#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iti s ALA 2 N 0.00 -2.50 0.17 0.62 0.00 -1.26 -5.15 121.76 113.64 1iti s ALA 2 Ca 0.00 2.12 -0.25 0.00 0.00 0.00 0.00 51.96 53.83 1iti s ALA 2 Cb 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 23.12 21.15 1iti s ALA 2 CO 0.00 -0.67 0.78 -1.21 0.00 0.00 0.00 175.76 174.66 1iti s GLU 3 N 1.94 4.56 0.00 0.00 8.01 -1.26 -4.89 118.70 127.07 1iti s GLU 3 Ca -0.06 1.16 0.00 0.00 0.01 0.00 0.00 54.97 56.08 1iti s GLU 3 Cb -0.05 -3.25 0.00 0.00 -4.31 0.00 0.00 34.13 26.52 1iti s GLU 3 CO -0.16 0.57 0.00 0.00 0.01 0.00 0.00 175.26 175.68 1iti n ALA 4 N 1.57 0.00 -2.70 5.21 0.00 -1.26 -5.12 120.51 118.21 1iti n ALA 4 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 1iti n ALA 4 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 1iti n ALA 4 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1iti s HIS 5 N 0.00 0.06 0.00 0.00 -3.43 -1.26 -5.05 115.29 105.61 1iti s HIS 5 Ca 0.00 -0.42 0.00 0.00 -0.80 0.00 0.00 55.06 53.84 1iti s HIS 5 Cb 0.00 0.01 0.00 0.00 -1.43 0.00 0.00 32.58 31.16 1iti s HIS 5 CO 0.00 -0.55 0.22 0.36 -2.00 0.00 0.00 174.74 172.76 1iti n LYS 6 N 0.04 0.00 -1.68 -0.38 2.85 -1.26 -5.10 118.16 112.63 1iti n LYS 6 Ca -0.16 -0.04 -0.56 0.00 -1.05 0.00 0.00 58.31 56.50 1iti n LYS 6 Cb 0.62 -0.03 -0.07 0.00 -0.65 0.00 0.00 35.03 34.90 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iti s ASP 8 N 2.71 6.87 0.44 0.00 2.15 -1.26 -4.89 116.67 122.69 1iti s ASP 8 Ca 0.94 2.31 0.24 0.00 0.43 0.00 0.00 52.55 56.48 1iti s ASP 8 Cb -1.03 -2.59 0.49 0.00 -0.30 0.00 0.00 42.92 39.48 1iti s ASP 8 CO 0.60 -0.60 1.66 -0.29 -0.17 0.00 0.00 175.17 176.37 1iti h ILE 9 N 4.15 0.00 0.64 4.11 2.10 -2.01 -3.32 117.51 123.18 1iti h ILE 9 Ca -0.43 -0.92 -0.03 0.00 1.08 0.00 0.00 64.86 64.56 1iti h ILE 9 Cb 1.21 1.92 0.01 0.00 -1.09 0.00 0.00 36.82 38.86 1iti h ILE 9 CO 0.83 0.00 -0.31 0.74 -1.08 0.00 0.00 178.15 178.34 1iti h THR 10 N 0.00 0.29 -0.08 2.19 2.02 -1.99 -1.27 112.91 114.07 1iti h THR 10 Ca 0.00 -0.20 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1iti h THR 10 Cb 0.93 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1iti h THR 10 CO 0.00 0.02 0.38 -0.07 0.37 0.00 0.00 175.52 176.22 1iti h LEU 11 N -1.01 0.00 0.00 2.58 3.38 -1.98 -0.60 115.31 117.68 1iti h LEU 11 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1iti h LEU 11 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1iti h LEU 11 CO 0.14 0.00 0.00 1.67 0.09 0.00 0.00 178.44 180.34 1iti n GLN 12 N -3.04 0.00 -0.00 1.13 7.27 -0.75 -2.46 117.38 119.54 1iti n GLN 12 Ca -0.00 0.45 0.23 0.00 0.07 0.00 0.00 57.00 57.74 1iti n GLN 12 Cb 0.45 -0.95 0.61 0.00 2.41 0.00 0.00 30.24 32.76 1iti n GLN 12 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 1iti h GLU 13 N 0.00 0.00 0.12 3.69 4.11 -1.01 -1.09 114.58 120.40 1iti h GLU 13 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1iti h GLU 13 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1iti h GLU 13 CO 0.00 0.00 -0.06 0.82 0.07 0.00 0.00 179.01 179.84 1iti h ILE 14 N 0.00 0.00 -0.83 -1.06 2.04 -1.21 -2.38 117.51 114.08 1iti h ILE 14 Ca 0.29 -0.24 0.20 0.00 1.00 0.00 0.00 64.86 66.11 1iti h ILE 14 Cb 1.81 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.76 1iti h ILE 14 CO -0.00 0.00 0.25 0.40 0.00 0.00 0.00 178.15 178.80 1iti h ILE 15 N -0.40 0.43 -0.90 -0.67 2.04 -0.99 0.43 117.51 117.46 1iti h ILE 15 Ca -0.02 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.80 1iti h ILE 15 Cb 0.12 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.27 1iti h ILE 15 CO 0.03 0.05 0.57 0.50 0.00 0.00 0.00 178.15 179.29 1iti h LYS 16 N 0.28 1.01 -0.83 2.37 3.64 -1.32 -1.14 116.57 120.59 1iti h LYS 