#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 3.57 -1.03 0.62 0.00 -1.26 -5.00 121.76 118.67 1iti s ALA 2 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 51.96 51.35 1iti s ALA 2 Cb 0.00 -2.40 0.08 0.00 0.00 0.00 0.00 23.12 20.80 1iti s ALA 2 CO 0.00 0.32 1.38 -2.00 0.00 0.00 0.00 175.76 175.47 1iti s GLU 3 N -3.28 3.65 -0.44 0.00 2.56 -1.26 -4.83 118.70 115.10 1iti s GLU 3 Ca 0.46 -1.45 -0.02 0.00 0.00 0.00 0.00 54.97 53.97 1iti s GLU 3 Cb -0.11 -5.23 0.26 0.00 2.00 0.00 0.00 34.13 31.05 1iti s GLU 3 CO 0.26 -2.07 2.12 0.00 -0.56 0.00 0.00 175.26 175.02 1iti n ALA 4 N 8.03 5.65 -3.00 6.30 0.00 -1.26 -4.88 120.51 131.34 1iti n ALA 4 Ca 0.32 -2.38 0.00 0.00 0.00 0.00 0.00 53.44 51.38 1iti n ALA 4 Cb 0.50 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1iti n ALA 4 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1iti n HIS 5 N 0.07 -0.05 -1.74 0.00 8.25 -1.26 -5.08 115.22 115.42 1iti n HIS 5 Ca 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 1iti n HIS 5 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 1iti n HIS 5 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1iti n LYS 6 N 0.00 0.00 -1.61 -0.41 5.02 -1.26 -5.10 118.16 114.80 1iti n LYS 6 Ca 0.00 -0.50 -0.54 0.00 -2.02 0.00 0.00 58.31 55.25 1iti n LYS 6 Cb 0.00 -0.31 -0.06 0.00 -0.02 0.00 0.00 35.03 34.63 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 1.12 6.96 0.07 0.00 -1.08 -1.26 -4.93 116.67 117.56 1iti s ASP 8 Ca 0.88 1.17 0.13 0.00 -0.52 0.00 0.00 52.55 54.21 1iti s ASP 8 Cb -1.02 -2.44 -0.16 0.00 -1.46 0.00 0.00 42.92 37.84 1iti s ASP 8 CO 0.52 -0.33 0.98 -0.29 0.52 0.00 0.00 175.17 176.58 1iti h ILE 9 N 5.09 0.98 -0.52 4.11 2.10 -2.02 -3.30 117.51 123.95 1iti h ILE 9 Ca -0.32 -2.63 0.11 0.00 1.08 0.00 0.00 64.86 63.10 1iti h ILE 9 Cb 1.15 2.43 -0.03 0.00 -1.09 0.00 0.00 36.82 39.28 1iti h ILE 9 CO 0.81 0.56 0.36 0.74 -1.08 0.00 0.00 178.15 179.53 1iti h THR 10 N 0.00 0.83 0.00 2.19 2.02 -1.99 0.33 112.91 116.30 1iti h THR 10 Ca -0.14 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1iti h THR 10 Cb 1.74 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1iti h THR 10 CO 0.08 0.04 -0.20 -0.07 0.37 0.00 0.00 175.52 175.74 1iti h LEU 11 N 0.19 0.00 0.10 2.58 3.38 -1.98 -1.56 115.31 118.02 1iti h LEU 11 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 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 -0.04 0.20 -0.05 -0.61 0.09 0.00 0.00 178.44 178.03 1iti h GLN 12 N 0.00 -0.12 -0.05 1.13 4.15 -0.51 -2.67 115.11 117.04 1iti h GLN 12 Ca -0.00 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 1iti h GLN 12 Cb 0.74 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 1iti h GLN 12 CO 0.03 0.31 -0.15 1.05 -1.93 0.00 0.00 178.83 178.14 1iti h GLU 13 N -0.95 0.08 -0.16 1.69 4.11 -1.50 -2.62 114.58 115.23 1iti h GLU 13 Ca -0.01 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 1iti h GLU 13 Cb 0.49 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1iti h GLU 13 CO 0.02 0.23 0.02 0.82 0.07 0.00 0.00 179.01 180.16 1iti h ILE 14 N 0.07 1.23 -0.17 -1.06 2.04 -1.34 -2.05 117.51 116.23 1iti h ILE 14 Ca 0.02 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1iti h ILE 14 Cb 0.31 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1iti h ILE 14 CO 0.02 0.23 -0.02 0.40 0.00 0.00 0.00 178.15 178.77 1iti h ILE 15 N 0.03 0.85 -0.80 -0.67 2.04 -1.12 -1.64 117.51 116.21 1iti h ILE 15 Ca 0.05 -0.01 0.10 0.00 1.00 0.00 0.00 64.86 65.99 1iti h ILE 15 Cb 0.33 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 1iti h ILE 15 CO 0.00 0.00 0.44 0.11 0.00 0.00 0.00 178.15 178.71 1iti h LYS 16 N 0.02 0.72 0.04 2.37 1.57 -1.41 -1.88 116.57 118.01 1iti h LYS 16 Ca 0.08 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1iti h LYS 16 Cb 0.12 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1iti h LYS 16 CO -0.16 0.48 -0.09 1.15 -0.57 0.00 0.00 179.45 180.26 1iti h THR 17 N 0.74 0.78 -0.83 -0.16 2.02 -0.58 -1.99 112.91 112.89 1iti h THR 17 Ca 0.39 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.77 1iti h THR 17 Cb 0.38 0.78 -0.13 0.00 -1.74 0.00 0.00 68.15 67.45 1iti h THR 17 CO -0.26 0.00 0.25 -0.07 0.37 0.00 0.00 175.52 175.81 1iti h LEU 18 N -0.17 0.09 -0.87 2.58 3.38 -0.52 0.42 115.31 120.22 1iti h LEU 18 Ca 0.02 