THR 44 Ca 0.31 -0.52 0.30 0.00 -1.18 0.00 0.00 61.69 60.60 1iti s THR 44 Cb -0.17 -3.20 0.49 0.00 1.34 0.00 0.00 72.50 70.96 1iti s THR 44 CO 0.18 -0.15 1.79 -0.33 -0.54 0.00 0.00 174.62 175.57 1iti h GLU 45 N 0.11 0.13 0.62 3.99 5.08 -1.99 -1.27 114.58 121.24 1iti h GLU 45 Ca -0.44 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1iti h GLU 45 Cb 1.28 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1iti h GLU 45 CO 0.55 0.09 -0.36 0.87 -1.00 0.00 0.00 179.01 179.15 1iti h LYS 46 N 0.13 -0.88 0.00 2.33 1.79 -2.00 -0.75 116.57 117.20 1iti h LYS 46 Ca 0.57 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 59.10 1iti h LYS 46 Cb 1.99 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 32.84 1iti h LYS 46 CO -0.12 -0.59 0.13 0.93 -1.08 0.00 0.00 179.45 178.73 1iti h GLU 47 N -0.91 0.00 0.06 3.15 5.08 -1.62 -1.90 114.58 118.43 1iti h GLU 47 Ca -0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1iti h GLU 47 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1iti h GLU 47 CO 0.09 0.00 -0.03 1.15 -1.00 0.00 0.00 179.01 179.22 1iti h THR 48 N 0.00 1.14 0.00 1.13 2.02 -0.56 -2.69 112.91 113.96 1iti h THR 48 Ca 0.00 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 65.61 1iti h THR 48 Cb 0.26 2.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1iti h THR 48 CO 0.00 0.34 -0.02 -0.26 0.37 0.00 0.00 175.52 175.95 1iti h PHE 49 N -0.89 0.00 0.07 3.16 0.04 -0.41 -1.84 116.94 117.06 1iti h PHE 49 Ca -0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1iti h PHE 49 Cb 0.62 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.77 1iti h PHE 49 CO 0.15 0.02 -0.03 0.00 -0.60 0.00 0.00 178.31 177.85 1iti h ARG 51 N -0.21 0.36 -0.03 0.00 3.08 -1.42 0.20 114.38 116.36 1iti h ARG 51 Ca -0.01 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1iti h ARG 51 Cb 0.07 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1iti h ARG 51 CO 0.02 0.24 -0.02 0.00 -1.07 0.00 0.00 179.97 179.13 1iti h ALA 52 N 1.67 -0.00 -0.67 0.04 0.00 -1.39 -2.48 119.26 116.44 1iti h ALA 52 Ca 0.66 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.54 1iti h ALA 52 Cb 1.63 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 1iti h ALA 52 CO -0.40 -0.51 0.27 0.00 0.00 0.00 0.00 179.25 178.61 1iti h ALA 53 N 0.99 0.86 -0.82 0.00 0.00 -0.29 -2.52 119.26 117.49 1iti h ALA 53 Ca 0.02 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.94 1iti h ALA 53 Cb 0.06 -0.26 -0.12 0.00 0.00 0.00 0.00 17.79 17.47 1iti h ALA 53 CO -0.04 0.48 0.29 1.15 0.00 0.00 0.00 179.25 181.12 1iti h THR 54 N 0.94 0.51 0.56 0.00 2.02 -0.74 0.26 112.91 116.45 1iti h THR 54 Ca 0.22 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 1iti h THR 54 Cb 0.20 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1iti h THR 54 CO -0.02 0.06 -0.27 0.58 0.37 0.00 0.00 175.52 176.25 1iti h VAL 55 N 0.35 0.00 -1.25 3.16 2.07 -1.06 -2.69 116.25 