#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 0.28 -2.34 0.62 0.00 -1.26 -5.15 120.51 112.67 1iti n ALA 2 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1iti n ALA 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1iti n ALA 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1iti s GLU 3 N 0.00 1.56 0.00 0.00 -1.05 -1.26 -5.05 118.70 112.89 1iti s GLU 3 Ca 0.00 -1.82 0.00 0.00 -0.15 0.00 0.00 54.97 53.00 1iti s GLU 3 Cb 0.00 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 1iti s GLU 3 CO 0.00 -0.57 0.00 0.00 0.95 0.00 0.00 175.26 175.64 1iti n ALA 4 N -0.48 0.00 -1.67 -0.84 0.00 -1.26 -5.11 120.51 111.15 1iti n ALA 4 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.04 1iti n ALA 4 Cb 0.64 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 2.12 -0.56 0.00 8.25 -1.26 -4.84 115.22 118.93 1iti n HIS 5 Ca 0.00 0.45 -0.17 0.00 -0.26 0.00 0.00 57.72 57.74 1iti n HIS 5 Cb 0.06 -2.45 0.10 0.00 1.12 0.00 0.00 29.99 28.82 1iti n HIS 5 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1iti n LYS 6 N 1.95 1.86 -1.53 -0.41 2.85 -1.26 -4.98 118.16 116.64 1iti n LYS 6 Ca 0.11 -1.96 -0.45 0.00 -1.05 0.00 0.00 58.31 54.96 1iti n LYS 6 Cb 0.31 -1.77 -0.02 0.00 -0.65 0.00 0.00 35.03 32.91 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iti s ASP 8 N -0.71 7.02 0.03 0.00 -1.08 -1.26 -4.93 116.67 115.74 1iti s ASP 8 Ca 0.60 1.23 0.13 0.00 -0.52 0.00 0.00 52.55 54.00 1iti s ASP 8 Cb -0.74 -2.44 -0.18 0.00 -1.46 0.00 0.00 42.92 38.09 1iti s ASP 8 CO 0.59 -0.23 0.85 -0.29 0.52 0.00 0.00 175.17 176.61 1iti h ILE 9 N 4.92 0.89 -0.92 4.11 2.10 -2.02 -3.34 117.51 123.27 1iti h ILE 9 Ca -0.37 -2.60 0.11 0.00 1.08 0.00 0.00 64.86 63.08 1iti h ILE 9 Cb 1.18 2.38 -0.07 0.00 -1.09 0.00 0.00 36.82 39.22 1iti h ILE 9 CO 0.78 0.51 0.59 0.74 -1.08 0.00 0.00 178.15 179.69 1iti h THR 10 N 0.00 0.94 0.00 2.19 2.02 -2.00 0.31 112.91 116.37 1iti h THR 10 Ca -0.19 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 1iti h THR 10 Cb 1.82 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1iti h THR 10 CO 0.08 0.16 -0.08 -0.07 0.37 0.00 0.00 175.52 175.98 1iti h LEU 11 N 0.89 0.00 0.07 2.58 3.38 -1.99 -0.06 115.31 120.17 1iti h LEU 11 Ca 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 1iti h LEU 11 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1iti h LEU 11 CO -0.20 0.08 -0.04 -0.61 0.09 0.00 0.00 178.44 177.76 1iti h GLN 12 N 0.00 -0.10 -0.48 1.13 5.75 -0.57 -2.71 115.11 118.13 1iti h GLN 12 Ca -0.00 0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.62 1iti h GLN 12 Cb 0.24 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 1iti h GLN 12 CO 0.01 -0.06 0.34 1.05 -2.65 0.00 0.00 178.83 177.51 1iti h GLU 13 N -0.68 0.14 0.23 1.69 4.11 -1.43 -0.54 114.58 118.10 1iti h GLU 13 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1iti h GLU 13 Cb 0.08 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1iti h GLU 13 CO 0.02 0.09 -0.11 0.82 0.07 0.00 0.00 179.01 179.89 1iti h ILE 14 N 0.14 0.83 -0.64 -1.06 2.04 -1.09 -2.43 117.51 115.30 1iti h ILE 14 Ca 0.23 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1iti h ILE 14 Cb 0.72 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1iti h ILE 14 CO -0.03 0.10 0.33 0.40 0.00 0.00 0.00 178.15 178.95 1iti h ILE 15 N -0.56 1.21 -0.97 -0.67 2.04 -1.01 -2.03 117.51 115.52 1iti h ILE 15 Ca -0.03 -0.57 0.18 0.00 1.00 0.00 0.00 64.86 65.44 1iti h ILE 15 Cb 0.41 0.42 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 1iti h ILE 15 CO 0.05 0.24 0.61 0.11 0.00 0.00 0.00 178.15 179.16 1iti h LYS 16 N 0.87 0.69 -0.18 2.37 1.57 -1.04 -0.62 116.57 120.23 1iti h LYS 16 Ca 0.22 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1iti h LYS 16 Cb 0.08 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1iti h LYS 16 CO -0.03 0.45 -0.12 1.15 -0.57 0.00 0.00 179.45 180.33 1iti h THR 17 N 0.71 1.32 -0.77 -0.16 2.02 -0.87 -2.74 112.91 112.42 1iti h THR 17 Ca 0.52 -1.22 0.18 0.00 0.77 0.00 0.00 66.41 66.66 1iti h THR 17 Cb 0.88 1.73 -0.12 0.00 -1.74 0.00 0.00 68.15 68.89 1iti h THR 17 CO -0.29 0.37 0.14 -0.07 0.37 0.00 0.00 175.52 176.04 1iti h LEU 18 N 0.08 -0.09 -0.07 2.58 3.38 -0.68 0.26 115.31 120.76 1iti h LEU 18 Ca 0.04 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1iti