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1iti h LEU 18 Cb 0.19 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1iti h LEU 18 CO -0.06 -0.07 0.56 0.78 0.09 0.00 0.00 178.44 179.74 1iti h ASN 19 N 0.28 0.94 -0.60 -0.43 4.21 -1.02 -1.40 115.58 117.56 1iti h ASN 19 Ca 0.50 -0.01 0.08 0.00 1.21 0.00 0.00 56.30 58.09 1iti h ASN 19 Cb 0.94 -0.21 -0.07 0.00 -1.12 0.00 0.00 38.32 37.87 1iti h ASN 19 CO -0.57 0.65 0.24 0.28 -1.29 0.00 0.00 177.43 176.74 1iti h SER 20 N 1.10 0.27 0.12 5.81 0.02 0.27 -1.95 113.55 119.19 1iti h SER 20 Ca 0.35 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.36 1iti h SER 20 Cb -0.00 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1iti h SER 20 CO -0.11 0.17 -0.06 -0.07 -1.14 0.00 0.00 176.83 175.61 1iti h LEU 21 N 0.44 -0.14 -1.74 5.07 3.38 -0.96 -2.29 115.31 119.08 1iti h LEU 21 Ca 0.30 -0.23 0.26 0.00 0.09 0.00 0.00 57.88 58.29 1iti h LEU 21 Cb 0.33 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1iti h LEU 21 CO -0.28 0.16 0.82 0.71 0.09 0.00 0.00 178.44 179.94 1iti h THR 22 N -0.45 0.26 0.00 0.22 1.35 -0.77 1.22 112.91 114.74 1iti h THR 22 Ca -0.02 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.64 1iti h THR 22 Cb 0.36 0.37 -0.03 0.00 -1.73 0.00 0.00 68.15 67.12 1iti h THR 22 CO 0.03 0.00 -1.11 -0.33 -0.25 0.00 0.00 175.52 173.86 1iti h GLU 23 N 0.00 0.00 -6.20 4.72 4.39 -0.83 -3.45 114.58 113.21 1iti h GLU 23 Ca 0.42 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.54 1iti h GLU 23 Cb 2.06 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.67 1iti h GLU 23 CO -0.00 0.70 -0.20 -0.65 -1.16 0.00 0.00 179.01 177.70 1iti s GLN 24 N -2.76 3.81 -0.08 2.33 -0.21 0.42 -5.09 119.66 118.07 1iti s GLN 24 Ca -0.00 0.24 -0.06 0.00 0.02 0.00 0.00 55.36 55.56 1iti s GLN 24 Cb 0.09 -2.93 0.03 0.00 1.00 0.00 0.00 33.01 31.20 1iti s GLN 24 CO 0.81 0.50 0.21 0.15 -2.12 0.00 0.00 175.29 174.84 1iti s LYS 25 N -2.09 0.22 0.00 2.91 1.02 -1.26 -4.87 119.74 115.66 1iti s LYS 25 Ca 0.37 0.36 0.00 0.00 0.02 0.00 0.00 55.97 56.72 1iti s LYS 25 Cb -0.14 0.03 0.00 0.00 -0.52 0.00 0.00 37.83 37.20 1iti s LYS 25 CO 0.19 -0.08 0.00 0.25 -0.92 0.00 0.00 175.35 174.79 1iti n THR 26 N 3.42 0.00 0.52 2.17 -2.24 -1.26 -5.03 114.28 111.86 1iti n THR 26 Ca -0.17 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1iti n THR 26 Cb 0.56 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.91 1iti n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iti n LEU 27 N 0.00 0.69 0.00 3.22 -0.00 -1.26 -3.67 117.00 115.98 1iti n LEU 27 Ca 0.00 0.17 0.11 0.00 -0.00 0.00 0.00 56.01 56.29 1iti n LEU 27 Cb 0.00 -0.15 0.63 0.00 -0.00 0.00 0.00 43.42 43.90 1iti n LEU 27 CO 0.00 -0.04 0.84 0.00 -0.00 0.00 0.00 177.39 178.19 1iti n THR 29 N -1.07 0.00 0.75 0.00 -2.24 -1.24 -3.79 114.28 106.70 1iti n THR 29 Ca 0.15 -0.13 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1iti n THR 29 Cb 0.10 0.58 0.19 0.00 -2.10 0.00 0.00 70.33 69.10 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 -0.71 0.17 0.00 -0.78 -0.58 -0.93 -3.77 120.64 114.04 1iti n GLU 30 Ca 0.10 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1iti n GLU 30 Cb 0.37 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1iti n GLU 30 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1iti n LEU 31 N -1.83 0.00 -3.59 -4.62 4.77 -1.25 -4.85 117.00 105.64 1iti n LEU 31 Ca 0.04 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.83 1iti n LEU 31 Cb 0.39 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.34 1iti n LEU 31 CO 0.36 -1.49 -0.24 0.42 -1.33 0.00 0.00 177.39 175.11 1iti s THR 32 N -0.98 -0.25 0.37 -5.08 -4.23 -1.26 -3.57 115.64 100.63 1iti s THR 32 Ca 0.00 0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1iti s THR 32 Cb 0.00 -0.49 0.07 0.00 1.34 0.00 0.00 72.50 73.42 1iti s THR 32 CO 0.00 -0.06 0.50 1.33 -0.54 0.00 0.00 174.62 175.85 1iti n VAL 33 N 5.31 0.00 -3.46 2.29 0.24 -0.83 -4.84 118.33 117.04 1iti n VAL 33 Ca -0.05 -0.85 -0.36 0.00 -2.04 0.00 0.00 64.34 61.03 1iti n VAL 33 Cb 0.50 -1.06 -0.06 0.00 -1.47 0.00 0.00 33.84 31.74 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 -1.38 4.96 0.68 3.34 2.01 -1.26 -1.77 115.64 122.22 1iti s THR 34 Ca 0.34 0.78 -0.09 0.00 0.31 0.00 0.00 61.69 63.03 1iti s THR 34 Cb -0.02 -3.72 0.03 0.00 0.01 0.00 0.00 72.50 68.79 1iti s