#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 0.00 -1.00 -1.84 0.00 -1.26 -5.04 120.51 111.37 1iti n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iti n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1iti n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1iti n GLU 3 N 0.00 0.00 -3.83 0.00 -0.58 -1.26 -5.05 120.64 109.93 1iti n GLU 3 Ca 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 1iti n GLU 3 Cb 0.03 -0.29 0.01 0.00 -0.57 0.00 0.00 31.44 30.61 1iti n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iti s ALA 4 N -2.48 -1.07 -0.38 0.62 0.00 -1.26 -5.09 121.76 112.09 1iti s ALA 4 Ca 0.00 -0.49 0.12 0.00 0.00 0.00 0.00 51.96 51.59 1iti s ALA 4 Cb 0.00 0.73 0.37 0.00 0.00 0.00 0.00 23.12 24.22 1iti s ALA 4 CO 0.00 -1.02 0.92 -2.39 0.00 0.00 0.00 175.76 173.28 1iti n HIS 5 N -0.52 -0.57 0.26 0.00 1.44 -1.26 -4.91 115.22 109.66 1iti n HIS 5 Ca -0.06 -3.05 0.11 0.00 -2.01 0.00 0.00 57.72 52.72 1iti n HIS 5 Cb 0.60 0.25 0.48 0.00 0.12 0.00 0.00 29.99 31.44 1iti n HIS 5 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1iti h LYS 6 N 2.90 0.00 -5.88 -1.40 1.57 -2.02 -3.37 116.57 108.37 1iti h LYS 6 Ca -0.02 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.17 1iti h LYS 6 Cb 1.07 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.31 1iti h LYS 6 CO 0.36 0.00 0.37 0.00 -0.57 0.00 0.00 179.45 179.62 1iti s ASP 8 N 1.20 6.81 0.17 0.00 -1.08 -1.26 -4.90 116.67 117.61 1iti s ASP 8 Ca 0.36 0.98 0.23 0.00 -0.52 0.00 0.00 52.55 53.60 1iti s ASP 8 Cb -0.16 -2.44 0.90 0.00 -1.46 0.00 0.00 42.92 39.76 1iti s ASP 8 CO 0.11 -0.55 1.70 0.00 0.52 0.00 0.00 175.17 176.96 1iti n ILE 9 N 5.32 0.71 0.18 4.11 3.06 -1.26 -3.45 119.36 128.03 1iti n ILE 9 Ca 0.06 0.08 -0.12 0.00 -2.50 0.00 0.00 62.75 60.27 1iti n ILE 9 Cb 0.48 -0.92 -0.07 0.00 0.54 0.00 0.00 39.64 39.67 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 0.42 -0.05 9.51 2.02 -2.00 -2.34 112.91 120.48 1iti h THR 10 Ca 0.00 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.53 1iti h THR 10 Cb 0.45 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1iti h THR 10 CO 0.00 0.09 0.28 -0.07 0.37 0.00 0.00 175.52 176.19 1iti h LEU 11 N -0.98 0.00 0.01 2.58 3.38 -1.99 -0.67 115.31 117.65 1iti h LEU 11 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1iti h LEU 11 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1iti h LEU 11 CO 0.08 0.00 -0.01 -0.61 0.09 0.00 0.00 178.44 178.00 1iti h GLN 12 N 0.00 -0.01 -0.43 1.13 4.15 -1.57 -2.76 115.11 115.61 1iti h GLN 12 Ca 0.02 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.57 1iti h GLN 12 Cb 0.58 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 1iti h GLN 12 CO -0.00 -0.01 0.53 1.05 -1.93 0.00 0.00 178.83 178.47 1iti h GLU 13 N -0.08 0.00 0.46 1.69 4.11 -1.17 -1.25 114.58 118.34 1iti h GLU 13 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1iti h GLU 13 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1iti h GLU 13 CO 0.00 0.00 -0.22 0.82 0.07 0.00 0.00 179.01 179.68 1iti h ILE 14 N 0.00 0.30 -0.50 -1.06 2.04 -1.19 -2.46 117.51 114.64 1iti h ILE 14 Ca 0.20 -0.55 0.10 0.00 1.00 0.00 0.00 64.86 65.61 1iti h ILE 14 Cb 1.25 0.45 -0.10 0.00 -0.74 0.00 0.00 36.82 37.69 1iti h ILE 14 CO -0.00 0.06 -0.17 0.40 0.00 0.00 0.00 178.15 178.44 1iti h ILE 15 N -1.04 0.42 -0.91 -0.67 2.04 -0.92 0.21 117.51 116.64 1iti h ILE 15 Ca -0.06 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.95 1iti h ILE 15 Cb 0.56 0.42 -0.10 0.00 -0.74 0.00 0.00 36.82 36.97 1iti h ILE 15 CO 0.10 0.00 0.51 0.11 0.00 0.00 0.00 178.15 178.88 1iti h LYS 16 N -0.05 0.69 -0.83 2.37 1.57 -1.51 0.75 116.57 119.56 1iti h LYS 16 Ca 0.24 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1iti h LYS 16 Cb 0.42 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1iti h LYS 16 CO -0.54 0.46 0.55 1.15 -0.57 0.00 0.00 179.45 180.50 1iti h THR 17 N 0.71 1.21 -0.96 -0.16 2.02 -0.11 -1.90 112.91 113.72 1iti h THR 17 Ca 0.50 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1iti h THR 17 Cb 0.71 -0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 1iti h THR 17 CO -0.36 0.20 0.61 -0.07 0.37 0.00 0.00 175.52 176.27 1iti h LEU 18 N 1.12 1.12 -0.29 2.58 3.38 -0.14 -2.38 115.31 120.69 1iti h LEU 18 Ca 0.31 