h LEU 18 Cb 0.63 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1iti h LEU 18 CO 0.03 -0.10 0.03 0.78 0.09 0.00 0.00 178.44 179.28 1iti h ASN 19 N 0.21 0.10 -1.22 -0.43 4.21 -1.36 -1.80 115.58 115.29 1iti h ASN 19 Ca 0.44 -0.14 0.35 0.00 1.21 0.00 0.00 56.30 58.16 1iti h ASN 19 Cb 0.79 -0.03 -0.05 0.00 -1.12 0.00 0.00 38.32 37.92 1iti h ASN 19 CO -0.58 0.21 0.89 0.28 -1.29 0.00 0.00 177.43 176.94 1iti h SER 20 N -0.02 0.00 0.07 5.81 0.02 -0.66 0.12 113.55 118.90 1iti h SER 20 Ca 0.02 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 1iti h SER 20 Cb 0.14 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.69 1iti h SER 20 CO -0.00 0.00 -0.48 -0.07 -1.14 0.00 0.00 176.83 175.14 1iti h LEU 21 N 0.00 0.23 -1.86 5.07 3.38 -0.74 -3.25 115.31 118.14 1iti h LEU 21 Ca 0.58 -0.96 0.27 0.00 0.09 0.00 0.00 57.88 57.87 1iti h LEU 21 Cb 2.35 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.99 1iti h LEU 21 CO -0.01 1.23 0.78 0.71 0.09 0.00 0.00 178.44 181.24 1iti h THR 22 N -0.68 0.34 -0.04 0.22 1.35 -0.07 0.67 112.91 114.70 1iti h THR 22 Ca -0.09 0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 65.54 1iti h THR 22 Cb 1.34 0.42 0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1iti h THR 22 CO 0.07 0.00 -0.90 -0.33 -0.25 0.00 0.00 175.52 174.10 1iti h GLU 23 N 0.00 0.54 -5.81 4.72 5.08 -1.47 -3.43 114.58 114.20 1iti h GLU 23 Ca 0.44 -0.53 -0.62 0.00 -1.00 0.00 0.00 59.36 57.66 1iti h GLU 23 Cb 2.01 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 31.32 1iti h GLU 23 CO -0.00 1.15 -0.29 -1.14 -1.00 0.00 0.00 179.01 177.73 1iti s GLN 24 N -3.42 3.89 -0.33 2.33 2.00 0.23 -5.05 119.66 119.31 1iti s GLN 24 Ca -0.07 0.23 0.00 0.00 -2.00 0.00 0.00 55.36 53.52 1iti s GLN 24 Cb 0.09 -3.26 0.14 0.00 0.80 0.00 0.00 33.01 30.77 1iti s GLN 24 CO 0.88 0.60 0.29 0.15 -0.50 0.00 0.00 175.29 176.72 1iti s LYS 25 N -0.69 0.45 0.00 1.67 1.02 -1.26 -4.85 119.74 116.08 1iti s LYS 25 Ca 0.20 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1iti s LYS 25 Cb -0.15 -0.83 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 1iti s LYS 25 CO 0.09 -1.11 0.00 0.25 -0.92 0.00 0.00 175.35 173.66 1iti n THR 26 N 4.74 0.00 0.90 2.17 -2.24 -1.26 -4.95 114.28 113.63 1iti n THR 26 Ca 0.04 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.95 1iti n THR 26 Cb 0.44 -1.51 0.56 0.00 -2.10 0.00 0.00 70.33 67.72 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 0.01 0.00 3.22 -0.00 -1.26 -3.25 117.00 115.72 1iti n LEU 27 Ca 0.00 0.50 0.02 0.00 -0.00 0.00 0.00 56.01 56.53 1iti n LEU 27 Cb 0.00 -0.50 0.09 0.00 -0.00 0.00 0.00 43.42 43.01 1iti n LEU 27 CO 0.00 -0.05 0.34 0.00 -0.00 0.00 0.00 177.39 177.68 1iti h THR 29 N 0.00 1.24 0.00 0.00 1.35 -1.94 -3.23 112.91 110.32 1iti h THR 29 Ca 0.00 -2.96 0.00 0.00 -0.55 0.00 0.00 66.41 62.90 1iti h THR 29 Cb 0.00 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1iti h THR 29 CO 0.00 0.78 0.00 -0.62 -0.25 0.00 0.00 175.52 175.43 1iti n GLU 30 N -3.31 0.11 -0.42 4.72 1.02 -0.47 -4.12 120.64 118.16 1iti n GLU 30 Ca -0.12 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 56.96 1iti n GLU 30 Cb 1.01 -1.47 0.04 0.00 -0.02 0.00 0.00 31.44 31.00 1iti n GLU 30 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1iti n LEU 31 N -0.97 0.00 -3.44 -4.62 4.77 -1.22 -5.04 117.00 106.47 1iti n LEU 31 Ca 0.02 -0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 55.55 1iti n LEU 31 Cb 0.01 -0.20 -0.11 0.00 -2.33 0.00 0.00 43.42 40.79 1iti n LEU 31 CO 0.02 -0.69 -0.15 0.42 -1.33 0.00 0.00 177.39 175.66 1iti s THR 32 N -1.51 -0.42 0.70 -5.08 -4.23 -1.26 -4.25 115.64 99.58 1iti s THR 32 Ca 0.15 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.49 1iti s THR 32 Cb -0.00 -0.74 0.08 0.00 1.34 0.00 0.00 72.50 73.17 1iti s THR 32 CO 0.11 -0.20 0.98 0.68 -0.54 0.00 0.00 174.62 175.65 1iti s VAL 33 N 2.40 2.31 -0.22 2.29 -7.23 -0.89 -4.80 120.40 114.25 1iti s VAL 33 Ca 0.09 -0.41 -0.26 0.00 -1.81 0.00 0.00 61.98 59.59 1iti s VAL 33 Cb -0.16 -2.90 -0.00 0.00 0.56 0.00 0.00 36.38 33.88 1iti s VAL 33 CO -0.15 0.00 0.90 -0.89 -0.31 0.00 0.00 175.10 174.65 1iti s THR 34 N -3.17 4.79 1.21 5.32 2.01 -1.26 -1.77 115.64 122.77 1iti s THR 34 Ca 0.62 1.74 -0.15 0.00 0.31 0.00 0.00 61.69 