THR 34 CO 0.22 0.41 1.03 -0.62 -0.69 0.00 0.00 174.62 174.98 1iti s ASP 35 N -1.43 5.31 0.00 3.53 -1.08 -1.25 -4.73 116.67 117.02 1iti s ASP 35 Ca 0.30 0.88 0.00 0.00 -0.52 0.00 0.00 52.55 53.21 1iti s ASP 35 Cb -0.16 -1.68 0.00 0.00 -1.46 0.00 0.00 42.92 39.62 1iti s ASP 35 CO 0.17 -1.35 0.00 2.30 0.52 0.00 0.00 175.17 176.81 1iti n ILE 36 N -2.90 0.00 1.36 4.11 -5.35 -1.26 -4.69 119.36 110.63 1iti n ILE 36 Ca 0.06 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.66 1iti n ILE 36 Cb 0.58 0.00 0.67 0.00 -1.74 0.00 0.00 39.64 39.15 1iti n ILE 36 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1iti n PHE 37 N -0.94 0.00 0.93 4.28 3.72 -1.26 -2.46 117.46 121.73 1iti n PHE 37 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1iti n PHE 37 Cb 0.00 -0.10 0.31 0.00 -0.94 0.00 0.00 39.48 38.75 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 -1.10 2.49 -1.38 4.37 0.00 -1.26 -4.10 120.51 119.52 1iti n ALA 38 Ca 0.16 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1iti n ALA 38 Cb 0.12 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.72 0.77 -1.29 0.00 0.00 -1.03 -4.97 120.51 114.71 1iti n ALA 39 Ca 0.17 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 1iti n ALA 39 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 1iti n ALA 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1iti n SER 40 N 0.00 2.95 0.00 0.00 7.64 -1.04 -4.59 113.62 118.58 1iti n SER 40 Ca 0.00 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.17 1iti n SER 40 Cb 0.44 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1iti n SER 40 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1iti n LYS 41 N 6.69 0.00 -0.21 1.43 5.02 -1.26 -4.39 118.16 125.44 1iti n LYS 41 Ca 0.50 0.25 0.05 0.00 -2.02 0.00 0.00 58.31 57.09 1iti n LYS 41 Cb 0.39 -0.72 0.15 0.00 -0.02 0.00 0.00 35.03 34.84 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 -2.00 1.99 -4.77 4.39 9.92 -1.26 -4.85 116.55 119.98 1iti n ASP 42 Ca 0.00 -2.07 -0.38 0.00 -0.53 0.00 0.00 54.79 51.81 1iti n ASP 42 Cb 0.00 -0.28 -0.06 0.00 -0.64 0.00 0.00 41.12 40.14 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1iti s THR 43 N -1.60 5.11 0.71 -3.53 -4.23 -1.26 -5.08 115.64 105.76 1iti s THR 43 Ca 0.22 0.90 -0.02 0.00 -1.18 0.00 0.00 61.69 61.62 1iti s THR 43 Cb 0.13 -3.77 0.11 0.00 1.34 0.00 0.00 72.50 70.30 1iti s THR 43 CO 0.14 0.43 0.98 0.42 -0.54 0.00 0.00 174.62 176.05 1iti s THR 44 N -0.06 2.23 0.46 3.99 -4.23 -1.26 -4.87 115.64 111.89 1iti s THR 44 Ca 0.25 -0.53 0.17 0.00 -1.18 0.00 0.00 61.69 60.39 1iti s THR 44 Cb -0.16 -2.70 0.34 0.00 1.34 0.00 0.00 72.50 71.33 1iti s THR 44 CO 0.11 0.00 1.98 -0.33 -0.54 0.00 0.00 174.62 175.85 1iti h GLU 45 N -0.51 0.29 0.17 3.99 4.39 -1.98 -1.49 114.58 119.43 1iti h GLU 45 Ca -0.39 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.29 1iti h GLU 45 Cb 1.27 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1iti h GLU 45 CO 0.44 0.19 -0.13 0.87 -1.16 0.00 0.00 179.01 179.22 1iti h LYS 46 N 0.30 -0.28 -0.37 2.33 1.79 -2.01 -1.04 116.57 117.29 1iti h LYS 46 Ca 0.27 0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.87 1iti h LYS 46 Cb 0.66 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1iti h LYS 46 CO -0.06 -0.19 0.31 0.93 -1.08 0.00 0.00 179.45 179.36 1iti h GLU 47 N -0.29 0.00 0.55 3.15 3.07 -1.87 -1.97 114.58 117.22 1iti h GLU 47 Ca -0.02 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1iti h GLU 47 Cb 0.24 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1iti h GLU 47 CO 0.01 0.00 -0.27 1.15 -1.40 0.00 0.00 179.01 178.50 1iti h THR 48 N 0.00 0.45 -0.94 1.13 2.02 -0.54 0.13 112.91 115.16 1iti h THR 48 Ca 0.18 -0.07 0.09 0.00 0.77 0.00 0.00 66.41 67.38 1iti h THR 48 Cb 0.79 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 1iti h THR 48 CO -0.00 0.01 0.58 -0.26 0.37 0.00 0.00 175.52 176.22 1iti h PHE 49 N -0.79 1.07 0.55 3.16 0.04 -0.45 -1.16 116.94 119.36 1iti h PHE 49 Ca -0.08 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 1iti h PHE 49 Cb 0.59 -0.34 0.01 0.00 2.20 0.00 0.00 35.95 38.40 1iti h PHE 49 CO -0.03 0.48 -0.26 0.00 -0.60 0.00 0.00 178.31 177.90 1iti h ARG 51 N -0.92 0.31 -0.13 0.00 2.47 -0.36 0.70 114.38 116.45 1iti h ARG 51 Ca -0.08 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 1iti h ARG 51 Cb 