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.24 1iti h LEU 18 Cb -0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.32 1iti h LEU 18 CO -0.07 0.83 0.16 0.78 0.09 0.00 0.00 178.44 180.24 1iti h ASN 19 N 1.31 0.25 -0.66 -0.43 4.21 -0.75 -2.19 115.58 117.31 1iti h ASN 19 Ca 0.35 0.01 0.09 0.00 1.21 0.00 0.00 56.30 57.95 1iti h ASN 19 Cb -0.11 -0.05 -0.07 0.00 -1.12 0.00 0.00 38.32 36.98 1iti h ASN 19 CO -0.07 0.19 0.31 0.28 -1.29 0.00 0.00 177.43 176.84 1iti h SER 20 N 0.33 0.38 -0.37 5.81 0.02 -1.07 -1.62 113.55 117.03 1iti h SER 20 Ca 0.12 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.20 1iti h SER 20 Cb 0.01 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.49 1iti h SER 20 CO -0.07 0.22 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.74 1iti h LEU 21 N 0.53 -0.23 -0.59 5.07 3.38 -1.05 -1.24 115.31 121.17 1iti h LEU 21 Ca 0.33 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.49 1iti h LEU 21 Cb 0.35 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 1iti h LEU 21 CO -0.27 -0.08 0.18 0.71 0.09 0.00 0.00 178.44 179.08 1iti h THR 22 N 0.06 0.72 -1.03 0.22 1.35 -0.97 0.17 112.91 113.43 1iti h THR 22 Ca 0.18 -0.12 0.27 0.00 -0.55 0.00 0.00 66.41 66.19 1iti h THR 22 Cb 0.27 0.35 -0.07 0.00 -1.73 0.00 0.00 68.15 66.96 1iti h THR 22 CO -0.34 0.06 0.69 -0.33 -0.25 0.00 0.00 175.52 175.35 1iti h GLU 23 N 0.34 0.28 -5.94 4.72 4.39 -0.86 -3.38 114.58 114.13 1iti h GLU 23 Ca 0.30 -0.02 -0.62 0.00 0.34 0.00 0.00 59.36 59.37 1iti h GLU 23 Cb 0.41 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.94 1iti h GLU 23 CO -0.34 0.18 -0.28 -0.65 -1.16 0.00 0.00 179.01 176.76 1iti s GLN 24 N -5.33 3.77 -0.39 2.33 -0.21 0.59 -5.05 119.66 115.37 1iti s GLN 24 Ca -0.08 0.23 0.04 0.00 0.02 0.00 0.00 55.36 55.57 1iti s GLN 24 Cb 0.24 -3.17 0.16 0.00 1.00 0.00 0.00 33.01 31.24 1iti s GLN 24 CO 0.79 0.69 0.42 0.15 -2.12 0.00 0.00 175.29 175.22 1iti s LYS 25 N -1.24 0.72 0.00 2.91 1.02 -1.26 -4.90 119.74 116.99 1iti s LYS 25 Ca 0.23 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.25 1iti s LYS 25 Cb -0.15 -0.68 0.00 0.00 -0.52 0.00 0.00 37.83 36.48 1iti s LYS 25 CO 0.12 -1.23 0.00 0.25 -0.92 0.00 0.00 175.35 173.57 1iti n THR 26 N 3.99 0.00 1.38 2.17 -2.24 -1.26 -4.95 114.28 113.37 1iti n THR 26 Ca 0.14 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.07 1iti n THR 26 Cb 0.47 -1.45 0.74 0.00 -2.10 0.00 0.00 70.33 68.00 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 0.00 0.00 3.22 -0.00 -1.26 -3.39 117.00 115.57 1iti n LEU 27 Ca 0.00 0.31 0.04 0.00 -0.00 0.00 0.00 56.01 56.35 1iti n LEU 27 Cb 0.00 -0.31 0.21 0.00 -0.00 0.00 0.00 43.42 43.32 1iti n LEU 27 CO 0.00 -0.00 0.43 0.00 -0.00 0.00 0.00 177.39 177.82 1iti h THR 29 N 0.00 0.92 0.00 0.00 1.35 -1.95 -3.25 112.91 109.97 1iti h THR 29 Ca 0.00 -2.46 -0.01 0.00 -0.55 0.00 0.00 66.41 63.40 1iti h THR 29 Cb 0.00 2.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1iti h THR 29 CO 0.00 0.52 -0.03 -0.33 -0.25 0.00 0.00 175.52 175.44 1iti h GLU 30 N 0.00 0.00 0.00 4.72 5.08 -1.58 -3.38 114.58 119.42 1iti h GLU 30 Ca -0.10 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1iti h GLU 30 Cb 1.62 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.92 1iti h GLU 30 CO 0.07 0.03 -0.04 1.28 -1.00 0.00 0.00 179.01 179.35 1iti n LEU 31 N -3.22 0.00 -3.43 1.33 4.77 -1.23 -5.01 117.00 110.21 1iti n LEU 31 Ca -0.02 -0.22 -0.15 0.00 -0.03 0.00 0.00 56.01 55.59 1iti n LEU 31 Cb 0.18 -0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 40.92 1iti n LEU 31 CO 0.25 -1.78 -0.16 0.42 -1.33 0.00 0.00 177.39 174.79 1iti s THR 32 N -1.29 -0.42 1.04 -5.08 -4.23 -1.26 -4.38 115.64 100.01 1iti s THR 32 Ca 0.17 -0.17 -0.17 0.00 -1.18 0.00 0.00 61.69 60.33 1iti s THR 32 Cb -0.03 -0.78 0.23 0.00 1.34 0.00 0.00 72.50 73.27 1iti s THR 32 CO 0.14 -0.23 1.28 0.68 -0.54 0.00 0.00 174.62 175.94 1iti s VAL 33 N 2.40 1.89 -0.36 2.29 -7.23 0.31 -4.69 120.40 115.00 1iti s VAL 33 Ca 0.09 0.00 -0.19 0.00 -1.81 0.00 0.00 61.98 60.07 1iti s VAL 33 Cb -0.15 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 33.92 1iti s VAL 33 CO -0.17 0.00 0.56 -0.89 -0.31 0.00 0.00 175.10 174.28 1iti s THR 34 N -3.69 4.97 0.00 5.32 2.01 -1.26 -0.26 115.64 122.73 1iti s THR 34 Ca 0.74 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.79 