116.84 1iti h VAL 55 Ca 0.48 -0.27 0.36 0.00 0.82 0.00 0.00 66.70 68.10 1iti h VAL 55 Cb 0.86 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1iti h VAL 55 CO -0.51 0.00 0.89 -0.07 0.02 0.00 0.00 177.57 177.90 1iti h LEU 56 N -1.02 0.02 0.33 2.57 3.38 -1.09 -0.75 115.31 118.75 1iti h LEU 56 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1iti h LEU 56 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1iti h LEU 56 CO 0.13 0.00 -0.16 -0.09 0.09 0.00 0.00 178.44 178.41 1iti h ARG 57 N 0.01 -0.42 0.00 1.13 2.43 -0.25 -2.41 114.38 114.87 1iti h ARG 57 Ca 0.60 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 1iti h ARG 57 Cb 2.37 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 32.01 1iti h ARG 57 CO -0.02 -0.28 0.00 0.00 -1.51 0.00 0.00 179.97 178.16 1iti n GLN 58 N -3.41 0.04 0.00 0.20 10.64 -0.59 -1.51 117.38 122.75 1iti n GLN 58 Ca -0.05 0.21 0.00 0.00 -1.83 0.00 0.00 57.00 55.32 1iti n GLN 58 Cb 0.17 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.05 1iti n GLN 58 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1iti n PHE 59 N -1.22 0.00 0.88 2.61 7.35 -0.39 -2.68 117.46 124.01 1iti n PHE 59 Ca 0.01 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.78 1iti n PHE 59 Cb 0.01 -0.23 0.44 0.00 0.35 0.00 0.00 39.48 40.06 1iti n PHE 59 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 1iti n TYR 60 N -1.53 0.00 -0.06 -5.13 0.18 -0.99 -1.39 117.16 108.24 1iti n TYR 60 Ca 0.00 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.60 1iti n TYR 60 Cb 0.00 -0.15 -0.13 0.00 -0.38 0.00 0.00 39.34 38.68 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 -1.15 1.73 0.09 9.48 7.64 -0.57 -2.94 113.62 127.91 1iti n SER 61 Ca 0.10 0.07 0.12 0.00 1.01 0.00 0.00 58.87 60.16 1iti n SER 61 Cb 0.09 -0.42 0.03 0.00 -1.01 0.00 0.00 64.21 62.91 1iti n SER 61 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1iti n HIS 62 N -3.28 0.82 -0.04 1.43 -0.00 -1.09 -4.19 115.22 108.87 1iti n HIS 62 Ca -0.36 0.24 -0.19 0.00 0.46 0.00 0.00 57.72 57.86 1iti n HIS 62 Cb 1.04 -0.85 -0.13 0.00 -0.12 0.00 0.00 29.99 29.92 1iti n HIS 62 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1iti n HIS 63 N -2.50 0.81 -0.37 1.57 8.25 -0.48 -3.38 115.22 119.11 1iti n HIS 63 Ca 0.01 0.18 0.28 0.00 -0.26 0.00 0.00 57.72 57.93 1iti n HIS 63 Cb 0.52 -1.11 0.55 0.00 1.12 0.00 0.00 29.99 31.07 1iti n HIS 63 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1iti h GLU 64 N 0.04 0.25 0.00 -0.41 4.22 -1.70 0.83 114.58 117.82 1iti h GLU 64 Ca -0.47 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.95 1iti h GLU 64 Cb 2.