#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iti n ALA 2 N 0.00 1.86 -2.70 0.62 0.00 -1.26 -4.77 120.51 114.27 1iti n ALA 2 Ca 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 53.44 52.83 1iti n ALA 2 Cb 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 19.45 18.54 1iti n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1iti n GLU 3 N -2.91 0.30 -2.77 0.00 2.13 -1.26 -5.16 120.64 110.97 1iti n GLU 3 Ca -0.11 -1.16 -0.27 0.00 0.66 0.00 0.00 57.16 56.28 1iti n GLU 3 Cb 0.87 -0.54 -0.00 0.00 0.27 0.00 0.00 31.44 32.04 1iti n GLU 3 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iti s ALA 4 N 0.69 3.45 0.00 4.31 0.00 -1.26 -5.08 121.76 123.86 1iti s ALA 4 Ca 0.27 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1iti s ALA 4 Cb 0.14 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1iti s ALA 4 CO -0.11 -0.27 0.00 0.72 0.00 0.00 0.00 175.76 176.10 1iti n HIS 5 N -2.11 0.00 -2.21 0.00 -0.00 -1.26 -5.05 115.22 104.59 1iti n HIS 5 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1iti n HIS 5 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.53 1iti n HIS 5 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1iti n LYS 6 N 0.00 0.00 -1.57 -0.41 -0.00 -1.26 -5.11 118.16 109.81 1iti n LYS 6 Ca 0.00 -1.30 -0.48 0.00 -0.00 0.00 0.00 58.31 56.53 1iti n LYS 6 Cb 0.00 0.03 -0.04 0.00 -0.00 0.00 0.00 35.03 35.02 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iti s ASP 8 N -0.09 7.37 0.31 0.00 -1.08 -1.26 -4.93 116.67 116.99 1iti s ASP 8 Ca 0.72 1.92 0.18 0.00 -0.52 0.00 0.00 52.55 54.84 1iti s ASP 8 Cb -0.84 -2.59 0.13 0.00 -1.46 0.00 0.00 42.92 38.15 1iti s ASP 8 CO 0.53 -0.16 1.44 -0.29 0.52 0.00 0.00 175.17 177.20 1iti h ILE 9 N 3.99 0.54 0.53 4.11 2.10 -2.01 -3.33 117.51 123.44 1iti h ILE 9 Ca -0.43 -1.79 -0.02 0.00 1.08 0.00 0.00 64.86 63.70 1iti h ILE 9 Cb 1.21 2.23 0.00 0.00 -1.09 0.00 0.00 36.82 39.17 1iti h ILE 9 CO 0.73 0.31 -0.28 0.74 -1.08 0.00 0.00 178.15 178.57 1iti h THR 10 N 0.00 0.42 0.00 2.19 2.02 -2.00 -0.50 112.91 115.05 1iti h THR 10 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1iti h THR 10 Cb 1.27 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1iti h THR 10 CO 0.04 0.00 0.26 -0.07 0.37 0.00 0.00 175.52 176.12 1iti h LEU 11 N -0.75 0.00 0.02 2.58 3.38 -1.99 -0.61 115.31 117.93 1iti h LEU 11 Ca -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1iti h LEU 11 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1iti h LEU 11 CO 0.10 0.00 -0.01 -0.61 0.09 0.00 0.00 178.44 178.01 1iti h GLN 12 N 0.00 -0.02 -0.08 1.13 4.15 -1.24 -2.62 115.11 116.43 1iti h GLN 12 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.45 1iti h GLN 12 Cb 0.52 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 1iti h GLN 12 CO 0.00 -0.01 0.22 1.05 -1.93 0.00 0.00 178.83 178.16 1iti h GLU 13 N -0.47 0.00 -0.01 1.69 4.11 -0.99 -1.07 114.58 117.84 1iti h GLU 13 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.36 1iti h GLU 13 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1iti h GLU 13 CO 0.00 0.00 -0.25 0.82 0.07 0.00 0.00 179.01 179.66 1iti h ILE 14 N 0.00 1.53 0.01 -1.06 2.04 -1.20 -2.43 117.51 116.41 1iti h ILE 14 Ca 0.04 -1.91 -0.00 0.00 1.00 0.00 0.00 64.86 63.99 1iti h ILE 14 Cb 0.48 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 1iti h ILE 14 CO -0.00 0.52 -0.01 0.40 0.00 0.00 0.00 178.15 179.07 1iti h ILE 15 N -0.48 1.00 -0.78 -0.67 2.04 -0.81 -0.79 117.51 117.02 1iti h ILE 15 Ca -0.03 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.85 1iti h ILE 15 Cb 0.99 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 1iti h ILE 15 CO 0.05 0.01 0.46 0.11 0.00 0.00 0.00 178.15 178.78 1iti h LYS 16 N -0.04 0.81 -0.58 2.37 1.57 -1.52 -1.60 116.57 117.59 1iti h LYS 16 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1iti h LYS 16 Cb 0.04 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1iti h LYS 16 CO 0.00 0.53 0.31 1.15 -0.57 0.00 0.00 179.45 180.88 1iti h THR 17 N 0.83 1.19 -0.98 -0.16 2.02 -0.99 -2.19 112.91 112.64 1iti h THR 17 Ca 0.35 -0.49 0.13 0.00 0.77 0.00 0.00 66.41 67.18 1iti h THR 17 Cb 0.21 0.46 -0.09 0.00 -1.74 0.00 0.00 68.15 66.99 1iti h THR 17 CO -0.19 0.21 0.60 -0.07 0.37 0.00 0.00 175.52 176.44 1iti h LEU 18 N 0.78 0.85 0.27 2.58 3.38 -0.17 -1.77 115.31 