#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 -0.17 -2.71 0.62 0.00 -1.26 -5.15 120.51 111.85 1iti n ALA 2 Ca 0.00 -1.21 -0.14 0.00 0.00 0.00 0.00 53.44 52.09 1iti n ALA 2 Cb 0.00 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.17 1iti n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1iti s GLU 3 N 0.20 1.72 0.63 0.00 2.02 -1.26 -5.17 118.70 116.84 1iti s GLU 3 Ca 0.20 -1.72 -0.03 0.00 0.02 0.00 0.00 54.97 53.44 1iti s GLU 3 Cb 0.32 0.40 0.04 0.00 0.10 0.00 0.00 34.13 34.99 1iti s GLU 3 CO -0.08 -0.68 0.91 0.00 0.02 0.00 0.00 175.26 175.43 1iti s ALA 4 N -3.44 3.46 -0.43 5.21 0.00 -1.26 -4.94 121.76 120.35 1iti s ALA 4 Ca 0.33 -1.05 -0.27 0.00 0.00 0.00 0.00 51.96 50.96 1iti s ALA 4 Cb 0.01 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.68 1iti s ALA 4 CO 0.19 -1.03 2.25 -3.38 0.00 0.00 0.00 175.76 173.79 1iti s HIS 5 N -3.03 1.22 -0.81 0.00 -3.43 -1.26 -4.77 115.29 103.22 1iti s HIS 5 Ca 0.58 1.17 0.25 0.00 -0.80 0.00 0.00 55.06 56.26 1iti s HIS 5 Cb -0.11 -3.76 0.94 0.00 -1.43 0.00 0.00 32.58 28.22 1iti s HIS 5 CO 0.42 -2.89 1.76 1.17 -2.00 0.00 0.00 174.74 173.21 1iti n LYS 6 N 8.94 0.13 -1.52 -0.38 4.81 -1.26 -4.85 118.16 124.03 1iti n LYS 6 Ca 0.32 0.19 -0.44 0.00 -0.87 0.00 0.00 58.31 57.52 1iti n LYS 6 Cb 0.52 -1.68 -0.01 0.00 0.02 0.00 0.00 35.03 33.88 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iti s ASP 8 N -0.77 7.33 0.00 0.00 2.15 -1.26 -4.95 116.67 119.17 1iti s ASP 8 Ca 0.61 1.57 0.23 0.00 0.43 0.00 0.00 52.55 55.40 1iti s ASP 8 Cb -0.69 -2.47 0.16 0.00 -0.30 0.00 0.00 42.92 39.62 1iti s ASP 8 CO 0.58 0.21 1.17 0.00 -0.17 0.00 0.00 175.17 176.97 1iti n ILE 9 N 1.67 0.01 0.04 4.11 3.06 -1.26 -4.12 119.36 122.88 1iti n ILE 9 Ca -0.06 -0.02 -0.17 0.00 -2.50 0.00 0.00 62.75 60.00 1iti n ILE 9 Cb 0.49 0.57 -0.07 0.00 0.54 0.00 0.00 39.64 41.16 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 1.32 0.00 9.51 2.02 -2.00 -2.74 112.91 121.02 1iti h THR 10 Ca 0.00 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1iti h THR 10 Cb 0.51 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1iti h THR 10 CO 0.00 0.70 0.00 -0.07 0.37 0.00 0.00 175.52 176.52 1iti h LEU 11 N 0.35 0.00 0.00 2.58 3.38 -2.00 -2.25 115.31 117.38 1iti h LEU 11 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1iti h LEU 11 Cb 1.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.36 1iti h LEU 11 CO 0.18 0.00 -0.11 -0.61 0.09 0.00 0.00 178.44 177.99 1iti h GLN 12 N 0.00 0.00 -0.59 1.13 4.15 -1.69 -2.70 115.11 115.41 1iti h GLN 12 Ca 0.00 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.55 1iti h GLN 12 Cb 0.42 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1iti h GLN 12 CO 0.00 0.02 0.40 1.05 -1.93 0.00 0.00 178.83 178.37 1iti h GLU 13 N -1.00 0.25 0.18 1.69 4.11 -1.51 -1.90 114.58 116.39 1iti h GLU 13 Ca -0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1iti h GLU 13 Cb 0.12 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1iti h GLU 13 CO -0.00 0.16 -0.08 0.82 0.07 0.00 0.00 179.01 179.98 1iti h ILE 14 N 0.26 0.94 -0.62 -1.06 2.04 -1.52 -2.61 117.51 114.94 1iti h ILE 14 Ca 0.28 -0.83 0.12 0.00 1.00 0.00 0.00 64.86 65.43 1iti h ILE 14 Cb 0.75 1.42 -0.12 0.00 -0.74 0.00 0.00 36.82 38.13 1iti h ILE 14 CO -0.06 0.18 -0.17 0.40 0.00 0.00 0.00 178.15 178.50 1iti h ILE 15 N -0.66 0.36 -0.73 -0.67 2.04 -1.00 0.26 117.51 117.10 1iti h ILE 15 Ca -0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.92 1iti h ILE 15 Cb 0.48 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 1iti h ILE 15 CO 0.04 0.00 0.39 0.11 0.00 0.00 0.00 178.15 178.69 1iti h LYS 16 N -0.01 0.67 -0.26 2.37 1.57 -1.44 -1.79 116.57 117.68 1iti h LYS 16 Ca 0.30 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.09 1iti h LYS 16 Cb 0.47 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 1iti h LYS 16 CO -0.65 0.44 -0.05 1.15 -0.57 0.00 0.00 179.45 179.77 1iti h THR 17 N 0.69 0.76 -0.73 -0.16 2.02 -0.12 -1.18 112.91 114.19 1iti h THR 17 Ca 0.35 -0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.66 1iti h THR 17 Cb 0.30 0.74 -0.10 0.00 -1.74 0.00 0.00 68.15 67.36 1iti h THR 17 CO -0.23 0.00 0.27 -0.07 0.37 0.00 0.00 175.52 175.86 1iti h LEU 18 N 0.01 0.22 -0.76 2.58 3.38 -0.49 0.63 115.31 120.88 