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.19 1iti h GLU 64 CO 0.03 0.16 -1.16 0.36 -2.18 0.00 0.00 179.01 176.22 1iti n LYS 65 N -4.80 0.51 -2.60 1.92 2.85 -1.26 -4.86 118.16 109.92 1iti n LYS 65 Ca 0.32 0.03 -0.42 0.00 -1.05 0.00 0.00 58.31 57.19 1iti n LYS 65 Cb 1.12 -1.70 -0.03 0.00 -0.65 0.00 0.00 35.03 33.77 1iti n LYS 65 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1iti s ASP 66 N -4.74 7.23 0.00 -5.58 -1.08 0.29 -4.88 116.67 107.91 1iti s ASP 66 Ca -0.00 1.76 0.00 0.00 -0.52 0.00 0.00 52.55 53.78 1iti s ASP 66 Cb 0.12 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 1iti s ASP 66 CO 0.81 -0.39 1.27 0.35 0.52 0.00 0.00 175.17 177.73 1iti n THR 67 N 4.11 1.27 -0.12 1.71 -2.24 -1.26 -3.80 114.28 113.95 1iti n THR 67 Ca 0.08 -0.25 -0.24 0.00 -2.27 0.00 0.00 64.05 61.37 1iti n THR 67 Cb 0.49 -1.21 -0.10 0.00 -2.10 0.00 0.00 70.33 67.41 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 1.24 0.57 -0.47 -0.78 5.12 -1.26 -4.31 116.66 116.76 1iti n ARG 68 Ca 0.00 0.41 0.06 0.00 -1.93 0.00 0.00 57.85 56.38 1iti n ARG 68 Cb 0.39 -1.61 0.25 0.00 -1.16 0.00 0.00 32.46 30.33 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 0.56 1.98 -0.30 0.00 4.77 -1.26 -4.73 117.00 118.02 1iti n LEU 70 Ca 0.17 0.18 0.04 0.00 -0.03 0.00 0.00 56.01 56.37 1iti n LEU 70 Cb 0.71 -0.59 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1iti n LEU 70 CO 0.18 0.71 -0.06 0.61 -1.33 0.00 0.00 177.39 177.51 1iti n GLY 71 N 1.90 -1.42 0.08 -0.72 0.00 -1.26 -3.02 105.19 100.76 1iti n GLY 71 Ca -0.31 -1.46 -0.03 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.30 0.41 -0.59 4.61 0.00 -1.26 -4.83 120.51 117.54 1iti n ALA 72 Ca 0.00 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 1iti n ALA 72 Cb 0.14 0.01 0.14 0.00 0.00 0.00 0.00 19.45 19.74 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 -3.07 0.00 0.05 0.00 -1.04 -1.26 -4.83 114.28 104.13 1iti n THR 73 Ca -0.04 -0.09 -0.20 0.00 -2.04 0.00 0.00 64.05 61.68 1iti n THR 73 Cb 0.15 -0.47 -0.14 0.00 -1.82 0.00 0.00 70.33 68.04 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 -2.43 0.28 -0.88 2.41 0.00 -1.94 -3.22 119.26 113.47 1iti h ALA 74 Ca -0.31 -1.20 0.23 0.00 0.00 0.00 0.00 54.91 53.63 1iti h ALA 74 Cb 0.92 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 19.03 1iti h ALA 74 CO 0.20 1.15 0.31 -0.56 0.00 0.00 0.00 179.25 180.35 1iti h GLN 75 N 0.08 0.27 0.00 0.00 3.07 -1.96 0.86 115.11 117.44 1iti h GLN 75 Ca -0.33 -0.02 -0.13 0.00 0.09 0.00 0.00 58.65 58.26 1iti h GLN 75 Cb 2.06 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 29.54 1iti h GLN 75 CO 0.15 0.18 -0.63 0.37 0.09 0.00 0.00 178.83 179.00 1iti h GLN 76 N 0.28 0.00 -0.07 0.06 5.75 -1.85 -2.53 115.11 116.76 1iti h GLN 76 Ca 0.56 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 59.03 1iti h GLN 76 Cb 1.11 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.66 1iti h GLN 76 CO -0.60 0.63 -0.06 0.35 -2.65 0.00 0.00 178.83 176.50 1iti h PHE 77 N 0.00 0.20 0.64 3.99 3.04 0.67 -2.09 116.94 123.39 1iti h PHE 77 Ca -0.01 -0.06 -0.03 0.00 3.98 0.00 0.00 57.97 61.85 1iti h PHE 77 Cb 1.29 -0.04 0.01 0.00 2.56 0.00 0.00 35.95 39.76 1iti