121.22 1iti h LEU 18 Ca 0.20 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1iti h LEU 18 Cb 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1iti h LEU 18 CO -0.03 0.42 -0.13 0.78 0.09 0.00 0.00 178.44 179.57 1iti h ASN 19 N 0.91 -0.31 -0.83 -0.43 4.21 -0.99 -2.65 115.58 115.49 1iti h ASN 19 Ca 0.50 -0.06 0.19 0.00 1.21 0.00 0.00 56.30 58.14 1iti h ASN 19 Cb 0.57 0.08 -0.12 0.00 -1.12 0.00 0.00 38.32 37.74 1iti h ASN 19 CO -0.30 -0.13 0.31 0.28 -1.29 0.00 0.00 177.43 176.30 1iti h SER 20 N -0.47 0.21 -0.09 5.81 0.02 -1.03 -0.06 113.55 117.94 1iti h SER 20 Ca -0.04 0.15 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1iti h SER 20 Cb 0.35 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 1iti h SER 20 CO 0.06 0.00 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.57 1iti h LEU 21 N 0.36 -0.36 -1.02 5.07 3.38 -1.06 -1.25 115.31 120.44 1iti h LEU 21 Ca 0.49 0.07 0.21 0.00 0.09 0.00 0.00 57.88 58.74 1iti h LEU 21 Cb 0.88 0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.69 1iti h LEU 21 CO -0.51 -0.16 0.61 0.71 0.09 0.00 0.00 178.44 179.18 1iti h THR 22 N -0.15 0.64 -0.16 0.22 1.35 -0.68 0.67 112.91 114.79 1iti h THR 22 Ca 0.07 -0.23 0.05 0.00 -0.55 0.00 0.00 66.41 65.75 1iti h THR 22 Cb 0.26 -0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 66.56 1iti h THR 22 CO -0.18 0.12 0.12 -0.33 -0.25 0.00 0.00 175.52 175.00 1iti h GLU 23 N 0.68 0.00 -6.11 4.72 5.08 -0.82 -3.40 114.58 114.74 1iti h GLU 23 Ca 0.61 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.38 1iti h GLU 23 Cb 1.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 1iti h GLU 23 CO -0.42 0.00 -0.10 -0.65 -1.00 0.00 0.00 179.01 176.84 1iti s GLN 24 N -5.00 4.12 -0.06 2.33 -1.52 0.24 -5.07 119.66 114.69 1iti s GLN 24 Ca -0.05 0.60 -0.03 0.00 -1.95 0.00 0.00 55.36 53.93 1iti s GLN 24 Cb 0.18 -3.26 0.04 0.00 -0.22 0.00 0.00 33.01 29.75 1iti s GLN 24 CO 0.67 0.60 0.14 0.15 -0.25 0.00 0.00 175.29 176.60 1iti s LYS 25 N -0.89 0.07 0.35 2.91 1.02 -1.26 -4.95 119.74 116.99 1iti s LYS 25 Ca 0.27 0.39 0.03 0.00 0.02 0.00 0.00 55.97 56.67 1iti s LYS 25 Cb -0.18 -0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 36.91 1iti s LYS 25 CO 0.16 -0.19 0.41 0.95 -0.92 0.00 0.00 175.35 175.76 1iti s THR 26 N 1.37 0.00 -0.36 2.17 -4.23 -1.26 -5.02 115.64 108.32 1iti s THR 26 Ca -0.07 -1.77 0.27 0.00 -1.18 0.00 0.00 61.69 58.94 1iti s THR 26 Cb -0.12 -2.61 0.30 0.00 1.34 0.00 0.00 72.50 71.41 1iti s THR 26 CO -0.06 0.00 1.79 0.17 -0.54 0.00 0.00 174.62 175.98 1iti h LEU 27 N 2.08 0.00 -0.33 4.79 8.10 -1.94 -2.88 115.31 125.13 1iti h LEU 27 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.73 1iti h LEU 27 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.45 1iti h LEU 27 CO 0.37 0.00 0.06 0.00 -4.11 0.00 0.00 178.44 174.76 1iti h THR 29 N 0.00 1.29 0.00 0.00 1.35 -1.94 -3.14 112.91 110.47 1iti h THR 29 Ca 0.00 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.17 1iti h THR 29 Cb 0.11 3.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1iti h THR 29 CO 0.00 0.81 0.18 -0.62 -0.25 0.00 0.00 175.52 175.64 1iti n GLU 30 N -3.72 0.00 -2.43 4.72 1.02 -0.19 -3.95 120.64 116.09 1iti n GLU 30 Ca -0.16 0.29 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 1iti n GLU 30 Cb 1.09 -1.68 -0.02 0.00 -0.02 0.00 0.00 31.44 30.81 1iti n GLU 30 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1iti s LEU 31 N -2.57 4.22 -0.30 -4.62 1.43 -1.19 -4.98 118.68 110.68 1iti s LEU 31 Ca 0.00 1.75 -0.28 0.00 -1.03 0.00 0.00 54.13 54.57 1iti s LEU 31 Cb 0.00 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.69 1iti s LEU 31 CO 0.00 -0.69 1.00 0.42 0.23 0.00 0.00 176.35 177.32 1iti s THR 32 N 2.95 4.60 0.43 5.49 -4.23 -1.26 -3.49 115.64 120.12 1iti s THR 32 Ca 0.55 1.67 -0.00 0.00 -1.18 0.00 0.00 61.69 62.73 1iti s THR 32 Cb -0.23 -4.34 0.09 0.00 1.34 0.00 0.00 72.50 69.36 1iti s THR 32 CO 0.18 -0.37 0.59 1.33 -0.54 0.00 0.00 174.62 175.80 1iti n VAL 33 N 5.69 0.00 -3.49 2.29 0.24 0.12 -4.81 118.33 118.38 1iti n VAL 33 Ca 0.10 -0.92 -0.37 0.00 -2.04 0.00 0.00 64.34 61.12 1iti n VAL 33 Cb 0.47 -1.10 -0.06 0.00 -1.47 0.00 0.00 33.84 31.68 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 -1.72 5.00 -0.14 3.34 2.01 -1.26 -1.48 115.64 121.39 1iti s THR 34 Ca 0.39 