#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 6.86 -1.53 4.31 0.00 -1.26 -4.58 120.51 124.31 1iti n ALA 2 Ca 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 53.44 49.70 1iti n ALA 2 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 16.70 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 1.91 0.00 0.00 0.00 2.13 -1.26 -5.06 120.64 118.35 1iti n GLU 3 Ca 0.62 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.44 1iti n GLU 3 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.03 1iti n GLU 3 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iti n ALA 4 N -3.00 0.19 -2.04 4.31 0.00 -1.26 -5.04 120.51 113.67 1iti n ALA 4 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1iti n ALA 4 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.88 1.72 -0.86 0.00 -3.43 -1.26 -4.90 115.29 105.67 1iti s HIS 5 Ca 0.00 0.73 -0.18 0.00 -0.80 0.00 0.00 55.06 54.81 1iti s HIS 5 Cb 0.00 -4.07 0.15 0.00 -1.43 0.00 0.00 32.58 27.23 1iti s HIS 5 CO 0.00 -2.08 0.98 0.15 -2.00 0.00 0.00 174.74 171.79 1iti s LYS 6 N 7.04 3.53 0.47 -0.38 1.02 -1.26 -3.90 119.74 126.26 1iti s LYS 6 Ca 0.68 -1.89 -0.21 0.00 0.02 0.00 0.00 55.97 54.57 1iti s LYS 6 Cb -0.10 -4.69 -0.09 0.00 -0.52 0.00 0.00 37.83 32.43 1iti s LYS 6 CO 0.12 -1.61 1.04 0.00 -0.92 0.00 0.00 175.35 173.97 1iti s ASP 8 N -1.92 7.07 0.00 0.00 -1.08 -1.26 -4.92 116.67 114.55 1iti s ASP 8 Ca 0.66 1.29 0.27 0.00 -0.52 0.00 0.00 52.55 54.25 1iti s ASP 8 Cb -0.17 -2.45 0.88 0.00 -1.46 0.00 0.00 42.92 39.73 1iti s ASP 8 CO 0.21 -0.16 1.68 0.00 0.52 0.00 0.00 175.17 177.41 1iti n ILE 9 N 3.86 0.00 0.12 4.11 3.06 -1.26 -4.05 119.36 125.20 1iti n ILE 9 Ca 0.01 -0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.18 1iti n ILE 9 Cb 0.51 -0.14 -0.04 0.00 0.54 0.00 0.00 39.64 40.52 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 -0.25 9.51 2.02 -1.99 -2.74 112.91 119.62 1iti h THR 10 Ca 0.00 -0.78 0.07 0.00 0.77 0.00 0.00 66.41 66.47 1iti h THR 10 Cb 0.50 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1iti h THR 10 CO 0.00 0.04 0.67 -0.07 0.37 0.00 0.00 175.52 176.53 1iti h LEU 11 N -1.07 0.00 0.02 2.58 3.38 -1.97 0.13 115.31 118.38 1iti h LEU 11 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1iti h LEU 11 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1iti h LEU 11 CO 0.06 0.00 -0.01 -0.61 0.09 0.00 0.00 178.44 177.97 1iti h GLN 12 N 0.00 -0.03 -0.33 1.13 5.75 -1.69 -2.76 115.11 117.18 1iti h GLN 12 Ca 0.12 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.72 1iti h GLN 12 Cb 1.46 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.00 1iti h GLN 12 CO -0.00 -0.02 0.38 1.05 -2.65 0.00 0.00 178.83 177.59 1iti h GLU 13 N -0.28 0.00 0.46 1.69 4.11 -1.04 -1.83 114.58 117.69 1iti h GLU 13 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 1iti h GLU 13 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1iti h GLU 13 CO 0.00 0.00 -0.22 0.82 0.07 0.00 0.00 179.01 179.68 1iti h ILE 14 N 0.00 0.27 -0.79 -1.06 2.04 -0.86 -1.37 117.51 115.74 1iti h ILE 14 Ca 0.16 -0.55 0.19 0.00 1.00 0.00 0.00 64.86 65.65 1iti h ILE 14 Cb 0.91 0.41 -0.12 0.00 -0.74 0.00 0.00 36.82 37.28 1iti h ILE 14 CO -0.00 0.05 0.17 0.40 0.00 0.00 0.00 178.15 178.77 1iti h ILE 15 N -1.05 0.42 -0.47 -0.67 2.04 -1.03 0.58 117.51 117.34 1iti h ILE 15 Ca -0.06 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 1iti h ILE 15 Cb 0.56 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1iti h ILE 15 CO 0.10 0.04 0.08 0.11 0.00 0.00 0.00 178.15 178.49 1iti h LYS 16 N 0.22 0.72 0.13 2.37 1.57 -1.46 -2.64 116.57 117.48 1iti h LYS 16 Ca 0.46 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1iti h LYS 16 Cb 0.85 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1iti h LYS 16 CO -0.59 0.68 -0.06 1.15 -0.57 0.00 0.00 179.45 180.06 1iti h THR 17 N 0.69 0.97 -0.91 -0.16 2.02 0.13 -2.39 112.91 113.26 1iti h THR 17 Ca 0.15 -0.41 0.16 0.00 0.77 0.00 0.00 66.41 67.08 1iti h THR 17 Cb 0.31 1.23 -0.10 0.00 -1.74 0.00 0.00 68.15 67.85 1iti h THR 17 CO 0.00 0.10 0.50 -0.07 0.37 0.00 0.00 175.52 176.42 1iti h LEU 18 N -0.37 0.63 -1.15 2.58 3.38 -0.95 0.21 115.31 119.64 1iti h LEU 18 Ca -0.02 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1iti h LEU 18 Cb 0.30 