h PHE 77 CO 0.00 0.59 -0.31 1.25 -2.02 0.00 0.00 178.31 177.83 1iti h HIS 78 N -0.25 -0.79 -1.17 0.41 2.76 -0.71 -1.76 115.15 113.64 1iti h HIS 78 Ca 0.01 -0.02 0.33 0.00 -2.20 0.00 0.00 60.37 58.49 1iti h HIS 78 Cb 0.56 0.26 -0.08 0.00 1.55 0.00 0.00 27.41 29.70 1iti h HIS 78 CO 0.09 -0.45 0.80 -0.09 -1.30 0.00 0.00 177.93 176.97 1iti h ARG 79 N -1.13 0.16 -0.01 5.26 2.43 -1.55 0.19 114.38 119.73 1iti h ARG 79 Ca -0.09 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1iti h ARG 79 Cb 0.69 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1iti h ARG 79 CO 0.14 0.11 -0.01 1.25 -1.51 0.00 0.00 179.97 179.95 1iti h HIS 80 N 0.17 0.04 -0.20 2.20 2.76 -1.07 -2.87 115.15 116.18 1iti h HIS 80 Ca 0.62 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.82 1iti h HIS 80 Cb 2.04 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 30.94 1iti h HIS 80 CO -0.00 0.52 -0.13 0.87 -1.30 0.00 0.00 177.93 177.89 1iti h LYS 81 N -0.44 -0.11 -0.91 5.26 1.79 0.23 0.68 116.57 123.07 1iti h LYS 81 Ca 0.00 0.01 0.22 0.00 -2.18 0.00 0.00 60.65 58.70 1iti h LYS 81 Cb 0.51 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.12 1iti h LYS 81 CO 0.00 -0.08 0.61 0.37 -1.08 0.00 0.00 179.45 179.28 1iti h GLN 82 N -0.12 0.32 0.67 3.15 4.15 -1.32 -1.65 115.11 120.31 1iti h GLN 82 Ca 0.12 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 1iti h GLN 82 Cb 0.29 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 27.92 1iti h GLN 82 CO -0.28 0.21 -0.32 1.25 -1.93 0.00 0.00 178.83 177.76 1iti h LEU 83 N 0.33 -0.76 -1.48 -2.39 6.46 -0.65 -2.02 115.31 114.80 1iti h LEU 83 Ca 0.47 0.02 0.31 0.00 -0.12 0.00 0.00 57.88 58.55 1iti h LEU 83 Cb 1.29 0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 41.33 1iti h LEU 83 CO -0.15 -0.38 0.74 0.40 -0.62 0.00 0.00 178.44 178.42 1iti h ILE 84 N -1.22 0.43 0.07 4.05 1.08 -0.73 0.12 117.51 121.32 1iti h ILE 84 Ca -0.09 -0.09 -0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1iti h ILE 84 Cb 0.70 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1iti h ILE 84 CO 0.15 0.05 -0.04 0.03 -0.69 0.00 0.00 178.15 177.66 1iti h ARG 85 N 0.27 -0.09 -0.38 2.37 3.08 -1.13 0.18 114.38 118.68 1iti h ARG 85 Ca 0.63 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.76 1iti h ARG 85 Cb 1.84 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 31.84 1iti h ARG 85 CO -0.27 0.22 -0.07 0.74 -1.07 0.00 0.00 179.97 179.52 1iti h PHE 86 N -0.42 -0.16 0.10 3.04 0.04 -0.04 -0.50 116.94 119.02 1iti h PHE 86 Ca -0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1iti h PHE 86 Cb 0.36 0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1iti h PHE 86 CO 0.03 -0.14 -0.05 -0.07 -0.60 0.00 0.00 178.31 177.48 1iti h LEU 87 N 0.02 -0.12 -1.03 1.54 3.38 -1.30 -1.70 115.31 116.11 1iti h LEU 87 Ca 0.18 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1iti h LEU 87 Cb 0.27 