0.76 -0.17 0.00 0.31 0.00 0.00 61.69 62.97 1iti s THR 34 Cb -0.02 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1iti s THR 34 CO 0.26 0.45 0.45 -0.62 -0.69 0.00 0.00 174.62 174.47 1iti s ASP 35 N -1.36 6.62 -0.03 3.53 2.15 -1.26 -4.74 116.67 121.58 1iti s ASP 35 Ca 0.29 0.73 0.16 0.00 0.43 0.00 0.00 52.55 54.16 1iti s ASP 35 Cb -0.16 -2.27 -0.20 0.00 -0.30 0.00 0.00 42.92 39.99 1iti s ASP 35 CO 0.16 -0.01 0.62 2.30 -0.17 0.00 0.00 175.17 178.06 1iti n ILE 36 N 3.80 1.32 1.41 4.11 -5.35 -1.26 -3.81 119.36 119.57 1iti n ILE 36 Ca -0.08 -0.75 0.12 0.00 -0.27 0.00 0.00 62.75 61.77 1iti n ILE 36 Cb 0.51 -0.76 0.68 0.00 -1.74 0.00 0.00 39.64 38.34 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 -2.89 0.00 0.40 4.28 3.72 -1.26 -3.07 117.46 118.64 1iti n PHE 37 Ca -0.16 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1iti n PHE 37 Cb 0.96 -0.06 0.11 0.00 -0.94 0.00 0.00 39.48 39.54 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 -1.06 3.05 -2.67 4.37 0.00 -1.25 -3.92 120.51 119.03 1iti n ALA 38 Ca 0.16 -0.65 -0.04 0.00 0.00 0.00 0.00 53.44 52.91 1iti n ALA 38 Cb 0.10 -1.06 0.09 0.00 0.00 0.00 0.00 19.45 18.58 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 0.15 0.84 -2.59 0.00 0.00 -1.18 -4.75 120.51 112.99 1iti n ALA 39 Ca 0.11 -0.94 -0.43 0.00 0.00 0.00 0.00 53.44 52.18 1iti n ALA 39 Cb 0.61 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.90 6.58 0.00 0.00 0.15 -1.25 -4.76 113.70 113.52 1iti s SER 40 Ca 0.13 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1iti s SER 40 Cb 0.32 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1iti s SER 40 CO -0.08 -1.15 0.00 0.29 1.20 0.00 0.00 173.24 173.50 1iti n LYS 41 N 7.51 0.00 -0.16 5.44 5.02 -1.26 -4.92 118.16 129.79 1iti n LYS 41 Ca 0.09 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.46 1iti n LYS 41 Cb 0.49 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.73 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 -0.30 1.96 -4.63 4.39 -0.08 -1.26 -4.82 116.55 111.80 1iti n ASP 42 Ca 0.00 -1.91 -0.40 0.00 -1.51 0.00 0.00 54.79 50.97 1iti n ASP 42 Cb 0.00 -0.21 -0.07 0.00 2.34 0.00 0.00 41.12 43.18 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1iti s THR 43 N -1.58 5.09 0.79 5.18 -4.23 -1.26 -5.05 115.64 114.58 1iti s THR 43 Ca 0.28 0.89 -0.06 0.00 -1.18 0.00 0.00 61.69 61.62 1iti s THR 43 Cb 0.15 -3.82 0.14 0.00 1.34 0.00 0.00 72.50 70.30 1iti s THR 43 CO 0.20 0.12 1.09 0.28 -0.54 0.00 0.00 174.62 175.78 1iti s THR 44 N 2.06 2.13 0.43 3.99 -1.32 -1.26 -4.78 115.64 116.90 1iti s THR 44 Ca 0.22 -0.37 0.24 0.00 -1.21 0.00 0.00 61.69 60.57 1iti s THR 44 Cb -0.16 -2.76 0.44 0.00 -1.51 0.00 0.00 72.50 68.51 1iti s THR 44 CO 0.09 0.00 1.75 -0.33 -2.21 0.00 0.00 174.62 173.92 1iti h GLU 45 N -0.86 0.25 0.55 7.08 4.39 -1.99 0.54 114.58 124.55 1iti h GLU 45 Ca -0.40 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.26 1iti h GLU 45 Cb 1.27 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1iti h GLU 45 CO 0.43 0.17 -0.26 0.87 -1.16 0.00 0.00 179.01 179.05 1iti h LYS 46 N 0.26 -0.71 0.00 2.33 1.79 -1.99 -1.41 116.57 116.84 1iti h LYS 46 Ca 0.63 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 59.15 1iti h LYS 46 Cb 1.85 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.67 1iti h LYS 46 CO -0.26 -0.46 0.00 0.93 -1.08 0.00 0.00 179.45 178.58 1iti h GLU 47 N -0.77 0.00 -0.04 3.15 5.08 -1.29 -2.54 114.58 118.18 1iti h GLU 47 Ca -0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1iti h GLU 47 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1iti h GLU 47 CO 0.12 0.00 -0.19 1.15 -1.00 0.00 0.00 179.01 179.09 1iti h THR 48 N 0.00 1.48 -0.05 1.13 2.02 -0.08 -2.32 112.91 115.10 1iti h THR 48 Ca 0.00 -1.69 -0.11 0.00 0.77 0.00 0.00 66.41 65.38 1iti h THR 48 Cb 0.18 2.48 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 1iti h THR 48 CO 0.00 0.47 -0.47 -0.26 0.37 0.00 0.00 175.52 175.62 1iti h PHE 49 N -0.39 0.13 0.57 3.16 0.04 -1.04 -2.64 116.94 116.77 1iti h PHE 49 Ca -0.01 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 1iti h PHE 49 Cb 0.86 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.99 1iti h PHE 49 CO 0.15 0.57 -0.27 0.00 -0.60 0.00 0.00 178.31 178.15 1iti h ARG 51 N -1.08 0.14 -0.69 0.00 3.08 -1.44 0.66 114.38 115.06 