#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 -3.52 0.62 0.00 -1.26 -5.13 120.51 111.21 1iti n ALA 2 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1iti n ALA 2 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.50 0.21 0.00 0.00 -1.05 -1.26 -4.89 118.70 110.21 1iti s GLU 3 Ca 0.00 -0.46 0.00 0.00 -0.15 0.00 0.00 54.97 54.36 1iti s GLU 3 Cb 0.00 -1.11 0.00 0.00 -0.44 0.00 0.00 34.13 32.58 1iti s GLU 3 CO 0.00 -1.01 0.00 0.00 0.95 0.00 0.00 175.26 175.20 1iti n ALA 4 N 5.26 0.00 -2.19 -0.84 0.00 -1.26 -5.00 120.51 116.48 1iti n ALA 4 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 1iti n ALA 4 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.05 2.65 0.35 0.00 8.25 -1.26 -4.70 115.22 120.46 1iti n HIS 5 Ca 0.00 -2.75 0.02 0.00 -0.26 0.00 0.00 57.72 54.73 1iti n HIS 5 Cb 0.00 -1.67 0.13 0.00 1.12 0.00 0.00 29.99 29.57 1iti n HIS 5 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1iti n LYS 6 N 1.39 0.17 -1.68 -0.41 4.01 -1.26 -4.75 118.16 115.64 1iti n LYS 6 Ca 0.57 0.00 -0.54 0.00 -0.51 0.00 0.00 58.31 57.83 1iti n LYS 6 Cb 0.26 -1.40 -0.06 0.00 -0.51 0.00 0.00 35.03 33.32 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1iti s ASP 8 N 2.97 6.18 0.57 0.00 1.11 -1.26 -4.84 116.67 121.39 1iti s ASP 8 Ca 0.93 -0.81 0.38 0.00 0.18 0.00 0.00 52.55 53.23 1iti s ASP 8 Cb -0.93 -2.47 1.98 0.00 1.07 0.00 0.00 42.92 42.57 1iti s ASP 8 CO 0.57 -1.59 2.15 -0.29 1.18 0.00 0.00 175.17 177.20 1iti h ILE 9 N 6.00 0.00 -0.91 0.77 2.10 -1.95 -2.12 117.51 121.39 1iti h ILE 9 Ca -0.28 -0.09 0.01 0.00 1.08 0.00 0.00 64.86 65.59 1iti h ILE 9 Cb 1.06 0.97 -0.05 0.00 -1.09 0.00 0.00 36.82 37.72 1iti h ILE 9 CO 1.22 0.00 0.60 0.74 -1.08 0.00 0.00 178.15 179.63 1iti h THR 10 N 0.00 1.22 0.00 2.19 2.02 -2.00 0.36 112.91 116.69 1iti h THR 10 Ca 0.00 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 1iti h THR 10 Cb 0.09 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.39 1iti h THR 10 CO 0.00 0.22 -0.00 -0.07 0.37 0.00 0.00 175.52 176.04 1iti h LEU 11 N 1.22 0.00 0.04 2.58 3.38 -1.80 -1.88 115.31 118.85 1iti h LEU 11 Ca 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 1iti h LEU 11 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1iti h LEU 11 CO -0.08 0.00 -0.02 -0.61 0.09 0.00 0.00 178.44 177.82 1iti h GLN 12 N 0.00 -0.05 0.00 1.13 4.15 -1.05 -2.78 115.11 116.51 1iti h GLN 12 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1iti h GLN 12 Cb 0.24 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1iti h GLN 12 CO 0.00 -0.03 0.25 1.05 -1.93 0.00 0.00 178.83 178.17 1iti h GLU 13 N -0.52 0.00 0.24 1.69 -0.00 -1.45 -2.06 114.58 112.48 1iti h GLU 13 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.34 1iti h GLU 13 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.79 1iti h GLU 13 CO 0.01 0.00 -0.11 0.82 -0.00 0.00 0.00 179.01 179.73 1iti h ILE 14 N 0.00 0.14 -0.74 -1.06 2.04 -1.39 -2.41 117.51 114.10 1iti h ILE 14 Ca 0.00 -0.84 0.17 0.00 1.00 0.00 0.00 64.86 65.19 1iti h ILE 14 Cb 0.50 0.25 -0.12 0.00 -0.74 0.00 0.00 36.82 36.71 1iti h ILE 14 CO 0.00 0.04 0.08 0.40 0.00 0.00 0.00 178.15 178.67 1iti h ILE 15 N -1.06 0.41 -0.95 -0.67 2.04 -1.08 0.37 117.51 116.57 1iti h ILE 15 Ca -0.03 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1iti h ILE 15 Cb 0.31 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 1iti h ILE 15 CO 0.05 0.03 0.62 0.11 0.00 0.00 0.00 178.15 178.96 1iti h LYS 16 N 0.16 1.26 -0.35 2.37 1.57 -1.57 -2.34 116.57 117.67 1iti h LYS 16 Ca 0.41 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 59.13 1iti h LYS 16 Cb 0.73 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1iti h LYS 16 CO -0.60 0.85 0.17 1.15 -0.57 0.00 0.00 179.45 180.45 1iti h THR 17 N 1.30 0.98 -0.52 -0.16 2.02 0.24 -2.18 112.91 114.58 1iti h THR 17 Ca 0.35 -0.12 0.08 0.00 0.77 0.00 0.00 66.41 67.48 1iti h THR 17 Cb -0.13 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 66.81 1iti h THR 17 CO -0.07 0.07 0.16 -0.07 0.37 0.00 0.00 175.52 175.98 1iti h LEU 18 N 0.36 0.13 -0.68 2.58 3.38 -0.77 -0.94 115.31 119.37 1iti h LEU 18 Ca 0.15 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.31 1iti h LEU 18 Cb 0.06 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 1iti h LEU 18 CO -0.11 0.10 0.26 0.78 0.09 0.00 0.00 178.44 179.56 