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1iti h LEU 87 CO -0.37 0.13 0.21 0.29 0.09 0.00 0.00 178.44 178.79 1iti n LYS 88 N -5.05 0.10 0.00 1.13 5.02 0.61 0.07 118.16 120.05 1iti n LYS 88 Ca -0.08 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1iti n LYS 88 Cb 0.17 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 1iti n LYS 88 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1iti n ARG 89 N -2.11 0.00 0.06 1.97 0.63 -0.25 -4.08 116.66 112.88 1iti n ARG 89 Ca -0.01 0.26 0.15 0.00 -0.92 0.00 0.00 57.85 57.33 1iti n ARG 89 Cb 0.24 -0.73 0.63 0.00 0.45 0.00 0.00 32.46 33.05 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 0.08 -1.00 6.15 8.10 -1.28 -1.03 115.31 126.34 1iti h LEU 90 Ca 0.00 0.00 0.22 0.00 0.11 0.00 0.00 57.88 58.21 1iti h LEU 90 Cb 0.00 -0.02 -0.12 0.00 -0.44 0.00 0.00 40.66 40.09 1iti h LEU 90 CO 0.00 0.05 0.59 -0.78 -4.11 0.00 0.00 178.44 174.19 1iti h ASP 91 N 0.09 0.70 0.17 0.17 3.58 -0.54 -0.00 116.42 120.58 1iti h ASP 91 Ca 0.18 0.12 -0.26 0.00 0.42 0.00 0.00 57.03 57.49 1iti h ASP 91 Cb 0.61 0.01 0.02 0.00 1.72 0.00 0.00 39.33 41.68 1iti h ASP 91 CO -0.02 0.17 -1.23 0.03 -2.88 0.00 0.00 179.24 175.31 1iti h ARG 92 N 0.64 0.35 -0.71 0.28 3.08 -1.34 -3.18 114.38 113.51 1iti h ARG 92 Ca 0.61 -0.60 0.15 0.00 0.07 0.00 0.00 59.98 60.21 1iti h ARG 92 Cb 1.08 0.22 -0.10 0.00 0.08 0.00 0.00 29.97 31.25 1iti h ARG 92 CO -0.44 1.29 0.18 -0.91 -1.07 0.00 0.00 179.97 179.02 1iti h ASN 93 N -0.19 0.05 0.71 7.04 -0.26 -0.92 0.12 115.58 122.13 1iti h ASN 93 Ca -0.24 0.13 -0.04 0.00 -0.56 0.00 0.00 56.30 55.60 1iti h ASN 93 Cb 1.84 0.17 0.01 0.00 -1.06 0.00 0.00 38.32 39.28 1iti h ASN 93 CO 0.16 -0.01 -0.34 -0.07 -1.06 0.00 0.00 177.43 176.11 1iti h LEU 94 N 0.29 -0.81 0.00 1.61 3.38 -1.15 -1.60 115.31 117.03 1iti h LEU 94 Ca 0.39 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1iti h LEU 94 Cb 0.64 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1iti h LEU 94 CO -0.47 -0.53 0.06 1.87 0.09 0.00 0.00 178.44 179.45 1iti n TRP 95 N -4.87 0.00 0.01 1.13 -0.00 -0.93 -2.61 117.44 110.17 1iti n TRP 95 Ca -0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.38 1iti n TRP 95 Cb 0.38 -0.23 -0.00 0.00 -0.00 0.00 0.00 31.31 31.46 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 -0.04 1.10 5.87 0.00 0.26 -3.16 103.07 107.10 1iti h GLY 96 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1iti h GLY 96 CO 0.00 -0.01 0.00 1.47 0.00 0.00 0.00 176.54 178.00 1iti n LEU 97 N -2.28 0.00 0.00 3.11 -0.00 -1.07 -2.97 117.00 113.79 1iti n LEU 97 Ca -0.00 0.06 -0.00 0.00 -0.00 0.00 0.00 56.01 56.06 1iti n LEU 97 Cb 0.01 -0.06 -0.00 0.00 -0.00 0.00 0.00 43.42 43.37 1iti n LEU 97 CO 0.01 -0.06 0.12 0.00 -0.00 0.00 0.00 177.39 177.47 1iti h ALA 98 N 1.96 -0.25 -0.12 1.47 0.00 -1.51 -3.47 119.26 117.34 1iti h ALA 98 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1iti h ALA 98 