1iti h ARG 51 Ca -0.08 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.08 1iti h ARG 51 Cb 0.65 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.58 1iti h ARG 51 CO 0.13 0.09 0.28 0.00 -1.07 0.00 0.00 179.97 179.40 1iti h ALA 52 N 1.49 0.93 -0.60 0.04 0.00 -1.44 -0.55 119.26 119.13 1iti h ALA 52 Ca 0.29 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1iti h ALA 52 Cb 0.44 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1iti h ALA 52 CO -0.45 -0.18 0.21 0.00 0.00 0.00 0.00 179.25 178.84 1iti h ALA 53 N 1.48 0.79 -0.76 0.00 0.00 -0.22 -2.60 119.26 117.94 1iti h ALA 53 Ca 0.36 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.25 1iti h ALA 53 Cb 0.48 -0.23 -0.11 0.00 0.00 0.00 0.00 17.79 17.93 1iti h ALA 53 CO -0.34 0.43 0.22 1.15 0.00 0.00 0.00 179.25 180.71 1iti h THR 54 N 0.85 0.52 0.79 0.00 2.02 0.52 0.31 112.91 117.92 1iti h THR 54 Ca 0.20 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 1iti h THR 54 Cb 0.25 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1iti h THR 54 CO -0.01 0.06 -0.38 0.58 0.37 0.00 0.00 175.52 176.13 1iti h VAL 55 N 0.31 0.05 -0.99 3.16 2.07 -1.10 -2.37 116.25 117.38 1iti h VAL 55 Ca 0.44 -0.20 0.27 0.00 0.82 0.00 0.00 66.70 68.03 1iti h VAL 55 Cb 0.75 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1iti h VAL 55 CO -0.50 0.01 0.68 -0.07 0.02 0.00 0.00 177.57 177.70 1iti h LEU 56 N -1.25 0.21 0.09 2.57 3.38 -1.06 0.09 115.31 119.34 1iti h LEU 56 Ca -0.11 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1iti h LEU 56 Cb 0.82 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1iti h LEU 56 CO 0.18 0.06 -0.04 -0.09 0.09 0.00 0.00 178.44 178.63 1iti h ARG 57 N 0.19 -0.12 0.00 1.13 2.43 -0.01 -2.40 114.38 115.60 1iti h ARG 57 Ca 0.51 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 1iti h ARG 57 Cb 1.65 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 1iti h ARG 57 CO -0.12 -0.08 0.00 0.00 -1.51 0.00 0.00 179.97 178.26 1iti n GLN 58 N -2.38 0.16 0.00 0.20 -0.00 -0.93 -1.64 117.38 112.79 1iti n GLN 58 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1iti n GLN 58 Cb 0.05 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 28.79 1iti n GLN 58 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1iti n PHE 59 N -1.02 0.00 1.06 2.61 7.35 -0.02 -3.08 117.46 124.36 1iti n PHE 59 Ca 0.04 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.83 1iti n PHE 59 Cb 0.02 -0.24 0.55 0.00 0.35 0.00 0.00 39.48 40.16 1iti n PHE 59 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 1iti n TYR 60 N -1.64 0.00 -0.01 -5.13 0.18 -0.99 -1.09 117.16 108.48 1iti n TYR 60 Ca 0.00 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.57 1iti n TYR 60 Cb 0.00 -0.23 -0.14 0.00 -0.38 0.00 0.00 39.34 38.59 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 -1.23 2.11 0.01 9.48 7.64 -0.65 -2.87 113.62 128.11 1iti n SER 61 Ca 0.11 0.22 -0.04 0.00 1.01 0.00 0.00 58.87 60.17 1iti n SER 61 Cb 0.15 -0.86 -0.11 0.00 -1.01 0.00 0.00 64.21 62.38 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 -3.55 1.01 0.02 1.43 8.25 -1.17 -4.21 115.22 116.99 1iti n HIS 62 Ca -0.32 0.35 -0.19 0.00 -0.26 0.00 0.00 57.72 57.30 1iti n HIS 62 Cb 1.02 -1.13 -0.14 0.00 1.12 0.00 0.00 29.99 30.85 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 0.00 0.42 -0.34 4.41 3.86 -1.30 -3.08 115.15 119.11 1iti h HIS 63 Ca -0.21 -0.30 0.10 0.00 -1.16 0.00 0.00 60.37 58.79 1iti h HIS 63 Cb 1.76 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 30.20 1iti h HIS 63 CO 0.00 1.25 0.73 1.49 0.86 0.00 0.00 177.93 182.26 1iti h GLU 64 N -0.52 0.00 0.00 2.45 4.81 -1.70 1.18 114.58 120.81 1iti h GLU 64 Ca -0.12 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.87 1iti h GLU 64 Cb 1.50 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.84 1iti h GLU 64 CO 0.11 0.00 -1.77 1.63 -0.73 0.00 0.00 179.01 178.25 1iti n LYS 65 N -3.08 0.64 -2.56 1.92 5.02 -1.22 -4.90 118.16 113.99 1iti n LYS 65 Ca 0.07 0.17 -0.37 0.00 -2.02 0.00 0.00 58.31 56.16 1iti n LYS 65 Cb 0.86 -1.72 -0.04 0.00 -0.02 0.00 0.00 35.03 34.11 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 -5.74 6.87 -0.46 4.39 -1.08 0.41 -4.93 116.67 116.12 1iti s ASP 66 Ca -0.05 2.04 -0.01 0.00 -0.52 0.00 0.00 52.55 54.01 1iti s ASP 66 Cb 0.08 -2.59 0.32 0.00 -1.46 