1iti s THR 34 Cb -0.05 -4.02 -0.08 0.00 0.01 0.00 0.00 72.50 68.36 1iti s THR 34 CO 0.54 -0.29 1.91 -0.62 -0.69 0.00 0.00 174.62 175.47 1iti s ASP 35 N 1.80 6.44 0.13 3.53 -1.08 -1.26 -4.78 116.67 121.45 1iti s ASP 35 Ca 0.20 2.53 0.22 0.00 -0.52 0.00 0.00 52.55 54.98 1iti s ASP 35 Cb -0.15 -2.53 -0.10 0.00 -1.46 0.00 0.00 42.92 38.68 1iti s ASP 35 CO 0.14 -1.08 0.87 2.30 0.52 0.00 0.00 175.17 177.93 1iti n ILE 36 N 5.66 0.54 1.38 4.11 -5.35 -1.26 -3.84 119.36 120.60 1iti n ILE 36 Ca 0.20 -0.56 0.14 0.00 -0.27 0.00 0.00 62.75 62.26 1iti n ILE 36 Cb 0.42 -0.30 0.45 0.00 -1.74 0.00 0.00 39.64 38.47 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 -2.60 0.00 1.64 4.28 3.72 -1.26 -3.74 117.46 119.51 1iti n PHE 37 Ca -0.02 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.52 1iti n PHE 37 Cb 0.59 -0.05 0.81 0.00 -0.94 0.00 0.00 39.48 39.89 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 -0.15 2.51 -2.62 4.37 0.00 -1.25 -3.57 120.51 119.81 1iti n ALA 38 Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1iti n ALA 38 Cb 0.36 -1.47 0.05 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.11 2.79 -2.28 0.00 0.00 -1.24 -4.82 120.51 113.84 1iti n ALA 39 Ca 0.19 -1.92 -0.42 0.00 0.00 0.00 0.00 53.44 51.29 1iti n ALA 39 Cb 0.15 -0.76 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.35 6.99 0.00 0.00 0.15 -1.23 -4.85 113.70 112.41 1iti s SER 40 Ca 0.20 2.15 0.00 0.00 0.70 0.00 0.00 55.95 59.00 1iti s SER 40 Cb 0.33 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 1iti s SER 40 CO -0.08 -0.52 0.00 0.29 1.20 0.00 0.00 173.24 174.13 1iti n LYS 41 N 3.72 0.00 -0.44 5.44 5.02 -1.26 -4.93 118.16 125.72 1iti n LYS 41 Ca 0.09 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.44 1iti n LYS 41 Cb 0.45 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.70 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 -0.13 3.41 -4.66 4.39 5.68 -1.26 -4.86 116.55 119.12 1iti n ASP 42 Ca 0.00 -2.35 -0.39 0.00 -0.50 0.00 0.00 54.79 51.55 1iti n ASP 42 Cb 0.00 -0.50 -0.07 0.00 -1.14 0.00 0.00 41.12 39.41 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1iti s THR 43 N -1.81 5.13 0.00 2.12 -4.23 -1.26 -5.06 115.64 110.52 1iti s THR 43 Ca 0.33 0.87 0.00 0.00 -1.18 0.00 0.00 61.69 61.71 1iti s THR 43 Cb 0.22 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1iti s THR 43 CO 0.15 0.18 0.00 0.35 -0.54 0.00 0.00 174.62 174.76 1iti n THR 44 N 4.60 0.00 -0.09 3.99 -2.24 -1.26 -4.88 114.28 114.41 1iti n THR 44 Ca -0.06 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.49 1iti n THR 44 Cb 0.50 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.62 1iti n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iti n GLU 45 N 0.00 0.62 -0.28 -0.78 4.71 -1.26 -3.47 120.64 120.18 1iti n GLU 45 Ca 0.00 0.40 0.09 0.00 -0.01 0.00 0.00 57.16 57.64 1iti n GLU 45 Cb 0.00 -1.67 0.25 0.00 -1.01 0.00 0.00 31.44 29.01 1iti n GLU 45 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1iti h LYS 46 N -0.65 0.36 0.00 3.49 1.79 -2.00 1.05 116.57 120.61 1iti h LYS 46 Ca -0.46 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1iti h LYS 46 Cb 1.60 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.17 1iti h LYS 46 CO -0.17 0.24 0.00 0.93 -1.08 0.00 0.00 179.45 179.37 1iti h GLU 47 N 0.37 0.00 0.11 3.15 5.08 -1.93 -2.69 114.58 118.68 1iti h GLU 47 Ca 0.49 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.64 1iti h GLU 47 Cb 0.87 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.15 1iti h GLU 47 CO -0.51 0.00 -0.90 1.15 -1.00 0.00 0.00 179.01 177.76 1iti h THR 48 N 0.00 1.43 -0.42 1.13 2.02 0.10 -2.64 112.91 114.53 1iti h THR 48 Ca 0.00 -2.42 -0.14 0.00 0.77 0.00 0.00 66.41 64.62 1iti h THR 48 Cb 0.67 2.95 -0.01 0.00 -1.74 0.00 0.00 68.15 70.02 1iti h THR 48 CO 0.00 0.70 -0.28 -0.26 0.37 0.00 0.00 175.52 176.05 1iti h PHE 49 N -0.15 1.06 0.75 3.16 0.04 -0.98 -2.37 116.94 118.45 1iti h PHE 49 Ca -0.14 -0.28 -0.04 0.00 2.80 0.00 0.00 57.97 60.31 1iti h PHE 49 Cb 1.66 -0.24 0.01 0.00 2.20 0.00 0.00 35.95 39.57 1iti h PHE 49 CO 0.16 1.08 -0.36 0.00 -0.60 0.00 0.00 178.31 178.59 1iti h ARG 51 N -1.18 0.48 -0.03 0.00 3.08 -1.52 1.12 114.38 116.33 1iti h ARG 51 Ca -0.10 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 1iti h ARG 51 Cb 