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1iti h ALA 98 CO 0.00 -0.25 -0.05 0.41 0.00 0.00 0.00 179.25 179.36 1iti n GLY 99 N 1.25 0.54 3.79 0.00 0.00 -1.16 -4.99 105.19 104.63 1iti n GLY 99 Ca -0.00 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.58 4.41 -0.10 0.99 1.43 -1.26 -5.01 118.68 118.57 1iti s LEU 100 Ca 0.00 0.96 -0.07 0.00 -1.03 0.00 0.00 54.13 53.98 1iti s LEU 100 Cb 0.00 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 1iti s LEU 100 CO 0.00 0.20 -0.14 -3.20 0.23 0.00 0.00 176.35 173.44 1iti n ASN 101 N 2.46 1.20 -4.72 2.29 2.85 -1.26 -4.89 115.26 113.19 1iti n ASN 101 Ca -0.11 0.44 -0.38 0.00 -0.11 0.00 0.00 54.58 54.41 1iti n ASN 101 Cb 0.52 -0.72 -0.06 0.00 1.24 0.00 0.00 39.78 40.76 1iti n ASN 101 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1iti s SER 102 N -5.02 6.80 -0.46 1.20 0.15 -1.26 -4.97 113.70 110.13 1iti s SER 102 Ca -0.12 0.95 0.05 0.00 0.70 0.00 0.00 55.95 57.53 1iti s SER 102 Cb 0.02 -2.33 0.26 0.00 -1.71 0.00 0.00 66.02 62.26 1iti s SER 102 CO 0.17 -0.03 0.99 0.00 1.20 0.00 0.00 173.24 175.58 1iti s PRO 104 N 0.53 3.07 0.07 0.00 0.05 -1.26 -4.87 135.00 132.58 1iti s PRO 104 Ca 0.29 2.01 -0.12 0.00 0.05 0.00 0.00 61.00 63.23 1iti s PRO 104 Cb 0.24 -2.10 -0.06 0.00 0.05 0.00 0.00 34.50 32.63 1iti s PRO 104 CO -0.19 -1.18 0.42 0.54 0.05 0.00 0.00 177.00 176.64 1iti s VAL 105 N -1.44 5.04 0.00 -0.36 0.11 -1.26 -5.02 120.40 117.47 1iti s VAL 105 Ca 0.74 0.62 0.00 0.00 -2.93 0.00 0.00 61.98 60.41 1iti s VAL 105 Cb -0.35 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 30.82 1iti s VAL 105 CO 0.40 0.37 0.00 1.17 -3.33 0.00 0.00 175.10 173.70 1iti n LYS 106 N 1.16 0.02 -1.74 1.54 4.81 -1.26 -5.09 118.16 117.59 1iti n LYS 106 Ca -0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.22 1iti n LYS 106 Cb 0.52 0.00 0.07 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 0.23 0.00 1.64 -0.58 -1.26 -5.12 120.64 115.55 1iti n GLU 107 Ca 0.00 -1.56 0.00 0.00 -0.42 0.00 0.00 57.16 55.18 1iti n GLU 107 Cb 0.00 -0.36 0.00 0.00 -0.57 0.00 0.00 31.44 30.51 1iti n GLU 107 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iti n ALA 108 N -2.93 0.00 -1.61 0.62 0.00 -1.26 -4.96 120.51 110.37 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 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 -3.82 0.00 8.00 -1.26 -4.89 116.55 114.58 1iti n ASP 109 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 1iti n ASP 109 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 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 1.65 0.78 0.02 -1.24 -0.21 -1.26 -4.15 119.66 115.24 1iti s GLN 110 Ca 0.00 -0.70 -0.22 0.00 0.02 0.00 0.00 55.36 54.46 1iti s GLN 110 Cb 0.00 0.32 0.05 0.00 1.00 0.00 0.00 33.01 34.38 1iti s GLN 110 CO 0.00 -0.24 0.51 -1.54 -2.12 0.00 0.00 175.29 171.89 1iti s SER 111 N -2.33 -0.42 0.01 5.90 1.04 -0.37 -4.52 113.70 113.01 