1iti h ASN 19 N 0.33 0.25 -0.82 -0.43 2.35 -1.07 0.12 115.58 116.30 1iti h ASN 19 Ca 0.26 0.09 0.01 0.00 -0.55 0.00 0.00 56.30 56.11 1iti h ASN 19 Cb 0.31 0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 1iti h ASN 19 CO -0.28 0.12 0.54 0.28 -1.65 0.00 0.00 177.43 176.44 1iti h SER 20 N 0.43 0.94 -0.45 5.81 0.02 -0.83 -2.30 113.55 117.17 1iti h SER 20 Ca 0.36 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.31 1iti h SER 20 Cb 0.49 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1iti h SER 20 CO -0.35 0.67 0.26 -0.07 -1.14 0.00 0.00 176.83 176.20 1iti h LEU 21 N 1.11 0.42 -0.67 5.07 3.38 -0.32 -2.19 115.31 122.11 1iti h LEU 21 Ca 0.30 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.37 1iti h LEU 21 Cb -0.11 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 1iti h LEU 21 CO -0.07 0.30 0.31 0.71 0.09 0.00 0.00 178.44 179.78 1iti h THR 22 N 0.53 0.82 -1.05 0.22 1.35 -0.76 0.12 112.91 114.14 1iti h THR 22 Ca 0.18 -0.18 0.29 0.00 -0.55 0.00 0.00 66.41 66.15 1iti h THR 22 Cb 0.02 0.25 -0.06 0.00 -1.73 0.00 0.00 68.15 66.62 1iti h THR 22 CO -0.08 0.10 0.73 -0.33 -0.25 0.00 0.00 175.52 175.68 1iti h GLU 23 N 0.53 0.15 -6.12 4.72 4.39 -1.04 -3.38 114.58 113.82 1iti h GLU 23 Ca 0.33 -0.01 -0.59 0.00 0.34 0.00 0.00 59.36 59.43 1iti h GLU 23 Cb 0.37 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.94 1iti h GLU 23 CO -0.28 0.10 -0.22 -0.65 -1.16 0.00 0.00 179.01 176.80 1iti s GLN 24 N -5.16 3.82 -0.39 2.33 -0.21 0.43 -5.05 119.66 115.42 1iti s GLN 24 Ca -0.06 0.26 0.04 0.00 0.02 0.00 0.00 55.36 55.62 1iti s GLN 24 Cb 0.23 -3.03 0.16 0.00 1.00 0.00 0.00 33.01 31.38 1iti s GLN 24 CO 0.79 0.57 0.43 0.15 -2.12 0.00 0.00 175.29 175.11 1iti s LYS 25 N -1.77 0.71 0.00 2.91 1.02 -1.26 -4.94 119.74 116.41 1iti s LYS 25 Ca 0.32 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1iti s LYS 25 Cb -0.15 -0.62 0.00 0.00 -0.52 0.00 0.00 37.83 36.54 1iti s LYS 25 CO 0.17 -1.22 0.00 0.25 -0.92 0.00 0.00 175.35 173.64 1iti n THR 26 N 4.09 0.00 1.28 2.17 -2.24 -1.26 -4.97 114.28 113.36 1iti n THR 26 Ca 0.13 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.05 1iti n THR 26 Cb 0.47 -1.43 0.56 0.00 -2.10 0.00 0.00 70.33 67.83 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 0.42 0.00 3.22 -0.00 -1.26 -3.51 117.00 115.87 1iti n LEU 27 Ca 0.00 0.07 0.05 0.00 -0.00 0.00 0.00 56.01 56.14 1iti n LEU 27 Cb 0.00 -0.24 0.23 0.00 -0.00 0.00 0.00 43.42 43.41 1iti n LEU 27 CO 0.00 0.08 0.67 0.00 -0.00 0.00 0.00 177.39 178.15 1iti h THR 29 N 0.00 1.31 0.00 0.00 1.35 -1.96 -2.77 112.91 110.85 1iti h THR 29 Ca 0.00 -1.98 0.00 0.00 -0.55 0.00 0.00 66.41 63.88 1iti h THR 29 Cb 0.19 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1iti h THR 29 CO 0.00 0.62 0.04 -0.62 -0.25 0.00 0.00 175.52 175.31 1iti n GLU 30 N -3.91 0.00 -2.83 4.72 1.02 -0.97 -3.95 120.64 114.72 1iti n GLU 30 Ca -0.06 0.24 -0.41 0.00 -0.02 0.00 0.00 57.16 56.91 1iti n GLU 30 Cb 0.71 -1.54 -0.04 0.00 -0.02 0.00 0.00 31.44 30.55 1iti n GLU 30 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1iti s LEU 31 N -2.41 4.32 -0.26 -4.62 1.43 -1.05 -5.01 118.68 111.10 1iti s LEU 31 Ca 0.00 1.46 -0.23 0.00 -1.03 0.00 0.00 54.13 54.33 1iti s LEU 31 Cb 0.00 -3.39 -0.01 0.00 0.03 0.00 0.00 46.19 42.82 1iti s LEU 31 CO 0.00 -0.25 0.75 0.42 0.23 0.00 0.00 176.35 177.50 1iti s THR 32 N 1.17 4.88 0.64 5.49 -4.23 -1.26 -3.33 115.64 119.01 1iti s THR 32 Ca 0.46 1.34 -0.04 0.00 -1.18 0.00 0.00 61.69 62.27 1iti s THR 32 Cb -0.19 -4.05 0.13 0.00 1.34 0.00 0.00 72.50 69.73 1iti s THR 32 CO 0.22 -0.07 0.88 1.33 -0.54 0.00 0.00 174.62 176.45 1iti n VAL 33 N 5.28 0.00 -3.11 2.29 0.24 0.29 -4.76 118.33 118.57 1iti n VAL 33 Ca 0.03 -1.14 -0.43 0.00 -2.04 0.00 0.00 64.34 60.76 1iti n VAL 33 Cb 0.48 -1.15 -0.07 0.00 -1.47 0.00 0.00 33.84 31.63 1iti n VAL 33 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1iti s THR 34 N -2.70 4.83 -0.12 3.34 2.01 -1.26 -0.84 115.64 120.89 1iti s THR 34 Ca 0.56 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 62.42 1iti s THR 34 Cb -0.03 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1iti s THR 34 CO 0.38 -0.58 1.62 -0.62 -0.69 0.00 0.00 174.62 174.73 1iti s ASP 35 N 1.99 6.57 0.09 3.53 -1.08 -1.25 -4.82 116.67 121.69 1iti s ASP 35 Ca 0.23 1.98 0.23 0.00 -0.52 0.00 0.00 52.55 