1iti h LEU 18 Ca 0.12 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1iti h LEU 18 Cb 0.18 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1iti h LEU 18 CO -0.25 0.08 0.49 0.78 0.09 0.00 0.00 178.44 179.62 1iti h ASN 19 N 0.40 0.89 -0.98 -0.43 -0.26 -0.90 -0.97 115.58 113.32 1iti h ASN 19 Ca 0.40 -0.04 0.14 0.00 -0.56 0.00 0.00 56.30 56.25 1iti h ASN 19 Cb 0.61 -0.22 -0.09 0.00 -1.06 0.00 0.00 38.32 37.56 1iti h ASN 19 CO -0.41 0.66 0.60 0.28 -1.06 0.00 0.00 177.43 177.50 1iti h SER 20 N 1.03 0.84 -0.05 5.81 0.02 0.06 -1.75 113.55 119.52 1iti h SER 20 Ca 0.28 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.24 1iti h SER 20 Cb -0.09 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1iti h SER 20 CO -0.06 0.40 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.77 1iti h LEU 21 N 0.88 0.25 -1.90 5.07 3.38 -0.92 -3.02 115.31 119.06 1iti h LEU 21 Ca 0.52 -0.64 0.32 0.00 0.09 0.00 0.00 57.88 58.16 1iti h LEU 21 Cb 0.63 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1iti h LEU 21 CO -0.31 0.85 0.86 0.71 0.09 0.00 0.00 178.44 180.64 1iti h THR 22 N -0.34 0.33 0.04 0.22 1.35 -0.35 0.95 112.91 115.11 1iti h THR 22 Ca -0.01 0.00 -0.22 0.00 -0.55 0.00 0.00 66.41 65.62 1iti h THR 22 Cb 0.84 0.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 1iti h THR 22 CO 0.04 0.00 -1.00 -0.33 -0.25 0.00 0.00 175.52 173.98 1iti h GLU 23 N 0.00 0.24 -5.94 4.72 5.08 -1.28 -3.44 114.58 113.97 1iti h GLU 23 Ca 0.52 -0.31 -0.61 0.00 -1.00 0.00 0.00 59.36 57.96 1iti h GLU 23 Cb 2.24 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 31.53 1iti h GLU 23 CO -0.01 1.06 -0.23 -0.65 -1.00 0.00 0.00 179.01 178.18 1iti s GLN 24 N -3.03 3.91 -0.33 2.33 -1.52 0.33 -5.05 119.66 116.30 1iti s GLN 24 Ca -0.03 0.35 0.01 0.00 -1.95 0.00 0.00 55.36 53.74 1iti s GLN 24 Cb 0.09 -3.24 0.14 0.00 -0.22 0.00 0.00 33.01 29.79 1iti s GLN 24 CO 0.85 0.65 0.32 0.15 -0.25 0.00 0.00 175.29 177.01 1iti s LYS 25 N -0.91 0.48 0.00 2.91 1.02 -1.26 -4.86 119.74 117.11 1iti s LYS 25 Ca 0.23 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.65 1iti s LYS 25 Cb -0.16 -0.75 0.00 0.00 -0.52 0.00 0.00 37.83 36.40 1iti s LYS 25 CO 0.12 -1.12 0.00 0.25 -0.92 0.00 0.00 175.35 173.68 1iti n THR 26 N 4.73 0.00 1.32 2.17 -2.24 -1.26 -4.95 114.28 114.06 1iti n THR 26 Ca 0.05 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.97 1iti n THR 26 Cb 0.45 -1.50 0.71 0.00 -2.10 0.00 0.00 70.33 67.89 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 0.02 0.00 -0.00 0.00 0.00 56.01 56.34 1iti n LEU 27 Cb 0.00 -0.31 0.11 0.00 -0.00 0.00 0.00 43.42 43.21 1iti n LEU 27 CO 0.00 -0.01 0.30 0.00 -0.00 0.00 0.00 177.39 177.67 1iti h THR 29 N 0.00 0.20 0.00 0.00 1.35 -1.95 -3.17 112.91 109.34 1iti h THR 29 Ca 0.00 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.55 1iti h THR 29 Cb 0.00 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1iti h THR 29 CO 0.00 0.12 0.00 -0.62 -0.25 0.00 0.00 175.52 174.77 1iti n GLU 30 N -3.01 0.39 -3.15 4.72 4.71 -0.88 -4.19 120.64 119.23 1iti n GLU 30 Ca 0.02 0.06 -0.40 0.00 -0.01 0.00 0.00 57.16 56.83 1iti n GLU 30 Cb 0.60 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.47 1iti n GLU 30 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1iti s LEU 31 N -2.27 4.15 -0.12 -4.62 1.43 -1.20 -5.03 118.68 111.01 1iti s LEU 31 Ca 0.21 0.80 -0.26 0.00 -1.03 0.00 0.00 54.13 53.84 1iti s LEU 31 Cb 0.11 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 1iti s LEU 31 CO 0.22 -0.25 0.87 0.42 0.23 0.00 0.00 176.35 177.85 1iti s THR 32 N 1.81 4.88 0.80 5.49 -4.23 -1.26 -3.59 115.64 119.54 1iti s THR 32 Ca 0.28 1.75 -0.03 0.00 -1.18 0.00 0.00 61.69 62.50 1iti s THR 32 Cb -0.16 -4.18 0.16 0.00 1.34 0.00 0.00 72.50 69.66 1iti s THR 32 CO 0.10 0.07 1.09 0.68 -0.54 0.00 0.00 174.62 176.02 1iti s VAL 33 N 1.81 2.00 -0.42 2.29 -7.23 0.19 -4.78 120.40 114.26 1iti s VAL 33 Ca 0.42 -0.51 -0.20 0.00 -1.81 0.00 0.00 61.98 59.88 1iti s VAL 33 Cb -0.18 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.29 1iti s VAL 33 CO 0.16 0.00 0.61 -0.89 -0.31 0.00 0.00 175.10 174.67 1iti s THR 34 N -3.34 4.88 0.06 5.32 2.01 -1.26 -1.46 115.64 121.85 1iti s THR 34 Ca 0.70 0.14 -0.31 0.00 0.31 0.00 0.00 61.69 62.54 1iti s THR 34 Cb -0.04 -4.15 -0.08 0.00 0.01 0.00 0.00 72.50 68.24 1iti s THR 34 CO 0.47 -0.51 1.69 -0.62 -0.69 0.00 0.00 174.62 174.96 1iti s ASP 35 N 1.93 6.59 0.13 3.53 -1.08 -1.26 -4.86 116.67 121.65 1iti s ASP 35 Ca 0.21 2.49 0.23 0.00 -0.52 0.00 0.00 52.55 54.96 1iti s ASP 35 Cb -0.15 -2.56 -0.02 0.00 -1.46 0.00 0.00 42.92 38.74 1iti s ASP 35 CO 0.17 -0.91 0.97 2.30 0.52 0.00 0.00 175.17 178.23 1iti n ILE 36 N 4.87 0.43 1.48 4.11 -5.35 -1.26 -3.78 119.36 119.86 1iti n ILE 36 Ca 0.16 -0.47 0.14 0.00 -0.27 0.00 0.00 62.75 62.31 1iti n ILE 36 Cb 0.41 -0.18 0.55 0.00 -1.74 0.00 0.00 39.64 38.68 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 -2.45 0.00 0.19 4.28 3.72 -1.26 -3.90 117.46 118.05 1iti n PHE 37 Ca -0.00 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.41 1iti n PHE 37 Cb 0.53 -0.06 0.09 0.00 -0.94 0.00 0.00 39.48 39.09 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 -0.36 1.61 -2.72 4.37 0.00 -1.25 -3.19 120.51 118.98 1iti n ALA 38 Ca 0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.52 1iti n ALA 38 Cb 0.31 -1.05 0.09 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.98 -1.53 -2.58 0.00 0.00 -1.25 -4.87 120.51 109.29 1iti n ALA 39 Ca 0.02 -1.17 -0.43 0.00 0.00 0.00 0.00 53.44 51.86 1iti n ALA 39 Cb 0.01 -1.70 -0.07 0.00 0.00 0.00 0.00 19.45 17.69 1iti n ALA 39 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1iti s SER 40 N -1.08 6.29 0.00 0.00 1.04 -1.19 -4.78 113.70 113.97 1iti s SER 40 Ca 0.24 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1iti s SER 40 Cb 0.27 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 64.08 1iti s SER 40 CO -0.12 -0.81 0.00 2.29 0.98 0.00 0.00 173.24 175.58 1iti n LYS 41 N 6.25 0.00 0.00 4.02 2.85 -1.26 -4.89 118.16 125.13 1iti n LYS 41 Ca -0.03 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.27 1iti n LYS 41 Cb 0.47 0.00 0.22 0.00 -0.65 0.00 0.00 35.03 35.07 1iti n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1iti n ASP 42 N -0.62 0.00 -4.62 -5.58 9.92 -1.26 -4.75 116.55 109.64 1iti n ASP 42 Ca 0.00 -1.08 -0.24 0.00 -0.53 0.00 0.00 54.79 52.94 1iti n ASP 42 Cb 0.00 0.00 0.12 0.00 -0.64 0.00 0.00 41.12 40.60 1iti n ASP 42 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1iti n THR 43 N -0.68 0.00 -4.07 -3.53 -2.24 -1.26 -5.12 114.28 97.38 1iti n THR 43 Ca 0.06 -1.62 -0.10 0.00 -2.27 0.00 0.00 64.05 60.12 1iti n THR 43 Cb 0.03 -0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 67.31 1iti n THR 43 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1iti s THR 44 N -3.17 0.01 0.26 4.28 -4.23 -1.26 -5.00 115.64 106.53 1iti s THR 44 Ca 0.68 -1.62 -0.03 0.00 -1.18 0.00 0.00 61.69 59.54 1iti s THR 44 Cb -0.04 -2.26 0.27 0.00 1.34 0.00 0.00 72.50 71.81 1iti s THR 44 CO 0.45 -0.04 1.66 -0.33 -0.54 0.00 0.00 174.62 175.82 1iti h GLU 45 N 2.42 0.20 0.52 3.99 5.08 -2.00 0.75 114.58 125.55 1iti h GLU 45 Ca -0.30 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1iti h GLU 45 Cb 1.25 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1iti h GLU 45 CO 0.43 0.13 -0.42 0.87 -1.00 0.00 0.00 179.01 179.03 1iti h LYS 46 N 0.21 -0.89 0.00 2.33 1.79 -1.98 0.27 116.57 118.30 1iti h LYS 46 Ca 0.45 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.99 1iti h LYS 46 Cb 0.83 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1iti h LYS 46 CO -0.60 -0.59 0.00 0.93 -1.08 0.00 0.00 179.45 178.11 1iti h GLU 47 N -0.92 0.00 -0.04 3.15 4.39 -1.59 -2.48 114.58 117.09 1iti h GLU 47 Ca -0.06 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1iti h GLU 47 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1iti h GLU 47 CO -0.01 0.00 -0.22 1.15 -1.16 0.00 0.00 179.01 178.78 1iti h THR 48 N 0.00 1.47 -0.02 1.13 2.02 0.19 -2.76 112.91 114.94 1iti h THR 48 Ca 0.00 -1.70 -0.06 0.00 0.77 0.00 0.00 66.41 65.42 1iti h THR 48 Cb 0.22 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 1iti h THR 48 CO 0.00 0.47 -0.29 -0.26 0.37 0.00 0.00 175.52 175.82 1iti h PHE 49 N -0.34 0.04 0.62 3.16 0.04 -0.63 -2.28 116.94 117.55 1iti h PHE 49 Ca -0.02 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 1iti h PHE 49 Cb 0.88 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 39.03 1iti h PHE 49 CO 0.14 0.32 -0.30 0.00 -0.60 0.00 0.00 178.31 177.88 1iti h ARG 51 N -1.04 