1iti s SER 111 Ca -0.02 0.25 -0.21 0.00 0.48 0.00 0.00 55.95 56.44 1iti s SER 111 Cb 0.01 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.54 1iti s SER 111 CO -0.06 -0.65 0.63 0.42 0.98 0.00 0.00 173.24 174.56 1iti s THR 112 N -2.02 4.86 0.56 2.02 -4.23 -1.26 0.45 115.64 116.02 1iti s THR 112 Ca -0.08 1.32 0.36 0.00 -1.18 0.00 0.00 61.69 62.12 1iti s THR 112 Cb -0.01 -3.97 0.53 0.00 1.34 0.00 0.00 72.50 70.39 1iti s THR 112 CO 0.02 0.41 1.76 0.25 -0.54 0.00 0.00 174.62 176.52 1iti h LEU 113 N 5.59 0.00 0.00 4.79 5.85 -1.71 0.26 115.31 130.09 1iti h LEU 113 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1iti h LEU 113 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1iti h LEU 113 CO 0.70 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 180.01 1iti n GLU 114 N -4.02 0.00 -0.23 1.25 2.13 -1.26 -2.19 120.64 116.32 1iti n GLU 114 Ca 0.24 0.39 0.03 0.00 0.66 0.00 0.00 57.16 58.48 1iti n GLU 114 Cb 1.25 -1.10 0.14 0.00 0.27 0.00 0.00 31.44 32.00 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 -0.07 -0.75 4.31 -0.26 -1.83 0.15 115.58 117.13 1iti h ASN 115 Ca 0.00 0.14 0.16 0.00 -0.56 0.00 0.00 56.30 56.05 1iti h ASN 115 Cb 0.00 0.21 -0.11 0.00 -1.06 0.00 0.00 38.32 37.36 1iti h ASN 115 CO 0.00 -0.05 0.20 0.15 -1.06 0.00 0.00 177.43 176.67 1iti h PHE 116 N 0.22 0.31 0.00 1.19 3.04 -0.61 0.65 116.94 121.75 1iti h PHE 116 Ca 0.37 0.04 -0.07 0.00 3.98 0.00 0.00 57.97 62.29 1iti h PHE 116 Cb 0.61 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 1iti h PHE 116 CO -0.29 -0.08 -0.32 -0.07 -2.02 0.00 0.00 178.31 175.53 1iti h LEU 117 N 0.29 0.00 0.54 0.59 3.38 -0.25 -1.51 115.31 118.34 1iti h LEU 117 Ca 0.43 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 1iti h LEU 117 Cb 0.73 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.49 1iti h LEU 117 CO -0.51 0.32 -0.26 -0.08 0.09 0.00 0.00 178.44 178.00 1iti h GLU 118 N 0.00 -0.69 -0.82 1.13 4.57 0.13 0.30 114.58 119.19 1iti h GLU 118 Ca -0.00 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.29 1iti h GLU 118 Cb 0.64 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.33 1iti h GLU 118 CO 0.04 -0.46 0.54 0.07 -1.18 0.00 0.00 179.01 178.01 1iti h ARG 119 N -1.18 0.85 0.38 1.92 0.11 -1.16 0.19 114.38 115.51 1iti h ARG 119 Ca -0.07 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 59.94 1iti h ARG 119 Cb 0.55 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.44 1iti h ARG 119 CO 0.12 0.57 -0.18 1.25 0.10 0.00 0.00 179.97 181.82 1iti h LEU 120 N 0.88 -0.44 -0.78 0.08 6.46 -1.27 0.35 115.31 120.60 1iti h LEU 120 Ca 0.36 0.02 0.17 0.00 -0.12 0.00 0.00 57.88 58.30 1iti h LEU 120 Cb 0.26 0.11 -0.11 0.00 -0.73 0.00 0.00 40.66 40.19 1iti h LEU 120 CO -0.13 -0.13 0.24 0.50 -0.62 0.00 0.00 178.44 178.30 1iti h LYS 121 N -0.88 0.31 -0.01 1.25 3.64 -0.24 0.05 116.57 120.69 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 