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1iti h LEU 18 CO 0.03 0.24 0.40 0.78 0.09 0.00 0.00 178.44 179.98 1iti h ASN 19 N 0.68 0.88 0.06 -0.43 2.35 -1.18 0.53 115.58 118.46 1iti h ASN 19 Ca 0.51 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 56.11 1iti h ASN 19 Cb 0.74 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1iti h ASN 19 CO -0.37 0.70 -0.25 0.28 -1.65 0.00 0.00 177.43 176.14 1iti h SER 20 N 1.00 0.32 0.96 5.81 0.02 -0.10 -2.62 113.55 118.93 1iti h SER 20 Ca 0.25 -0.10 -0.20 0.00 -0.84 0.00 0.00 61.79 60.90 1iti h SER 20 Cb 0.02 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1iti h SER 20 CO -0.04 0.58 -0.96 -0.07 -1.14 0.00 0.00 176.83 175.19 1iti h LEU 21 N 0.29 0.00 0.41 5.07 3.38 -0.43 -3.31 115.31 120.73 1iti h LEU 21 Ca 0.05 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1iti h LEU 21 Cb 0.60 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1iti h LEU 21 CO 0.04 0.96 -0.20 0.71 0.09 0.00 0.00 178.44 180.05 1iti h THR 22 N 0.00 0.59 -0.94 0.22 1.35 -0.58 -2.16 112.91 111.39 1iti h THR 22 Ca -0.01 -0.27 0.27 0.00 -0.55 0.00 0.00 66.41 65.85 1iti h THR 22 Cb 1.70 0.72 -0.04 0.00 -1.73 0.00 0.00 68.15 68.81 1iti h THR 22 CO 0.13 0.05 0.78 1.05 -0.25 0.00 0.00 175.52 177.28 1iti h GLU 23 N -0.71 0.00 -6.92 4.72 4.11 -1.59 -3.39 114.58 110.80 1iti h GLU 23 Ca -0.06 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.91 1iti h GLU 23 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1iti h GLU 23 CO 0.09 0.00 0.32 -0.65 0.07 0.00 0.00 179.01 178.84 1iti s GLN 24 N -4.79 4.41 -0.43 1.06 -1.52 -0.81 -5.03 119.66 112.55 1iti s GLN 24 Ca -0.04 1.19 0.04 0.00 -1.95 0.00 0.00 55.36 54.60 1iti s GLN 24 Cb 0.20 -2.57 0.17 0.00 -0.22 0.00 0.00 33.01 30.59 1iti s GLN 24 CO 0.69 0.17 0.45 0.15 -0.25 0.00 0.00 175.29 176.49 1iti s LYS 25 N -2.50 0.87 0.65 2.91 1.02 -1.26 -4.98 119.74 116.45 1iti s LYS 25 Ca 0.54 -1.48 0.01 0.00 0.02 0.00 0.00 55.97 55.06 1iti s LYS 25 Cb -0.15 -0.87 0.09 0.00 -0.52 0.00 0.00 37.83 36.38 1iti s LYS 25 CO 0.19 -1.32 0.90 0.95 -0.92 0.00 0.00 175.35 175.15 1iti s THR 26 N 0.67 2.34 0.35 2.17 -4.23 -1.26 -4.96 115.64 110.72 1iti s THR 26 Ca 0.27 -0.64 0.33 0.00 -1.18 0.00 0.00 61.69 60.47 1iti s THR 26 Cb -0.03 -2.70 0.36 0.00 1.34 0.00 0.00 72.50 71.46 1iti s THR 26 CO -0.11 0.00 2.09 0.17 -0.54 0.00 0.00 174.62 176.24 1iti h LEU 27 N -0.25 0.00 0.00 4.79 8.10 -1.98 -2.04 115.31 123.93 1iti h LEU 27 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.61 1iti h LEU 27 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.50 1iti h LEU 27 CO 0.45 0.06 0.00 0.00 -4.11 0.00 0.00 178.44 174.84 1iti n THR 29 N -0.85 0.13 1.33 0.00 -2.24 -0.77 -3.75 114.28 108.13 1iti n THR 29 Ca 0.04 -0.13 0.03 0.00 -2.27 0.00 0.00 64.05 61.72 1iti n THR 29 Cb 0.02 0.21 0.08 0.00 -2.10 0.00 0.00 70.33 68.54 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 -1.76 1.48 -3.46 -0.78 1.02 -0.35 -4.02 120.64 112.76 1iti n GLU 30 Ca 0.04 -0.67 -0.38 0.00 -0.02 0.00 0.00 57.16 56.13 1iti n GLU 30 Cb 0.39 -1.19 -0.06 0.00 -0.02 0.00 0.00 31.44 30.55 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 -0.97 4.41 -0.39 -4.62 1.43 -1.25 -5.00 118.68 112.30 1iti s LEU 31 Ca 0.12 0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 53.93 1iti s LEU 31 Cb 0.07 -2.60 0.01 0.00 0.03 0.00 0.00 46.19 43.70 1iti s LEU 31 CO 0.08 0.23 0.56 0.42 0.23 0.00 0.00 176.35 177.87 1iti s THR 32 N -0.54 4.94 0.57 5.49 -4.23 -1.26 -2.89 115.64 117.73 1iti s THR 32 Ca 0.24 0.22 -0.02 0.00 -1.18 0.00 0.00 61.69 60.95 1iti s THR 32 Cb -0.16 -4.07 0.12 0.00 1.34 0.00 0.00 72.50 69.73 1iti s THR 32 CO 0.12 -0.38 0.78 1.33 -0.54 0.00 0.00 174.62 175.93 1iti n VAL 33 N 5.59 0.00 -3.19 2.29 0.24 0.16 -4.73 118.33 118.69 1iti n VAL 33 Ca -0.04 -1.13 -0.39 0.00 -2.04 0.00 0.00 64.34 60.74 1iti n VAL 33 Cb 0.48 -1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 31.71 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 -2.37 4.76 -0.12 3.34 2.01 -1.26 -0.64 115.64 121.36 1iti s THR 34 Ca 0.51 1.32 -0.21 0.00 0.31 0.00 0.00 61.69 63.62 1iti s THR 34 Cb -0.03 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 1iti s THR 34 CO 0.34 0.48 0.61 -0.62 -0.69 0.00 0.00 174.62 