0.78 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1iti h ARG 51 CO 0.17 0.32 -0.30 0.00 -1.07 0.00 0.00 179.97 179.09 1iti h ALA 52 N 1.75 1.44 0.10 0.04 0.00 -1.18 -2.57 119.26 118.85 1iti h ALA 52 Ca 0.67 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1iti h ALA 52 Cb 1.38 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1iti h ALA 52 CO -0.49 0.41 -0.05 0.00 0.00 0.00 0.00 179.25 179.12 1iti h ALA 53 N 1.64 -0.13 -0.88 0.00 0.00 0.24 -2.55 119.26 117.58 1iti h ALA 53 Ca 0.01 -0.25 0.22 0.00 0.00 0.00 0.00 54.91 54.88 1iti h ALA 53 Cb 0.56 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.28 1iti h ALA 53 CO 0.04 -0.19 0.36 1.15 0.00 0.00 0.00 179.25 180.61 1iti h THR 54 N -0.90 0.46 0.42 0.00 2.02 -1.06 0.31 112.91 114.15 1iti h THR 54 Ca -0.01 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1iti h THR 54 Cb 0.54 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1iti h THR 54 CO 0.02 0.07 -0.20 0.58 0.37 0.00 0.00 175.52 176.36 1iti h VAL 55 N 0.37 0.00 -0.97 3.16 2.07 -1.51 -2.50 116.25 116.87 1iti h VAL 55 Ca 0.55 -0.10 0.28 0.00 0.82 0.00 0.00 66.70 68.25 1iti h VAL 55 Cb 1.04 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1iti h VAL 55 CO -0.54 0.00 0.80 -0.07 0.02 0.00 0.00 177.57 177.78 1iti h LEU 56 N -0.66 0.00 0.00 2.57 3.38 -0.95 -1.11 115.31 118.54 1iti h LEU 56 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1iti h LEU 56 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1iti h LEU 56 CO 0.09 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.16 1iti n ARG 57 N -3.93 0.00 0.00 1.13 1.74 0.10 -2.36 116.66 113.34 1iti n ARG 57 Ca 0.21 0.40 0.01 0.00 -0.77 0.00 0.00 57.85 57.70 1iti n ARG 57 Cb 1.13 -1.33 0.05 0.00 -1.02 0.00 0.00 32.46 31.28 1iti n ARG 57 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iti n GLN 58 N -1.71 0.04 0.00 5.56 -0.00 -0.89 -1.61 117.38 118.77 1iti n GLN 58 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 57.00 57.14 1iti n GLN 58 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 28.74 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 -1.15 0.00 1.09 2.61 7.35 -0.47 -2.64 117.46 124.25 1iti n PHE 59 Ca 0.01 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.81 1iti n PHE 59 Cb 0.01 -0.35 0.58 0.00 0.35 0.00 0.00 39.48 40.07 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 -0.01 -5.13 0.18 -1.02 -1.59 117.16 107.93 1iti n TYR 60 Ca 0.00 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.57 1iti n TYR 60 Cb 0.00 -0.27 -0.14 0.00 -0.38 0.00 0.00 39.34 38.55 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 -1.27 2.11 0.04 9.48 7.64 -0.63 -2.76 113.62 128.22 1iti n SER 61 Ca 0.11 0.16 0.12 0.00 1.01 0.00 0.00 58.87 60.27 1iti n SER 61 Cb 0.18 -0.80 0.14 0.00 -1.01 0.00 0.00 64.21 62.72 1iti n SER 61 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1iti n HIS 62 N -3.45 0.40 -0.09 1.43 8.25 -1.08 -4.09 115.22 116.58 1iti n HIS 62 Ca -0.34 0.12 -0.23 0.00 -0.26 0.00 0.00 57.72 57.00 1iti n HIS 62 Cb 1.04 -0.54 -0.12 0.00 1.12 0.00 0.00 29.99 31.49 1iti n HIS 62 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1iti n HIS 63 N -1.98 0.61 -0.21 4.41 8.25 -0.62 -3.67 115.22 122.00 1iti n HIS 63 Ca 0.03 0.20 -0.02 0.00 -0.26 0.00 0.00 57.72 57.67 1iti n HIS 63 Cb 0.42 -1.07 0.05 0.00 1.12 0.00 0.00 29.99 30.51 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 -0.58 -0.06 0.00 -0.41 4.81 -1.69 1.06 114.58 117.71 1iti h GLU 64 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1iti h GLU 64 Cb 1.66 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.06 1iti h GLU 64 CO -0.18 -0.04 0.00 0.87 -0.73 0.00 0.00 179.01 178.93 1iti h LYS 65 N -0.06 0.00 -6.23 1.92 1.57 -1.76 -3.43 116.57 108.58 1iti h LYS 65 Ca 0.29 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.51 1iti h LYS 65 Cb 0.51 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1iti h LYS 65 CO -0.67 0.00 0.03 0.34 -0.57 0.00 0.00 179.45 178.57 1iti s ASP 66 N -4.80 7.10 0.00 0.86 -1.08 0.37 -4.93 116.67 114.18 1iti s ASP 66 Ca 0.03 1.30 -0.04 0.00 -0.52 0.00 0.00 52.55 53.33 1iti s ASP 66 Cb 0.09 -2.39 -0.19 0.00 -1.46 0.00 0.00 42.92 38.97 1iti s ASP 66 CO 0.46 0.17 2.96 0.35 0.52 0.00 0.00 175.17 179.63 1iti n THR 67 N 2.19 2.46 -0.03 1.71 -2.24 -1.26 -4.22 114.28 112.88 1iti n THR 67 Ca -0.07 -1.15 -0.03 0.00 -2.27 0.00 0.00 64.05 60.53 1iti n THR 67 Cb 0.50 -1.84 -0.01 0.00 -2.10 0.00 0.00 70.33 66.88 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 2.37 0.20 -0.25 -0.78 5.12 -1.26 -4.58 116.66 117.48 1iti n ARG 68 Ca 0.31 0.15 0.10 0.00 -1.93 0.00 0.00 57.85 56.47 1iti n ARG 68 Cb 0.74 -0.93 0.26 0.00 -1.16 0.00 0.00 32.46 31.36 1iti n ARG 68 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iti h LEU 70 N 3.34 0.53 0.00 0.00 3.38 -1.81 -3.46 115.31 117.29 1iti h LEU 70 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1iti h LEU 70 Cb 0.76 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1iti h LEU 70 CO 0.00 0.81 0.00 0.61 0.09 0.00 0.00 178.44 179.95 1iti n GLY 71 N -0.24 -1.72 0.00 0.83 0.00 -1.26 -3.93 105.19 98.87 1iti n GLY 71 Ca -0.01 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 0.94 0.94 -1.06 4.61 0.00 -1.26 -4.95 120.51 119.72 1iti n ALA 72 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1iti n ALA 72 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.69 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 0.00 0.11 0.00 -2.24 -1.26 -4.90 114.28 104.96 1iti n THR 73 Ca 0.00 -0.47 0.11 0.00 -2.27 0.00 0.00 64.05 61.43 1iti n THR 73 Cb 0.00 -1.23 -0.00 0.00 -2.10 0.00 0.00 70.33 67.00 1iti n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iti n ALA 74 N -4.82 2.53 0.06 6.98 0.00 -1.26 -3.05 120.51 120.95 1iti n ALA 74 Ca -0.20 -0.23 -0.11 0.00 0.00 0.00 0.00 53.44 52.90 1iti n ALA 74 Cb 0.57 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.78 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 0.00 0.09 0.00 0.00 3.07 -2.00 -3.27 115.11 113.00 1iti h GLN 75 Ca 0.00 -0.16 -0.22 0.00 0.09 0.00 0.00 58.65 58.36 1iti h GLN 75 Cb 1.00 0.06 -0.03 0.00 0.08 0.00 0.00 27.48 28.58 1iti h GLN 75 CO 0.00 0.99 -1.12 1.96 0.09 0.00 0.00 178.83 180.75 1iti h GLN 76 N 0.03 0.00 -0.10 0.06 1.08 -1.91 -2.61 115.11 111.66 1iti h GLN 76 Ca -0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1iti h GLN 76 Cb 1.89 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.31 1iti h GLN 76 CO 0.14 0.89 0.05 0.35 -0.95 0.00 0.00 178.83 179.31 1iti h PHE 77 N 0.00 0.10 -0.03 2.96 3.57 -1.62 1.00 116.94 122.92 1iti h PHE 77 Ca -0.06 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 1iti h PHE 77 Cb 1.80 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.51 1iti h PHE 77 CO 0.00 0.06 -0.10 1.25 -2.23 0.00 0.00 178.31 177.30 1iti h HIS 78 N 0.12 0.15 -0.70 0.41 2.76 -1.66 -2.57 115.15 113.66 1iti h HIS 78 Ca 0.04 -0.06 0.19 0.00 -2.20 0.00 0.00 60.37 58.34 1iti h HIS 78 Cb -0.00 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 1iti h HIS 78 CO -0.08 0.73 0.49 -0.09 -1.30 0.00 0.00 177.93 177.68 1iti h ARG 79 N -0.47 0.08 0.00 5.26 2.43 -1.38 -1.16 114.38 119.14 1iti h ARG 79 Ca -0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1iti h ARG 79 Cb 0.73 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1iti h ARG 79 CO 0.02 0.05 -0.00 1.25 -1.51 0.00 0.00 179.97 179.78 1iti h HIS 80 N 0.08 -0.00 -0.72 2.20 2.76 -0.69 -3.09 115.15 115.69 1iti h HIS 80 Ca 0.34 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.66 1iti h HIS 80 Cb 1.22 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 30.08 1iti h HIS 80 CO -0.00 0.67 0.19 0.87 -1.30 0.00 0.00 177.93 178.36 1iti h LYS 81 N -0.69 0.28 -0.25 5.26 1.57 -0.82 -0.22 116.57 121.71 1iti h LYS 81 Ca -0.00 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1iti h LYS 81 Cb 0.68 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 1iti h LYS 81 CO 0.00 0.19 -0.09 0.37 -0.57 0.00 0.00 179.45 179.35 1iti h GLN 82 N 0.29 -0.04 -0.05 3.15 4.15 -1.43 -1.44 115.11 119.75 1iti h GLN 82 Ca 0.40 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.85 1iti h GLN 82 Cb 0.67 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.31 1iti h GLN 82 CO -0.48 -0.02 -0.52 1.25 -1.93 0.00 0.00 178.83 177.12 1iti h LEU 83 N -0.04 -1.63 -0.83 -2.39 6.46 -0.96 0.36 115.31 116.29 1iti h LEU 83 Ca 0.13 0.19 0.19 0.00 -0.12 0.00 0.00 57.88 58.27 1iti h LEU 83 Cb 0.23 0.63 -0.12 0.00 -0.73 0.00 0.00 40.66 40.67 1iti h LEU 83 CO -0.28 -0.50 0.31 0.40 -0.62 0.00 0.00 178.44 177.75 1iti h ILE 84 N -0.63 0.50 -0.84 4.05 1.08 -1.04 0.34 117.51 120.97 1iti h ILE 84 Ca 0.03 -0.12 0.03 0.00 -0.39 0.00 0.00 64.86 64.41 1iti h ILE 84 Cb 0.70 0.11 -0.05 0.00 -3.07 0.00 0.00 36.82 34.51 1iti h ILE 84 CO -0.39 0.07 0.54 -0.09 -0.69 0.00 0.00 178.15 177.59 1iti h ARG 85 N 0.36 1.03 -0.02 2.37 2.43 0.07 0.31 114.38 120.92 1iti h ARG 85 Ca 0.50 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1iti h ARG 85 Cb 0.90 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1iti h ARG 85 CO -0.52 0.68 0.00 0.74 -1.51 0.00 0.00 179.97 179.36 1iti h PHE 86 N 1.06 0.04 -0.36 2.20 0.04 0.14 -0.80 116.94 119.26 1iti h PHE 86 Ca 0.33 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.07 1iti h PHE 86 Cb -0.00 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1iti h PHE 86 CO -0.02 0.31 0.11 -0.07 -0.60 0.00 0.00 178.31 178.04 1iti h LEU 87 N -0.24 0.47 -0.63 1.54 3.38 -0.70 -0.62 115.31 118.51 1iti h LEU 87 Ca 0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1iti h LEU 87 Cb 0.30 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1iti h LEU 87 CO 0.00 0.46 0.00 0.11 0.09 0.00 0.00 178.44 179.10 1iti h LYS 88 N 0.51 0.00 0.00 1.13 1.57 -0.16 -2.00 116.57 117.62 1iti h LYS 88 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1iti h LYS 88 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1iti h LYS 88 CO -0.01 0.00 -0.01 -0.09 -0.57 0.00 0.00 179.45 178.78 1iti h ARG 89 N 0.00 0.00 -0.27 3.15 2.43 0.39 -3.26 114.38 116.82 1iti h ARG 89 Ca 0.00 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1iti h ARG 89 Cb 0.69 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1iti h ARG 89 CO 0.00 0.00 0.20 1.37 -1.51 0.00 0.00 179.97 180.03 1iti h LEU 90 N -0.21 0.00 -0.99 3.80 8.10 -1.58 -0.72 115.31 123.73 1iti h LEU 90 Ca 0.00 0.00 0.08 0.00 0.11 0.00 0.00 57.88 58.07 1iti h LEU 90 Cb 0.01 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.16 1iti h LEU 90 CO 0.00 0.00 0.63 -0.78 -4.11 0.00 0.00 178.44 174.18 1iti h ASP 91 N 0.00 0.99 0.85 0.17 1.82 -1.49 -1.05 116.42 117.72 1iti h ASP 91 Ca 0.13 0.02 -0.20 0.00 -0.39 0.00 0.00 57.03 56.58 1iti h ASP 91 Cb 0.53 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.33 1iti h ASP 91 CO -0.00 0.60 -0.95 0.03 -1.61 0.00 0.00 179.24 177.31 1iti h ARG 92 N 1.11 0.05 -0.18 0.28 2.47 -1.18 -3.07 114.38 113.85 1iti h ARG 92 Ca 0.44 -0.08 0.02 0.00 -1.26 0.00 0.00 59.98 59.11 1iti h ARG 92 Cb 0.25 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 1iti h ARG 92 CO -0.20 0.96 0.03 -0.91 0.56 0.00 0.00 179.97 180.41 1iti h ASN 93 N 0.02 -0.00 0.37 7.04 4.21 -0.80 0.72 115.58 127.13 1iti h ASN 93 Ca -0.03 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 1iti h ASN 93 Cb 1.66 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.90 1iti h ASN 93 CO 0.13 0.02 -0.18 -0.07 -1.29 0.00 0.00 177.43 176.05 1iti h LEU 94 N 0.10 -0.42 -0.32 1.61 3.38 -1.45 -2.15 115.31 116.06 1iti h LEU 94 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1iti h LEU 94 Cb 0.08 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1iti h LEU 94 CO -0.11 -0.25 0.30 1.87 0.09 0.00 0.00 178.44 180.33 1iti n TRP 95 N -3.59 0.16 -0.00 1.13 -0.00 -1.16 -2.05 117.44 111.93 1iti n TRP 95 Ca -0.06 0.08 -0.00 0.00 -0.00 0.00 0.00 57.50 57.52 1iti n TRP 95 Cb 0.19 -0.39 -0.00 0.00 -0.00 0.00 0.00 31.31 31.11 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 -0.00 1.19 5.87 0.00 -0.20 -2.94 103.07 106.99 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 -2.24 0.00 -0.03 3.11 -0.00 -0.88 -2.73 117.00 114.22 1iti n LEU 97 Ca -0.00 0.11 -0.02 0.00 -0.00 0.00 0.00 56.01 56.10 1iti n LEU 97 Cb 0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 43.42 43.30 1iti n LEU 97 CO 0.00 -0.11 -0.16 0.00 -0.00 0.00 0.00 177.39 177.12 1iti h ALA 98 N 1.95 0.00 -2.41 1.47 0.00 -1.47 -3.49 119.26 115.31 1iti h ALA 98 Ca 0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 1iti h ALA 98 Cb 0.01 0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.05 1iti h ALA 98 CO 0.00 0.23 -0.32 0.41 0.00 0.00 0.00 179.25 179.57 1iti n GLY 99 N 1.69 -0.01 3.40 0.00 0.00 -1.11 -4.96 105.19 104.21 1iti n GLY 99 Ca -0.03 -0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.72 5.13 0.04 0.99 1.43 -1.26 -4.93 118.68 116.35 1iti s LEU 100 Ca 0.13 -1.27 -0.27 0.00 -1.03 0.00 