16 Ca 0.50 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.80 1iti h LYS 16 Cb 0.94 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.49 1iti h LYS 16 CO -0.57 0.67 0.45 1.15 -2.27 0.00 0.00 179.45 178.89 1iti h THR 17 N 1.04 1.24 -0.81 1.00 2.02 0.39 -2.17 112.91 115.63 1iti h THR 17 Ca 0.38 -0.60 0.02 0.00 0.77 0.00 0.00 66.41 66.99 1iti h THR 17 Cb 0.14 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 1iti h THR 17 CO -0.16 0.27 0.52 -0.07 0.37 0.00 0.00 175.52 176.45 1iti h LEU 18 N 1.15 0.88 -0.82 2.58 3.38 -0.48 -1.24 115.31 120.76 1iti h LEU 18 Ca 0.29 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1iti h LEU 18 Cb 0.02 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1iti h LEU 18 CO -0.05 0.61 0.43 0.78 0.09 0.00 0.00 178.44 180.31 1iti h ASN 19 N 1.03 1.05 -0.49 -0.43 4.21 -1.03 -1.83 115.58 118.09 1iti h ASN 19 Ca 0.31 -0.11 -0.04 0.00 1.21 0.00 0.00 56.30 57.67 1iti h ASN 19 Cb -0.03 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 36.88 1iti h ASN 19 CO -0.10 0.86 0.16 0.28 -1.29 0.00 0.00 177.43 177.34 1iti h SER 20 N 1.15 0.71 -0.90 5.81 0.02 -0.96 -2.22 113.55 117.17 1iti h SER 20 Ca 0.29 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1iti h SER 20 Cb 0.06 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1iti h SER 20 CO -0.04 0.72 0.57 -0.07 -1.14 0.00 0.00 176.83 176.87 1iti h LEU 21 N 0.66 1.05 -1.34 5.07 3.38 -0.85 -1.27 115.31 122.01 1iti h LEU 21 Ca 0.16 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1iti h LEU 21 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1iti h LEU 21 CO -0.01 0.78 -0.26 0.71 0.09 0.00 0.00 178.44 179.76 1iti h THR 22 N 1.23 1.22 -0.08 0.22 1.35 -0.97 -2.22 112.91 113.65 1iti h THR 22 Ca 0.33 -1.01 -0.07 0.00 -0.55 0.00 0.00 66.41 65.11 1iti h THR 22 Cb -0.10 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 1iti h THR 22 CO -0.07 0.30 -0.26 -0.33 -0.25 0.00 0.00 175.52 174.91 1iti h GLU 23 N 0.10 0.14 -6.49 4.72 4.39 -0.63 -3.43 114.58 113.38 1iti h GLU 23 Ca 0.02 -0.04 -0.51 0.00 0.34 0.00 0.00 59.36 59.16 1iti h GLU 23 Cb 0.52 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1iti h GLU 23 CO 0.04 0.40 -0.16 -0.65 -1.16 0.00 0.00 179.01 177.47 1iti s GLN 24 N -4.45 3.58 -0.13 2.33 1.11 -0.84 -5.10 119.66 116.16 1iti s GLN 24 Ca -0.04 -0.10 -0.10 0.00 0.01 0.00 0.00 55.36 55.13 1iti s GLN 24 Cb 0.15 -2.66 0.04 0.00 -1.01 0.00 0.00 33.01 29.53 1iti s GLN 24 CO 0.73 0.20 0.34 0.15 0.01 0.00 0.00 175.29 176.72 1iti s LYS 25 N -3.75 0.36 0.24 2.91 1.02 -1.26 -4.94 119.74 114.32 1iti s LYS 25 Ca 0.43 0.57 -0.06 0.00 0.02 0.00 0.00 55.97 56.92 1iti s LYS 25 Cb -0.10 0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.26 1iti s LYS 25 CO 0.32 -0.10 0.32 0.95 -0.92 0.00 0.00 175.35 175.92 1iti s THR 26 N 0.71 0.00 0.25 2.17 -4.23 -1.26 -5.02 115.64 108.27 1iti s THR 26 Ca -0.04 -1.71 0.36 0.00 -1.18 0.00 0.00 61.69 59.11 1iti s THR 26 Cb -0.06 -2.39 0.40 0.00 1.34 0.00 0.00 72.50 71.79 1iti s THR 26 CO -0.05 0.00 2.08 0.17 -0.54 0.00 0.00 174.62 176.28 1iti h LEU 27 N 2.39 0.00 -0.17 4.79 8.10 -1.95 -2.30 115.31 126.17 1iti h LEU 27 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.68 1iti h LEU 27 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.47 1iti h LEU 27 CO 0.43 0.01 0.06 0.00 -4.11 0.00 0.00 178.44 174.84 1iti h THR 29 N 0.00 1.30 -0.11 0.00 1.35 -1.84 -3.12 112.91 110.50 1iti h THR 29 Ca 0.00 -2.50 0.03 0.00 -0.55 0.00 0.00 66.41 63.39 1iti h THR 29 Cb 0.12 2.69 -0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1iti h THR 29 CO 0.00 0.76 0.39 -0.33 -0.25 0.00 0.00 175.52 176.09 1iti h GLU 30 N 0.26 0.00 -6.58 4.72 4.39 -1.27 -3.33 114.58 112.77 1iti h GLU 30 Ca -0.18 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.00 1iti h GLU 30 Cb 1.90 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 30.60 1iti h GLU 30 CO 0.23 0.00 1.02 -0.51 -1.16 0.00 0.00 179.01 178.59 1iti s LEU 31 N -6.15 4.38 -0.37 1.33 1.43 -1.18 -4.92 118.68 113.19 1iti s LEU 31 Ca -0.03 2.75 -0.24 0.00 -1.03 0.00 0.00 54.13 55.58 1iti s LEU 31 Cb 0.10 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.75 1iti s LEU 31 CO 0.33 -0.95 0.83 0.42 0.23 0.00 0.00 176.35 177.22 1iti s THR 32 N 1.82 4.68 0.76 5.49 -4.23 -1.26 -3.43 115.64 119.46 1iti s THR 32 Ca 0.76 0.97 -0.08 0.00 -1.18 0.00 0.00 61.69 62.15 1iti s THR 32 Cb -0.47 -4.26 0.17 0.00 1.34 0.00 0.00 72.50 69.28 1iti s THR 32 CO 0.33 -0.48 1.03 1.33 -0.54 0.00 0.00 174.62 176.29 1iti n VAL 33 N 5.87 0.00 -3.34 2.29 0.24 0.61 -4.69 118.33 119.31 1iti n VAL 33 Ca 0.04 -1.07 -0.38 0.00 -2.04 0.00 0.00 64.34 60.89 1iti n VAL 33 Cb 0.48 -1.31 -0.06 0.00 -1.47 0.00 0.00 33.84 31.48 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 -3.16 4.90 -0.25 3.34 2.01 -1.26 0.31 115.64 121.52 1iti s THR 34 Ca 0.62 1.07 -0.19 0.00 0.31 0.00 0.00 61.69 63.50 1iti s THR 34 Cb -0.02 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 1iti s THR 34 CO 0.43 0.52 0.56 -0.62 -0.69 0.00 0.00 174.62 174.82 1iti s ASP 35 N -0.82 6.50 0.08 3.53 -1.08 -1.26 -4.71 116.67 118.91 1iti s ASP 35 Ca 0.27 0.60 0.20 0.00 -0.52 0.00 0.00 52.55 53.10 1iti s ASP 35 Cb -0.18 -2.30 -0.13 0.00 -1.46 0.00 0.00 42.92 38.85 1iti s ASP 35 CO 0.16 -0.31 0.79 2.30 0.52 0.00 0.00 175.17 178.63 1iti n ILE 36 N 5.13 0.80 0.54 4.11 -5.35 -1.26 -3.87 119.36 119.47 1iti n ILE 36 Ca -0.03 -0.62 0.13 0.00 -0.27 0.00 0.00 62.75 61.96 1iti n ILE 36 Cb 0.49 -0.45 0.40 0.00 -1.74 0.00 0.00 39.64 38.34 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 -3.07 116.94 116.19 1iti h PHE 37 Ca -0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1iti h PHE 37 Cb 1.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.48 1iti h PHE 37 CO 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 1iti n ALA 38 N -1.83 2.18 -3.06 2.45 0.00 -1.25 -4.21 120.51 114.78 1iti n ALA 38 Ca 0.05 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.43 1iti n ALA 38 Cb 0.41 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.00 -3.02 -0.42 0.00 0.00 -1.16 -4.87 121.76 110.28 1iti s ALA 39 Ca 0.16 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.70 1iti s ALA 39 Cb 0.07 -2.83 0.17 0.00 0.00 0.00 0.00 23.12 20.53 1iti s ALA 39 CO 0.12 -2.31 0.43 -1.54 0.00 0.00 0.00 175.76 172.47 1iti s SER 40 N 1.86 0.75 -0.06 0.00 1.04 -1.26 -4.96 113.70 111.07 1iti s SER 40 Ca 0.16 -2.20 -0.03 0.00 0.48 0.00 0.00 55.95 54.36 1iti s SER 40 Cb -0.02 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 1iti s SER 40 CO -0.09 -0.18 -0.07 0.11 0.98 0.00 0.00 173.24 173.99 1iti h LYS 41 N 6.08 0.00 0.00 4.02 1.57 -1.97 -3.41 116.57 122.86 1iti h LYS 41 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1iti h LYS 41 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1iti h LYS 41 CO 0.22 0.00 -1.14 -0.40 -0.57 0.00 0.00 179.45 177.56 1iti n ASP 42 N -3.21 0.64 -4.68 0.86 5.75 -1.26 -4.90 116.55 109.75 1iti n ASP 42 Ca -0.03 0.13 -0.52 0.00 -0.01 0.00 0.00 54.79 54.37 1iti n ASP 42 Cb 0.10 0.76 -0.06 0.00 -1.03 0.00 0.00 41.12 40.89 1iti n ASP 42 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1iti n THR 43 N -2.39 0.36 -2.38 2.12 -2.24 -1.26 -4.95 114.28 103.53 1iti n THR 43 Ca 0.00 -0.06 -0.17 0.00 -2.27 0.00 0.00 64.05 61.54 1iti n THR 43 Cb 0.52 -1.49 0.10 0.00 -2.10 0.00 0.00 70.33 67.35 1iti n THR 43 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1iti n THR 44 N 4.47 0.00 0.27 4.28 -2.24 -1.26 -4.90 114.28 114.90 1iti n THR 44 Ca 0.23 -1.07 0.16 0.00 -2.27 0.00 0.00 64.05 61.10 1iti n THR 44 Cb 0.22 -1.12 0.89 0.00 -2.10 0.00 0.00 70.33 68.22 1iti n THR 44 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1iti h GLU 45 N 0.00 0.00 0.46 -0.78 3.07 -2.00 -2.56 114.58 112.77 1iti h GLU 45 Ca -0.25 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.59 1iti h GLU 45 Cb 0.