174.74 1iti s ASP 35 N -0.66 6.79 -0.09 3.53 -1.08 -1.26 -4.76 116.67 119.15 1iti s ASP 35 Ca 0.31 0.96 0.13 0.00 -0.52 0.00 0.00 52.55 53.43 1iti s ASP 35 Cb -0.19 -2.35 -0.24 0.00 -1.46 0.00 0.00 42.92 38.68 1iti s ASP 35 CO 0.19 -0.13 0.49 2.30 0.52 0.00 0.00 175.17 178.55 1iti n ILE 36 N 4.03 1.56 1.15 4.11 -5.35 -1.26 -3.86 119.36 119.74 1iti n ILE 36 Ca -0.03 -0.80 0.11 0.00 -0.27 0.00 0.00 62.75 61.76 1iti n ILE 36 Cb 0.51 -0.92 0.60 0.00 -1.74 0.00 0.00 39.64 38.08 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 -2.99 0.00 0.36 4.28 3.72 -1.26 -2.90 117.46 118.66 1iti n PHE 37 Ca -0.22 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.20 1iti n PHE 37 Cb 1.08 -0.24 0.13 0.00 -0.94 0.00 0.00 39.48 39.52 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 -1.24 3.00 -1.76 4.37 0.00 -1.25 -3.73 120.51 119.90 1iti n ALA 38 Ca 0.12 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1iti n ALA 38 Cb 0.16 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.20 1.51 -2.67 0.00 0.00 -1.14 -4.72 120.51 113.69 1iti n ALA 39 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.16 1iti n ALA 39 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 6.67 0.00 0.00 0.01 -1.24 -4.94 113.70 114.20 1iti s SER 40 Ca 0.00 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.06 1iti s SER 40 Cb 0.00 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1iti s SER 40 CO 0.00 0.09 0.00 2.29 0.41 0.00 0.00 173.24 176.03 1iti n LYS 41 N 3.26 0.00 -0.02 12.44 0.00 -1.26 -4.89 118.16 127.69 1iti n LYS 41 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 1iti n LYS 41 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.56 1iti n LYS 41 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1iti n ASP 42 N 0.00 0.53 -4.86 -5.58 5.75 -1.26 -4.83 116.55 106.30 1iti n ASP 42 Ca 0.00 -2.01 -0.32 0.00 -0.01 0.00 0.00 54.79 52.45 1iti n ASP 42 Cb 0.00 -0.22 -0.05 0.00 -1.03 0.00 0.00 41.12 39.82 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1iti s THR 43 N -1.59 4.74 0.66 2.12 -4.23 -1.26 -5.08 115.64 111.00 1iti s THR 43 Ca 0.01 0.80 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 1iti s THR 43 Cb 0.01 -3.64 0.10 0.00 1.34 0.00 0.00 72.50 70.30 1iti s THR 43 CO 0.01 -0.25 0.92 0.42 -0.54 0.00 0.00 174.62 175.18 1iti s THR 44 N -2.06 2.30 0.49 3.99 -4.23 -1.26 -4.96 115.64 109.91 1iti s THR 44 Ca 0.53 -0.62 0.16 0.00 -1.18 0.00 0.00 61.69 60.58 1iti s THR 44 Cb -0.10 -2.68 0.24 0.00 1.34 0.00 0.00 72.50 71.30 1iti s THR 44 CO 0.21 0.00 2.08 -0.33 -0.54 0.00 0.00 174.62 176.04 1iti h GLU 45 N -0.32 0.00 0.54 3.99 5.08 -1.99 -2.73 114.58 119.14 1iti h GLU 45 Ca -0.38 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 1iti h GLU 45 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1iti h GLU 45 CO 0.44 0.08 -0.27 0.87 -1.00 0.00 0.00 179.01 179.14 1iti h LYS 46 N 0.00 -0.71 -0.01 2.33 1.57 -2.00 -0.87 116.57 116.87 1iti h LYS 46 Ca -0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1iti h LYS 46 Cb 0.15 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1iti h LYS 46 CO 0.01 -0.48 0.32 0.93 -0.57 0.00 0.00 179.45 179.67 1iti h GLU 47 N -0.74 0.00 0.19 3.15 4.39 -1.92 -1.63 114.58 118.02 1iti h GLU 47 Ca -0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 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 0.12 0.00 -0.09 1.15 -1.16 0.00 0.00 179.01 179.02 1iti h THR 48 N 0.00 0.50 -0.18 1.13 2.02 -1.00 -2.75 112.91 112.62 1iti h THR 48 Ca 0.01 -1.03 0.05 0.00 0.77 0.00 0.00 66.41 66.21 1iti h THR 48 Cb 0.65 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1iti h THR 48 CO -0.00 0.14 0.20 -0.26 0.37 0.00 0.00 175.52 175.97 1iti h PHE 49 N -0.98 0.00 0.27 3.16 0.04 -0.26 -1.37 116.94 117.80 1iti h PHE 49 Ca -0.03 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1iti h PHE 49 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1iti h PHE 49 CO 0.06 0.00 -0.13 0.00 -0.60 0.00 0.00 178.31 177.64 1iti h ARG 51 N -0.84 0.72 -0.93 0.00 3.08 -1.09 -0.70 114.38 114.61 1iti h ARG 51 Ca -0.04 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.08 1iti h ARG 51 Cb 0.51 -0.16 -0.08 0.00 0.08 0.00 0.00 29.97 30.32 1iti h ARG 51 CO 0.06 0.48 0.57 0.00 -1.07 0.00 0.00 179.97 180.01 