0.16 -0.96 0.00 3.08 -1.47 0.16 114.38 114.31 1iti h ARG 51 Ca -0.09 -0.01 0.22 0.00 0.07 0.00 0.00 59.98 60.17 1iti h ARG 51 Cb 0.64 -0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.53 1iti h ARG 51 CO 0.14 0.11 0.53 0.00 -1.07 0.00 0.00 179.97 179.68 1iti h ALA 52 N 1.48 1.63 -0.10 0.04 0.00 -1.39 -0.04 119.26 120.88 1iti h ALA 52 Ca 0.29 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 1iti h ALA 52 Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1iti h ALA 52 CO -0.43 -0.22 -0.32 0.00 0.00 0.00 0.00 179.25 178.27 1iti h ALA 53 N 1.69 0.18 -0.85 0.00 0.00 -0.26 -2.76 119.26 117.26 1iti h ALA 53 Ca 0.59 -0.43 0.20 0.00 0.00 0.00 0.00 54.91 55.27 1iti h ALA 53 Cb 1.06 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.71 1iti h ALA 53 CO -0.46 0.23 0.31 1.15 0.00 0.00 0.00 179.25 180.48 1iti h THR 54 N -0.03 0.47 0.16 0.00 2.02 0.61 0.18 112.91 116.31 1iti h THR 54 Ca -0.01 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1iti h THR 54 Cb 0.95 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1iti h THR 54 CO 0.07 0.06 -0.08 0.58 0.37 0.00 0.00 175.52 176.53 1iti h VAL 55 N 0.35 0.97 -0.81 3.16 2.07 -1.30 -2.64 116.25 118.04 1iti h VAL 55 Ca 0.51 -0.63 0.18 0.00 0.82 0.00 0.00 66.70 67.59 1iti h VAL 55 Cb 0.95 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 1iti h VAL 55 CO -0.54 0.14 0.55 -0.07 0.02 0.00 0.00 177.57 177.68 1iti h LEU 56 N -0.52 0.31 0.30 2.57 3.38 -0.84 0.46 115.31 120.98 1iti h LEU 56 Ca -0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1iti h LEU 56 Cb 0.40 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1iti h LEU 56 CO 0.04 0.14 -0.15 -0.09 0.09 0.00 0.00 178.44 178.47 1iti h ARG 57 N 0.32 -0.39 0.00 1.13 2.43 -0.39 -2.44 114.38 115.04 1iti h ARG 57 Ca 0.41 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1iti h ARG 57 Cb 1.10 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1iti h ARG 57 CO -0.12 -0.26 0.00 0.00 -1.51 0.00 0.00 179.97 178.08 1iti n GLN 58 N -3.27 0.21 0.00 0.20 -0.00 -1.00 -1.61 117.38 111.91 1iti n GLN 58 Ca -0.05 0.03 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 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 -1.04 0.00 1.10 2.61 7.35 0.12 -2.92 117.46 124.68 1iti n PHE 59 Ca 0.05 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.85 1iti n PHE 59 Cb 0.03 -0.32 0.58 0.00 0.35 0.00 0.00 39.48 40.12 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 -1.94 0.00 -0.02 -5.13 0.18 -1.01 -1.26 117.16 107.98 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 -0.26 -0.14 0.00 -0.38 0.00 0.00 39.34 38.56 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 -1.26 1.94 0.07 9.48 7.64 -0.64 -2.74 113.62 128.12 1iti n SER 61 Ca 0.11 0.18 0.07 0.00 1.01 0.00 0.00 58.87 60.24 1iti n SER 61 Cb 0.17 -0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 62.65 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 -3.39 0.98 -0.10 1.43 8.25 -1.15 -4.15 115.22 117.09 1iti n HIS 62 Ca -0.32 0.30 -0.20 0.00 -0.26 0.00 0.00 57.72 57.24 1iti n HIS 62 Cb 1.04 -1.01 -0.12 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 0.00 0.00 0.00 4.41 3.86 -1.36 -3.26 115.15 118.80 1iti h HIS 63 Ca -0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1iti h HIS 63 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1iti h HIS 63 CO 0.00 1.39 0.51 1.49 0.86 0.00 0.00 177.93 182.18 1iti h GLU 64 N -1.00 0.00 0.05 2.45 4.81 -1.69 0.88 114.58 120.08 1iti h GLU 64 Ca -0.28 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.61 1iti h GLU 64 Cb 1.24 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 1iti h GLU 64 CO -0.17 0.00 -1.95 1.63 -0.73 0.00 0.00 179.01 177.79 1iti n LYS 65 N -2.12 0.69 -2.41 1.92 4.01 -1.25 -4.90 118.16 114.10 1iti n LYS 65 Ca -0.01 0.25 -0.35 0.00 -0.51 0.00 0.00 58.31 57.69 1iti n LYS 65 Cb 0.53 -1.71 -0.02 0.00 -0.51 0.00 0.00 35.03 33.31 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 -6.49 6.20 -0.42 4.39 -1.08 0.30 -4.92 116.67 114.66 1iti s ASP 66 Ca -0.15 2.09 -0.03 0.00 -0.52 0.00 0.00 52.55 53.94 1iti s ASP 66 Cb 0.07 -2.58 0.11 0.00 -1.46 0.00 0.00 42.92 39.06 1iti s ASP 66 CO 0.78 -0.88 2.57 0.35 0.52 0.00 0.00 175.17 178.50 1iti n THR 67 N -0.82 3.19 -0.10 1.71 -2.24 -1.26 -4.40 