0.00 0.00 42.92 39.28 1iti s ASP 66 CO 0.83 -0.41 2.01 0.35 0.52 0.00 0.00 175.17 178.47 1iti n THR 67 N 0.13 3.13 -0.07 1.71 -2.24 -1.26 -4.46 114.28 111.22 1iti n THR 67 Ca 0.04 -2.17 -0.05 0.00 -2.27 0.00 0.00 64.05 59.61 1iti n THR 67 Cb 0.49 -1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 67.48 1iti n THR 67 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1iti n ARG 68 N -0.23 0.43 0.00 -0.78 5.12 -1.26 -3.94 116.66 116.00 1iti n ARG 68 Ca 0.44 0.49 0.00 0.00 -1.93 0.00 0.00 57.85 56.85 1iti n ARG 68 Cb 0.65 -1.62 0.00 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 -0.44 0.09 -0.26 0.00 4.77 -1.26 -4.65 117.00 115.25 1iti n LEU 70 Ca 0.00 0.10 0.04 0.00 -0.03 0.00 0.00 56.01 56.12 1iti n LEU 70 Cb 0.02 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.66 1iti n LEU 70 CO 0.00 -0.44 -0.05 0.61 -1.33 0.00 0.00 177.39 176.19 1iti n GLY 71 N 1.73 -1.40 0.10 -0.72 0.00 -1.25 -4.03 105.19 99.62 1iti n GLY 71 Ca 0.00 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.26 1.49 -1.26 4.61 0.00 -1.26 -4.83 120.51 118.00 1iti n ALA 72 Ca 0.00 -1.20 -0.37 0.00 0.00 0.00 0.00 53.44 51.87 1iti n ALA 72 Cb 0.12 -0.33 0.05 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.84 1.27 -0.06 0.00 -2.24 -1.26 -4.88 114.28 104.26 1iti n THR 73 Ca -0.30 -0.45 -0.17 0.00 -2.27 0.00 0.00 64.05 60.86 1iti n THR 73 Cb 1.13 -0.48 -0.13 0.00 -2.10 0.00 0.00 70.33 68.75 1iti n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iti h ALA 74 N -0.25 0.07 -0.86 6.98 0.00 -1.94 -3.02 119.26 120.23 1iti h ALA 74 Ca -0.44 -0.74 0.14 0.00 0.00 0.00 0.00 54.91 53.87 1iti h ALA 74 Cb 1.38 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 19.33 1iti h ALA 74 CO 0.41 0.27 0.56 -0.56 0.00 0.00 0.00 179.25 179.93 1iti h GLN 75 N -0.89 0.64 -0.06 0.00 -0.00 -1.98 0.15 115.11 112.96 1iti h GLN 75 Ca -0.12 -0.04 -0.13 0.00 -0.00 0.00 0.00 58.65 58.35 1iti h GLN 75 Cb 1.19 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.48 28.52 1iti h GLN 75 CO -0.03 0.42 -0.56 0.37 -0.00 0.00 0.00 178.83 179.02 1iti h GLN 76 N 0.65 0.20 -0.52 0.06 5.75 -1.86 -1.22 115.11 118.16 1iti h GLN 76 Ca 0.43 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.77 1iti h GLN 76 Cb 0.71 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.25 1iti h GLN 76 CO -0.19 0.71 0.21 0.35 -2.65 0.00 0.00 178.83 177.26 1iti h PHE 77 N 0.15 0.79 0.09 3.99 3.57 -0.58 -1.96 116.94 122.99 1iti h PHE 77 Ca -0.00 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1iti h PHE 77 Cb 1.04 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1iti h PHE 77 CO 0.02 0.65 -0.04 1.25 -2.23 0.00 0.00 178.31 177.95 1iti h HIS 78 N 0.70 -0.11 -0.92 0.41 2.76 -1.34 -2.76 115.15 113.89 1iti h HIS 78 Ca 0.17 -0.00 0.27 0.00 -2.20 0.00 0.00 60.37 58.61 1iti h HIS 78 Cb 0.19 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.15 1iti h HIS 78 CO 0.00 0.42 0.82 0.00 -1.30 0.00 0.00 177.93 177.88 1iti h ARG 79 N -0.85 0.00 0.09 5.26 3.08 -1.23 -0.14 114.38 120.59 1iti h ARG 79 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1iti h ARG 79 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1iti h ARG 79 CO 0.02 0.00 -0.04 1.25 -1.07 0.00 0.00 179.97 180.13 1iti h HIS 80 N 0.00 -0.11 -0.44 3.04 2.76 -1.28 -2.93 115.15 116.19 1iti h HIS 80 Ca 0.44 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.69 1iti h HIS 80 Cb 2.08 0.04 -0.08 0.00 1.55 0.00 0.00 27.41 31.00 1iti h HIS 80 CO 0.00 0.21 -0.03 0.87 -1.30 0.00 0.00 177.93 177.68 1iti h LYS 81 N -0.99 0.07 -0.48 5.26 1.57 -0.80 0.28 116.57 121.49 1iti h LYS 81 Ca -0.01 -0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 1iti h LYS 81 Cb 0.37 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1iti h LYS 81 CO 0.02 0.05 0.34 0.37 -0.57 0.00 0.00 179.45 179.66 1iti h GLN 82 N 0.08 0.13 0.50 3.15 4.15 -1.22 -2.18 115.11 119.73 1iti h GLN 82 Ca 0.22 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.61 1iti h GLN 82 Cb 0.33 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1iti h GLN 82 CO -0.39 0.09 -0.24 1.25 -1.93 0.00 0.00 178.83 177.60 1iti h LEU 83 N 0.14 -0.57 -1.84 -2.39 6.46 -0.27 -2.65 115.31 114.19 1iti h LEU 83 Ca 0.23 -0.01 0.36 0.00 -0.12 0.00 0.00 57.88 58.33 1iti h LEU 83 Cb 0.72 0.15 -0.07 0.00 -0.73 0.00 0.00 40.66 40.73 