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1iti h GLU 45 CO 0.25 0.00 -0.22 0.87 -1.40 0.00 0.00 179.01 178.51 1iti h LYS 46 N 0.00 -0.59 0.00 2.33 1.79 -1.99 -2.55 116.57 115.56 1iti h LYS 46 Ca 0.03 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1iti h LYS 46 Cb 0.18 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1iti h LYS 46 CO -0.00 -0.40 0.19 0.93 -1.08 0.00 0.00 179.45 179.09 1iti h GLU 47 N -0.81 0.00 0.23 3.15 4.39 -1.86 -1.89 114.58 117.78 1iti h GLU 47 Ca -0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1iti h GLU 47 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1iti h GLU 47 CO 0.10 0.00 -0.11 1.15 -1.16 0.00 0.00 179.01 178.99 1iti h THR 48 N 0.00 0.42 -0.11 1.13 2.02 -1.06 -0.53 112.91 114.77 1iti h THR 48 Ca 0.00 -0.93 0.03 0.00 0.77 0.00 0.00 66.41 66.28 1iti h THR 48 Cb 0.38 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1iti h THR 48 CO 0.00 0.11 0.08 -0.26 0.37 0.00 0.00 175.52 175.82 1iti h PHE 49 N -1.00 0.00 0.19 3.16 0.04 -1.02 -0.70 116.94 117.61 1iti h PHE 49 Ca -0.03 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1iti h PHE 49 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1iti h PHE 49 CO 0.04 0.00 -0.09 0.00 -0.60 0.00 0.00 178.31 177.66 1iti h ARG 51 N -0.87 0.31 -0.32 0.00 3.08 -0.95 0.13 114.38 115.77 1iti h ARG 51 Ca -0.03 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1iti h ARG 51 Cb 0.20 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1iti h ARG 51 CO 0.04 0.20 0.15 0.00 -1.07 0.00 0.00 179.97 179.30 1iti h ALA 52 N 1.65 0.39 -0.82 0.04 0.00 -1.22 -2.08 119.26 117.22 1iti h ALA 52 Ca 0.47 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1iti h ALA 52 Cb 0.83 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1iti h ALA 52 CO -0.52 -0.23 0.49 0.00 0.00 0.00 0.00 179.25 179.00 1iti h ALA 53 N 1.17 1.05 -0.61 0.00 0.00 -0.34 -2.36 119.26 118.16 1iti h ALA 53 Ca 0.13 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1iti h ALA 53 Cb 0.05 -0.33 -0.09 0.00 0.00 0.00 0.00 17.79 17.42 1iti h ALA 53 CO -0.10 0.51 0.13 1.15 0.00 0.00 0.00 179.25 180.95 1iti h THR 54 N 1.13 0.62 0.83 0.00 2.02 -0.27 -0.03 112.91 117.21 1iti h THR 54 Ca 0.29 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.35 1iti h THR 54 Cb -0.04 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1iti h THR 54 CO -0.05 0.05 -0.40 0.58 0.37 0.00 0.00 175.52 176.06 1iti h VAL 55 N 0.26 0.16 -1.12 3.16 2.07 -1.07 -2.03 116.25 117.67 1iti h VAL 55 Ca 0.32 -0.05 0.31 0.00 0.82 0.00 0.00 66.70 68.11 1iti h VAL 55 Cb 0.49 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 1iti h VAL 55 CO -0.42 0.00 0.78 -0.07 0.02 0.00 0.00 177.57 177.88 1iti h LEU 56 N -1.15 0.16 0.47 2.57 3.38 -1.09 -0.11 115.31 119.55 1iti h LEU 56 Ca -0.11 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1iti h LEU 56 Cb 0.86 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1iti h LEU 56 CO 0.19 0.02 -0.23 -0.09 0.09 0.00 0.00 178.44 178.42 1iti h ARG 57 N 0.14 -0.61 0.00 1.13 2.43 -0.30 -2.14 114.38 115.03 1iti h ARG 57 Ca 0.57 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.78 1iti h ARG 57 Cb 1.98 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.66 1iti h ARG 57 CO -0.12 -0.41 0.00 0.00 -1.51 0.00 0.00 179.97 177.94 1iti n GLN 58 