114.28 110.36 1iti n THR 67 Ca 0.09 -2.64 -0.14 0.00 -2.27 0.00 0.00 64.05 59.08 1iti n THR 67 Cb 0.51 -1.52 -0.05 0.00 -2.10 0.00 0.00 70.33 67.17 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 0.70 0.54 -0.12 -0.78 1.74 -1.26 -4.52 116.66 112.96 1iti n ARG 68 Ca 0.44 0.26 0.11 0.00 -0.77 0.00 0.00 57.85 57.89 1iti n ARG 68 Cb 0.56 -1.48 0.31 0.00 -1.02 0.00 0.00 32.46 30.83 1iti n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iti h LEU 70 N 3.07 0.47 0.00 0.00 3.38 -1.79 -3.46 115.31 116.98 1iti h LEU 70 Ca 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1iti h LEU 70 Cb 0.67 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1iti h LEU 70 CO 0.00 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.11 1iti n GLY 71 N 0.35 -1.29 0.00 0.83 0.00 -1.26 -3.93 105.19 99.89 1iti n GLY 71 Ca -0.03 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 2.36 0.97 -0.52 4.61 0.00 -1.26 -4.95 120.51 121.72 1iti n ALA 72 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1iti n ALA 72 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 1iti n ALA 72 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1iti s THR 73 N -1.00 1.19 -0.22 0.00 -4.23 -1.26 -4.86 115.64 105.26 1iti s THR 73 Ca 0.00 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.73 1iti s THR 73 Cb 0.00 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.65 1iti s THR 73 CO 0.00 0.00 1.02 0.00 -0.54 0.00 0.00 174.62 175.10 1iti h ALA 74 N -3.34 0.53 0.07 3.99 0.00 -1.99 -3.12 119.26 115.39 1iti h ALA 74 Ca -0.41 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.21 1iti h ALA 74 Cb 1.33 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1iti h ALA 74 CO 0.26 0.16 -0.72 -0.56 0.00 0.00 0.00 179.25 178.38 1iti h GLN 75 N 0.00 0.15 0.00 0.00 3.07 -2.00 -3.20 115.11 113.13 1iti h GLN 75 Ca -0.03 -0.26 -0.07 0.00 0.09 0.00 0.00 58.65 58.39 1iti h GLN 75 Cb 1.10 0.10 -0.01 0.00 0.08 0.00 0.00 27.48 28.74 1iti h GLN 75 CO 0.01 1.12 -0.33 0.37 0.09 0.00 0.00 178.83 180.09 1iti h GLN 76 N -0.65 0.00 0.15 0.06 4.15 -1.91 -1.25 115.11 115.66 1iti h GLN 76 Ca -0.15 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 1iti h GLN 76 Cb 1.41 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.10 1iti h GLN 76 CO 0.04 0.33 -0.07 0.35 -1.93 0.00 0.00 178.83 177.54 1iti h PHE 77 N 0.00 -0.19 0.04 3.99 3.57 -1.64 -1.92 116.94 120.80 1iti h PHE 77 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1iti h PHE 77 Cb 0.69 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1iti h PHE 77 CO 0.00 0.06 -0.02 1.25 -2.23 0.00 0.00 178.31 177.37 1iti h HIS 78 N -0.42 -0.05 -1.18 0.41 2.76 -1.53 -2.60 115.15 112.55 1iti h HIS 78 Ca -0.02 -0.00 0.34 0.00 -2.20 0.00 0.00 60.37 58.49 1iti h HIS 78 Cb 0.33 0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.26 1iti h HIS 78 CO -0.00 0.39 0.84 -0.09 -1.30 0.00 0.00 177.93 177.78 1iti h ARG 79 N -0.52 0.02 0.13 5.26 2.43 -1.26 -0.44 114.38 120.01 1iti h ARG 79 Ca -0.01 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1iti h ARG 79 Cb 0.47 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1iti h ARG 79 CO 0.01 0.01 -0.06 1.25 -1.51 0.00 0.00 179.97 179.67 1iti h HIS 80 N 0.02 -0.16 -0.98 2.20 2.76 -1.10 -3.14 115.15 114.76 1iti h HIS 80 Ca 0.57 -0.00 0.24 0.00 -2.20 0.00 0.00 60.37 58.97 1iti h HIS 80 Cb 2.22 0.05 -0.12 0.00 1.55 0.00 0.00 27.41 31.11 1iti h HIS 80 CO -0.00 0.26 0.55 0.87 -1.30 0.00 0.00 177.93 178.31 1iti h LYS 81 N -0.94 0.53 0.09 5.26 1.57 -0.74 0.07 116.57 122.41 1iti h LYS 81 Ca -0.02 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1iti h LYS 81 Cb 0.49 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1iti h LYS 81 CO 0.03 0.35 -0.22 0.37 -0.57 0.00 0.00 179.45 179.41 1iti h GLN 82 N 0.55 -0.38 -0.23 3.15 4.15 -1.31 -1.77 115.11 119.26 1iti h GLN 82 Ca 0.63 0.03 0.05 0.00 0.77 0.00 0.00 58.65 60.12 1iti h GLN 82 Cb 1.18 0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.89 1iti h GLN 82 CO -0.48 -0.26 -0.43 1.25 -1.93 0.00 0.00 178.83 176.98 1iti h LEU 83 N -0.40 -1.39 -0.94 -2.39 6.46 -0.94 0.17 115.31 115.88 1iti h LEU 83 Ca 0.03 0.19 0.25 0.00 -0.12 0.00 0.00 57.88 58.24 1iti h LEU 83 Cb 0.43 0.58 -0.13 0.00 -0.73 0.00 0.00 40.66 40.81 1iti h LEU 83 CO -0.14 -0.41 0.46 0.40 -0.62 0.00 0.00 178.44 178.13 1iti h ILE 84 N -0.44 0.43 -0.32 4.05 1.08 -1.11 0.18 117.51 121.38 1iti h ILE 84 Ca 0.09 -0.14 0.06 0.00 -0.39 0.00 0.00 64.86 64.49 1iti h ILE 84 Cb 0.61 -0.01 -0.06 0.00 -3.07 0.00 0.00 36.82 34.30 1iti h ILE 84 CO -0.46 0.07 -0.05 -0.09 -0.69 0.00 0.00 178.15 176.93 1iti h ARG 85 N 0.41 0.03 -0.20 2.37 2.43 0.21 0.19 114.38 119.82 1iti h ARG 85 Ca 0.62 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.80 1iti h ARG 85 Cb 1.24 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1iti h ARG 85 CO -0.55 0.02 0.07 0.74 -1.51 0.00 0.00 179.97 178.75 1iti h PHE 86 N 0.04 0.13 -0.76 2.20 -1.00 -0.26 -0.86 116.94 116.42 1iti h PHE 86 Ca 0.16 0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.98 1iti h PHE 86 Cb 0.23 -0.03 -0.05 0.00 3.61 0.00 0.00 35.95 39.71 1iti h PHE 86 CO -0.28 0.07 0.48 -0.07 -1.61 0.00 0.00 178.31 176.90 1iti h LEU 87 N 0.17 0.78 -1.37 1.54 3.38 -0.73 0.10 115.31 119.18 1iti h LEU 87 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1iti h LEU 87 Cb 0.05 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1iti h LEU 87 CO -0.09 0.54 0.00 0.11 0.09 0.00 0.00 178.44 179.09 1iti h LYS 88 N 0.92 0.00 0.00 1.13 1.57 -0.03 -1.10 116.57 119.06 1iti h LYS 88 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1iti h LYS 88 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1iti h LYS 88 CO -0.12 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 176.63 1iti n ARG 89 N -2.65 0.00 -0.26 3.15 0.63 0.27 -3.89 116.66 113.91 1iti n ARG 89 Ca 0.00 0.29 0.19 0.00 -0.92 0.00 0.00 57.85 57.41 1iti n ARG 89 Cb 0.21 -0.76 0.49 0.00 0.45 0.00 0.00 32.46 32.86 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 0.45 -0.92 6.15 8.10 -1.41 0.83 115.31 128.51 1iti h LEU 90 Ca 0.00 0.05 0.21 0.00 0.11 0.00 0.00 57.88 58.24 1iti h LEU 90 Cb 0.00 -0.03 -0.12 0.00 -0.44 0.00 0.00 40.66 40.07 1iti h LEU 90 CO 0.00 0.17 0.47 -0.78 -4.11 0.00 0.00 178.44 174.19 1iti h ASP 91 N 0.44 0.50 0.86 0.17 3.58 -1.37 0.31 116.42 120.91 1iti h ASP 91 Ca 0.49 0.13 -0.20 0.00 0.42 0.00 0.00 57.03 57.86 1iti h ASP 91 Cb 1.16 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 1iti h ASP 91 CO -0.20 0.10 -0.95 0.03 -2.88 0.00 0.00 179.24 175.34 1iti h ARG 92 N 0.53 0.05 0.28 0.28 2.47 -0.96 -3.19 114.38 113.84 1iti h ARG 92 Ca 0.56 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 59.20 1iti h ARG 92 Cb 0.99 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1iti h ARG 92 CO -0.46 0.95 -0.14 -0.91 0.56 0.00 0.00 179.97 179.97 1iti h ASN 93 N 0.02 -0.32 -0.89 7.04 -0.26 -0.09 0.18 115.58 121.26 1iti h ASN 93 Ca -0.02 -0.12 0.16 0.00 -0.56 0.00 0.00 56.30 55.76 1iti h ASN 93 Cb 1.65 0.08 -0.07 0.00 -1.06 0.00 0.00 38.32 38.92 1iti h ASN 93 CO 0.13 -0.06 0.57 -0.07 -1.06 0.00 0.00 177.43 176.94 1iti h LEU 94 N -0.58 0.57 -0.01 1.61 3.38 -1.06 0.66 115.31 119.87 1iti h LEU 94 Ca -0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iti h LEU 94 Cb 0.42 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1iti h LEU 94 CO 0.06 0.27 0.00 1.87 0.09 0.00 0.00 178.44 180.73 1iti n TRP 95 N -4.55 0.77 0.07 1.13 -0.00 -1.02 -3.56 117.44 110.28 1iti n TRP 95 Ca 0.18 0.23 -0.03 0.00 -0.00 0.00 0.00 57.50 57.87 1iti n TRP 95 Cb 0.55 -0.87 -0.02 0.00 -0.00 0.00 0.00 31.31 30.97 1iti n TRP 95 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1iti h GLY 96 N 4.57 -0.21 1.12 5.87 0.00 0.24 -3.00 103.07 111.66 1iti h GLY 96 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1iti h GLY 96 CO 0.00 -0.08 0.00 1.47 0.00 0.00 0.00 176.54 177.93 1iti n LEU 97 N -3.05 0.00 0.00 3.11 -0.00 -1.13 -3.04 117.00 112.89 1iti n LEU 97 Ca -0.03 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1iti n LEU 97 Cb 0.08 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 1iti n LEU 97 CO 0.06 -0.07 0.04 0.00 -0.00 0.00 0.00 177.39 177.42 1iti n ALA 98 N -1.06 -0.03 -1.01 1.47 0.00 -1.14 -4.94 120.51 113.80 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 1.85 0.46 3.84 0.00 0.00 -1.17 -5.02 105.19 105.15 1iti n GLY 99 Ca 0.00 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.05 4.32 0.00 0.99 1.43 -1.26 -5.03 118.68 119.08 1iti s LEU 100 Ca 0.00 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 