0.63 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 1iti h ARG 51 CO 0.12 0.21 0.05 0.00 0.56 0.00 0.00 179.97 180.91 1iti h ALA 52 N 1.63 1.84 0.01 0.04 0.00 -1.03 -2.64 119.26 119.10 1iti h ALA 52 Ca 0.45 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1iti h ALA 52 Cb 0.79 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1iti h ALA 52 CO -0.51 0.14 -0.01 0.00 0.00 0.00 0.00 179.25 178.87 1iti h ALA 53 N 1.87 -0.02 -0.88 0.00 0.00 0.11 -2.58 119.26 117.77 1iti h ALA 53 Ca 0.05 -0.32 0.21 0.00 0.00 0.00 0.00 54.91 54.85 1iti h ALA 53 Cb 0.05 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.72 1iti h ALA 53 CO -0.00 -0.18 0.35 1.15 0.00 0.00 0.00 179.25 180.57 1iti h THR 54 N -0.67 0.46 0.33 0.00 2.02 -0.81 0.37 112.91 114.62 1iti h THR 54 Ca -0.00 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1iti h THR 54 Cb 0.64 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1iti h THR 54 CO 0.00 0.07 -0.16 0.58 0.37 0.00 0.00 175.52 176.38 1iti h VAL 55 N 0.37 0.00 -0.94 3.16 2.07 -1.48 -2.54 116.25 116.89 1iti h VAL 55 Ca 0.54 -0.12 0.27 0.00 0.82 0.00 0.00 66.70 68.22 1iti h VAL 55 Cb 1.03 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1iti h VAL 55 CO -0.54 0.00 0.83 -0.07 0.02 0.00 0.00 177.57 177.81 1iti h LEU 56 N -0.57 0.00 0.29 2.57 3.38 -1.01 -1.21 115.31 118.76 1iti h LEU 56 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1iti h LEU 56 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1iti h LEU 56 CO 0.08 0.00 -0.14 0.03 0.09 0.00 0.00 178.44 178.49 1iti h ARG 57 N 0.00 -0.38 0.00 1.13 3.08 0.05 -2.56 114.38 115.69 1iti h ARG 57 Ca 0.45 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.52 1iti h ARG 57 Cb 2.09 0.09 0.00 0.00 0.08 0.00 0.00 29.97 32.23 1iti h ARG 57 CO -0.00 -0.25 0.00 0.00 -1.07 0.00 0.00 179.97 178.64 1iti n GLN 58 N -3.29 0.09 0.00 0.04 -0.00 -0.62 -1.51 117.38 112.09 1iti n GLN 58 Ca -0.05 0.18 0.00 0.00 -0.00 0.00 0.00 57.00 57.13 1iti n GLN 58 Cb 0.16 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 28.90 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 -1.21 0.00 1.41 2.61 7.35 -0.56 -3.02 117.46 124.04 1iti n PHE 59 Ca 0.03 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.84 1iti n PHE 59 Cb 0.03 -0.38 0.70 0.00 0.35 0.00 0.00 39.48 40.18 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 -1.84 0.00 -0.02 -5.13 0.18 -1.02 -2.31 117.16 107.01 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 -0.14 -0.14 0.00 -0.38 0.00 0.00 39.34 38.69 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 -1.14 1.91 -0.05 9.48 7.64 -0.57 -3.78 113.62 127.11 1iti n SER 61 Ca 0.16 0.17 -0.03 0.00 1.01 0.00 0.00 58.87 60.18 1iti n SER 61 Cb 0.14 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 62.67 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 -3.38 0.70 -0.23 1.43 -0.00 -1.17 -4.04 115.22 108.54 1iti n HIS 62 Ca -0.32 0.30 0.01 0.00 0.46 0.00 0.00 57.72 58.17 1iti n HIS 62 Cb 1.04 -0.64 0.10 0.00 -0.12 0.00 0.00 29.99 30.37 1iti n HIS 62 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1iti h HIS 63 N -0.75 -0.21 -1.21 1.57 3.86 -1.64 0.71 115.15 117.47 1iti h HIS 63 Ca 0.00 0.06 0.35 0.00 -1.16 0.00 0.00 60.37 59.61 1iti h HIS 63 Cb 0.38 0.20 -0.07 0.00 1.06 0.00 0.00 27.41 28.98 1iti h HIS 63 CO -0.16 -0.25 0.84 1.49 0.86 0.00 0.00 177.93 180.71 1iti h GLU 64 N 0.05 0.10 0.00 2.45 4.22 -1.71 1.27 114.58 120.97 1iti h GLU 64 Ca 0.34 -0.01 -0.07 0.00 0.08 0.00 0.00 59.36 59.71 1iti h GLU 64 Cb 0.55 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1iti h GLU 64 CO -0.64 0.07 -0.82 0.87 -2.18 0.00 0.00 179.01 176.30 1iti h LYS 65 N 0.10 0.00 -6.85 1.92 1.57 0.24 -3.46 116.57 110.10 1iti h LYS 65 Ca 0.61 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.90 1iti h LYS 65 Cb 2.