1iti h ALA 52 N 1.25 1.37 -0.24 0.04 0.00 -1.30 -1.54 119.26 118.85 1iti h ALA 52 Ca 0.23 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1iti h ALA 52 Cb -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1iti h ALA 52 CO -0.08 0.19 -0.25 0.00 0.00 0.00 0.00 179.25 179.10 1iti h ALA 53 N 1.50 0.36 -0.73 0.00 0.00 -0.74 -2.75 119.26 116.89 1iti h ALA 53 Ca 0.46 -0.38 0.16 0.00 0.00 0.00 0.00 54.91 55.14 1iti h ALA 53 Cb 0.42 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.03 1iti h ALA 53 CO -0.26 0.33 0.18 1.15 0.00 0.00 0.00 179.25 180.66 1iti h THR 54 N 0.30 0.53 0.73 0.00 2.02 -0.17 0.29 112.91 116.61 1iti h THR 54 Ca 0.04 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1iti h THR 54 Cb 0.81 0.23 0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1iti h THR 54 CO 0.06 0.05 -0.35 0.58 0.37 0.00 0.00 175.52 176.23 1iti h VAL 55 N 0.28 0.16 -1.22 3.16 2.07 -1.34 -2.37 116.25 116.99 1iti h VAL 55 Ca 0.41 -0.20 0.35 0.00 0.82 0.00 0.00 66.70 68.08 1iti h VAL 55 Cb 0.69 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1iti h VAL 55 CO -0.50 0.01 0.86 -0.07 0.02 0.00 0.00 177.57 177.90 1iti h LEU 56 N -1.14 0.08 0.43 2.57 3.38 -1.07 -0.34 115.31 119.21 1iti h LEU 56 Ca -0.10 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1iti h LEU 56 Cb 0.77 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1iti h LEU 56 CO 0.16 0.01 -0.21 -0.09 0.09 0.00 0.00 178.44 178.40 1iti h ARG 57 N 0.06 -0.55 0.00 1.13 2.43 -0.46 -2.47 114.38 114.53 1iti h ARG 57 Ca 0.60 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.81 1iti h ARG 57 Cb 2.26 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.93 1iti h ARG 57 CO -0.07 -0.37 0.00 0.00 -1.51 0.00 0.00 179.97 178.02 1iti n GLN 58 N -3.94 0.10 0.00 0.20 10.64 -0.56 -1.50 117.38 122.32 1iti n GLN 58 Ca -0.07 0.12 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 1iti n GLN 58 Cb 0.23 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.11 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 -1.14 0.00 1.27 2.61 7.35 -0.25 -2.89 117.46 124.41 1iti n PHE 59 Ca 0.03 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.83 1iti n PHE 59 Cb 0.02 -0.32 0.62 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 -1.91 0.00 -0.06 -5.13 0.18 -1.02 -2.55 117.16 106.67 1iti n TYR 60 Ca 0.00 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.59 1iti n TYR 60 Cb 0.00 -0.11 -0.13 0.00 -0.38 0.00 0.00 39.34 38.72 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 -1.11 1.98 -0.57 9.48 7.64 -0.56 -2.54 113.62 127.94 1iti n SER 61 Ca 0.14 0.04 0.11 0.00 1.01 0.00 0.00 58.87 60.17 1iti n SER 61 Cb 0.11 -0.59 0.37 0.00 -1.01 0.00 0.00 64.21 63.09 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 -3.35 0.22 0.00 1.43 -0.00 -1.14 -4.17 115.22 108.20 1iti n HIS 62 Ca -0.38 -0.11 0.00 0.00 0.46 0.00 0.00 57.72 57.69 1iti n HIS 62 Cb 1.02 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.89 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 0.36 0.00 -0.36 1.57 8.25 -1.06 -4.25 115.22 119.74 1iti n HIS 63 Ca 0.16 0.00 0.30 0.00 -0.26 0.00 0.00 57.72 57.92 1iti n HIS 63 Cb 0.34 0.00 0.60 0.00 1.12 0.00 0.00 29.99 32.05 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 0.00 0.22 0.00 -0.41 4.81 -1.66 1.00 114.58 118.54 1iti h GLU 64 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1iti h GLU 64 Cb 1.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1iti h GLU 64 CO 0.00 0.14 -1.06 1.63 -0.73 0.00 0.00 179.01 178.99 1iti n LYS 65 N -4.51 0.52 -2.99 1.92 5.02 -1.26 -4.88 118.16 111.97 1iti n LYS 65 Ca 0.28 0.07 -0.34 0.00 -2.02 0.00 0.00 58.31 56.30 1iti n LYS 65 Cb 1.11 -1.74 -0.06 0.00 -0.02 0.00 0.00 35.03 34.32 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 -4.91 6.99 -0.45 4.39 -1.08 0.34 -4.95 116.67 116.99 1iti s ASP 66 Ca 0.00 1.51 -0.02 0.00 -0.52 0.00 0.00 52.55 53.52 1iti s ASP 66 Cb 0.11 -2.46 0.28 0.00 -1.46 0.00 0.00 42.92 39.39 1iti s ASP 66 CO 0.80 -0.15 2.09 0.35 0.52 0.00 0.00 175.17 178.77 1iti n THR 67 N 0.04 3.11 -0.10 1.71 -2.24 -1.26 -4.39 114.28 111.14 1iti n THR 67 Ca 0.02 -2.23 -0.18 0.00 -2.27 0.00 0.00 64.05 59.39 1iti n THR 67 Cb 0.52 -1.30 -0.08 0.00 -2.10 0.00 0.00 70.33 67.37 