1iti h LEU 83 CO -0.03 -0.16 0.87 0.40 -0.62 0.00 0.00 178.44 178.90 1iti h ILE 84 N -1.15 0.37 -0.05 4.05 1.08 -0.90 0.22 117.51 121.14 1iti h ILE 84 Ca -0.07 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 1iti h ILE 84 Cb 0.55 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 34.58 1iti h ILE 84 CO 0.11 0.01 -0.02 -0.09 -0.69 0.00 0.00 178.15 177.48 1iti h ARG 85 N 0.08 0.09 -0.49 2.37 2.43 -1.27 0.48 114.38 118.08 1iti h ARG 85 Ca 0.62 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.85 1iti h ARG 85 Cb 2.29 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 31.76 1iti h ARG 85 CO -0.09 0.47 0.02 0.74 -1.51 0.00 0.00 179.97 179.60 1iti h PHE 86 N -0.29 0.01 0.07 2.20 0.04 -0.21 -0.65 116.94 118.11 1iti h PHE 86 Ca 0.01 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1iti h PHE 86 Cb 0.45 0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1iti h PHE 86 CO 0.07 -0.09 -0.03 -0.07 -0.60 0.00 0.00 178.31 177.58 1iti h LEU 87 N 0.14 -0.08 -0.97 1.54 3.38 -1.42 -2.23 115.31 115.66 1iti h LEU 87 Ca 0.25 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1iti h LEU 87 Cb 0.37 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1iti h LEU 87 CO -0.39 0.30 0.25 0.29 0.09 0.00 0.00 178.44 178.97 1iti n LYS 88 N -4.96 0.10 0.00 1.13 5.02 0.15 0.27 118.16 119.88 1iti n LYS 88 Ca -0.08 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1iti n LYS 88 Cb 0.21 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 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 -2.09 0.00 -0.21 1.97 0.63 -0.30 -4.14 116.66 112.53 1iti n ARG 89 Ca -0.01 0.16 0.10 0.00 -0.92 0.00 0.00 57.85 57.18 1iti n ARG 89 Cb 0.27 -0.57 0.39 0.00 0.45 0.00 0.00 32.46 33.00 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 0.60 -1.67 6.15 8.10 -1.30 0.14 115.31 127.33 1iti h LEU 90 Ca 0.00 0.02 0.31 0.00 0.11 0.00 0.00 57.88 58.32 1iti h LEU 90 Cb 0.00 -0.10 -0.07 0.00 -0.44 0.00 0.00 40.66 40.04 1iti h LEU 90 CO 0.00 0.35 0.76 -0.78 -4.11 0.00 0.00 178.44 174.66 1iti h ASP 91 N 0.66 0.22 0.13 0.17 3.58 -0.39 0.69 116.42 121.48 1iti h ASP 91 Ca 0.37 0.05 -0.27 0.00 0.42 0.00 0.00 57.03 57.59 1iti h ASP 91 Cb 0.53 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1iti h ASP 91 CO -0.14 0.03 -1.38 0.03 -2.88 0.00 0.00 179.24 174.90 1iti h ARG 92 N 0.19 0.27 -0.30 0.28 2.47 -1.13 -3.27 114.38 112.88 1iti h ARG 92 Ca 0.58 -0.46 0.06 0.00 -1.26 0.00 0.00 59.98 58.91 1iti h ARG 92 Cb 1.90 0.17 -0.06 0.00 -1.65 0.00 0.00 29.97 30.33 1iti h ARG 92 CO -0.16 1.22 -0.12 -0.91 0.56 0.00 0.00 179.97 180.56 1iti h ASN 93 N -0.26 -0.41 0.04 7.04 4.21 -0.62 0.64 115.58 126.21 1iti h ASN 93 Ca -0.29 0.11 -0.00 0.00 1.21 0.00 0.00 56.30 57.33 1iti h ASN 93 Cb 1.79 0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 39.23 1iti h ASN 93 CO 0.09 -0.15 -0.05 -0.07 -1.29 0.00 0.00 177.43 175.95 1iti h LEU 94 N -0.06 -0.14 -0.19 1.61 3.38 -1.21 0.17 115.31 118.86 1iti h LEU 94 Ca 0.15 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1iti h LEU 94 Cb 0.30 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1iti h LEU 94 CO -0.35 -0.06 0.23 1.87 0.09 0.00 0.00 178.44 180.22 1iti n TRP 95 N -2.61 0.10 0.04 1.13 -0.00 -1.13 -2.09 117.44 112.88 1iti n TRP 95 Ca -0.01 0.05 -0.02 0.00 -0.00 0.00 0.00 57.50 57.52 1iti n TRP 95 Cb 0.04 -0.37 -0.01 0.00 -0.00 0.00 0.00 31.31 30.97 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 -0.14 1.14 5.87 0.00 0.17 -3.05 103.07 107.06 1iti h GLY 96 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1iti h GLY 96 CO 0.00 -0.05 0.00 1.47 0.00 0.00 0.00 176.54 177.96 1iti n LEU 97 N -2.76 0.00 0.00 3.11 -0.00 -0.89 -2.97 117.00 113.49 1iti n LEU 97 Ca -0.02 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 1iti n LEU 97 Cb 0.05 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 1iti n LEU 97 CO 0.04 -0.08 0.00 0.00 -0.00 0.00 0.00 177.39 177.35 1iti n ALA 98 N -1.07 0.00 -1.12 1.47 0.00 -1.14 -4.94 120.51 113.71 1iti n ALA 98 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1iti n ALA 98 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 2.00 0.69 3.80 0.00 0.00 -1.16 -5.00 105.19 105.52 1iti n GLY 99 Ca 0.00 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.93 4.54 -0.00 0.99 1.43 -1.26 -5.01 118.68 118.43 