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.50 1iti h LYS 65 CO -0.11 0.17 0.14 0.34 -0.57 0.00 0.00 179.45 179.43 1iti s ASP 66 N -5.85 6.62 -0.46 0.86 -1.08 0.44 -4.96 116.67 112.24 1iti s ASP 66 Ca 0.01 1.24 -0.02 0.00 -0.52 0.00 0.00 52.55 53.26 1iti s ASP 66 Cb 0.08 -2.36 0.27 0.00 -1.46 0.00 0.00 42.92 39.45 1iti s ASP 66 CO 0.76 -0.36 2.11 0.35 0.52 0.00 0.00 175.17 178.56 1iti n THR 67 N -1.03 3.13 -0.10 1.71 -2.24 -1.26 -4.34 114.28 110.14 1iti n THR 67 Ca 0.03 -2.31 -0.24 0.00 -2.27 0.00 0.00 64.05 59.26 1iti n THR 67 Cb 0.54 -1.31 -0.11 0.00 -2.10 0.00 0.00 70.33 67.34 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 -0.00 0.62 -0.12 -0.78 1.74 -1.26 -4.06 116.66 112.79 1iti n ARG 68 Ca 0.43 0.35 0.09 0.00 -0.77 0.00 0.00 57.85 57.95 1iti n ARG 68 Cb 0.58 -1.62 0.29 0.00 -1.02 0.00 0.00 32.46 30.69 1iti n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iti n LEU 70 N 0.41 1.88 0.00 0.00 4.77 -1.26 -4.87 117.00 117.93 1iti n LEU 70 Ca 0.14 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1iti n LEU 70 Cb 0.32 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1iti n LEU 70 CO 0.11 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1iti n GLY 71 N 1.43 1.72 0.00 -0.72 0.00 -1.26 -4.52 105.19 101.85 1iti n GLY 71 Ca -0.30 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 7.91 0.00 -0.83 4.61 0.00 -1.26 -5.05 120.51 125.89 1iti n ALA 72 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1iti n ALA 72 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1iti n ALA 72 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iti n THR 73 N -0.28 0.00 -0.08 0.00 -2.24 -1.26 -4.87 114.28 105.55 1iti n THR 73 Ca 0.00 -0.23 -0.22 0.00 -2.27 0.00 0.00 64.05 61.33 1iti n THR 73 Cb 0.00 -0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 67.75 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 -1.54 0.30 -0.30 6.98 0.00 -2.00 -3.21 119.26 119.49 1iti h ALA 74 Ca -0.47 -1.25 0.01 0.00 0.00 0.00 0.00 54.91 53.20 1iti h ALA 74 Cb 1.35 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 1iti h ALA 74 CO 0.31 0.85 0.20 -0.56 0.00 0.00 0.00 179.25 180.05 1iti h GLN 75 N -0.73 0.38 0.00 0.00 3.07 -2.00 -0.74 115.11 115.09 1iti h GLN 75 Ca -0.37 -0.02 -0.14 0.00 0.09 0.00 0.00 58.65 58.21 1iti h GLN 75 Cb 1.49 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 28.95 1iti h GLN 75 CO -0.13 0.25 -0.65 0.37 0.09 0.00 0.00 178.83 178.76 1iti h GLN 76 N 0.39 0.00 -0.49 0.06 4.15 -1.91 0.46 115.11 117.77 1iti h GLN 76 Ca 0.11 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 1iti h GLN 76 Cb -0.02 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1iti h GLN 76 CO -0.02 0.65 0.14 0.35 -1.93 0.00 0.00 178.83 178.01 1iti h PHE 77 N 0.00 0.80 0.07 3.99 3.57 -1.13 0.09 116.94 124.33 1iti h PHE 77 Ca -0.01 -0.09 -0.12 0.00 3.53 0.00 0.00 57.97 61.29 1iti h PHE 77 Cb 1.15 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 39.67 1iti h PHE 77 CO 0.00 0.71 -0.54 1.25 -2.23 0.00 0.00 178.31 177.50 1iti h HIS 78 N 0.66 0.27 -0.62 0.41 2.76 -1.44 -2.69 115.15 114.50 1iti h HIS 78 Ca 0.16 -0.20 0.13 0.00 -2.20 0.00 0.00 60.37 58.25 1iti h HIS 78 Cb 0.29 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.21 1iti h HIS 78 CO 0.02 1.21 0.42 -0.09 -1.30 0.00 0.00 177.93 178.19 1iti h ARG 79 N -0.67 0.29 -0.01 5.26 2.43 -0.92 -0.69 114.38 120.07 1iti h ARG 79 Ca -0.11 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 1iti h ARG 79 Cb 1.36 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1iti h ARG 79 CO 0.06 0.19 -0.17 1.25 -1.51 0.00 0.00 179.97 179.79 1iti h HIS 80 N 0.30 0.19 -0.06 2.20 2.76 -1.03 -3.11 115.15 116.40 1iti h HIS 80 Ca 0.30 -0.10 0.03 0.00 -2.20 0.00 0.00 60.37 58.40 1iti h HIS 80 Cb 0.75 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.65 1iti h HIS 80 CO -0.00 0.87 -0.17 0.87 -1.30 0.00 0.00 177.93 178.20 1iti h LYS 81 N -0.54 -0.24 -1.03 5.26 1.57 -0.98 -0.46 116.57 120.15 1iti h LYS 81 Ca -0.02 0.02 0.26 0.00 -1.87 0.00 0.00 60.65 59.03 1iti h LYS 81 Cb 0.91 0.05 -0.11 0.00 0.08 0.00 0.00 32.23 33.17 1iti h LYS 81 CO 0.03 -0.16 0.64 0.37 -0.57 0.00 0.00 179.45 179.77 1iti h GLN 82 N -0.24 0.47 0.79 3.15 5.75 -1.25 -0.85 115.11 122.92 1iti h GLN 82 Ca 0.07 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.51 1iti h GLN 82 Cb 0.34 -0.10 0.01 0.00 1.07 0.00 0.00 27.48 28.80 1iti h GLN 82 CO -0.20 0.31 -0.38 1.25 -2.65 0.00 0.00 178.83 177.16 1iti h LEU 83 N 0.48 -0.90 -0.94 -2.39 6.46 -1.03 -2.64 115.31 114.36 1iti h LEU 83 Ca 0.61 0.02 0.22 0.00 -0.12 0.00 0.00 57.88 58.61 1iti h LEU 83 Cb 1.38 0.23 -0.12 0.00 -0.73 0.00 0.00 40.66 41.42 1iti h LEU 83 CO -0.37 -0.56 0.49 0.40 -0.62 0.00 0.00 178.44 177.78 1iti h ILE 84 N -1.20 0.55 -0.26 4.05 1.08 -0.69 0.39 117.51 121.42 1iti h ILE 