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 -0.02 0.54 -0.19 -0.78 5.12 -1.26 -4.25 116.66 115.82 1iti n ARG 68 Ca 0.42 0.43 0.04 0.00 -1.93 0.00 0.00 57.85 56.81 1iti n ARG 68 Cb 0.59 -1.62 0.12 0.00 -1.16 0.00 0.00 32.46 30.39 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 0.24 1.98 0.00 0.00 4.77 -1.26 -4.85 117.00 117.88 1iti n LEU 70 Ca 0.09 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1iti n LEU 70 Cb 0.33 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 1iti n LEU 70 CO 0.08 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1iti n GLY 71 N 1.46 0.55 0.00 -0.72 0.00 -1.25 -4.27 105.19 100.96 1iti n GLY 71 Ca -0.38 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 8.93 0.93 -1.18 4.61 0.00 -1.26 -5.03 120.51 127.51 1iti n ALA 72 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1iti n ALA 72 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.03 1.28 0.17 0.00 -2.24 -1.26 -4.87 114.28 106.33 1iti n THR 73 Ca 0.00 -0.38 0.10 0.00 -2.27 0.00 0.00 64.05 61.49 1iti n THR 73 Cb 0.00 -0.62 0.10 0.00 -2.10 0.00 0.00 70.33 67.71 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 -0.55 0.83 0.04 6.98 0.00 -1.99 -3.07 119.26 121.50 1iti h ALA 74 Ca -0.45 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.11 1iti h ALA 74 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1iti h ALA 74 CO 0.40 0.14 -1.03 -0.56 0.00 0.00 0.00 179.25 178.20 1iti h GLN 75 N 0.00 0.38 0.00 0.00 3.07 -1.99 -3.20 115.11 113.38 1iti h GLN 75 Ca -0.01 -0.47 -0.13 0.00 0.09 0.00 0.00 58.65 58.13 1iti h GLN 75 Cb 1.09 0.15 -0.02 0.00 0.08 0.00 0.00 27.48 28.77 1iti h GLN 75 CO 0.01 1.15 -0.63 0.37 0.09 0.00 0.00 178.83 179.82 1iti h GLN 76 N 0.19 0.00 0.20 0.06 5.75 -1.88 -2.56 115.11 116.87 1iti h GLN 76 Ca -0.10 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 1iti h GLN 76 Cb 1.69 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.24 1iti h GLN 76 CO 0.18 0.63 -0.11 0.35 -2.65 0.00 0.00 178.83 177.23 1iti h PHE 77 N 0.00 -0.28 0.32 3.99 3.57 -1.53 0.07 116.94 123.08 1iti h PHE 77 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1iti h PHE 77 Cb 1.28 0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.12 1iti h PHE 77 CO 0.00 -0.17 -0.15 1.25 -2.23 0.00 0.00 178.31 177.01 1iti h HIS 78 N -0.28 -0.40 -1.05 0.41 2.76 -1.60 -2.60 115.15 112.38 1iti h HIS 78 Ca -0.02 -0.01 0.31 0.00 -2.20 0.00 0.00 60.37 58.44 1iti h HIS 78 Cb 0.23 0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 1iti h HIS 78 CO -0.08 -0.06 0.86 -0.09 -1.30 0.00 0.00 177.93 177.27 1iti h ARG 79 N -0.91 0.00 0.06 5.26 2.43 -1.46 0.12 114.38 119.87 1iti h ARG 79 Ca -0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1iti h ARG 79 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1iti h ARG 79 CO 0.07 0.00 -0.03 1.25 -1.51 0.00 0.00 179.97 179.75 1iti h HIS 80 N 0.00 -0.07 -0.19 2.20 2.76 -0.77 -3.03 115.15 116.04 1iti h HIS 80 Ca 0.50 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.72 1iti h HIS 80 Cb 2.22 0.02 -0.05 0.00 1.55 0.00 0.00 27.41 31.15 1iti h HIS 80 CO 0.00 0.52 -0.14 0.87 -1.30 0.00 0.00 177.93 177.88 1iti h LYS 81 N -0.78 -0.13 -1.01 5.26 1.79 -0.43 -0.18 116.57 121.09 1iti h LYS 81 Ca -0.01 0.01 0.24 0.00 -2.18 0.00 0.00 60.65 58.71 1iti h LYS 81 Cb 0.63 0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 31.19 1iti h LYS 81 CO 0.01 -0.09 0.61 0.37 -1.08 0.00 0.00 179.45 179.27 1iti h GLN 82 N -0.14 0.57 0.67 3.15 4.15 -1.40 -0.85 115.11 121.26 1iti h GLN 82 Ca 0.12 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 1iti h GLN 82 Cb 0.31 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 27.88 1iti h GLN 82 CO -0.28 0.38 -0.32 1.25 -1.93 0.00 0.00 178.83 177.93 1iti h LEU 83 N 0.59 -0.76 -0.84 -2.39 6.46 -0.91 -1.76 115.31 115.70 1iti h LEU 83 Ca 0.62 0.01 0.20 0.00 -0.12 0.00 0.00 57.88 58.60 1iti h LEU 83 Cb 1.21 0.20 -0.13 0.00 -0.73 0.00 0.00 40.66 41.21 1iti h LEU 83 CO -0.43 -0.50 0.26 0.40 -0.62 0.00 0.00 178.44 177.54 1iti h ILE 84 N -0.96 0.43 -0.89 4.05 1.08 -0.71 0.43 117.51 120.95 1iti h ILE 84 Ca -0.09 -0.10 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 1iti h ILE 84 Cb 0.70 0.12 -0.05 0.00 -3.07 0.00 0.00 36.82 34.53 1iti h ILE 84 CO 0.15 0.05 0.59 0.03 -0.69 0.00 0.00 178.15 178.28 1iti h ARG 85 N 0.28 1.15 -0.19 2.37 -0.00 -1.01 0.16 114.38 117.14 1iti h ARG 85 Ca 0.51 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.98 59.90 1iti h ARG 85 Cb 0.95 -0.26 -0.01 0.00 0.00 0.00 0.00 29.97 30.66 1iti h ARG 85 CO -0.57 0.76 0.04 0.74 0.00 0.00 0.00 179.97 180.95 1iti h PHE 86 N 1.19 0.32 -0.49 3.04 0.04 0.68 -1.42 116.94 120.30 1iti h PHE 86 Ca 0.33 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 61.03 1iti h PHE 86 Cb -0.12 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 1iti h PHE 86 CO -0.01 0.44 0.18 -0.07 -0.60 0.00 0.00 178.31 178.25 1iti h LEU 87 N 0.12 0.69 -2.32 1.54 3.38 -0.70 -1.54 115.31 116.48 1iti h LEU 87 Ca 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1iti h LEU 87 Cb 0.28 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1iti h LEU 87 CO 0.00 0.69 -0.03 0.50 0.09 0.00 0.00 178.44 179.68 1iti h LYS 88 N 0.66 0.00 0.00 1.13 3.64 -0.56 0.12 116.57 121.55 1iti h LYS 88 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1iti h LYS 88 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1iti h LYS 88 CO -0.01 0.03 0.00 -2.13 -2.27 0.00 0.00 179.45 175.07 1iti n ARG 89 N -3.34 0.00 -0.09 1.90 0.63 -0.55 -3.47 116.66 111.75 1iti n ARG 89 Ca -0.02 0.46 0.11 0.00 -0.92 0.00 0.00 57.85 57.49 1iti n ARG 89 Cb 0.17 -1.04 0.49 0.00 0.45 0.00 0.00 32.46 32.53 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 0.40 -1.60 6.15 8.10 -1.48 0.12 115.31 127.00 1iti h LEU 90 Ca 0.00 0.01 0.21 0.00 0.11 0.00 0.00 57.88 58.21 1iti h LEU 90 Cb 0.00 -0.07 -0.06 0.00 -0.44 0.00 0.00 40.66 40.08 1iti h LEU 90 CO 0.00 0.24 0.60 -0.78 -4.11 0.00 0.00 178.44 174.39 1iti h ASP 91 N 0.44 0.33 0.50 0.17 3.58 -0.88 0.74 116.42 121.30 1iti h ASP 91 Ca 0.28 0.04 -0.30 0.00 0.42 0.00 0.00 57.03 57.47 1iti h ASP 91 Cb 0.52 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 1iti h ASP 91 CO -0.08 0.13 -1.52 0.03 -2.88 0.00 0.00 179.24 174.91 1iti h ARG 92 N 0.32 0.19 0.29 0.28 2.47 -1.01 -3.25 114.38 113.67 1iti h ARG 92 Ca 0.46 -0.32 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 1iti h ARG 92 Cb 1.27 0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 29.71 1iti h ARG 92 CO -0.15 1.02 -0.18 -0.91 0.56 0.00 0.00 179.97 180.31 1iti h ASN 93 N 0.05 -0.45 0.02 7.04 4.21 -0.53 0.18 115.58 126.11 1iti h ASN 93 Ca -0.23 0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.30 1iti h ASN 93 Cb 1.99 0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 39.32 1iti h ASN 93 CO 0.14 -0.29 -0.03 -0.07 -1.29 0.00 0.00 177.43 175.90 1iti h LEU 94 N -0.45 -0.07 -0.09 1.61 3.38 -1.36 0.91 115.31 119.23 1iti h LEU 94 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1iti h LEU 94 Cb 0.38 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1iti h LEU 94 CO 0.03 -0.03 0.17 1.87 0.09 0.00 0.00 178.44 180.57 1iti n TRP 95 N -2.44 0.05 0.03 1.13 -0.00 -1.22 -2.02 117.44 112.97 1iti n TRP 95 Ca -0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 57.50 57.50 1iti n TRP 95 Cb 0.02 -0.37 -0.01 0.00 -0.00 0.00 0.00 31.31 30.95 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 -0.15 1.14 5.87 0.00 0.19 -3.18 103.07 106.93 1iti h GLY 96 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1iti h GLY 96 CO 0.00 -0.06 0.00 1.47 0.00 0.00 0.00 176.54 177.96 1iti n LEU 97 N -3.85 0.00 0.00 3.11 -0.00 -0.81 -3.11 117.00 112.34 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 0.06 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.40 1iti n LEU 97 CO 0.04 -0.08 0.00 0.00 -0.00 0.00 0.00 177.39 177.36 1iti n ALA 98 N -1.07 0.00 -0.86 1.47 0.00 -1.14 -4.96 120.51 113.95 1iti n ALA 98 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 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 0.52 3.79 0.00 0.00 -1.18 -5.03 105.19 105.46 1iti n GLY 99 Ca 0.00 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 4.56 -0.09 0.99 1.43 -1.26 -5.00 118.68 119.30 1iti s LEU 100 Ca 0.00 1.54 -0.07 0.00 -1.03 0.00 0.00 54.13 54.56 1iti s LEU 100 Cb 0.00 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 1iti s LEU 100 CO 0.00 0.21 -0.14 0.59 0.23 0.00 0.00 176.35 177.24 1iti n ASN 101 N 1.55 1.12 -4.70 2.29 4.13 -1.26 -4.89 115.26 113.50 1iti n