64.22 1iti s THR 34 Cb -0.09 -4.19 0.30 0.00 0.01 0.00 0.00 72.50 68.53 1iti s THR 34 CO 0.44 -0.08 1.01 -0.62 -0.69 0.00 0.00 174.62 174.68 1iti s ASP 35 N 1.25 0.61 0.00 3.53 2.15 -1.25 -4.85 116.67 118.11 1iti s ASP 35 Ca 0.39 1.33 0.00 0.00 0.43 0.00 0.00 52.55 54.70 1iti s ASP 35 Cb -0.16 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 1iti s ASP 35 CO 0.08 -4.40 0.00 2.30 -0.17 0.00 0.00 175.17 172.98 1iti n ILE 36 N -5.04 0.00 1.38 4.11 -5.35 -1.26 -4.71 119.36 108.49 1iti n ILE 36 Ca 0.04 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.64 1iti n ILE 36 Cb 0.56 0.00 0.67 0.00 -1.74 0.00 0.00 39.64 39.13 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 -1.04 0.00 0.15 4.28 3.72 -1.26 -2.68 117.46 120.63 1iti n PHE 37 Ca 0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 1iti n PHE 37 Cb 0.00 -0.08 0.23 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.08 2.91 -2.67 4.37 0.00 -1.26 -4.19 120.51 118.59 1iti n ALA 38 Ca 0.16 -1.02 -0.04 0.00 0.00 0.00 0.00 53.44 52.54 1iti n ALA 38 Cb 0.11 -1.02 0.11 0.00 0.00 0.00 0.00 19.45 18.65 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 0.63 1.83 -3.04 0.00 0.00 -1.09 -4.94 120.51 113.90 1iti n ALA 39 Ca 0.17 -1.04 -0.45 0.00 0.00 0.00 0.00 53.44 52.12 1iti n ALA 39 Cb 0.63 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.06 6.57 0.00 0.00 0.15 -1.25 -4.91 113.70 113.19 1iti s SER 40 Ca 0.13 -2.04 0.00 0.00 0.70 0.00 0.00 55.95 54.74 1iti s SER 40 Cb 0.39 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1iti s SER 40 CO -0.10 -0.98 0.00 0.29 1.20 0.00 0.00 173.24 173.64 1iti n LYS 41 N 6.00 0.00 0.06 5.44 5.02 -1.26 -4.76 118.16 128.66 1iti n LYS 41 Ca 0.15 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.55 1iti n LYS 41 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.46 1iti n LYS 41 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1iti n ASP 42 N 0.00 0.61 -4.69 4.39 5.68 -1.26 -4.91 116.55 116.37 1iti n ASP 42 Ca 0.00 0.13 -0.57 0.00 -0.50 0.00 0.00 54.79 53.85 1iti n ASP 42 Cb 0.00 0.83 -0.07 0.00 -1.14 0.00 0.00 41.12 40.74 1iti n ASP 42 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1iti n THR 43 N -2.41 0.25 -2.44 2.12 -2.24 -1.26 -4.94 114.28 103.36 1iti n THR 43 Ca -0.00 -0.04 -0.18 0.00 -2.27 0.00 0.00 64.05 61.55 1iti n THR 43 Cb 0.52 -1.12 0.10 0.00 -2.10 0.00 0.00 70.33 67.73 1iti n THR 43 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1iti n THR 44 N 4.24 0.00 -0.29 4.28 -2.24 -1.26 -4.74 114.28 114.26 1iti n THR 44 Ca 0.25 -1.16 0.12 0.00 -2.27 0.00 0.00 64.05 60.99 1iti n THR 44 Cb 0.13 -1.07 0.28 0.00 -2.10 0.00 0.00 70.33 67.56 1iti n THR 44 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1iti h GLU 45 N 0.00 0.30 0.04 -0.78 5.08 -1.98 0.18 114.58 117.42 1iti h GLU 45 Ca -0.26 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1iti h GLU 45 Cb 0.93 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1iti h GLU 45 CO 0.27 0.20 -0.25 0.87 -1.00 0.00 0.00 179.01 179.09 1iti h LYS 46 N 0.31 -0.34 -0.10 2.33 1.79 -2.00 0.15 116.57 118.72 1iti h LYS 46 Ca 0.53 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 59.05 1iti h LYS 46 Cb 1.02 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1iti h LYS 46 CO -0.57 -0.22 0.09 0.93 -1.08 0.00 0.00 179.45 178.60 1iti h GLU 47 N -0.35 0.00 -0.07 3.15 4.39 -1.66 -1.88 114.58 118.16 1iti h GLU 47 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1iti h GLU 47 Cb 0.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1iti h GLU 47 CO -0.15 0.00 0.02 1.15 -1.16 0.00 0.00 179.01 178.87 1iti h THR 48 N 0.00 1.20 0.00 1.13 2.02 0.15 -1.64 112.91 115.76 1iti h THR 48 Ca 0.05 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 1iti h THR 48 Cb 0.24 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1iti h THR 48 CO -0.00 0.17 -0.19 -0.26 0.37 0.00 0.00 175.52 175.61 1iti h PHE 49 N -0.11 0.00 0.29 3.16 0.04 -0.01 -2.39 116.94 117.91 1iti h PHE 49 Ca 0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1iti h PHE 49 Cb 0.