84 Ca -0.11 -0.18 0.06 0.00 -0.39 0.00 0.00 64.86 64.24 1iti h ILE 84 Cb 0.83 -0.02 -0.06 0.00 -3.07 0.00 0.00 36.82 34.49 1iti h ILE 84 CO 0.18 0.10 -0.13 0.03 -0.69 0.00 0.00 178.15 177.63 1iti h ARG 85 N 0.52 -0.09 0.06 2.37 3.08 -0.95 0.18 114.38 119.55 1iti h ARG 85 Ca 0.58 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.65 1iti h ARG 85 Cb 1.06 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.11 1iti h ARG 85 CO -0.48 -0.06 -0.16 0.74 -1.07 0.00 0.00 179.97 178.95 1iti h PHE 86 N -0.09 -0.40 0.39 3.04 0.04 -0.59 -1.47 116.94 117.86 1iti h PHE 86 Ca 0.14 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.91 1iti h PHE 86 Cb 0.30 0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 1iti h PHE 86 CO -0.31 -0.23 -0.44 -0.07 -0.60 0.00 0.00 178.31 176.65 1iti h LEU 87 N -0.29 -1.22 -1.62 1.54 3.38 -0.87 0.15 115.31 116.39 1iti h LEU 87 Ca 0.03 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.20 1iti h LEU 87 Cb 0.32 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1iti h LEU 87 CO -0.11 -0.58 0.58 0.11 0.09 0.00 0.00 178.44 178.53 1iti h LYS 88 N -0.86 0.00 0.00 1.13 1.57 -0.48 0.63 116.57 118.56 1iti h LYS 88 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1iti h LYS 88 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1iti h LYS 88 CO -0.10 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 176.65 1iti n ARG 89 N -3.21 0.00 0.20 3.15 0.63 0.36 -3.77 116.66 114.01 1iti n ARG 89 Ca 0.05 0.19 0.09 0.00 -0.92 0.00 0.00 57.85 57.26 1iti n ARG 89 Cb 0.71 -0.63 0.49 0.00 0.45 0.00 0.00 32.46 33.48 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 0.00 -0.64 6.15 8.10 -0.88 0.16 115.31 128.20 1iti h LEU 90 Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.87 1iti h LEU 90 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 1iti h LEU 90 CO 0.00 0.00 -0.25 -0.78 -4.11 0.00 0.00 178.44 173.30 1iti h ASP 91 N 0.00 0.82 0.75 0.17 3.58 0.14 -2.70 116.42 119.17 1iti h ASP 91 Ca 0.00 -0.31 -0.25 0.00 0.42 0.00 0.00 57.03 56.89 1iti h ASP 91 Cb 0.55 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 1iti h ASP 91 CO 0.00 1.03 -1.34 0.03 -2.88 0.00 0.00 179.24 176.08 1iti h ARG 92 N 0.69 0.01 -0.53 0.28 2.47 -0.78 -3.24 114.38 113.27 1iti h ARG 92 Ca 0.09 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1iti h ARG 92 Cb 0.78 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.07 1iti h ARG 92 CO 0.06 0.77 0.35 -0.91 0.56 0.00 0.00 179.97 180.80 1iti h ASN 93 N 0.00 0.59 0.08 7.04 4.21 -1.38 0.22 115.58 126.35 1iti h ASN 93 Ca -0.14 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.35 1iti h ASN 93 Cb 1.89 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.95 1iti h ASN 93 CO 0.11 0.42 -0.04 -0.07 -1.29 0.00 0.00 177.43 176.56 1iti h LEU 94 N 0.70 -0.10 0.00 1.61 3.38 -1.59 -1.65 115.31 117.66 1iti h LEU 94 Ca 0.20 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1iti h LEU 94 Cb -0.06 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1iti h LEU 94 CO -0.06 0.12 0.00 1.87 0.09 0.00 0.00 178.44 180.46 1iti n TRP 95 N -5.05 0.00 -0.01 1.13 -0.00 -1.08 -3.05 117.44 109.39 1iti n TRP 95 Ca -0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.41 1iti n TRP 95 Cb 0.15 -0.23 -0.00 0.00 -0.00 0.00 0.00 31.31 31.23 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 2.41 0.00 1.16 5.87 0.00 0.41 -3.23 103.07 109.69 1iti h GLY 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iti h GLY 96 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 176.54 178.01 1iti n LEU 97 N -2.59 0.00 -0.01 3.11 -0.00 -1.06 -2.86 117.00 113.59 1iti n LEU 97 Ca -0.00 0.09 -0.00 0.00 -0.00 0.00 0.00 56.01 56.09 1iti n LEU 97 Cb 0.02 -0.09 -0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1iti n LEU 97 CO 0.01 -0.09 -0.03 0.00 -0.00 0.00 0.00 177.39 177.28 1iti h ALA 98 N 1.94 0.00 -0.28 1.47 0.00 -1.63 -3.48 119.26 117.28 1iti h ALA 98 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1iti h ALA 98 Cb 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1iti h ALA 98 CO 0.00 0.04 -0.07 0.41 0.00 0.00 0.00 179.25 179.64 1iti n GLY 99 N 1.83 0.44 3.77 0.00 0.00 -1.14 -5.01 105.19 105.08 1iti n GLY 99 Ca -0.01 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.76 4.52 -0.02 0.99 1.43 -1.26 -5.00 118.68 118.57 1iti s