ASN 101 Ca -0.07 0.40 -0.39 0.00 1.68 0.00 0.00 54.58 56.21 1iti n ASN 101 Cb 0.49 -0.70 -0.06 0.00 -1.54 0.00 0.00 39.78 37.97 1iti n ASN 101 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1iti s SER 102 N -4.94 6.76 -0.44 6.41 1.04 -1.26 -4.96 113.70 116.31 1iti s SER 102 Ca -0.11 0.92 0.04 0.00 0.48 0.00 0.00 55.95 57.27 1iti s SER 102 Cb 0.02 -2.34 0.26 0.00 0.10 0.00 0.00 66.02 64.06 1iti s SER 102 CO 0.17 -0.10 1.03 0.00 0.98 0.00 0.00 173.24 175.32 1iti s PRO 104 N 0.47 3.08 0.10 0.00 0.05 -1.26 -4.90 135.00 132.53 1iti s PRO 104 Ca 0.29 2.01 -0.11 0.00 0.05 0.00 0.00 61.00 63.24 1iti s PRO 104 Cb 0.23 -2.10 -0.06 0.00 0.05 0.00 0.00 34.50 32.62 1iti s PRO 104 CO -0.18 -1.17 0.44 0.54 0.05 0.00 0.00 177.00 176.68 1iti s VAL 105 N -1.44 5.03 0.00 -0.36 0.11 -1.26 -5.02 120.40 117.46 1iti s VAL 105 Ca 0.74 0.55 0.00 0.00 -2.93 0.00 0.00 61.98 60.34 1iti s VAL 105 Cb -0.35 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 30.83 1iti s VAL 105 CO 0.40 0.27 0.00 0.29 -3.33 0.00 0.00 175.10 172.72 1iti n LYS 106 N 0.85 0.00 -4.02 1.54 4.76 -1.26 -5.13 118.16 114.89 1iti n LYS 106 Ca -0.07 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.24 1iti n LYS 106 Cb 0.52 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.68 1iti n LYS 106 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1iti s GLU 107 N 1.53 1.93 0.00 1.97 2.02 -1.26 -5.18 118.70 119.71 1iti s GLU 107 Ca 0.00 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 53.36 1iti s GLU 107 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 34.13 34.71 1iti s GLU 107 CO 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 175.26 174.46 1iti n ALA 108 N -0.53 0.00 -1.34 5.21 0.00 -1.26 -4.79 120.51 117.80 1iti n ALA 108 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1iti n ALA 108 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.06 0.00 -3.85 0.00 8.00 -1.26 -4.88 116.55 114.50 1iti n ASP 109 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 1iti n ASP 109 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 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 1.15 1.07 0.06 -1.24 -0.21 -1.26 -4.03 119.66 115.20 1iti s GLN 110 Ca 0.00 -1.00 -0.20 0.00 0.02 0.00 0.00 55.36 54.18 1iti s GLN 110 Cb 0.00 0.40 0.04 0.00 1.00 0.00 0.00 33.01 34.45 1iti s GLN 110 CO 0.00 -0.39 0.47 -1.54 -2.12 0.00 0.00 175.29 171.70 1iti s SER 111 N -2.90 -0.36 0.09 5.90 1.04 0.19 -4.61 113.70 113.05 1iti s SER 111 Ca 0.10 0.03 -0.22 0.00 0.48 0.00 0.00 55.95 56.34 1iti s SER 111 Cb 0.03 0.47 -0.07 0.00 0.10 0.00 0.00 66.02 66.55 1iti s SER 111 CO -0.06 -0.73 0.67 0.42 0.98 0.00 0.00 173.24 174.52 1iti s THR 112 N -2.72 4.64 0.45 2.02 -4.23 -1.26 0.39 115.64 114.93 1iti s THR 112 Ca -0.04 1.44 0.26 0.00 -1.18 0.00 0.00 61.69 62.18 1iti s THR 112 Cb -0.00 -4.01 0.46 0.00 1.34 0.00 0.00 72.50 70.29 1iti s THR 112 CO -0.04 0.50 1.75 0.25 -0.54 0.00 0.00 174.62 176.53 1iti h LEU 113 N 4.81 0.27 0.09 4.79 5.85 -1.66 0.26 115.31 129.72 1iti h LEU 113 Ca -0.47 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1iti h LEU 113 Cb 1.21 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1iti h LEU 113 CO 0.66 0.01 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.65 1iti h GLU 114 N 0.22 -0.11 -0.30 1.25 4.81 -1.89 -0.73 114.58 117.83 1iti h GLU 114 Ca 0.63 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.94 1iti h GLU 114 Cb 1.97 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 31.31 1iti h GLU 114 CO -0.23 -0.08 -0.10 -0.91 -0.73 0.00 0.00 179.01 176.96 1iti h ASN 115 N -0.14 -0.36 -0.25 1.04 4.21 -1.78 -1.17 115.58 117.13 1iti h ASN 115 Ca -0.01 0.10 0.04 0.00 1.21 0.00 0.00 56.30 57.63 1iti h ASN 115 Cb 0.09 0.22 -0.07 0.00 -1.12 0.00 0.00 38.32 37.44 1iti h ASN 115 CO 0.02 -0.13 -0.49 0.15 -1.29 0.00 0.00 177.43 175.68 1iti h PHE 116 N -0.04 -1.49 0.00 1.19 3.57 -0.55 1.17 116.94 120.78 1iti h PHE 116 Ca 0.15 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1iti h PHE 116 Cb 0.27 0.68 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1iti h PHE 116 CO -0.31 -0.46 0.14 -0.07 -2.23 0.00 0.00 178.31 175.38 1iti h LEU 117 N -0.43 0.00 0.00 0.59 3.38 -0.68 0.21 115.31 118.38 1iti h LEU 117 