54.47 1iti s ASP 35 Cb -0.14 -2.53 0.07 0.00 -1.46 0.00 0.00 42.92 38.86 1iti s ASP 35 CO 0.19 -1.05 1.05 2.30 0.52 0.00 0.00 175.17 178.18 1iti n ILE 36 N 5.83 0.28 0.07 4.11 -5.35 -1.26 -3.97 119.36 119.07 1iti n ILE 36 Ca 0.18 -0.32 -0.03 0.00 -0.27 0.00 0.00 62.75 62.30 1iti n ILE 36 Cb 0.44 0.03 -0.07 0.00 -1.74 0.00 0.00 39.64 38.29 1iti n ILE 36 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 1iti h PHE 37 N 0.00 0.00 0.00 4.28 0.04 -2.00 -3.19 116.94 116.07 1iti h PHE 37 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1iti h PHE 37 Cb 0.80 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.95 1iti h PHE 37 CO 0.00 0.78 0.00 0.00 -0.60 0.00 0.00 178.31 178.49 1iti n ALA 38 N -2.35 1.55 -3.30 2.45 0.00 -1.25 -3.93 120.51 113.68 1iti n ALA 38 Ca -0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 1iti n ALA 38 Cb 0.88 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.17 1iti n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iti s ALA 39 N -2.42 -1.25 -0.28 0.00 0.00 -1.21 -4.84 121.76 111.76 1iti s ALA 39 Ca 0.07 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 1iti s ALA 39 Cb 0.04 -2.35 0.13 0.00 0.00 0.00 0.00 23.12 20.94 1iti s ALA 39 CO 0.09 -2.18 0.27 0.45 0.00 0.00 0.00 175.76 174.40 1iti s SER 40 N 1.59 1.75 0.00 0.00 0.15 -1.25 -4.94 113.70 111.00 1iti s SER 40 Ca 0.17 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1iti s SER 40 Cb -0.11 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1iti s SER 40 CO -0.04 -0.38 0.00 0.29 1.20 0.00 0.00 173.24 174.30 1iti n LYS 41 N 5.31 0.00 -0.86 5.44 5.02 -1.26 -4.82 118.16 127.00 1iti n LYS 41 Ca -0.03 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.09 1iti n LYS 41 Cb 0.47 -0.27 0.11 0.00 -0.02 0.00 0.00 35.03 35.32 1iti n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iti n ASP 42 N -2.22 3.91 -3.83 4.39 9.92 -1.26 -4.86 116.55 122.60 1iti n ASP 42 Ca 0.00 -3.12 -0.12 0.00 -0.53 0.00 0.00 54.79 51.02 1iti n ASP 42 Cb 0.08 -0.76 -0.11 0.00 -0.64 0.00 0.00 41.12 39.68 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1iti s THR 43 N -2.35 0.04 0.00 -3.53 -4.23 -1.26 -5.14 115.64 99.17 1iti s THR 43 Ca 0.39 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1iti s THR 43 Cb 0.33 -0.38 0.00 0.00 1.34 0.00 0.00 72.50 73.79 1iti s THR 43 CO 0.06 -0.17 0.00 1.07 -0.54 0.00 0.00 174.62 175.04 1iti n THR 44 N 2.21 0.00 -0.03 3.99 5.66 -1.26 -4.95 114.28 119.90 1iti n THR 44 Ca -0.17 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.62 1iti n THR 44 Cb 0.57 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.22 1iti n THR 44 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1iti n GLU 45 N 0.00 0.73 -0.14 1.09 1.02 -1.26 -3.58 120.64 118.50 1iti n GLU 45 Ca 0.00 0.24 -0.05 0.00 -0.02 0.00 0.00 57.16 57.34 1iti n GLU 45 Cb 0.00 -1.67 0.02 0.00 -0.02 0.00 0.00 31.44 29.77 1iti n GLU 45 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1iti h LYS 46 N 0.02 -0.11 0.00 3.49 1.79 -2.00 0.38 116.57 120.14 1iti h LYS 46 Ca -0.46 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 57.96 1iti h LYS 46 Cb 1.98 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.65 1iti h LYS 46 CO 0.04 -0.07 -0.26 0.93 -1.08 0.00 0.00 179.45 179.00 1iti h GLU 47 N -0.12 0.00 0.85 3.15 4.39 -1.95 -2.66 114.58 118.25 1iti h GLU 47 Ca 0.22 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.88 1iti h GLU 47 Cb 0.45 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1iti h GLU 47 CO -0.53 0.26 -0.41 1.15 -1.16 0.00 0.00 179.01 178.32 1iti h THR 48 N 0.00 0.04 -0.95 1.13 2.02 -0.35 0.13 112.91 114.92 1iti h THR 48 Ca -0.00 -0.14 0.15 0.00 0.77 0.00 0.00 66.41 67.18 1iti h THR 48 Cb 0.49 0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 66.86 1iti h THR 48 CO 0.03 0.00 0.60 -0.26 0.37 0.00 0.00 175.52 176.27 1iti h PHE 49 N -1.28 0.95 0.71 3.16 0.04 -1.16 -0.25 116.94 119.11 1iti h PHE 49 Ca -0.12 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 1iti h PHE 49 Cb 0.88 -0.30 0.01 0.00 2.20 0.00 0.00 35.95 38.74 1iti h PHE 49 CO -0.00 0.33 -0.34 0.00 -0.60 0.00 0.00 178.31 177.70 1iti h ARG 51 N -1.20 0.27 -0.61 0.00 3.08 -0.24 0.88 114.38 116.57 1iti h ARG 51 Ca -0.10 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.06 1iti h ARG 51 Cb 0.75 -0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.65 1iti h ARG 51 CO 0.16 0.18 0.10 0.00 -1.07 0.00 0.00 179.97 179.34 1iti h ALA 52 N 1.59 0.70 -0.59 0.04 0.00 -0.97 -0.11 119.26 119.92 1iti h ALA 52 Ca 0.40 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1iti h ALA 52 Cb 0.67 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1iti h ALA 52 CO -0.49 -0.33 0.34 0.00 0.00 0.00 0.00 179.25 178.77 1iti h ALA 53 N 1.50 0.75 -0.93 0.00 0.00 -0.44 -2.07 119.26 118.07 1iti h ALA 53 Ca 0.32 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.36 1iti h ALA 53 Cb 0.50 -0.24 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 1iti h ALA 53 CO -0.44 0.25 0.48 1.15 0.00 0.00 0.00 179.25 180.70 1iti h THR 54 N 0.80 0.55 0.33 0.00 2.02 -0.20 0.39 112.91 116.80 1iti h THR 54 Ca 0.21 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1iti h THR 54 Cb 0.01 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.40 1iti h THR 54 CO -0.04 0.09 -0.16 0.58 0.37 0.00 0.00 175.52 176.37 1iti h VAL 55 N 0.52 0.00 -1.25 3.16 2.07 -0.97 -2.75 116.25 117.03 1iti h VAL 55 Ca 0.58 -0.33 0.36 0.00 0.82 0.00 0.00 66.70 68.13 1iti h VAL 55 Cb 1.05 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1iti h VAL 55 CO -0.48 0.00 0.90 -0.07 0.02 0.00 0.00 177.57 177.95 1iti h LEU 56 N -0.78 0.00 0.42 2.57 3.38 -0.96 -0.44 115.31 119.51 1iti h LEU 56 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1iti h LEU 56 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1iti h LEU 56 CO 0.08 0.00 -0.20 -0.09 0.09 0.00 0.00 178.44 178.31 1iti h ARG 57 N 0.00 -0.55 0.00 1.13 1.12 -0.13 -2.41 114.38 113.54 1iti h ARG 57 Ca 0.59 0.04 0.00 0.00 -1.11 0.00 0.00 59.98 59.50 1iti h ARG 57 Cb 2.40 0.12 0.00 0.00 -0.01 0.00 0.00 29.97 32.48 1iti h ARG 57 CO -0.01 -0.37 0.00 0.00 -3.11 0.00 0.00 179.97 176.49 1iti n GLN 58 N -3.87 0.16 -0.00 0.20 10.64 -0.53 -1.53 117.38 122.45 1iti n GLN 58 Ca -0.07 0.08 -0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1iti n GLN 58 Cb 0.22 -1.50 -0.00 0.00 -0.86 0.00 0.00 30.24 28.10 1iti n GLN 58 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.06 175.58 1iti h PHE 59 N 0.00 0.00 0.00 2.61 3.04 -0.65 -3.13 116.94 118.81 1iti h PHE 59 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1iti h PHE 59 Cb 0.02 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.53 1iti h PHE 59 CO 0.00 0.00 0.00 2.48 -2.02 0.00 0.00 178.31 178.77 1iti n TYR 60 N -2.13 0.00 -0.03 0.41 0.18 -1.01 -1.51 117.16 113.07 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 -0.12 -0.13 0.00 -0.38 0.00 0.00 39.34 38.71 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 -1.12 2.09 -0.01 9.48 7.64 -0.58 -3.38 113.62 127.73 1iti n SER 61 Ca 0.18 0.15 -0.22 0.00 1.01 0.00 0.00 58.87 59.99 1iti n SER 61 Cb 0.15 -0.78 -0.13 0.00 -1.01 0.00 0.00 64.21 62.43 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 -3.49 1.23 0.09 1.43 8.25 -1.18 -4.04 115.22 117.51 1iti n HIS 62 Ca -0.35 0.30 -0.13 0.00 -0.26 0.00 0.00 57.72 57.28 1iti n HIS 62 Cb 1.02 -1.15 -0.08 0.00 1.12 0.00 0.00 29.99 30.89 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 -0.14 -0.20 -0.22 4.41 3.86 -1.46 -1.75 115.15 119.66 1iti h HIS 63 Ca -0.41 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 58.86 1iti h HIS 63 Cb 1.90 0.07 -0.01 0.00 1.06 0.00 0.00 27.41 30.42 1iti h HIS 63 CO 0.08 0.10 0.68 1.49 0.86 0.00 0.00 177.93 181.14 1iti h GLU 64 N -0.50 0.00 0.00 2.45 4.22 -1.70 1.22 114.58 120.26 1iti h GLU 64 Ca -0.02 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.21 1iti h GLU 64 Cb 0.39 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1iti h GLU 64 CO 0.04 0.00 -1.73 1.63 -2.18 0.00 0.00 179.01 176.77 1iti n LYS 65 N -2.98 0.64 -2.84 1.92 4.76 -0.86 -4.90 118.16 113.90 1iti n LYS 65 Ca 0.04 0.13 -0.34 0.00 -2.87 0.00 0.00 58.31 55.27 1iti n LYS 65 Cb 0.77 -1.71 -0.07 0.00 -1.84 0.00 0.00 35.03 32.18 1iti n LYS 65 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1iti s ASP 66 N -5.59 6.98 -0.30 4.39 -1.08 0.42 -4.94 116.67 116.56 1iti s ASP 66 Ca -0.05 1.67 -0.02 0.00 -0.52 0.00 0.00 52.55 53.63 1iti s ASP 66 Cb 0.09 -2.53 0.09 0.00 -1.46 0.00 0.00 42.92 39.11 1iti s ASP 66 CO 0.83 -0.30 2.44 0.35 0.52 0.00 0.00 175.17 179.01 1iti n THR 67 N -0.44 2.91 -0.08 1.71 -2.24 -1.26 -4.29 114.28 110.59 1iti n