LEU 100 Ca 0.00 1.50 -0.02 0.00 -1.03 0.00 0.00 54.13 54.59 1iti s LEU 100 Cb 0.00 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.01 1iti s LEU 100 CO 0.00 0.14 -0.04 -3.20 0.23 0.00 0.00 176.35 173.48 1iti n ASN 101 N 2.14 0.30 -4.74 2.29 4.05 -1.26 -4.90 115.26 113.13 1iti n ASN 101 Ca -0.05 0.24 -0.40 0.00 0.45 0.00 0.00 54.58 54.83 1iti n ASN 101 Cb 0.50 -0.56 -0.05 0.00 1.23 0.00 0.00 39.78 40.90 1iti n ASN 101 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1iti s SER 102 N -3.99 7.09 -0.44 1.20 1.04 -1.26 -4.97 113.70 112.37 1iti s SER 102 Ca -0.03 1.30 0.04 0.00 0.48 0.00 0.00 55.95 57.74 1iti s SER 102 Cb 0.00 -2.43 0.26 0.00 0.10 0.00 0.00 66.02 63.96 1iti s SER 102 CO 0.05 -0.01 1.03 0.00 0.98 0.00 0.00 173.24 175.29 1iti s PRO 104 N 0.46 2.39 0.73 0.00 0.05 -1.26 -4.96 135.00 132.42 1iti s PRO 104 Ca 0.29 1.75 -0.00 0.00 0.05 0.00 0.00 61.00 63.09 1iti s PRO 104 Cb 0.24 -1.86 0.14 0.00 0.05 0.00 0.00 34.50 33.06 1iti s PRO 104 CO -0.18 -1.64 1.01 0.54 0.05 0.00 0.00 177.00 176.77 1iti s VAL 105 N -1.91 2.06 0.00 -0.36 0.11 -1.26 -5.03 120.40 114.02 1iti s VAL 105 Ca 0.75 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1iti s VAL 105 Cb -0.29 -2.44 0.00 0.00 -1.53 0.00 0.00 36.38 32.12 1iti s VAL 105 CO 0.42 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 173.36 1iti n LYS 106 N -2.85 0.00 -3.85 1.54 4.81 -1.26 -5.18 118.16 111.36 1iti n LYS 106 Ca 0.16 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.51 1iti n LYS 106 Cb 0.61 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.58 1iti n LYS 106 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1iti s GLU 107 N 3.69 0.83 0.00 1.64 2.02 -1.26 -5.16 118.70 120.46 1iti s GLU 107 Ca 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.07 1iti s GLU 107 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.57 1iti s GLU 107 CO 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 175.26 175.02 1iti n ALA 108 N 0.01 0.00 -1.64 5.21 0.00 -1.26 -5.05 120.51 117.78 1iti n ALA 108 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1iti n ALA 108 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1iti n ALA 108 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iti n ASP 109 N 0.00 0.00 -3.98 0.00 9.92 -1.26 -4.92 116.55 116.30 1iti n ASP 109 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1iti n ASP 109 Cb 0.00 0.00 -0.07 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 2.60 1.20 -0.28 -1.24 -0.21 -1.26 -3.87 119.66 116.60 1iti s GLN 110 Ca 0.00 -1.21 -0.13 0.00 0.02 0.00 0.00 55.36 54.03 1iti s GLN 110 Cb 0.00 0.38 0.10 0.00 1.00 0.00 0.00 33.01 34.49 1iti s GLN 110 CO 0.00 -0.44 0.65 -1.54 -2.12 0.00 0.00 175.29 171.83 1iti s SER 111 N -2.99 -0.97 0.31 5.90 1.04 -0.73 -4.54 113.70 111.72 1iti s SER 111 Ca 0.19 1.48 -0.29 0.00 0.48 0.00 0.00 55.95 57.81 1iti s SER 111 Cb 0.03 1.68 -0.12 0.00 0.10 0.00 0.00 66.02 67.70 1iti s SER 111 CO 0.02 -0.23 1.39 0.35 0.98 0.00 0.00 173.24 175.75 1iti n THR 112 N 4.76 1.52 -0.34 2.02 -2.24 -1.26 -1.97 114.28 116.77 1iti n THR 112 Ca -0.17 -0.38 0.24 0.00 -2.27 0.00 0.00 64.05 61.47 1iti n THR 112 Cb 0.55 -1.63 0.51 0.00 -2.10 0.00 0.00 70.33 67.65 1iti n THR 112 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1iti h LEU 113 N 3.44 0.46 0.00 3.22 5.85 -1.71 0.17 115.31 126.75 1iti h LEU 113 Ca -0.46 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1iti h LEU 113 Cb 1.27 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1iti h LEU 113 CO 0.69 0.03 0.00 1.21 -0.34 0.00 0.00 178.44 180.04 1iti n GLU 114 N -4.71 0.00 -0.31 1.25 2.13 -1.25 -0.74 120.64 117.01 1iti n GLU 114 Ca 0.28 0.33 0.14 0.00 0.66 0.00 0.00 57.16 58.57 1iti n GLU 114 Cb 0.94 -1.32 0.32 0.00 0.27 0.00 0.00 31.44 31.65 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 0.32 -0.29 4.31 4.21 -1.82 0.17 115.58 122.49 1iti h ASN 115 Ca 0.00 0.16 0.06 0.00 1.21 0.00 0.00 56.30 57.72 1iti h ASN 115 Cb 0.00 0.14 -0.05 0.00 -1.12 0.00 0.00 38.32 37.29 1iti h ASN 115 CO 0.00 -0.02 -0.05 0.15 -1.29 0.00 0.00 177.43 176.22 1iti h PHE 116 N 0.39 -0.12 0.00 1.19 3.04 -0.57 0.27 116.94 121.14 1iti h PHE 116 Ca 0.57 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.54 1iti h PHE 116 Cb 1.10 0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.70 