1iti s LEU 100 Cb 0.00 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1iti s LEU 100 CO 0.00 0.06 0.00 0.59 0.23 0.00 0.00 176.35 177.23 1iti n ASN 101 N 0.68 0.00 -4.82 2.29 5.03 -1.26 -4.94 115.26 112.23 1iti n ASN 101 Ca -0.04 0.16 -0.37 0.00 0.87 0.00 0.00 54.58 55.20 1iti n ASN 101 Cb 0.52 -0.45 -0.06 0.00 -1.02 0.00 0.00 39.78 38.77 1iti n ASN 101 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1iti s SER 102 N -3.36 6.95 -0.47 6.41 0.01 -1.26 -5.01 113.70 116.97 1iti s SER 102 Ca 0.00 1.17 0.06 0.00 1.31 0.00 0.00 55.95 58.48 1iti s SER 102 Cb 0.00 -2.32 0.26 0.00 0.21 0.00 0.00 66.02 64.16 1iti s SER 102 CO 0.00 0.22 0.96 0.00 0.41 0.00 0.00 173.24 174.83 1iti s PRO 104 N 0.58 3.16 -0.05 0.00 0.05 -1.26 -4.93 135.00 132.54 1iti s PRO 104 Ca 0.30 2.05 -0.12 0.00 0.05 0.00 0.00 61.00 63.27 1iti s PRO 104 Cb 0.24 -2.18 -0.05 0.00 0.05 0.00 0.00 34.50 32.56 1iti s PRO 104 CO -0.20 -1.12 0.32 0.54 0.05 0.00 0.00 177.00 176.59 1iti s VAL 105 N -1.41 5.21 0.00 -0.36 0.11 -1.26 -5.05 120.40 117.64 1iti s VAL 105 Ca 0.72 0.62 0.00 0.00 -2.93 0.00 0.00 61.98 60.39 1iti s VAL 105 Cb -0.36 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 1iti s VAL 105 CO 0.42 0.57 0.00 1.17 -3.33 0.00 0.00 175.10 173.92 1iti n LYS 106 N 2.08 0.03 -0.80 1.54 4.81 -1.26 -5.10 118.16 119.46 1iti n LYS 106 Ca -0.15 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1iti n LYS 106 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 1iti n LYS 106 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1iti n GLU 107 N 0.00 0.75 0.00 1.64 -0.58 -1.26 -5.13 120.64 116.06 1iti n GLU 107 Ca 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1iti n GLU 107 Cb 0.00 -0.01 0.00 0.00 -0.57 0.00 0.00 31.44 30.86 1iti n GLU 107 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iti n ALA 108 N -2.99 0.00 -1.66 0.62 0.00 -1.26 -5.00 120.51 110.22 1iti n ALA 108 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iti n ALA 108 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -3.67 0.00 8.00 -1.26 -4.95 116.55 114.67 1iti n ASP 109 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 1iti n ASP 109 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1iti n ASP 109 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1iti s GLN 110 N 2.12 0.80 0.17 -1.24 0.74 -1.26 -4.32 119.66 116.67 1iti s GLN 110 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 55.36 55.32 1iti s GLN 110 Cb 0.00 0.37 -0.01 0.00 1.10 0.00 0.00 33.01 34.47 1iti s GLN 110 CO 0.00 -0.23 0.29 -1.54 -0.55 0.00 0.00 175.29 173.26 1iti s SER 111 N -1.21 0.03 0.19 6.67 1.04 -0.53 -4.64 113.70 115.23 1iti s SER 111 Ca -0.12 -0.86 -0.08 0.00 0.48 0.00 0.00 55.95 55.37 1iti s SER 111 Cb -0.03 0.44 -0.06 0.00 0.10 0.00 0.00 66.02 66.47 1iti s SER 111 CO 0.06 -0.90 0.47 0.42 0.98 0.00 0.00 173.24 174.27 1iti s THR 112 N -3.97 5.04 0.34 2.02 -4.23 -1.26 0.54 115.64 114.12 1iti s THR 112 Ca 0.17 0.29 0.04 0.00 -1.18 0.00 0.00 61.69 61.01 1iti s THR 112 Cb 0.03 -3.62 0.28 0.00 1.34 0.00 0.00 72.50 70.53 1iti s THR 112 CO 0.00 -0.01 1.95 0.25 -0.54 0.00 0.00 174.62 176.28 1iti h LEU 113 N 2.72 0.75 0.00 4.79 5.85 -1.72 0.35 115.31 128.06 1iti h LEU 113 Ca -0.47 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1iti h LEU 113 Cb 1.17 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1iti h LEU 113 CO 0.70 0.50 0.00 1.21 -0.34 0.00 0.00 178.44 180.51 1iti n GLU 114 N -4.47 0.00 -0.27 1.25 2.13 -1.26 -1.43 120.64 116.59 1iti n GLU 114 Ca 0.11 0.33 0.08 0.00 0.66 0.00 0.00 57.16 58.34 1iti n GLU 114 Cb 0.18 -1.20 0.23 0.00 0.27 0.00 0.00 31.44 30.92 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 0.11 -0.81 4.31 -0.26 -1.96 0.33 115.58 117.30 1iti h ASN 115 Ca 0.00 0.15 0.15 0.00 -0.56 0.00 0.00 56.30 56.04 1iti h ASN 115 Cb 0.00 0.18 -0.10 0.00 -1.06 0.00 0.00 38.32 37.34 1iti h ASN 115 CO 0.00 -0.03 0.37 0.15 -1.06 0.00 0.00 177.43 176.86 1iti h PHE 116 N 0.31 0.64 0.00 1.19 3.04 -0.31 0.79 116.94 122.61 1iti h PHE 116 Ca 0.47 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.46 1iti h PHE 116 Cb 0.84 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.19 1iti h PHE 116 CO -0.22 0.11 0.00 -0.07 -2.02 0.00 0.00 178.31 176.10 1iti h LEU 117 N 0.52 0.00 0.01 0.59 3.38 0.82 -1.98 115.31 118.65 1iti h LEU 117 Ca 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 1iti h LEU 117 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1iti h LEU 117 CO -0.40 0.00 -0.01 -0.08 0.09 0.00 0.00 178.44 178.05 1iti h GLU 118 N 0.00 -0.02 -0.53 1.13 4.22 0.15 -2.25 114.58 117.29 1iti h GLU 118 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1iti h GLU 118 Cb 0.