THR 67 Ca 0.06 -1.96 -0.08 0.00 -2.27 0.00 0.00 64.05 59.79 1iti n THR 67 Cb 0.53 -1.51 -0.03 0.00 -2.10 0.00 0.00 70.33 67.23 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 0.87 0.49 0.01 -0.78 5.12 -1.26 -4.58 116.66 116.52 1iti n ARG 68 Ca 0.35 0.20 0.12 0.00 -1.93 0.00 0.00 57.85 56.60 1iti n ARG 68 Cb 0.60 -1.37 0.33 0.00 -1.16 0.00 0.00 32.46 30.86 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 0.00 0.49 0.00 0.00 3.38 -1.81 -3.47 115.31 113.90 1iti h LEU 70 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1iti h LEU 70 Cb 0.52 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1iti h LEU 70 CO 0.00 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1iti n GLY 71 N -1.49 -1.58 0.00 0.83 0.00 -1.25 -4.19 105.19 97.50 1iti n GLY 71 Ca 0.14 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 1.62 0.98 -1.05 4.61 0.00 -1.26 -4.98 120.51 120.42 1iti n ALA 72 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1iti n ALA 72 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 1iti n ALA 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1iti n THR 73 N -1.05 0.00 -0.01 0.00 -1.04 -1.26 -4.91 114.28 106.00 1iti n THR 73 Ca 0.00 -0.44 -0.11 0.00 -2.04 0.00 0.00 64.05 61.46 1iti n THR 73 Cb 0.00 -1.22 -0.14 0.00 -1.82 0.00 0.00 70.33 67.15 1iti n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iti n ALA 74 N -4.74 1.37 0.12 2.41 0.00 -1.26 -3.00 120.51 115.41 1iti n ALA 74 Ca -0.19 -0.72 -0.01 0.00 0.00 0.00 0.00 53.44 52.51 1iti n ALA 74 Cb 0.55 -0.83 0.22 0.00 0.00 0.00 0.00 19.45 19.39 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 0.01 0.13 0.00 0.00 3.07 -2.00 -2.87 115.11 113.45 1iti h GLN 75 Ca -0.31 -0.07 -0.20 0.00 0.09 0.00 0.00 58.65 58.16 1iti h GLN 75 Cb 2.02 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.55 1iti h GLN 75 CO 0.08 0.59 -1.02 0.37 0.09 0.00 0.00 178.83 178.94 1iti h GLN 76 N 0.11 0.00 -0.61 0.06 4.15 -1.92 -2.56 115.11 114.33 1iti h GLN 76 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 1iti h GLN 76 Cb 0.90 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 1iti h GLN 76 CO 0.07 0.77 0.13 0.35 -1.93 0.00 0.00 178.83 178.22 1iti h PHE 77 N 0.00 1.04 0.07 3.99 3.57 -1.42 -1.09 116.94 123.10 1iti h PHE 77 Ca -0.06 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.31 1iti h PHE 77 Cb 1.71 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1iti h PHE 77 CO 0.00 0.88 -0.03 1.25 -2.23 0.00 0.00 178.31 178.18 1iti h HIS 78 N 0.89 -0.09 -0.70 0.41 2.76 -1.59 -2.65 115.15 114.19 1iti h HIS 78 Ca 0.19 -0.00 0.20 0.00 -2.20 0.00 0.00 60.37 58.56 1iti h HIS 78 Cb 0.38 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.34 1iti h HIS 78 CO 0.03 0.26 0.67 -0.09 -1.30 0.00 0.00 177.93 177.50 1iti h ARG 79 N -0.99 0.00 0.02 5.26 2.43 -1.51 0.80 114.38 120.39 1iti h ARG 79 Ca -0.01 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1iti h ARG 79 Cb 0.39 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1iti h ARG 79 CO 0.02 0.00 -0.22 1.25 -1.51 0.00 0.00 179.97 179.50 1iti h HIS 80 N 0.00 0.18 -0.22 2.20 2.76 -1.21 -3.21 115.15 115.65 1iti h HIS 80 Ca 0.33 -0.11 0.05 0.00 -2.20 0.00 0.00 60.37 58.44 1iti h HIS 80 Cb 1.67 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 30.57 1iti h HIS 80 CO 0.00 1.00 -0.09 0.87 -1.30 0.00 0.00 177.93 178.41 1iti h LYS 81 N -0.69 -0.05 -1.01 5.26 1.79 -0.49 -0.37 116.57 121.00 1iti h LYS 81 Ca -0.03 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 58.68 1iti h LYS 81 Cb 1.08 0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 31.63 1iti h LYS 81 CO 0.04 -0.03 0.62 0.37 -1.08 0.00 0.00 179.45 179.37 1iti h GLN 82 N -0.05 0.54 0.87 3.15 5.75 -1.45 -1.11 115.11 122.81 1iti h GLN 82 Ca 0.12 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1iti h GLN 82 Cb 0.23 -0.12 0.01 0.00 1.07 0.00 0.00 27.48 28.66 1iti h GLN 82 CO -0.26 0.36 -0.42 1.25 -2.65 0.00 0.00 178.83 177.11 1iti h LEU 83 N 0.56 -0.99 -0.90 -2.39 6.46 -1.07 -1.45 115.31 115.52 1iti h LEU 83 Ca 0.62 0.03 0.23 0.00 -0.12 0.00 0.00 57.88 58.64 1iti h LEU 83 Cb 1.25 0.26 -0.13 0.00 -0.73 0.00 0.00 40.66 41.30 1iti h LEU 83 CO -0.41 -0.68 0.39 0.40 -0.62 0.00 0.00 178.44 177.51 1iti h ILE 84 N -1.22 0.43 -0.83 4.05 1.08 -0.88 0.49 117.51 120.62 1iti h ILE 84 Ca -0.12 