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1iti h PHE 49 CO 0.01 0.19 -0.14 0.00 -0.60 0.00 0.00 178.31 177.77 1iti h ARG 51 N -0.59 0.17 0.27 0.00 3.08 -1.29 0.15 114.38 116.17 1iti h ARG 51 Ca -0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1iti h ARG 51 Cb 0.29 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1iti h ARG 51 CO 0.06 0.11 -0.13 0.00 -1.07 0.00 0.00 179.97 178.95 1iti h ALA 52 N 1.51 -0.37 -0.66 0.04 0.00 -1.34 -2.54 119.26 115.90 1iti h ALA 52 Ca 0.64 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 1iti h ALA 52 Cb 2.08 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.98 1iti h ALA 52 CO -0.19 -0.64 0.16 0.00 0.00 0.00 0.00 179.25 178.58 1iti h ALA 53 N 0.21 0.87 -0.77 0.00 0.00 -0.35 -2.62 119.26 116.59 1iti h ALA 53 Ca -0.04 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 54.80 1iti h ALA 53 Cb 0.37 -0.25 -0.11 0.00 0.00 0.00 0.00 17.79 17.79 1iti h ALA 53 CO 0.06 0.58 0.23 1.15 0.00 0.00 0.00 179.25 181.27 1iti h THR 54 N 0.98 0.52 0.51 0.00 2.02 -0.84 0.38 112.91 116.46 1iti h THR 54 Ca 0.21 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 1iti h THR 54 Cb 0.36 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1iti h THR 54 CO 0.00 0.06 -0.24 0.58 0.37 0.00 0.00 175.52 176.28 1iti h VAL 55 N 0.31 0.00 -1.24 3.16 2.07 -1.14 -2.72 116.25 116.69 1iti h VAL 55 Ca 0.44 -0.27 0.36 0.00 0.82 0.00 0.00 66.70 68.06 1iti h VAL 55 Cb 0.77 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1iti h VAL 55 CO -0.51 0.00 0.87 -0.07 0.02 0.00 0.00 177.57 177.89 1iti h LEU 56 N -0.95 0.09 0.52 2.57 3.38 -1.09 -0.48 115.31 119.35 1iti h LEU 56 Ca -0.07 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1iti h LEU 56 Cb 0.52 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.29 1iti h LEU 56 CO 0.11 0.00 -0.25 -0.09 0.09 0.00 0.00 178.44 178.31 1iti h ARG 57 N 0.07 -0.68 0.00 1.13 2.43 -0.06 -2.16 114.38 115.12 1iti h ARG 57 Ca 0.62 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.84 1iti h ARG 57 Cb 2.29 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 32.00 1iti h ARG 57 CO -0.08 -0.45 0.00 0.00 -1.51 0.00 0.00 179.97 177.93 1iti n GLN 58 N -4.12 0.16 0.00 0.20 10.64 -0.49 -1.70 117.38 122.07 1iti n GLN 58 Ca -0.09 0.11 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 1iti n GLN 58 Cb 0.28 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.16 1iti n GLN 58 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1iti n PHE 59 N -1.15 0.00 0.73 2.61 7.35 -0.31 -3.58 117.46 123.11 1iti n PHE 59 Ca 0.04 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.81 1iti n PHE 59 Cb 0.04 -0.24 0.40 0.00 0.35 0.00 0.00 39.48 40.03 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 -1.65 0.00 0.10 -5.13 0.18 -0.96 -1.61 117.16 108.08 1iti n TYR 60 Ca 0.00 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 1iti n TYR 60 Cb 0.00 -0.36 -0.15 0.00 -0.38 0.00 0.00 39.34 38.45 1iti n TYR 60 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 1iti h SER 61 N 0.00 0.65 0.00 9.48 0.02 -1.51 -3.08 113.55 119.12 1iti h SER 61 Ca 0.00 -0.93 -0.22 0.00 -0.84 0.00 0.00 61.79 59.80 1iti h SER 61 Cb 0.20 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1iti h SER 61 CO 0.00 1.59 -1.24 1.41 -1.14 0.00 0.00 176.83 177.45 1iti n HIS 62 N -3.89 0.98 -0.09 3.45 8.25 -1.14 -4.20 115.22 118.58 1iti n HIS 62 Ca -0.17 0.42 -0.06 0.00 -0.26 0.00 0.00 57.72 57.66 1iti n HIS 62 Cb 0.98 -1.07 0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.00 -0.28 -0.15 4.41 3.86 -1.51 0.39 115.15 120.88 1iti h HIS 63 Ca -0.33 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 58.96 1iti h HIS 63 Cb 1.24 0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.88 1iti h HIS 63 CO 0.06 -0.19 0.67 1.49 0.86 0.00 0.00 177.93 180.83 1iti h GLU 64 N -0.05 0.00 0.00 2.45 4.81 -1.71 1.25 114.58 121.32 1iti h GLU 64 Ca 0.17 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.19 1iti h GLU 64 Cb 0.31 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1iti h GLU 64 CO -0.38 0.00 -1.76 1.63 -0.73 0.00 0.00 179.01 177.77 1iti n LYS 65 N -2.87 0.64 -2.80 1.92 4.01 0.13 -4.91 118.16 114.28 1iti n LYS 65 Ca 0.02 0.12 -0.33 0.00 -0.51 0.00 0.00 58.31 57.61 1iti n LYS 65 Cb 0.75 -1.70 -0.06 0.00 -0.51 0.00 0.00 35.03 33.50 1iti n LYS 65 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1iti s ASP 66 N -5.57 6.87 -0.52 4.39 -1.08 0.43 -4.95 116.67 116.24 1iti s ASP 66 Ca -0.06 1.62 -0.03 0.00 -0.52 0.00 0.00 52.55 