N -3.90 0.17 0.00 0.20 10.64 -0.64 -1.70 117.38 122.14 1iti n GLN 58 Ca -0.08 0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1iti n GLN 58 Cb 0.25 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.13 1iti n GLN 58 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1iti n PHE 59 N -1.11 0.00 0.51 2.61 7.35 -0.15 -2.66 117.46 124.01 1iti n PHE 59 Ca 0.04 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.79 1iti n PHE 59 Cb 0.03 -0.20 0.29 0.00 0.35 0.00 0.00 39.48 39.96 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 -1.48 0.00 -0.05 -5.13 0.18 -0.97 -1.75 117.16 107.96 1iti n TYR 60 Ca 0.00 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.56 1iti n TYR 60 Cb 0.00 -0.40 -0.13 0.00 -0.38 0.00 0.00 39.34 38.44 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 -1.40 2.01 -0.70 9.48 7.64 -0.69 -2.59 113.62 127.38 1iti n SER 61 Ca 0.04 0.30 0.06 0.00 1.01 0.00 0.00 58.87 60.29 1iti n SER 61 Cb 0.12 -0.91 0.17 0.00 -1.01 0.00 0.00 64.21 62.58 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 -3.92 0.50 0.01 1.43 8.25 -1.09 -4.10 115.22 116.31 1iti n HIS 62 Ca -0.33 -0.25 -0.00 0.00 -0.26 0.00 0.00 57.72 56.88 1iti n HIS 62 Cb 0.88 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.99 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 0.61 0.00 -0.14 4.41 8.25 -0.72 -4.46 115.22 123.17 1iti n HIS 63 Ca 0.13 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.51 1iti n HIS 63 Cb 0.32 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.01 -0.26 0.00 -0.41 4.57 -1.68 1.08 114.58 117.87 1iti h GLU 64 Ca -0.01 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1iti h GLU 64 Cb 0.83 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1iti h GLU 64 CO -0.00 -0.17 0.00 0.87 -1.18 0.00 0.00 179.01 178.52 1iti h LYS 65 N -0.27 0.00 -6.51 1.92 1.57 -1.80 -3.41 116.57 108.06 1iti h LYS 65 Ca 0.17 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.42 1iti h LYS 65 Cb 0.56 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1iti h LYS 65 CO -0.58 0.00 0.10 0.34 -0.57 0.00 0.00 179.45 178.74 1iti s ASP 66 N -5.24 7.11 -0.43 0.86 -1.08 0.37 -4.96 116.67 113.31 1iti s ASP 66 Ca -0.04 1.43 -0.01 0.00 -0.52 0.00 0.00 52.55 53.41 1iti s ASP 66 Cb 0.12 -2.42 0.30 0.00 -1.46 0.00 0.00 42.92 39.46 1iti s ASP 66 CO 0.43 0.10 2.00 0.35 0.52 0.00 0.00 175.17 178.56 1iti n THR 67 N 1.00 3.03 -0.09 1.71 -2.24 -1.26 -4.32 114.28 112.11 1iti n THR 67 Ca -0.04 -2.03 -0.23 0.00 -2.27 0.00 0.00 64.05 59.48 1iti n THR 67 Cb 0.51 -1.24 -0.12 0.00 -2.10 0.00 0.00 70.33 67.38 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 -0.11 0.63 -0.12 -0.78 5.12 -1.26 -4.15 116.66 115.99 1iti n ARG 68 Ca 0.41 0.36 0.06 0.00 -1.93 0.00 0.00 57.85 56.75 1iti n ARG 68 Cb 0.65 -1.65 0.20 0.00 -1.16 0.00 0.00 32.46 30.50 1iti n ARG 68 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iti n LEU 70 N 0.23 0.00 0.00 0.00 4.77 -1.26 -4.86 117.00 115.88 1iti n LEU 70 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1iti n LEU 70 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1iti n LEU 70 CO 0.08 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 1iti n GLY 71 N 4.95 0.60 0.00 -0.72 0.00 -1.26 -4.87 105.19 103.88 1iti n GLY 71 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.88 0.00 -1.16 4.61 0.00 -1.26 -5.10 120.51 116.71 1iti n ALA 72 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1iti n ALA 72 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.36 1.94 -0.15 0.00 -4.23 -1.26 -4.96 115.64 106.62 1iti s THR 73 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.39 1iti s THR 73 Cb 0.00 -2.50 -0.24 0.00 1.34 0.00 0.00 72.50 71.10 1iti s THR 73 CO 0.00 0.00 0.32 