1iti s LEU 100 Ca 0.00 1.42 -0.00 0.00 -1.03 0.00 0.00 54.13 54.52 1iti s LEU 100 Cb 0.00 -3.12 -0.00 0.00 0.03 0.00 0.00 46.19 43.10 1iti s LEU 100 CO 0.00 0.23 -0.00 0.59 0.23 0.00 0.00 176.35 177.39 1iti n ASN 101 N 1.57 0.04 -4.72 2.29 5.03 -1.26 -4.89 115.26 113.32 1iti n ASN 101 Ca -0.08 0.24 -0.39 0.00 0.87 0.00 0.00 54.58 55.22 1iti n ASN 101 Cb 0.50 -0.51 -0.05 0.00 -1.02 0.00 0.00 39.78 38.70 1iti n ASN 101 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1iti s SER 102 N -3.60 6.88 -0.44 6.41 0.15 -1.26 -4.96 113.70 116.88 1iti s SER 102 Ca -0.00 1.06 0.04 0.00 0.70 0.00 0.00 55.95 57.75 1iti s SER 102 Cb 0.00 -2.37 0.26 0.00 -1.71 0.00 0.00 66.02 62.21 1iti s SER 102 CO 0.01 -0.07 1.03 0.00 1.20 0.00 0.00 173.24 175.41 1iti s PRO 104 N 0.47 3.05 0.05 0.00 0.05 -1.26 -4.90 135.00 132.45 1iti s PRO 104 Ca 0.29 2.00 -0.13 0.00 0.05 0.00 0.00 61.00 63.20 1iti s PRO 104 Cb 0.24 -2.08 -0.06 0.00 0.05 0.00 0.00 34.50 32.64 1iti s PRO 104 CO -0.18 -1.19 0.43 0.54 0.05 0.00 0.00 177.00 176.65 1iti s VAL 105 N -1.45 5.02 0.00 -0.36 0.11 -1.26 -5.01 120.40 117.44 1iti s VAL 105 Ca 0.75 0.72 0.00 0.00 -2.93 0.00 0.00 61.98 60.52 1iti s VAL 105 Cb -0.35 -3.70 0.00 0.00 -1.53 0.00 0.00 36.38 30.80 1iti s VAL 105 CO 0.39 0.44 0.00 0.29 -3.33 0.00 0.00 175.10 172.89 1iti n LYS 106 N 1.38 0.00 -2.32 1.54 5.02 -1.26 -5.14 118.16 117.38 1iti n LYS 106 Ca -0.11 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.15 1iti n LYS 106 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.52 1iti n LYS 106 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1iti n GLU 107 N 0.00 0.11 -3.34 1.97 -0.58 -1.26 -5.18 120.64 112.35 1iti n GLU 107 Ca 0.00 -0.65 0.00 0.00 -0.42 0.00 0.00 57.16 56.09 1iti n GLU 107 Cb 0.00 0.56 0.00 0.00 -0.57 0.00 0.00 31.44 31.43 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 -2.53 0.00 -1.00 0.62 0.00 -1.26 -4.83 120.51 111.51 1iti n ALA 108 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1iti n ALA 108 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 1.03 0.00 -3.61 0.00 9.92 -1.26 -4.86 116.55 117.77 1iti n ASP 109 Ca 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.11 1iti n ASP 109 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 1iti n ASP 109 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1iti s GLN 110 N 0.00 0.94 0.05 -1.24 -0.21 -1.26 -4.36 119.66 113.58 1iti s GLN 110 Ca 0.00 -0.03 -0.11 0.00 0.02 0.00 0.00 55.36 55.24 1iti s GLN 110 Cb 0.00 0.43 0.01 0.00 1.00 0.00 0.00 33.01 34.45 1iti s GLN 110 CO 0.00 -0.30 0.24 -1.54 -2.12 0.00 0.00 175.29 171.57 1iti s SER 111 N -1.48 -0.01 0.08 5.90 1.04 -0.55 -4.73 113.70 113.96 1iti s SER 111 Ca -0.10 -0.36 -0.23 0.00 0.48 0.00 0.00 55.95 55.74 1iti s SER 111 Cb -0.02 0.33 -0.07 0.00 0.10 0.00 0.00 66.02 66.36 1iti s SER 111 CO 0.05 -0.62 0.70 0.42 0.98 0.00 0.00 173.24 174.77 1iti s THR 112 N -2.84 4.64 0.54 2.02 -4.23 -1.26 0.15 115.64 114.66 1iti s THR 112 Ca -0.03 1.50 0.37 0.00 -1.18 0.00 0.00 61.69 62.35 1iti s THR 112 Cb 0.00 -4.05 0.56 0.00 1.34 0.00 0.00 72.50 70.36 1iti s THR 112 CO -0.05 0.47 1.78 0.25 -0.54 0.00 0.00 174.62 176.53 1iti h LEU 113 N 4.95 0.03 0.04 4.79 5.85 -1.68 0.27 115.31 129.55 1iti h LEU 113 Ca -0.46 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 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 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.68 1iti h GLU 114 N 0.02 -0.05 -0.44 1.25 4.81 -1.91 -2.43 114.58 115.84 1iti h GLU 114 Ca 0.60 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.91 1iti h GLU 114 Cb 2.35 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 31.67 1iti h GLU 114 CO -0.03 -0.03 -0.02 -0.91 -0.73 0.00 0.00 179.01 177.29 1iti h ASN 115 N -0.09 -0.22 -0.88 1.04 2.35 -1.79 0.02 115.58 116.02 1iti h ASN 115 Ca -0.01 0.11 0.22 0.00 -0.55 0.00 0.00 56.30 56.08 1iti h ASN 115 Cb 0.04 0.20 -0.13 0.00 0.05 0.00 0.00 38.32 38.48 1iti h ASN 115 CO 0.01 -0.07 0.33 0.15 -1.65 0.00 0.00 177.43 176.20 1iti h PHE 116 N 0.09 0.53 -0.04 1.19 3.04 -0.60 0.84 116.94 122.00 1iti h PHE 116 Ca 0.22 0.04 -0.10 0.00 3.98 0.00 0.00 57.97 62.11 1iti h PHE 116 Cb 0.32 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 1iti h PHE 116 CO -0.30 -0.11 -0.43 -0.07 -2.02 0.00 0.00 178.31 175.38 