53.57 1iti s ASP 66 Cb 0.09 -2.51 0.19 0.00 -1.46 0.00 0.00 42.92 39.23 1iti s ASP 66 CO 0.83 -0.37 2.38 0.35 0.52 0.00 0.00 175.17 178.88 1iti n THR 67 N -0.74 3.29 -0.08 1.71 -2.24 -1.26 -4.47 114.28 110.48 1iti n THR 67 Ca 0.06 -2.92 -0.08 0.00 -2.27 0.00 0.00 64.05 58.84 1iti n THR 67 Cb 0.54 -1.42 -0.03 0.00 -2.10 0.00 0.00 70.33 67.32 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 0.28 0.50 -0.38 -0.78 1.74 -1.26 -4.39 116.66 112.37 1iti n ARG 68 Ca 0.47 0.35 0.04 0.00 -0.77 0.00 0.00 57.85 57.94 1iti n ARG 68 Cb 0.51 -1.55 0.18 0.00 -1.02 0.00 0.00 32.46 30.59 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 0.32 2.58 0.00 0.00 4.77 -1.26 -4.80 117.00 118.60 1iti n LEU 70 Ca 0.13 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1iti n LEU 70 Cb 0.63 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1iti n LEU 70 CO 0.14 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1iti n GLY 71 N 1.94 -1.07 0.00 -0.72 0.00 -1.25 -4.17 105.19 99.91 1iti n GLY 71 Ca -0.36 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 1.59 0.21 -1.97 4.61 0.00 -1.26 -4.99 120.51 118.69 1iti n ALA 72 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 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 0.99 0.00 0.00 0.00 177.50 178.49 1iti s THR 73 N -0.00 2.16 -0.08 0.00 2.01 -1.26 -5.02 115.64 113.45 1iti s THR 73 Ca 0.00 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.60 1iti s THR 73 Cb 0.00 -2.72 -0.25 0.00 0.01 0.00 0.00 72.50 69.55 1iti s THR 73 CO 0.00 0.00 0.54 0.00 -0.69 0.00 0.00 174.62 174.47 1iti n ALA 74 N -3.00 1.22 0.21 7.40 0.00 -1.26 -3.29 120.51 121.79 1iti n ALA 74 Ca 0.14 -0.68 0.09 0.00 0.00 0.00 0.00 53.44 52.99 1iti n ALA 74 Cb 0.60 -0.78 0.43 0.00 0.00 0.00 0.00 19.45 19.70 1iti n ALA 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1iti h GLN 75 N 0.03 0.00 0.00 0.00 -0.00 -1.99 -2.87 115.11 110.29 1iti h GLN 75 Ca -0.34 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.11 1iti h GLN 75 Cb 2.02 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 29.47 1iti h GLN 75 CO 0.09 0.26 -1.06 0.37 -0.00 0.00 0.00 178.83 178.48 1iti h GLN 76 N 0.00 0.00 -0.31 0.06 4.15 -1.88 -2.68 115.11 114.45 1iti h GLN 76 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 1iti h GLN 76 Cb 0.77 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.45 1iti h GLN 76 CO 0.03 0.70 -0.10 0.35 -1.93 0.00 0.00 178.83 177.88 1iti h PHE 77 N 0.00 0.55 0.00 3.99 3.57 -1.49 -2.13 116.94 121.43 1iti h PHE 77 Ca -0.08 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.30 1iti h PHE 77 Cb 1.70 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 1iti h PHE 77 CO 0.00 0.61 -0.28 1.25 -2.23 0.00 0.00 178.31 177.66 1iti h HIS 78 N 0.48 0.00 -0.98 0.41 2.76 -1.61 -2.75 115.15 113.47 1iti h HIS 78 Ca 0.09 0.00 0.28 0.00 -2.20 0.00 0.00 60.37 58.55 1iti h HIS 78 Cb 0.47 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.39 1iti h HIS 78 CO 0.02 0.66 0.81 -0.09 -1.30 0.00 0.00 177.93 178.03 1iti h ARG 79 N -1.00 0.00 0.00 5.26 2.43 -1.50 -0.09 114.38 119.48 1iti h ARG 79 Ca -0.06 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1iti h ARG 79 Cb 0.69 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1iti h ARG 79 CO -0.04 0.00 -0.04 1.25 -1.51 0.00 0.00 179.97 179.63 1iti h HIS 80 N 0.00 0.00 -0.76 2.20 2.76 -1.46 -3.08 115.15 114.82 1iti h HIS 80 Ca 0.47 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.80 1iti h HIS 80 Cb 2.09 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 30.94 1iti h HIS 80 CO 0.00 0.44 0.23 0.87 -1.30 0.00 0.00 177.93 178.17 1iti h LYS 81 N -1.00 0.31 -1.00 5.26 1.79 -0.84 0.27 116.57 121.37 1iti h LYS 81 Ca -0.01 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.49 1iti h LYS 81 Cb 0.45 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 30.97 1iti h LYS 81 CO -0.00 0.21 0.65 0.37 -1.08 0.00 0.00 179.45 179.59 1iti h GLN 82 N 0.32 1.21 0.89 3.15 4.15 -1.20 -1.62 115.11 122.01 1iti h GLN 82 Ca 0.43 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.73 1iti h GLN 82 Cb 0.73 -0.27 0.01 0.00 0.21 0.00 0.00 27.48 28.16 1iti h GLN 82 CO -0.49 0.80 -0.43 1.25 -1.93 0.00 0.00 178.83 178.04 1iti h LEU 83 N 1.25 -1.01 -0.98 -2.39 6.46 -0.39 -2.62 115.31 115.63 