0.00 -0.54 0.00 0.00 174.62 174.40 1iti h ALA 74 N -2.03 0.37 -0.89 3.99 0.00 -2.01 -3.12 119.26 115.57 1iti h ALA 74 Ca -0.53 -1.32 0.21 0.00 0.00 0.00 0.00 54.91 53.27 1iti h ALA 74 Cb 1.33 0.72 -0.12 0.00 0.00 0.00 0.00 17.79 19.71 1iti h ALA 74 CO 0.54 1.09 0.38 -0.56 0.00 0.00 0.00 179.25 180.70 1iti h GLN 75 N -0.31 0.38 0.00 0.00 3.07 -2.00 0.47 115.11 116.72 1iti h GLN 75 Ca -0.40 -0.02 -0.16 0.00 0.09 0.00 0.00 58.65 58.16 1iti h GLN 75 Cb 1.78 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 29.23 1iti h GLN 75 CO -0.01 0.25 -0.75 0.37 0.09 0.00 0.00 178.83 178.78 1iti h GLN 76 N 0.39 0.00 -0.87 0.06 5.75 -1.95 -2.58 115.11 115.92 1iti h GLN 76 Ca 0.55 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 59.04 1iti h GLN 76 Cb 1.03 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.54 1iti h GLN 76 CO -0.53 0.75 0.49 0.35 -2.65 0.00 0.00 178.83 177.25 1iti h PHE 77 N 0.00 1.18 0.04 3.99 3.57 -0.05 -1.71 116.94 123.97 1iti h PHE 77 Ca -0.01 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1iti h PHE 77 Cb 1.46 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1iti h PHE 77 CO 0.00 0.80 -0.02 1.25 -2.23 0.00 0.00 178.31 178.11 1iti h HIS 78 N 1.21 -0.05 -0.42 0.41 2.76 -1.27 -2.76 115.15 115.02 1iti h HIS 78 Ca 0.31 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.60 1iti h HIS 78 Cb -0.00 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 1iti h HIS 78 CO 0.00 0.40 0.72 -0.09 -1.30 0.00 0.00 177.93 177.67 1iti h ARG 79 N -0.98 0.00 0.00 5.26 2.43 -1.45 -0.33 114.38 119.31 1iti h ARG 79 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1iti h ARG 79 Cb 0.48 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1iti h ARG 79 CO 0.01 0.00 -0.21 1.25 -1.51 0.00 0.00 179.97 179.51 1iti h HIS 80 N 0.00 0.00 -0.71 2.20 2.76 -1.31 -3.19 115.15 114.91 1iti h HIS 80 Ca 0.20 0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.51 1iti h HIS 80 Cb 1.64 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 30.50 1iti h HIS 80 CO 0.00 0.35 0.20 0.87 -1.30 0.00 0.00 177.93 178.05 1iti h LYS 81 N -1.00 0.30 -0.46 5.26 1.79 -0.81 0.24 116.57 121.88 1iti h LYS 81 Ca -0.03 -0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.50 1iti h LYS 81 Cb 0.44 -0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 30.95 1iti h LYS 81 CO -0.02 0.20 0.08 0.37 -1.08 0.00 0.00 179.45 179.00 1iti h GLN 82 N 0.31 0.21 0.24 3.15 4.15 -1.34 -1.36 115.11 120.46 1iti h GLN 82 Ca 0.39 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.81 1iti h GLN 82 Cb 0.64 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 1iti h GLN 82 CO -0.46 0.14 -0.46 1.25 -1.93 0.00 0.00 178.83 177.36 1iti h LEU 83 N 0.21 -1.34 -0.87 -2.39 6.46 -0.94 -1.19 115.31 115.25 1iti h LEU 83 Ca 0.23 0.13 0.21 0.00 -0.12 0.00 0.00 57.88 58.33 1iti h LEU 83 Cb 0.30 0.48 -0.12 0.00 -0.73 0.00 0.00 40.66 40.59 1iti h LEU 83 CO -0.31 -0.56 0.34 0.40 -0.62 0.00 0.00 178.44 177.69 1iti h ILE 84 N -0.78 0.47 -0.72 4.05 1.08 -0.96 0.24 117.51 120.89 1iti h ILE 84 Ca -0.01 -0.13 0.13 0.00 -0.39 0.00 0.00 64.86 64.47 1iti h ILE 84 Cb 0.75 0.08 -0.09 0.00 -3.07 0.00 0.00 36.82 34.49 1iti h ILE 84 CO -0.19 0.07 0.28 0.03 -0.69 0.00 0.00 178.15 177.64 1iti h ARG 85 N 0.37 0.41 0.82 2.37 3.08 -0.12 0.18 114.38 121.49 1iti h ARG 85 Ca 0.53 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.51 1iti h ARG 85 Cb 0.99 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.95 1iti h ARG 85 CO -0.53 0.27 -0.40 0.74 -1.07 0.00 0.00 179.97 178.98 1iti h PHE 86 N 0.43 -1.03 -0.88 3.04 0.04 -0.09 -1.59 116.94 116.86 1iti h PHE 86 Ca 0.39 -0.02 0.18 0.00 2.80 0.00 0.00 57.97 61.32 1iti h PHE 86 Cb 0.57 0.34 -0.11 0.00 2.20 0.00 0.00 