0.00 54.13 51.68 1iti s LEU 100 Cb -0.06 -2.35 -0.15 0.00 0.03 0.00 0.00 46.19 43.67 1iti s LEU 100 CO 0.15 -1.16 1.36 -1.13 0.23 0.00 0.00 176.35 175.81 1iti h ASN 101 N 9.24 -0.82 -3.31 2.29 -0.73 -1.99 -3.41 115.58 116.85 1iti h ASN 101 Ca -0.29 0.03 -0.57 0.00 1.87 0.00 0.00 56.30 57.34 1iti h ASN 101 Cb 1.08 0.21 -0.07 0.00 0.27 0.00 0.00 38.32 39.82 1iti h ASN 101 CO 1.10 -0.57 -0.06 -0.44 -0.37 0.00 0.00 177.43 177.09 1iti s SER 102 N -3.52 6.83 -0.44 1.15 0.01 -1.26 -4.97 113.70 111.50 1iti s SER 102 Ca -0.14 0.99 0.04 0.00 1.31 0.00 0.00 55.95 58.15 1iti s SER 102 Cb 0.01 -2.33 0.26 0.00 0.21 0.00 0.00 66.02 64.18 1iti s SER 102 CO 0.42 0.02 1.03 0.00 0.41 0.00 0.00 173.24 175.13 1iti s PRO 104 N 0.47 3.07 0.07 0.00 0.05 -1.26 -4.93 135.00 132.46 1iti s PRO 104 Ca 0.29 2.01 -0.12 0.00 0.05 0.00 0.00 61.00 63.22 1iti s PRO 104 Cb 0.24 -2.10 -0.06 0.00 0.05 0.00 0.00 34.50 32.63 1iti s PRO 104 CO -0.18 -1.18 0.43 0.54 0.05 0.00 0.00 177.00 176.67 1iti s VAL 105 N -1.44 5.02 0.00 -0.36 0.11 -1.26 -5.04 120.40 117.42 1iti s VAL 105 Ca 0.74 0.66 0.00 0.00 -2.93 0.00 0.00 61.98 60.46 1iti s VAL 105 Cb -0.35 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 30.81 1iti s VAL 105 CO 0.40 0.38 0.00 0.29 -3.33 0.00 0.00 175.10 172.83 1iti n LYS 106 N 1.19 0.00 -3.82 1.54 5.02 -1.26 -5.12 118.16 115.71 1iti n LYS 106 Ca -0.09 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.10 1iti n LYS 106 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.46 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 1.51 0.85 0.01 1.97 2.02 -1.26 -5.17 118.70 118.63 1iti s GLU 107 Ca 0.00 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.12 1iti s GLU 107 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.59 1iti s GLU 107 CO 0.00 -0.28 0.04 0.00 0.02 0.00 0.00 175.26 175.04 1iti n ALA 108 N 0.04 -0.09 -1.54 5.21 0.00 -1.26 -4.85 120.51 118.02 1iti n ALA 108 Ca -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1iti n ALA 108 Cb 0.62 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.57 0.00 -3.49 0.00 9.92 -1.26 -4.94 116.55 116.21 1iti n ASP 109 Ca -0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 1iti n ASP 109 Cb 0.02 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.47 1iti n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1iti s GLN 110 N 1.62 1.21 0.15 -1.24 -2.07 -1.26 -4.09 119.66 113.97 1iti s GLN 110 Ca 0.00 -0.53 -0.10 0.00 -1.82 0.00 0.00 55.36 52.91 1iti s GLN 110 Cb 0.00 0.55 -0.00 0.00 -1.09 0.00 0.00 33.01 32.47 1iti s GLN 110 CO 0.00 -0.51 0.29 -1.54 -1.32 0.00 0.00 175.29 172.21 1iti s SER 111 N -2.72 0.02 0.02 12.60 1.04 0.63 -4.41 113.70 120.88 1iti s SER 111 Ca 0.01 -0.75 -0.15 0.00 0.48 0.00 0.00 55.95 55.53 1iti s SER 111 Cb -0.00 0.43 -0.06 0.00 0.10 0.00 0.00 66.02 66.49 1iti s SER 111 CO -0.12 -0.87 0.44 0.42 0.98 0.00 0.00 173.24 174.09 1iti s THR 112 N -3.93 4.98 0.60 2.02 -4.23 -1.26 0.11 115.64 113.94 1iti s THR 112 Ca 0.13 0.90 0.28 0.00 -1.18 0.00 0.00 61.69 61.81 1iti s THR 112 Cb 0.03 -3.74 0.38 0.00 1.34 0.00 0.00 72.50 70.52 1iti s THR 112 CO -0.03 0.57 1.65 0.25 -0.54 0.00 0.00 174.62 176.52 1iti h LEU 113 N 4.65 0.00 0.00 4.79 5.85 -1.76 0.26 115.31 129.10 1iti h LEU 113 Ca -0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1iti h LEU 113 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1iti h LEU 113 CO 0.62 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 179.93 1iti n GLU 114 N -3.49 0.00 -0.32 1.25 2.13 -1.26 -2.14 120.64 116.81 1iti n GLU 114 Ca 0.14 0.06 0.14 0.00 0.66 0.00 0.00 57.16 58.16 1iti n GLU 114 Cb 1.02 -0.73 0.32 0.00 0.27 0.00 0.00 31.44 32.32 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 0.46 -0.09 4.31 2.35 -1.90 0.06 115.58 120.78 1iti h ASN 115 Ca 0.00 0.14 0.04 0.00 -0.55 0.00 0.00 56.30 55.93 1iti h ASN 115 Cb 0.00 0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.40 1iti h ASN 115 CO 0.00 0.06 -0.30 0.15 -1.65 0.00 0.00 177.43 175.69 1iti h PHE 116 N 0.48 -0.81 0.00 1.19 3.04 -0.61 0.41 116.94 120.65 1iti h PHE 116 Ca 0.58 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.56 1iti h PHE 116 Cb 1.06 0.37 0.00 0.00 2.56 0.00 0.00 35.95 39.94 1iti h PHE 116 CO -0.09 -0.38 0.00 1.28 -2.02 0.00 0.00 178.31 177.10 1iti n LEU 117 N -5.40 0.56 -0.00 0.59 4.77 -0.14 -1.96 117.00 115.42 1iti n LEU 117 Ca -0.04 0.67 -0.01 0.00 -0.03 0.00 0.00 56.01 56.60 1iti n LEU 117 Cb 0.31 -0.62 -0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1iti n LEU 117 CO 0.18 -0.62 0.04 -0.08 -1.33 0.00 0.00 177.39 175.57 1iti h GLU 118 N 0.00 -0.04 -0.67 3.23 4.81 0.12 -2.70 114.58 119.34 1iti h GLU 118 Ca 0.00 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1iti h GLU 118 Cb 0.26 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1iti h GLU 118 CO 0.00 -0.02 0.44 0.07 -0.73 0.00 0.00 179.01 178.77 1iti h ARG 119 N -0.41 0.44 0.87 1.92 0.11 -1.15 -2.32 114.38 113.85 1iti h ARG 119 Ca -0.00 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 60.01 1iti h ARG 119 Cb 0.03 -0.10 0.01 0.00 1.11 0.00 0.00 29.97 31.02 1iti h ARG 119 CO 0.01 0.29 -0.42 1.25 0.10 0.00 0.00 179.97 181.20 1iti h LEU 120 N 0.46 -0.99 -0.90 0.08 6.46 -1.51 0.34 115.31 119.24 1iti h LEU 120 Ca 0.31 0.03 0.23 0.00 -0.12 0.00 0.00 57.88 58.33 1iti h LEU 120 Cb 0.60 0.26 -0.13 0.00 -0.73 0.00 0.00 40.66 40.66 1iti h LEU 120 CO -0.10 -0.66 0.39 0.50 -0.62 0.00 0.00 178.44 177.95 1iti h LYS 121 N -1.26 0.36 -0.10 1.25 3.64 -1.09 0.95 116.57 120.32 1iti h LYS 121 Ca -0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1iti h LYS 121 Cb 0.90 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1iti h LYS 121 CO 0.20 0.24 0.03 1.15 -2.27 0.00 0.00 179.45 178.80 1iti h THR 122 N 0.38 1.17 -0.79 1.00 2.02 -1.13 -2.68 112.91 112.88 1iti h THR 122 Ca 0.57 -0.53 0.18 0.00 0.77 0.00 0.00 66.41 67.39 1iti h THR 122 Cb 1.10 1.35 -0.11 0.00 -1.74 0.00 0.00 68.15 68.74 1iti h THR 122 CO -0.55 0.15 0.25 0.40 0.37 0.00 0.00 175.52 176.15 1iti h ILE 123 N -0.03 0.51 0.01 3.11 2.04 0.14 0.10 117.51 123.38 1iti h ILE 123 Ca 0.03 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1iti h ILE 123 Cb 0.22 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1iti h ILE 123 CO -0.00 0.06 -0.06 0.24 0.00 0.00 0.00 178.15 178.39 1iti h MET 124 N 0.33 -0.11 -0.20 2.37 2.86 -1.07 -0.26 114.93 118.85 1iti h MET 124 Ca 0.46 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 58.16 1iti h MET 124 Cb 0.81 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1iti h MET 124 CO -0.51 -0.07 0.23 0.00 1.06 0.00 0.00 176.91 177.62 1iti h ARG 125 N -0.11 0.00 0.05 1.72 2.47 -0.70 0.65 114.38 118.45 1iti h ARG 125 Ca 0.02 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1iti h ARG 125 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1iti h ARG 125 CO -0.06 0.00 -0.02 1.49 0.56 0.00 0.00 179.97 181.94 1iti h GLU 126 N 0.00 -0.06 0.00 0.04 4.81 0.03 -3.22 114.58 116.18 1iti h GLU 126 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1iti h GLU 126 Cb 0.56 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1iti h GLU 126 CO -0.00 0.56 0.00 0.87 -0.73 0.00 0.00 179.01 179.71 1iti h LYS 127 N -0.78 0.00 0.00 1.92 1.57 -0.57 -3.10 116.57 115.62 1iti h LYS 127 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1iti h LYS 127 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1iti h LYS 127 CO 0.01 0.00 0.00 0.98 -0.57 0.00 0.00 179.45 179.87 1iti n TYR 128 N -2.31 0.00 -2.53 -1.35 9.36 0.22 -4.59 117.16 115.95 1iti n TYR 128 Ca 0.04 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.84 1iti n TYR 128 Cb 0.38 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.06 1iti n TYR 128 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1iti s SER 129 N -1.83 6.48 0.00 2.98 0.15 -1.17 -4.67 113.70 115.64 1iti s SER 129 Ca 0.07 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1iti s SER 129 Cb 0.03 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1iti s SER 129 CO 0.05 -1.40 0.00 2.29 1.20 0.00 0.00 173.24 175.38 1iti n LYS 130 N 8.14 0.00 0.05 5.44 2.85 -1.26 -4.95 118.16 128.42 1iti n LYS 130 Ca 0.12 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.51 1iti n LYS 130 Cb 0.49 0.00 0.46 0.00 -0.65 0.00 0.00 35.03 35.32 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 -1.85 5.08 -0.56 0.00 7.64 -1.26 -5.05 113.62 117.61 1iti n SER 132 Ca 0.06 -2.60 0.14 0.00 1.01 0.00 0.00 58.87 57.48 1iti n SER 132 Cb 0.38 -0.95 0.45 0.00 -1.01 0.00 0.00 64.21 63.09 1iti n SER 132 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83