1iti h LEU 83 Ca 0.40 0.03 0.25 0.00 -0.12 0.00 0.00 57.88 58.44 1iti h LEU 83 Cb 0.03 0.26 -0.13 0.00 -0.73 0.00 0.00 40.66 40.09 1iti h LEU 83 CO -0.13 -0.68 0.55 0.40 -0.62 0.00 0.00 178.44 177.96 1iti h ILE 84 N -1.27 0.50 -0.18 4.05 1.08 -1.11 0.62 117.51 121.20 1iti h ILE 84 Ca -0.12 -0.18 0.05 0.00 -0.39 0.00 0.00 64.86 64.22 1iti h ILE 84 Cb 0.92 -0.06 -0.05 0.00 -3.07 0.00 0.00 36.82 34.55 1iti h ILE 84 CO 0.20 0.10 -0.13 0.03 -0.69 0.00 0.00 178.15 177.66 1iti h ARG 85 N 0.52 -0.13 -0.06 2.37 3.08 -0.96 0.19 114.38 119.39 1iti h ARG 85 Ca 0.63 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.72 1iti h ARG 85 Cb 1.23 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 1iti h ARG 85 CO -0.50 -0.09 -0.11 0.74 -1.07 0.00 0.00 179.97 178.95 1iti h PHE 86 N -0.13 -0.28 -0.72 3.04 0.04 -0.54 -0.48 116.94 117.86 1iti h PHE 86 Ca 0.11 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.95 1iti h PHE 86 Cb 0.29 0.13 -0.06 0.00 2.20 0.00 0.00 35.95 38.52 1iti h PHE 86 CO -0.27 -0.17 0.42 -0.07 -0.60 0.00 0.00 178.31 177.62 1iti h LEU 87 N -0.16 0.63 -1.07 1.54 3.38 -0.91 0.25 115.31 118.97 1iti h LEU 87 Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1iti h LEU 87 Cb 0.24 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1iti h LEU 87 CO -0.15 0.40 0.00 0.11 0.09 0.00 0.00 178.44 178.89 1iti h LYS 88 N 0.76 0.00 0.00 1.13 1.79 0.10 -1.48 116.57 118.87 1iti h LYS 88 Ca 0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1iti h LYS 88 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1iti h LYS 88 CO -0.18 0.00 -0.04 -2.13 -1.08 0.00 0.00 179.45 176.02 1iti n ARG 89 N -2.38 0.03 0.20 3.15 0.63 0.74 -3.83 116.66 115.20 1iti n ARG 89 Ca 0.01 0.27 0.10 0.00 -0.92 0.00 0.00 57.85 57.31 1iti n ARG 89 Cb 0.18 -0.82 0.55 0.00 0.45 0.00 0.00 32.46 32.83 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 -0.07 0.00 -0.31 6.15 8.10 -1.24 0.13 115.31 128.07 1iti h LEU 90 Ca 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.79 1iti h LEU 90 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.26 1iti h LEU 90 CO 0.00 0.00 -0.71 -0.78 -4.11 0.00 0.00 178.44 172.84 1iti h ASP 91 N 0.00 0.75 1.04 0.17 3.58 -1.42 -2.42 116.42 118.11 1iti h ASP 91 Ca 0.00 -0.47 -0.19 0.00 0.42 0.00 0.00 57.03 56.79 1iti h ASP 91 Cb 0.41 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 1iti h ASP 91 CO 0.00 1.24 -0.89 0.03 -2.88 0.00 0.00 179.24 176.73 1iti h ARG 92 N 0.45 0.00 0.59 0.28 2.47 -0.86 -3.09 114.38 114.21 1iti h ARG 92 Ca -0.03 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 1iti h ARG 92 Cb 1.30 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.63 1iti h ARG 92 CO 0.14 0.89 -0.28 -0.91 0.56 0.00 0.00 179.97 180.37 1iti h ASN 93 N 0.00 -0.67 -0.41 7.04 2.35 -1.43 0.36 115.58 122.83 1iti h ASN 93 Ca -0.01 0.01 0.08 0.00 -0.55 0.00 0.00 56.30 55.84 1iti h ASN 93 Cb 1.65 0.17 -0.09 0.00 0.05 0.00 0.00 38.32 40.10 1iti h ASN 93 CO 0.12 -0.27 -0.26 -0.07 -1.65 0.00 0.00 177.43 175.30 1iti h LEU 94 N -1.20 -0.86 0.00 1.61 3.38 -1.56 0.90 115.31 117.58 1iti h LEU 94 Ca -0.08 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1iti h LEU 94 Cb 0.61 0.43 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1iti h LEU 94 CO 0.13 -0.27 0.00 1.87 0.09 0.00 0.00 178.44 180.26 1iti n TRP 95 N -5.40 0.00 0.00 1.13 -0.00 -1.17 -3.10 117.44 108.90 1iti n TRP 95 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.52 1iti n TRP 95 Cb 0.32 -0.49 0.00 0.00 -0.00 0.00 0.00 31.31 31.13 1iti n TRP 95 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1iti n GLY 96 N 0.35 -0.90 0.00 5.87 0.00 0.31 -3.40 105.19 107.41 1iti n GLY 96 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1iti n GLY 96 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1iti n LEU 97 N -1.96 0.00 0.00 0.99 -0.00 -0.80 -3.05 117.00 112.18 1iti n LEU 97 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1iti n LEU 97 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1iti n LEU 97 CO 0.00 -0.07 0.01 0.00 -0.00 0.00 0.00 177.39 177.33 1iti n ALA 98 N -1.06 -0.01 -0.89 1.47 0.00 -1.18 -4.94 120.51 113.89 1iti n ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 2.07 0.57 3.50 0.00 0.00 -1.17 -4.97 105.19 105.17 1iti n GLY 99 