35.95 38.95 1iti h PHE 86 CO -0.17 -0.63 0.43 -0.07 -0.60 0.00 0.00 178.31 177.27 1iti h LEU 87 N -1.25 0.46 -1.95 1.54 3.38 -1.01 0.75 115.31 117.23 1iti h LEU 87 Ca -0.11 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1iti h LEU 87 Cb 0.86 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1iti h LEU 87 CO 0.19 0.12 -0.11 0.11 0.09 0.00 0.00 178.44 178.84 1iti h LYS 88 N 0.53 0.00 0.04 1.13 1.57 -0.45 0.38 116.57 119.77 1iti h LYS 88 Ca 0.52 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1iti h LYS 88 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1iti h LYS 88 CO -0.44 0.11 -0.02 -0.09 -0.57 0.00 0.00 179.45 178.44 1iti h ARG 89 N 0.00 -0.05 0.00 3.15 2.43 0.15 -3.26 114.38 116.80 1iti h ARG 89 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1iti h ARG 89 Cb 0.24 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1iti h ARG 89 CO 0.01 -0.03 0.00 1.47 -1.51 0.00 0.00 179.97 179.91 1iti n LEU 90 N -2.97 0.00 -0.04 3.80 -0.00 -0.68 -2.11 117.00 115.00 1iti n LEU 90 Ca -0.01 0.29 -0.13 0.00 -0.00 0.00 0.00 56.01 56.16 1iti n LEU 90 Cb 0.02 -0.29 -0.08 0.00 -0.00 0.00 0.00 43.42 43.07 1iti n LEU 90 CO 0.02 -0.27 0.59 -0.78 -0.00 0.00 0.00 177.39 176.95 1iti h ASP 91 N 0.00 0.30 0.73 1.45 1.82 -0.95 -2.73 116.42 117.04 1iti h ASP 91 Ca 0.00 -0.50 -0.25 0.00 -0.39 0.00 0.00 57.03 55.89 1iti h ASP 91 Cb 0.02 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 39.90 1iti h ASP 91 CO 0.00 0.74 -1.37 0.03 -1.61 0.00 0.00 179.24 177.03 1iti h ARG 92 N -0.13 0.01 0.49 0.28 -0.00 -1.52 -3.11 114.38 110.39 1iti h ARG 92 Ca 0.01 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.46 1iti h ARG 92 Cb 0.66 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.63 1iti h ARG 92 CO 0.03 0.75 -0.30 -0.91 0.00 0.00 0.00 179.97 179.55 1iti h ASN 93 N 0.00 -0.74 -0.44 7.04 -0.26 -1.55 2.17 115.58 121.80 1iti h ASN 93 Ca -0.15 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.62 1iti h ASN 93 Cb 1.90 0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 39.35 1iti h ASN 93 CO 0.11 -0.47 0.23 -0.07 -1.06 0.00 0.00 177.43 176.16 1iti h LEU 94 N -0.75 0.57 0.00 1.61 3.38 -1.63 -1.23 115.31 117.26 1iti h LEU 94 Ca -0.06 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1iti h LEU 94 Cb 0.61 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1iti h LEU 94 CO 0.06 0.52 0.00 1.87 0.09 0.00 0.00 178.44 180.98 1iti n TRP 95 N -4.67 0.00 0.02 1.13 -0.00 -1.09 -3.55 117.44 109.28 1iti n TRP 95 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.50 1iti n TRP 95 Cb 0.10 -0.42 -0.01 0.00 -0.00 0.00 0.00 31.31 30.98 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 4.17 -0.08 1.12 5.87 0.00 0.48 -3.13 103.07 111.51 1iti h GLY 96 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1iti h GLY 96 CO 0.00 -0.03 0.00 1.47 0.00 0.00 0.00 176.54 177.98 1iti n LEU 97 N -2.48 0.00 -0.06 3.11 -0.00 -1.16 -2.01 117.00 114.40 1iti n LEU 97 Ca -0.01 0.07 -0.14 0.00 -0.00 0.00 0.00 56.01 55.93 1iti n LEU 97 Cb 0.03 -0.07 -0.12 0.00 -0.00 0.00 0.00 43.42 43.25 1iti n LEU 97 CO 0.02 -0.07 0.43 0.00 -0.00 0.00 0.00 177.39 177.77 1iti h ALA 98 N 1.96 -0.00 -0.74 1.47 0.00 -1.59 -3.46 119.26 116.90 1iti h ALA 98 Ca 0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 1iti h ALA 98 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1iti h ALA 98 CO 0.00 -0.04 -0.15 0.41 0.00 0.00 0.00 179.25 179.47 1iti n GLY 99 N 1.36 0.77 3.49 0.00 0.00 -0.85 -4.85 105.19 105.12 1iti n GLY 99 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.20 4.11 0.00 0.99 1.43 -1.26 -4.91 118.68 116.85 1iti s LEU 100 Ca 0.00 -1.19 -0.00 0.00 -1.03 0.00 0.00 54.13 51.91 1iti s LEU 100 Cb 0.00 -2.47 -0.00 0.00 0.03 