1iti h LEU 117 N 0.32 0.10 0.59 0.59 3.38 -0.50 -1.70 115.31 118.09 1iti h LEU 117 Ca 0.55 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.45 1iti h LEU 117 Cb 1.07 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.80 1iti h LEU 117 CO -0.57 0.52 -0.28 -0.08 0.09 0.00 0.00 178.44 178.12 1iti h GLU 118 N 0.08 -0.76 -0.75 1.13 4.57 0.15 0.18 114.58 119.18 1iti h GLU 118 Ca 0.01 0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.32 1iti h GLU 118 Cb 0.79 0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 29.50 1iti h GLU 118 CO 0.06 -0.47 0.49 0.07 -1.18 0.00 0.00 179.01 177.98 1iti h ARG 119 N -1.16 0.71 0.57 1.92 0.11 -1.19 -0.28 114.38 115.06 1iti h ARG 119 Ca -0.08 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 59.93 1iti h ARG 119 Cb 0.63 -0.16 0.01 0.00 1.11 0.00 0.00 29.97 31.56 1iti h ARG 119 CO 0.13 0.47 -0.27 1.25 0.10 0.00 0.00 179.97 181.65 1iti h LEU 120 N 0.73 -0.65 -0.80 0.08 6.46 -1.24 -0.43 115.31 119.47 1iti h LEU 120 Ca 0.34 0.01 0.18 0.00 -0.12 0.00 0.00 57.88 58.28 1iti h LEU 120 Cb 0.35 0.17 -0.11 0.00 -0.73 0.00 0.00 40.66 40.34 1iti h LEU 120 CO -0.12 -0.24 0.27 0.50 -0.62 0.00 0.00 178.44 178.23 1iti h LYS 121 N -1.19 0.33 0.00 1.25 3.64 -0.36 -0.12 116.57 120.12 1iti h LYS 121 Ca -0.08 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1iti h LYS 121 Cb 0.60 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1iti h LYS 121 CO 0.13 0.22 -0.00 1.15 -2.27 0.00 0.00 179.45 178.68 1iti h THR 122 N 0.34 1.11 -0.71 1.00 2.02 -1.03 -2.69 112.91 112.95 1iti h THR 122 Ca 0.47 -0.32 0.15 0.00 0.77 0.00 0.00 66.41 67.47 1iti h THR 122 Cb 0.83 1.33 -0.10 0.00 -1.74 0.00 0.00 68.15 68.46 1iti h THR 122 CO -0.51 0.08 0.19 0.40 0.37 0.00 0.00 175.52 176.06 1iti h ILE 123 N -0.14 0.57 0.08 3.11 2.04 0.70 -1.04 117.51 122.83 1iti h ILE 123 Ca -0.00 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1iti h ILE 123 Cb 0.14 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 1iti h ILE 123 CO 0.00 0.06 -0.29 0.24 0.00 0.00 0.00 178.15 178.16 1iti h MET 124 N 0.30 -0.47 -0.49 2.37 2.86 -0.94 0.12 114.93 118.69 1iti h MET 124 Ca 0.39 0.03 0.14 0.00 -2.06 0.00 0.00 59.70 58.21 1iti h MET 124 Cb 0.64 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1iti h MET 124 CO -0.46 -0.31 0.42 -0.09 1.06 0.00 0.00 176.91 177.52 1iti h ARG 125 N -0.48 0.00 0.18 1.72 9.65 -0.92 0.64 114.38 125.17 1iti h ARG 125 Ca 0.04 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1iti h ARG 125 Cb 0.53 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1iti h ARG 125 CO -0.19 0.00 -0.09 1.49 2.80 0.00 0.00 179.97 183.98 1iti h GLU 126 N 0.00 -0.24 0.00 0.20 4.57 0.14 -3.18 114.58 116.07 1iti h GLU 126 Ca 0.23 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1iti h GLU 126 Cb 1.06 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1iti h GLU 126 CO -0.00 0.15 0.00 0.87 -1.18 0.00 0.00 179.01 178.85 1iti h LYS 127 N -0.90 0.00 0.00 1.92 1.57 -0.33 -2.76 116.57 116.07 1iti h LYS 127 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1iti h LYS 127 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1iti h LYS 127 CO 0.04 0.00 0.00 0.98 -0.57 0.00 0.00 179.45 179.90 1iti n TYR 128 N -2.52 0.00 -2.29 -1.35 9.36 0.22 -4.67 117.16 115.91 1iti n TYR 128 Ca 0.02 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.81 1iti n TYR 128 Cb 0.27 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.96 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 -1.64 6.29 0.00 2.98 0.15 -1.05 -4.61 113.70 115.82 1iti s SER 129 Ca 0.03 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1iti s SER 129 Cb 0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1iti s SER 129 CO 0.02 -1.45 0.00 2.29 1.20 0.00 0.00 173.24 175.30 1iti n LYS 130 N 8.08 0.00 -0.14 5.44 2.85 -1.26 -4.94 118.16 128.18 1iti n LYS 130 Ca 0.18 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.51 1iti n LYS 130 Cb 0.48 0.00 0.23 0.00 -0.65 0.00 0.00 35.03 35.09 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 0.40 0.00 0.00 0.00 7.64 -1.26 -5.09 113.62 115.32 1iti n SER 132 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1iti n SER 132 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1iti n SER 132 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83