1iti h PHE 116 CO -0.14 -0.10 0.00 -0.07 -2.02 0.00 0.00 178.31 175.98 1iti h LEU 117 N 0.02 0.00 0.01 0.59 3.38 0.15 -1.84 115.31 117.63 1iti h LEU 117 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1iti h LEU 117 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1iti h LEU 117 CO -0.28 0.00 -0.01 -0.08 0.09 0.00 0.00 178.44 178.16 1iti h GLU 118 N 0.00 -0.02 -0.99 1.13 4.57 0.69 -2.63 114.58 117.34 1iti h GLU 118 Ca 0.00 0.00 0.19 0.00 -1.18 0.00 0.00 59.36 58.37 1iti h GLU 118 Cb 0.29 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.79 1iti h GLU 118 CO 0.00 -0.01 0.61 0.07 -1.18 0.00 0.00 179.01 178.50 1iti h ARG 119 N -0.47 0.66 0.89 1.92 0.11 -1.03 -0.61 114.38 115.85 1iti h ARG 119 Ca -0.00 -0.04 -0.04 0.00 0.10 0.00 0.00 59.98 60.00 1iti h ARG 119 Cb 0.01 -0.15 0.01 0.00 1.11 0.00 0.00 29.97 30.95 1iti h ARG 119 CO 0.00 0.44 -0.43 1.25 0.10 0.00 0.00 179.97 181.33 1iti h LEU 120 N 0.68 -1.01 -0.65 0.08 6.46 -1.45 0.26 115.31 119.67 1iti h LEU 120 Ca 0.55 0.03 0.13 0.00 -0.12 0.00 0.00 57.88 58.48 1iti h LEU 120 Cb 0.97 0.26 -0.10 0.00 -0.73 0.00 0.00 40.66 41.06 1iti h LEU 120 CO -0.32 -0.69 0.11 0.50 -0.62 0.00 0.00 178.44 177.42 1iti h LYS 121 N -1.26 0.22 -0.66 1.25 3.64 -0.95 0.26 116.57 119.07 1iti h LYS 121 Ca -0.12 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1iti h LYS 121 Cb 0.92 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 1iti h LYS 121 CO 0.20 0.14 0.28 1.15 -2.27 0.00 0.00 179.45 178.95 1iti h THR 122 N 0.23 1.22 -0.08 1.00 2.02 -0.94 -1.78 112.91 114.58 1iti h THR 122 Ca 0.35 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1iti h THR 122 Cb 0.57 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1iti h THR 122 CO -0.47 0.28 -0.31 0.40 0.37 0.00 0.00 175.52 175.79 1iti h ILE 123 N 0.94 1.25 0.64 3.11 2.04 0.27 -2.30 117.51 123.47 1iti h ILE 123 Ca 0.22 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 1iti h ILE 123 Cb 0.16 1.53 0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1iti h ILE 123 CO -0.02 0.35 -0.31 0.24 0.00 0.00 0.00 178.15 178.42 1iti h MET 124 N 0.14 -0.82 -0.40 2.37 2.86 -0.01 0.73 114.93 119.79 1iti h MET 124 Ca 0.02 0.06 0.12 0.00 -2.06 0.00 0.00 59.70 57.83 1iti h MET 124 Cb 0.62 0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1iti h MET 124 CO 0.04 -0.51 0.31 0.00 1.06 0.00 0.00 176.91 177.82 1iti h ARG 125 N -1.13 0.00 -0.04 1.72 3.08 -1.46 1.96 114.38 118.51 1iti h ARG 125 Ca -0.09 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 1iti h ARG 125 Cb 0.69 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.75 1iti h ARG 125 CO 0.14 0.00 -0.42 1.49 -1.07 0.00 0.00 179.97 180.11 1iti h GLU 126 N 0.00 0.36 -0.01 0.04 4.22 -1.13 -3.20 114.58 114.86 1iti h GLU 126 Ca 0.19 -0.33 0.00 0.00 0.08 0.00 0.00 59.36 59.30 1iti h GLU 126 Cb 0.81 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1iti h GLU 126 CO -0.00 0.99 -0.12 1.63 -2.18 0.00 0.00 179.01 179.33 1iti n LYS 127 N -4.35 1.26 0.00 1.92 5.02 0.22 -3.85 118.16 118.39 1iti n LYS 127 Ca -0.09 -0.73 0.05 0.00 -2.02 0.00 0.00 58.31 55.52 1iti n LYS 127 Cb 0.57 -1.48 0.27 0.00 -0.02 0.00 0.00 35.03 34.36 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 -0.24 0.00 -1.63 2.13 9.36 0.65 -4.77 117.16 122.66 1iti n TYR 128 Ca 0.16 0.00 -0.45 0.00 3.32 0.00 0.00 57.90 60.93 1iti n TYR 128 Cb 0.35 -0.30 -0.02 0.00 -0.63 0.00 0.00 39.34 38.75 1iti n TYR 128 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1iti n SER 129 N -1.30 2.01 0.00 2.98 2.88 -1.25 -4.90 113.62 114.05 1iti n SER 129 Ca 0.05 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1iti n SER 129 Cb 0.09 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.19 1iti n SER 129 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1iti n LYS 130 N 1.13 0.00 0.31 -1.46 2.85 -1.26 -4.94 118.16 114.78 1iti n LYS 130 Ca 0.10 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.43 1iti n LYS 130 Cb 0.32 0.00 0.42 0.00 -0.65 0.00 0.00 35.03 35.12 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 -2.60 5.78 -0.37 0.00 7.64 -1.26 -5.13 113.62 117.67 1iti n SER 132 Ca -0.01 -3.20 0.14 0.00 1.01 0.00 0.00 58.87 56.82 1iti n SER 132 Cb 0.63 -0.93 0.62 0.00 -1.01 0.00 0.00 64.21 63.52 1iti n SER 132 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83