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.22 1iti h ILE 84 Cb 0.90 0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.65 1iti h ILE 84 CO 0.20 0.07 0.50 0.03 -0.69 0.00 0.00 178.15 178.25 1iti h ARG 85 N 0.37 1.14 0.19 2.37 3.08 -0.95 -0.62 114.38 119.96 1iti h ARG 85 Ca 0.58 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.51 1iti h ARG 85 Cb 1.13 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1iti h ARG 85 CO -0.55 0.80 -0.09 0.74 -1.07 0.00 0.00 179.97 179.80 1iti h PHE 86 N 1.15 -0.24 -0.87 3.04 0.04 0.97 -0.78 116.94 120.25 1iti h PHE 86 Ca 0.30 -0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.18 1iti h PHE 86 Cb -0.04 0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.12 1iti h PHE 86 CO -0.00 0.07 0.56 -0.07 -0.60 0.00 0.00 178.31 178.27 1iti h LEU 87 N -0.55 0.70 -0.72 1.54 3.38 -0.90 0.40 115.31 119.15 1iti h LEU 87 Ca -0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iti h LEU 87 Cb 0.41 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1iti h LEU 87 CO 0.04 0.39 0.00 0.50 0.09 0.00 0.00 178.44 179.46 1iti h LYS 88 N 0.76 0.00 0.07 1.13 3.64 -0.89 -2.16 116.57 119.12 1iti h LYS 88 Ca 0.42 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1iti h LYS 88 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1iti h LYS 88 CO -0.19 0.00 -0.03 -0.09 -2.27 0.00 0.00 179.45 176.87 1iti h ARG 89 N 0.00 -0.09 -0.60 1.90 9.65 0.13 -3.10 114.38 122.27 1iti h ARG 89 Ca 0.00 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.95 1iti h ARG 89 Cb 0.70 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.27 1iti h ARG 89 CO 0.00 -0.06 0.40 1.37 2.80 0.00 0.00 179.97 184.48 1iti h LEU 90 N -0.36 0.51 -0.70 3.80 8.10 -1.54 -1.38 115.31 123.74 1iti h LEU 90 Ca -0.01 0.00 0.11 0.00 0.11 0.00 0.00 57.88 58.09 1iti h LEU 90 Cb 0.07 -0.11 -0.08 0.00 -0.44 0.00 0.00 40.66 40.11 1iti h LEU 90 CO 0.02 0.33 0.31 -0.78 -4.11 0.00 0.00 178.44 174.20 1iti h ASP 91 N 0.58 0.35 0.38 0.17 3.58 -1.49 0.80 116.42 120.79 1iti h ASP 91 Ca 0.26 0.08 -0.13 0.00 0.42 0.00 0.00 57.03 57.67 1iti h ASP 91 Cb 0.29 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1iti h ASP 91 CO -0.08 0.18 -0.53 0.03 -2.88 0.00 0.00 179.24 175.96 1iti h ARG 92 N 0.51 0.16 0.81 0.28 2.47 -1.18 -3.08 114.38 114.34 1iti h ARG 92 Ca 0.36 -0.10 -0.04 0.00 -1.26 0.00 0.00 59.98 58.94 1iti h ARG 92 Cb 0.46 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 28.80 1iti h ARG 92 CO -0.32 0.66 -0.39 -0.91 0.56 0.00 0.00 179.97 179.57 1iti h ASN 93 N 0.13 -0.92 0.00 7.04 4.21 -0.47 -0.27 115.58 125.31 1iti h ASN 93 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1iti h ASN 93 Cb 0.98 0.24 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 1iti h ASN 93 CO 0.08 -0.58 0.00 0.18 -1.29 0.00 0.00 177.43 175.81 1iti n LEU 94 N -5.51 0.00 0.26 1.61 4.77 -0.43 0.32 117.00 118.02 1iti n LEU 94 Ca -0.14 0.89 0.11 0.00 -0.03 0.00 0.00 56.01 56.85 1iti n LEU 94 Cb 0.43 -0.39 0.49 0.00 -2.33 0.00 0.00 43.42 41.62 1iti n LEU 94 CO 0.35 -0.39 1.10 -0.25 -1.33 0.00 0.00 177.39 176.87 1iti h TRP 95 N 0.00 0.00 0.20 -1.77 2.91 -1.62 0.22 115.95 115.88 1iti h TRP 95 Ca 0.00 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1iti h TRP 95 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1iti h TRP 95 CO -0.35 0.00 -0.09 0.78 -1.03 0.00 0.00 178.44 177.74 1iti h GLY 96 N 0.00 -0.28 2.00 2.65 0.00 0.17 -1.37 103.07 106.25 1iti h GLY 96 Ca 0.06 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 1iti h GLY 96 CO -0.00 -0.10 -0.15 0.17 0.00 0.00 0.00 176.54 176.46 1iti h LEU 97 N -1.04 0.00 0.20 3.11 8.10 0.87 -3.18 115.31 123.36 1iti h LEU 97 Ca -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.95 1iti h LEU 97 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.42 1iti h LEU 97 CO 0.04 0.15 -0.10 0.00 -4.11 0.00 0.00 178.44 174.43 1iti h ALA 98 N 1.85 -0.39 -4.18 0.17 0.00 -0.72 -3.50 119.26 112.49 1iti h ALA 98 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1iti h ALA 98 Cb 0.34 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1iti h ALA 98 CO 0.02 -0.38 -0.53 0.41 0.00 0.00 0.00 179.25 178.78 1iti n GLY 99 N 0.81 -3.48 3.17 0.00 0.00 -0.52 -5.07 105.19 100.10 1iti n GLY 99 Ca -0.03 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.97 1.07 0.00 0.99 1.43 -1.26 -5.12 