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.12 0.04 0.99 1.43 -1.26 -4.87 118.68 119.13 1iti s LEU 100 Ca 0.00 -1.27 -0.27 0.00 -1.03 0.00 0.00 54.13 51.56 1iti s LEU 100 Cb 0.00 -2.48 -0.17 0.00 0.03 0.00 0.00 46.19 43.57 1iti s LEU 100 CO 0.00 -1.44 1.43 -1.13 0.23 0.00 0.00 176.35 175.45 1iti h ASN 101 N 9.52 -0.41 -3.36 2.29 -0.00 -1.98 -3.39 115.58 118.24 1iti h ASN 101 Ca -0.06 -0.09 -0.59 0.00 -0.00 0.00 0.00 56.30 55.56 1iti h ASN 101 Cb 1.04 0.11 -0.08 0.00 -0.00 0.00 0.00 38.32 39.38 1iti h ASN 101 CO 1.24 -0.15 0.59 -0.44 -0.00 0.00 0.00 177.43 178.68 1iti s SER 102 N -4.91 6.80 -0.44 1.15 0.01 -1.26 -4.90 113.70 110.16 1iti s SER 102 Ca -0.15 0.86 0.04 0.00 1.31 0.00 0.00 55.95 58.01 1iti s SER 102 Cb 0.03 -2.47 0.27 0.00 0.21 0.00 0.00 66.02 64.06 1iti s SER 102 CO 0.59 -0.71 1.04 0.00 0.41 0.00 0.00 173.24 174.56 1iti s PRO 104 N 0.45 3.22 -0.12 0.00 0.05 -1.26 -4.90 135.00 132.44 1iti s PRO 104 Ca 0.28 2.08 -0.09 0.00 0.05 0.00 0.00 61.00 63.32 1iti s PRO 104 Cb 0.24 -2.23 -0.04 0.00 0.05 0.00 0.00 34.50 32.51 1iti s PRO 104 CO -0.18 -1.08 0.18 0.54 0.05 0.00 0.00 177.00 176.52 1iti s VAL 105 N -1.39 5.42 0.00 -0.36 0.11 -1.26 -5.02 120.40 117.89 1iti s VAL 105 Ca 0.71 0.31 0.00 0.00 -2.93 0.00 0.00 61.98 60.07 1iti s VAL 105 Cb -0.37 -3.47 0.00 0.00 -1.53 0.00 0.00 36.38 31.02 1iti s VAL 105 CO 0.43 0.56 0.00 0.29 -3.33 0.00 0.00 175.10 173.05 1iti n LYS 106 N 2.38 0.00 -4.00 1.54 5.02 -1.26 -5.13 118.16 116.70 1iti n LYS 106 Ca -0.18 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.01 1iti n LYS 106 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.51 1iti n LYS 106 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1iti s GLU 107 N 1.54 1.71 0.00 1.97 2.02 -1.26 -5.18 118.70 119.50 1iti s GLU 107 Ca 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.59 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 -0.72 0.00 0.00 0.02 0.00 0.00 175.26 174.56 1iti n ALA 108 N -0.44 0.00 -1.16 5.21 0.00 -1.26 -4.97 120.51 117.88 1iti n ALA 108 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 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 -0.18 0.00 -3.98 0.00 9.92 -1.26 -4.85 116.55 116.20 1iti n ASP 109 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 1iti n ASP 109 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 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 0.62 0.87 -0.23 -1.24 1.11 -1.26 -3.85 119.66 115.67 1iti s GLN 110 Ca 0.00 -1.14 -0.10 0.00 0.01 0.00 0.00 55.36 54.13 1iti s GLN 110 Cb 0.00 0.30 0.09 0.00 -1.01 0.00 0.00 33.01 32.40 1iti s GLN 110 CO 0.00 -0.26 0.52 -1.54 0.01 0.00 0.00 175.29 174.02 1iti s SER 111 N -2.93 -0.65 0.26 5.90 1.04 -0.73 -4.58 113.70 112.01 1iti s SER 111 Ca 0.11 1.22 -0.31 0.00 0.48 0.00 0.00 55.95 57.45 1iti s SER 111 Cb 0.06 1.52 -0.12 0.00 0.10 0.00 0.00 66.02 67.57 1iti s SER 111 CO -0.06 -0.22 1.59 0.35 0.98 0.00 0.00 173.24 175.87 1iti n THR 112 N 5.05 0.77 -0.31 2.02 -2.24 -1.26 -2.10 114.28 116.20 1iti n THR 112 Ca -0.14 -0.19 0.35 0.00 -2.27 0.00 0.00 64.05 61.80 1iti n THR 112 Cb 0.52 -1.86 0.74 0.00 -2.10 0.00 0.00 70.33 67.63 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 5.11 0.00 0.00 3.22 5.85 -1.74 0.29 115.31 128.04 1iti h LEU 113 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1iti h LEU 113 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1iti h LEU 113 CO 0.82 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 180.13 1iti n GLU 114 N -4.05 0.00 -0.23 1.25 4.07 -1.26 -2.11 120.64 118.32 1iti n GLU 114 Ca 0.26 0.21 0.03 0.00 -0.06 0.00 0.00 57.16 57.60 1iti n GLU 114 Cb 1.29 -0.98 0.15 0.00 -0.06 0.00 0.00 31.44 31.83 1iti n GLU 114 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1iti h ASN 115 N 0.00 -0.02 -0.87 4.31 4.21 -1.84 0.16 115.58 121.53 1iti h ASN 115 Ca 0.00 0.13 0.21 0.00 1.21 0.00 0.00 56.30 57.86 1iti h ASN 115 Cb 0.00 0.19 -0.12 0.00 -1.12 0.00 0.00 38.32 37.27 1iti h ASN 115 CO 0.00 -0.03 0.34 0.15 -1.29 0.00 0.00 177.43 176.61 1iti h PHE 116 N 0.25 0.56 -0.18 1.19 3.04 -0.53 0.63 116.94 121.91 1iti h PHE 116 Ca 0.37 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 62.27 1iti h PHE 116 Cb 0.60 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 1iti h PHE 116 CO -0.27 -0.07 -0.30 -0.07 -2.02 0.00 0.00 178.31 175.59 1iti h LEU 117 N 0.36 0.35 0.12 0.59 3.38 -0.15 -2.43 115.31 117.52 1iti h LEU 117 Ca 0.54 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 1iti h LEU 117 Cb 1.