0.40 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1iti h LYS 121 CO 0.09 0.21 0.00 1.15 -2.27 0.00 0.00 179.45 178.63 1iti h THR 122 N 0.32 1.11 -0.66 1.00 2.02 -0.65 -2.70 112.91 113.35 1iti h THR 122 Ca 0.45 -0.32 0.11 0.00 0.77 0.00 0.00 66.41 67.42 1iti h THR 122 Cb 0.77 1.31 -0.08 0.00 -1.74 0.00 0.00 68.15 68.41 1iti h THR 122 CO -0.50 0.08 0.23 0.40 0.37 0.00 0.00 175.52 176.10 1iti h ILE 123 N -0.12 0.70 0.19 3.11 2.04 0.79 -0.44 117.51 123.78 1iti h ILE 123 Ca 0.00 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.74 1iti h ILE 123 Cb 0.13 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1iti h ILE 123 CO -0.00 0.07 -0.48 0.24 0.00 0.00 0.00 178.15 177.98 1iti h MET 124 N 0.39 -0.73 -0.32 2.37 2.86 -0.78 0.12 114.93 118.84 1iti h MET 124 Ca 0.34 0.05 0.09 0.00 -2.06 0.00 0.00 59.70 58.13 1iti h MET 124 Cb 0.48 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1iti h MET 124 CO -0.36 -0.49 0.26 0.00 1.06 0.00 0.00 176.91 177.38 1iti h ARG 125 N -0.76 0.00 0.50 1.72 3.08 -1.09 0.49 114.38 118.32 1iti h ARG 125 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1iti h ARG 125 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1iti h ARG 125 CO -0.23 0.00 -0.24 1.49 -1.07 0.00 0.00 179.97 179.92 1iti h GLU 126 N 0.00 -0.64 0.00 0.04 4.81 0.84 -2.75 114.58 116.89 1iti h GLU 126 Ca 0.15 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1iti h GLU 126 Cb 0.66 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1iti h GLU 126 CO -0.00 -0.43 0.00 1.63 -0.73 0.00 0.00 179.01 179.48 1iti n LYS 127 N -4.28 0.03 0.00 1.92 5.02 -0.45 -1.91 118.16 118.49 1iti n LYS 127 Ca -0.08 0.40 0.04 0.00 -2.02 0.00 0.00 58.31 56.64 1iti n LYS 127 Cb 0.26 -1.58 0.24 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.64 0.00 -2.08 2.13 9.36 0.13 -4.76 117.16 120.30 1iti n TYR 128 Ca 0.02 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.81 1iti n TYR 128 Cb 0.10 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.78 1iti n TYR 128 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1iti s SER 129 N -1.64 6.73 0.00 2.98 1.04 -0.80 -4.67 113.70 117.33 1iti s SER 129 Ca 0.12 2.29 0.00 0.00 0.48 0.00 0.00 55.95 58.84 1iti s SER 129 Cb 0.06 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1iti s SER 129 CO 0.09 -0.80 0.00 2.29 0.98 0.00 0.00 173.24 175.80 1iti n LYS 130 N 5.54 0.00 -0.67 4.02 2.85 -1.26 -4.94 118.16 123.70 1iti n LYS 130 Ca 0.15 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.39 1iti n LYS 130 Cb 0.42 0.00 0.23 0.00 -0.65 0.00 0.00 35.03 35.03 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 0.12 -2.03 0.00 0.00 2.88 -1.26 -5.12 113.62 108.21 1iti n SER 132 Ca 0.25 -3.01 0.00 0.00 -1.33 0.00 0.00 58.87 54.77 1iti n SER 132 Cb 1.00 1.01 0.00 0.00 -0.75 0.00 0.00 64.21 65.47 1iti n SER 132 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27