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1iti h LEU 117 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1iti h LEU 117 CO -0.47 0.00 -0.01 -0.08 0.09 0.00 0.00 178.44 177.97 1iti h GLU 118 N 0.00 0.00 -0.20 1.13 4.57 0.25 -2.69 114.58 117.64 1iti h GLU 118 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1iti h GLU 118 Cb 0.28 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1iti h GLU 118 CO 0.00 0.00 0.16 0.07 -1.18 0.00 0.00 179.01 178.06 1iti h ARG 119 N -0.50 0.00 0.61 1.92 0.11 -0.61 -1.44 114.38 114.47 1iti h ARG 119 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1iti h ARG 119 Cb 0.01 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 1iti h ARG 119 CO 0.00 0.00 -0.29 1.25 0.10 0.00 0.00 179.97 181.03 1iti h LEU 120 N 0.00 -0.69 -0.39 0.08 6.46 -1.07 -0.10 115.31 119.60 1iti h LEU 120 Ca 0.10 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.94 1iti h LEU 120 Cb 0.41 0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 40.45 1iti h LEU 120 CO -0.00 -0.30 -0.03 0.50 -0.62 0.00 0.00 178.44 177.98 1iti h LYS 121 N -1.20 0.06 -0.57 1.25 3.11 -1.12 0.29 116.57 118.39 1iti h LYS 121 Ca -0.08 -0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.80 1iti h LYS 121 Cb 0.64 -0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.81 1iti h LYS 121 CO 0.14 0.04 0.31 1.15 -2.81 0.00 0.00 179.45 178.27 1iti h THR 122 N 0.06 0.97 -0.72 1.00 2.02 -1.30 -1.66 112.91 113.27 1iti h THR 122 Ca 0.19 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1iti h THR 122 Cb 0.28 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 1iti h THR 122 CO -0.35 0.11 0.48 0.40 0.37 0.00 0.00 175.52 176.53 1iti h ILE 123 N 0.58 1.18 0.48 3.11 2.04 0.27 -1.51 117.51 123.66 1iti h ILE 123 Ca 0.25 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1iti h ILE 123 Cb 0.15 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1iti h ILE 123 CO -0.16 0.18 -0.45 0.24 0.00 0.00 0.00 178.15 177.96 1iti h MET 124 N 0.98 -0.89 -0.44 2.37 2.86 -0.08 0.77 114.93 120.51 1iti h MET 124 Ca 0.27 0.06 0.13 0.00 -2.06 0.00 0.00 59.70 58.09 1iti h MET 124 Cb -0.11 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1iti h MET 124 CO -0.06 -0.59 0.41 0.00 1.06 0.00 0.00 176.91 177.73 1iti h ARG 125 N -0.92 0.00 0.28 1.72 3.08 -1.28 1.23 114.38 118.50 1iti h ARG 125 Ca -0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1iti h ARG 125 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1iti h ARG 125 CO -0.04 0.00 -0.13 1.49 -1.07 0.00 0.00 179.97 180.22 1iti h GLU 126 N 0.00 -0.36 -0.00 0.04 4.81 -0.00 -3.18 114.58 115.89 1iti h GLU 126 Ca 0.21 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1iti h GLU 126 Cb 1.03 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1iti h GLU 126 CO -0.00 -0.03 -0.02 1.63 -0.73 0.00 0.00 179.01 179.86 1iti n LYS 127 N -5.04 0.52 0.29 1.92 5.02 0.09 -3.45 118.16 117.50 1iti n LYS 127 Ca -0.08 -0.03 0.19 0.00 -2.02 0.00 0.00 58.31 56.37 1iti n LYS 127 Cb 0.25 -1.50 1.03 0.00 -0.02 0.00 0.00 35.03 34.79 1iti n LYS 127 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1iti h TYR 128 N 0.08 0.00 -1.82 2.13 3.20 0.15 -3.41 116.97 117.30 1iti h TYR 128 Ca 0.00 0.00 -0.60 0.00 3.14 0.00 0.00 58.73 61.27 1iti h TYR 128 Cb 0.27 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 1iti h TYR 128 CO 0.00 0.00 1.43 -1.13 -1.64 0.00 0.00 178.16 176.82 1iti n SER 129 N -2.83 3.11 0.00 -2.11 3.41 -1.22 -4.84 113.62 109.13 1iti n SER 129 Ca -0.02 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1iti n SER 129 Cb 0.07 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.54 1iti n SER 129 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1iti n LYS 130 N 8.40 0.00 -0.17 4.33 2.85 -1.26 -4.96 118.16 127.35 1iti n LYS 130 Ca 0.31 0.00 0.29 0.00 -1.05 0.00 0.00 58.31 57.86 1iti n LYS 130 Cb 0.39 0.00 0.68 0.00 -0.65 0.00 0.00 35.03 35.44 1iti n LYS 130 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iti s SER 132 N -4.70 -0.09 0.00 0.00 0.01 -1.26 -4.99 113.70 102.67 1iti s SER 132 Ca -0.04 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1iti s SER 132 Cb 0.18 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1iti s SER 132 CO 0.63 -0.42 0.00 -0.24 0.41 0.00 0.00 173.24 173.62