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1iti h LEU 117 CO -0.54 0.64 -0.06 -0.08 0.09 0.00 0.00 178.44 178.49 1iti h GLU 118 N 0.30 -0.16 -1.15 1.13 4.81 0.85 0.44 114.58 120.80 1iti h GLU 118 Ca 0.04 0.01 0.32 0.00 -0.13 0.00 0.00 59.36 59.61 1iti h GLU 118 Cb 0.68 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.01 1iti h GLU 118 CO 0.05 -0.10 0.77 0.07 -0.73 0.00 0.00 179.01 179.07 1iti h ARG 119 N -0.18 0.21 0.67 1.92 0.11 -1.44 -0.51 114.38 115.16 1iti h ARG 119 Ca -0.02 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.02 1iti h ARG 119 Cb 0.12 -0.05 0.01 0.00 1.11 0.00 0.00 29.97 31.16 1iti h ARG 119 CO 0.03 0.14 -0.32 1.25 0.10 0.00 0.00 179.97 181.17 1iti h LEU 120 N 0.22 -0.76 -1.13 0.08 6.46 -1.19 -1.58 115.31 117.40 1iti h LEU 120 Ca 0.63 0.00 0.28 0.00 -0.12 0.00 0.00 57.88 58.67 1iti h LEU 120 Cb 1.96 0.20 -0.12 0.00 -0.73 0.00 0.00 40.66 41.96 1iti h LEU 120 CO -0.22 -0.39 0.63 0.50 -0.62 0.00 0.00 178.44 178.34 1iti h LYS 121 N -1.18 0.43 -0.20 1.25 3.64 0.67 0.20 116.57 121.38 1iti h LYS 121 Ca -0.09 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1iti h LYS 121 Cb 0.71 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1iti h LYS 121 CO 0.15 0.28 0.03 1.15 -2.27 0.00 0.00 179.45 178.79 1iti h THR 122 N 0.44 1.23 -0.83 1.00 2.02 -1.14 -2.74 112.91 112.89 1iti h THR 122 Ca 0.66 -0.76 0.20 0.00 0.77 0.00 0.00 66.41 67.28 1iti h THR 122 Cb 1.49 1.35 -0.12 0.00 -1.74 0.00 0.00 68.15 69.13 1iti h THR 122 CO -0.45 0.23 0.26 0.40 0.37 0.00 0.00 175.52 176.33 1iti h ILE 123 N 0.12 0.45 0.77 3.11 2.04 0.42 -0.45 117.51 123.96 1iti h ILE 123 Ca 0.06 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1iti h ILE 123 Cb 0.33 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1iti h ILE 123 CO 0.00 0.05 -0.42 0.24 0.00 0.00 0.00 178.15 178.03 1iti h MET 124 N 0.29 -1.06 -0.01 2.37 2.86 -1.21 0.24 114.93 118.42 1iti h MET 124 Ca 0.50 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.21 1iti h MET 124 Cb 0.92 0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 1iti h MET 124 CO -0.56 -0.70 0.58 0.00 1.06 0.00 0.00 176.91 177.29 1iti h ARG 125 N -1.10 0.00 0.05 1.72 2.47 -0.85 1.75 114.38 118.42 1iti h ARG 125 Ca -0.10 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.34 1iti h ARG 125 Cb 0.86 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.15 1iti h ARG 125 CO 0.14 0.00 -1.53 1.49 0.56 0.00 0.00 179.97 180.63 1iti h GLU 126 N 0.00 0.10 -0.19 0.04 4.81 0.20 -3.36 114.58 116.18 1iti h GLU 126 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1iti h GLU 126 Cb 1.16 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1iti h GLU 126 CO -0.00 1.08 0.00 1.63 -0.73 0.00 0.00 179.01 180.99 1iti n LYS 127 N -4.09 1.77 0.00 1.92 5.02 0.66 -4.08 118.16 119.37 1iti n LYS 127 Ca -0.32 -1.16 0.00 0.00 -2.02 0.00 0.00 58.31 54.80 1iti n LYS 127 Cb 0.82 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 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 0.39 0.00 -2.51 2.13 9.36 0.57 -4.82 117.16 122.29 1iti n TYR 128 Ca 0.16 -0.06 -0.42 0.00 3.32 0.00 0.00 57.90 60.90 1iti n TYR 128 Cb 0.34 -0.11 -0.03 0.00 -0.63 0.00 0.00 39.34 38.92 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 0.01 7.15 0.00 2.98 0.15 -1.26 -4.94 113.70 117.80 1iti s SER 129 Ca 0.00 1.89 0.00 0.00 0.70 0.00 0.00 55.95 58.54 1iti s SER 129 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1iti s SER 129 CO 0.00 -0.43 0.00 2.29 1.20 0.00 0.00 173.24 176.30 1iti n LYS 130 N 4.13 0.00 0.20 5.44 2.85 -1.26 -4.94 118.16 124.57 1iti n LYS 130 Ca 0.08 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.39 1iti n LYS 130 Cb 0.48 0.00 0.26 0.00 -0.65 0.00 0.00 35.03 35.11 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 -2.08 4.32 -0.35 0.00 7.64 -1.26 -5.14 113.62 116.75 1iti n SER 132 Ca -0.01 -2.21 0.15 0.00 1.01 0.00 0.00 58.87 57.80 1iti n SER 132 Cb 0.53 -0.86 0.64 0.00 -1.01 0.00 0.00 64.21 63.51 1iti n SER 132 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79