118.68 114.82 1iti s LEU 100 Ca 0.01 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1iti s LEU 100 Cb -0.00 0.97 0.00 0.00 0.03 0.00 0.00 46.19 47.19 1iti s LEU 100 CO 0.43 -0.26 0.00 0.59 0.23 0.00 0.00 176.35 177.34 1iti n ASN 101 N 2.09 0.00 -4.73 2.29 3.02 -1.26 -4.92 115.26 111.76 1iti n ASN 101 Ca -0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.96 1iti n ASN 101 Cb 0.57 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.71 1iti n ASN 101 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1iti s SER 102 N -1.00 7.05 -0.44 6.41 1.04 -1.26 -4.94 113.70 120.57 1iti s SER 102 Ca 0.00 2.16 0.04 0.00 0.48 0.00 0.00 55.95 58.63 1iti s SER 102 Cb 0.00 -2.59 0.26 0.00 0.10 0.00 0.00 66.02 63.79 1iti s SER 102 CO 0.00 -0.44 1.03 0.00 0.98 0.00 0.00 173.24 174.81 1iti s PRO 104 N 0.46 3.14 0.12 0.00 0.05 -1.26 -4.86 135.00 132.66 1iti s PRO 104 Ca 0.29 2.06 -0.07 0.00 0.05 0.00 0.00 61.00 63.32 1iti s PRO 104 Cb 0.24 -2.17 -0.06 0.00 0.05 0.00 0.00 34.50 32.56 1iti s PRO 104 CO -0.18 -1.14 0.40 0.54 0.05 0.00 0.00 177.00 176.68 1iti s VAL 105 N -1.41 5.11 0.00 -0.36 0.11 -1.26 -5.00 120.40 117.60 1iti s VAL 105 Ca 0.73 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 60.03 1iti s VAL 105 Cb -0.36 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 1iti s VAL 105 CO 0.42 0.14 0.00 1.17 -3.33 0.00 0.00 175.10 173.49 1iti n LYS 106 N 0.42 0.00 -3.78 1.54 4.81 -1.26 -5.13 118.16 114.76 1iti n LYS 106 Ca -0.05 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.27 1iti n LYS 106 Cb 0.52 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.48 1iti n LYS 106 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1iti s GLU 107 N 2.49 0.61 0.00 1.64 2.02 -1.26 -5.16 118.70 119.04 1iti s GLU 107 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.80 1iti s GLU 107 Cb 0.00 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.50 1iti s GLU 107 CO 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 175.26 175.12 1iti n ALA 108 N 1.43 0.00 -1.57 5.21 0.00 -1.26 -4.94 120.51 119.38 1iti n ALA 108 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1iti n ALA 108 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -3.52 0.00 8.00 -1.26 -4.95 116.55 114.81 1iti n ASP 109 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 1iti n ASP 109 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1iti n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iti s GLN 110 N 2.09 1.30 0.18 -1.24 -2.07 -1.26 -3.87 119.66 114.79 1iti s GLN 110 Ca 0.00 -0.59 -0.13 0.00 -1.82 0.00 0.00 55.36 52.82 1iti s GLN 110 Cb 0.00 0.56 0.01 0.00 -1.09 0.00 0.00 33.01 32.49 1iti s GLN 110 CO 0.00 -0.56 0.40 -1.54 -1.32 0.00 0.00 175.29 172.27 1iti s SER 111 N -2.79 -0.09 0.11 12.60 1.04 -0.02 -4.52 113.70 120.04 1iti s SER 111 Ca 0.03 -0.73 -0.23 0.00 0.48 0.00 0.00 55.95 55.50 1iti s SER 111 Cb -0.01 0.51 -0.07 0.00 0.10 0.00 0.00 66.02 66.55 1iti s SER 111 CO -0.10 -0.98 0.69 0.42 0.98 0.00 0.00 173.24 174.25 1iti s THR 112 N -3.94 4.56 0.56 2.02 -4.23 -1.26 0.10 115.64 113.45 1iti s THR 112 Ca 0.15 1.50 0.36 0.00 -1.18 0.00 0.00 61.69 62.52 1iti s THR 112 Cb 0.01 -4.04 0.53 0.00 1.34 0.00 0.00 72.50 70.34 1iti s THR 112 CO -0.00 0.51 1.76 0.25 -0.54 0.00 0.00 174.62 176.60 1iti h LEU 113 N 4.60 0.00 0.00 4.79 5.85 -1.68 0.21 115.31 129.08 1iti h LEU 113 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1iti h LEU 113 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1iti h LEU 113 CO 0.66 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 179.97 1iti n GLU 114 N -4.01 0.00 -0.31 1.25 2.13 -1.26 -1.81 120.64 116.63 1iti n GLU 114 Ca 0.24 0.15 0.14 0.00 0.66 0.00 0.00 57.16 58.35 1iti n GLU 114 Cb 1.23 -0.93 0.32 0.00 0.27 0.00 0.00 31.44 32.33 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 0.38 -0.90 4.31 4.21 -1.88 0.43 115.58 122.12 1iti h ASN 115 Ca 0.00 0.15 0.13 0.00 1.21 0.00 0.00 56.30 57.79 1iti h ASN 115 Cb 0.00 0.12 -0.09 0.00 -1.12 0.00 0.00 38.32 37.24 1iti h ASN 115 CO 0.00 0.01 0.52 0.15 -1.29 0.00 0.00 177.43 176.82 1iti h PHE 116 N 0.42 0.94 0.00 1.19 3.04 -0.66 0.20 116.94 122.07 1iti h PHE 116 Ca 0.57 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.46 1iti h PHE 116 Cb 1.09 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.30 1iti