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1iti h GLU 118 CO 0.00 0.30 0.28 0.07 -2.18 0.00 0.00 179.01 177.48 1iti h ARG 119 N -1.00 0.72 0.62 1.92 0.11 -1.12 -1.03 114.38 114.59 1iti h ARG 119 Ca -0.00 -0.07 -0.03 0.00 0.10 0.00 0.00 59.98 59.98 1iti h ARG 119 Cb 0.32 -0.15 0.01 0.00 1.11 0.00 0.00 29.97 31.26 1iti h ARG 119 CO 0.00 0.53 -0.30 1.25 0.10 0.00 0.00 179.97 181.56 1iti h LEU 120 N 0.73 -0.70 -0.67 0.08 6.46 -1.47 0.38 115.31 120.11 1iti h LEU 120 Ca 0.19 0.00 0.14 0.00 -0.12 0.00 0.00 57.88 58.09 1iti h LEU 120 Cb 0.03 0.18 -0.10 0.00 -0.73 0.00 0.00 40.66 40.04 1iti h LEU 120 CO -0.03 -0.31 0.14 0.50 -0.62 0.00 0.00 178.44 178.12 1iti h LYS 121 N -1.19 0.24 -0.06 1.25 3.64 -1.27 -0.49 116.57 118.70 1iti h LYS 121 Ca -0.08 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1iti h LYS 121 Cb 0.66 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1iti h LYS 121 CO 0.14 0.16 0.03 1.15 -2.27 0.00 0.00 179.45 178.66 1iti h THR 122 N 0.25 1.07 -1.00 1.00 2.02 -1.16 -2.15 112.91 112.93 1iti h THR 122 Ca 0.37 -0.18 0.19 0.00 0.77 0.00 0.00 66.41 67.55 1iti h THR 122 Cb 0.60 1.09 -0.10 0.00 -1.74 0.00 0.00 68.15 67.99 1iti h THR 122 CO -0.47 0.06 0.61 0.40 0.37 0.00 0.00 175.52 176.49 1iti h ILE 123 N 0.02 0.72 0.09 3.11 2.04 0.60 -0.17 117.51 123.91 1iti h ILE 123 Ca 0.02 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1iti h ILE 123 Cb 0.06 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.02 1iti h ILE 123 CO -0.00 0.14 -0.04 0.24 0.00 0.00 0.00 178.15 178.48 1iti h MET 124 N 0.77 -0.12 0.00 2.37 2.86 -0.60 0.17 114.93 120.37 1iti h MET 124 Ca 0.57 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.22 1iti h MET 124 Cb 0.88 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.57 1iti h MET 124 CO -0.37 0.06 0.00 0.00 1.06 0.00 0.00 176.91 177.66 1iti h ARG 125 N -0.28 0.00 0.04 1.72 2.47 -0.57 0.49 114.38 118.24 1iti h ARG 125 Ca -0.01 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.56 1iti h ARG 125 Cb 0.24 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1iti h ARG 125 CO 0.02 0.00 -0.75 1.49 0.56 0.00 0.00 179.97 181.29 1iti h GLU 126 N 0.00 0.08 0.00 0.04 4.81 -0.18 -3.34 114.58 115.98 1iti h GLU 126 Ca 0.00 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1iti h GLU 126 Cb 0.06 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1iti h GLU 126 CO 0.00 1.06 -0.10 0.87 -0.73 0.00 0.00 179.01 180.11 1iti h LYS 127 N -0.80 0.00 0.00 1.92 1.57 -0.54 -2.92 116.57 115.79 1iti h LYS 127 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1iti h LYS 127 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1iti h LYS 127 CO -0.04 0.10 0.00 0.98 -0.57 0.00 0.00 179.45 179.92 1iti n TYR 128 N -3.15 0.00 -2.23 -1.35 9.36 0.17 -4.65 117.16 115.30 1iti n TYR 128 Ca 0.02 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.82 1iti n TYR 128 Cb 0.49 -0.19 -0.02 0.00 -0.63 0.00 0.00 39.34 38.98 1iti n TYR 128 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1iti s SER 129 N -2.38 6.66 0.00 2.98 1.04 -1.11 -4.63 113.70 116.26 1iti s SER 129 Ca 0.14 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.28 1iti s SER 129 Cb 0.08 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1iti s SER 129 CO 0.17 -1.01 0.00 2.29 0.98 0.00 0.00 173.24 175.67 1iti n LYS 130 N 7.17 0.00 0.33 4.02 2.85 -1.26 -4.93 118.16 126.33 1iti n LYS 130 Ca 0.16 0.00 0.22 0.00 -1.05 0.00 0.00 58.31 57.64 1iti n LYS 130 Cb 0.45 0.00 1.11 0.00 -0.65 0.00 0.00 35.03 35.94 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 -3.09 5.02 -0.60 0.00 7.64 -1.26 -5.05 113.62 116.28 1iti n SER 132 Ca -0.02 -2.78 0.14 0.00 1.01 0.00 0.00 58.87 57.21 1iti n SER 132 Cb 0.12 -0.89 0.42 0.00 -1.01 0.00 0.00 64.21 62.85 1iti n SER 132 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49