h PHE 116 CO -0.12 0.32 -0.45 -0.07 -2.02 0.00 0.00 178.31 175.96 1iti h LEU 117 N 0.80 0.00 0.38 0.59 3.38 0.62 -2.36 115.31 118.73 1iti h LEU 117 Ca 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.42 1iti h LEU 117 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1iti h LEU 117 CO -0.30 0.45 -0.18 -0.08 0.09 0.00 0.00 178.44 178.42 1iti h GLU 118 N 0.00 -0.49 -1.00 1.13 4.57 0.20 -0.76 114.58 118.23 1iti h GLU 118 Ca -0.00 0.03 0.17 0.00 -1.18 0.00 0.00 59.36 58.37 1iti h GLU 118 Cb 0.91 0.11 -0.10 0.00 -0.16 0.00 0.00 28.75 29.51 1iti h GLU 118 CO 0.06 -0.33 0.62 0.07 -1.18 0.00 0.00 179.01 178.25 1iti h ARG 119 N -0.85 0.80 0.86 1.92 0.11 -1.32 0.10 114.38 116.01 1iti h ARG 119 Ca -0.05 -0.05 -0.04 0.00 0.10 0.00 0.00 59.98 59.94 1iti h ARG 119 Cb 0.39 -0.18 0.01 0.00 1.11 0.00 0.00 29.97 31.30 1iti h ARG 119 CO 0.09 0.53 -0.41 1.25 0.10 0.00 0.00 179.97 181.52 1iti h LEU 120 N 0.83 -0.98 -0.46 0.08 6.46 -1.43 0.25 115.31 120.06 1iti h LEU 120 Ca 0.54 0.03 0.09 0.00 -0.12 0.00 0.00 57.88 58.42 1iti h LEU 120 Cb 0.77 0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 40.87 1iti h LEU 120 CO -0.33 -0.64 -0.01 0.50 -0.62 0.00 0.00 178.44 177.34 1iti h LYS 121 N -1.28 0.10 -0.63 1.25 3.64 -0.50 0.04 116.57 119.19 1iti h LYS 121 Ca -0.12 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1iti h LYS 121 Cb 0.89 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 1iti h LYS 121 CO 0.19 0.06 0.39 1.15 -2.27 0.00 0.00 179.45 178.98 1iti h THR 122 N 0.10 1.09 -0.79 1.00 2.02 -0.72 -1.93 112.91 113.68 1iti h THR 122 Ca 0.23 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1iti h THR 122 Cb 0.34 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 1iti h THR 122 CO -0.40 0.14 0.50 0.40 0.37 0.00 0.00 175.52 176.54 1iti h ILE 123 N 0.78 1.13 0.27 3.11 2.04 0.11 -1.67 117.51 123.28 1iti h ILE 123 Ca 0.25 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1iti h ILE 123 Cb 0.01 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1iti h ILE 123 CO -0.10 0.18 -0.25 0.24 0.00 0.00 0.00 178.15 178.23 1iti h MET 124 N 0.99 -0.49 -0.19 2.37 2.86 -0.28 0.36 114.93 120.55 1iti h MET 124 Ca 0.31 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 58.04 1iti h MET 124 Cb -0.01 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1iti h MET 124 CO -0.10 -0.33 0.48 0.00 1.06 0.00 0.00 176.91 178.01 1iti h ARG 125 N -0.51 0.00 0.23 1.72 3.08 -1.36 0.68 114.38 118.22 1iti h ARG 125 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1iti h ARG 125 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1iti h ARG 125 CO -0.02 0.00 -0.11 1.49 -1.07 0.00 0.00 179.97 180.26 1iti h GLU 126 N 0.00 -0.30 0.00 0.04 4.81 -0.05 -3.24 114.58 115.84 1iti h GLU 126 Ca 0.09 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1iti h GLU 126 Cb 1.04 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1iti h GLU 126 CO -0.00 -0.09 0.00 1.63 -0.73 0.00 0.00 179.01 179.82 1iti n LYS 127 N -4.98 0.72 0.00 1.92 5.02 -0.07 -3.48 118.16 117.29 1iti n LYS 127 Ca -0.05 0.01 0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1iti n LYS 127 Cb 0.18 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.12 0.00 -2.17 2.13 9.36 0.23 -4.70 117.16 120.88 1iti n TYR 128 Ca 0.19 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.99 1iti n TYR 128 Cb 0.16 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.84 1iti n TYR 128 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1iti s SER 129 N -1.91 6.83 0.00 2.98 0.01 -1.23 -4.76 113.70 115.62 1iti s SER 129 Ca 0.07 2.33 0.00 0.00 1.31 0.00 0.00 55.95 59.66 1iti s SER 129 Cb 0.03 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1iti s SER 129 CO 0.06 -0.64 0.00 2.29 0.41 0.00 0.00 173.24 175.35 1iti n LYS 130 N 3.83 0.00 0.00 12.44 2.85 -1.26 -4.94 118.16 131.08 1iti n LYS 130 Ca 0.11 0.00 0.15 0.00 -1.05 0.00 0.00 58.31 57.52 1iti n LYS 130 Cb 0.42 0.00 0.83 0.00 -0.65 0.00 0.00 35.03 35.64 1iti n LYS 130 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iti s SER 132 N -2.29 0.91 0.00 0.00 1.04 -1.26 -5.08 113.70 107.01 1iti s SER 132 Ca 0.37 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1iti s SER 132 Cb 0.21 0.69 0.00 0.00 0.10 0.00 0.00 66.02 67.01 1iti s SER 132 CO 0.41 -0.32 0.00 -1.54 0.98 0.00 0.00 173.24 172.77