0.00 0.00 46.19 43.75 1iti s LEU 100 CO 0.00 -1.46 1.00 0.78 0.23 0.00 0.00 176.35 176.90 1iti h ASN 101 N 9.55 -0.00 -3.21 2.29 -0.26 -1.99 -3.39 115.58 118.56 1iti h ASN 101 Ca -0.10 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 55.07 1iti h ASN 101 Cb 1.05 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.26 1iti h ASN 101 CO 1.23 -0.00 0.62 -0.94 -1.06 0.00 0.00 177.43 177.27 1iti s SER 102 N -2.11 7.16 -0.44 5.81 1.04 -1.26 -4.92 113.70 118.97 1iti s SER 102 Ca -0.00 1.43 0.04 0.00 0.48 0.00 0.00 55.95 57.90 1iti s SER 102 Cb 0.00 -2.54 0.26 0.00 0.10 0.00 0.00 66.02 63.85 1iti s SER 102 CO 0.00 -0.51 1.02 0.00 0.98 0.00 0.00 173.24 174.73 1iti s PRO 104 N 0.48 3.05 0.07 0.00 0.05 -1.26 -4.88 135.00 132.51 1iti s PRO 104 Ca 0.29 2.01 -0.13 0.00 0.05 0.00 0.00 61.00 63.22 1iti s PRO 104 Cb 0.24 -2.08 -0.06 0.00 0.05 0.00 0.00 34.50 32.64 1iti s PRO 104 CO -0.18 -1.19 0.44 0.54 0.05 0.00 0.00 177.00 176.65 1iti s VAL 105 N -1.45 5.01 0.00 -0.36 0.11 -1.26 -5.00 120.40 117.46 1iti s VAL 105 Ca 0.75 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 60.47 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 0.39 0.38 0.00 1.17 -3.33 0.00 0.00 175.10 173.72 1iti n LYS 106 N 1.21 0.03 -3.97 1.54 4.81 -1.26 -5.13 118.16 115.39 1iti n LYS 106 Ca -0.09 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.26 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 2.43 0.64 0.00 1.64 0.41 -1.26 -5.16 118.70 117.40 1iti s GLU 107 Ca 0.00 -0.96 0.00 0.00 -0.41 0.00 0.00 54.97 53.60 1iti s GLU 107 Cb 0.00 0.24 0.00 0.00 -1.78 0.00 0.00 34.13 32.59 1iti s GLU 107 CO 0.00 -0.16 0.00 0.00 -0.49 0.00 0.00 175.26 174.61 1iti n ALA 108 N 0.38 0.00 -1.64 5.21 0.00 -1.26 -4.91 120.51 118.29 1iti n ALA 108 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1iti n ALA 108 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1iti n ALA 108 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iti n ASP 109 N 0.00 0.00 -3.98 0.00 9.92 -1.26 -4.92 116.55 116.31 1iti n ASP 109 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1iti n ASP 109 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 1iti n ASP 109 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1iti s GLN 110 N 1.80 1.29 0.11 -1.24 2.00 -1.26 -4.20 119.66 118.16 1iti s GLN 110 Ca 0.00 -1.22 -0.25 0.00 -2.00 0.00 0.00 55.36 51.89 1iti s GLN 110 Cb 0.00 0.40 0.08 0.00 0.80 0.00 0.00 33.01 34.29 1iti s GLN 110 CO 0.00 -0.50 0.67 -1.54 -0.50 0.00 0.00 175.29 173.42 1iti s SER 111 N -3.00 -0.53 -0.03 6.67 1.04 0.15 -4.35 113.70 113.65 1iti s SER 111 Ca 0.20 0.05 -0.15 0.00 0.48 0.00 0.00 55.95 56.53 1iti s SER 111 Cb 0.02 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.64 1iti s SER 111 CO 0.04 -0.87 0.42 0.42 0.98 0.00 0.00 173.24 174.23 1iti s THR 112 N -3.42 5.06 0.52 2.02 -4.23 -1.26 0.22 115.64 114.55 1iti s THR 112 Ca 0.01 0.85 0.31 0.00 -1.18 0.00 0.00 61.69 61.69 1iti s THR 112 Cb -0.01 -3.73 0.49 0.00 1.34 0.00 0.00 72.50 70.60 1iti s THR 112 CO -0.11 0.53 1.85 0.25 -0.54 0.00 0.00 174.62 176.60 1iti h LEU 113 N 5.14 0.07 0.00 4.79 5.85 -1.66 0.34 115.31 129.84 1iti h LEU 113 Ca -0.49 0.01 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 0.65 0.02 0.00 1.21 -0.34 0.00 0.00 178.44 179.97 1iti n GLU 114 N -4.29 0.00 -0.22 1.25 4.07 -1.26 -1.99 120.64 118.19 1iti n GLU 114 Ca 0.22 0.23 0.03 0.00 -0.06 0.00 0.00 57.16 57.58 1iti n GLU 114 Cb 1.04 -1.02 0.14 0.00 -0.06 0.00 0.00 31.44 31.54 1iti n GLU 114 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1iti h ASN 115 N 0.00 -0.09 -0.85 4.31 -0.26 -1.91 0.18 115.58 116.95 1iti h ASN 115 Ca 0.00 0.14 0.21 0.00 -0.56 0.00 0.00 56.30 56.09 1iti h ASN 115 Cb 0.00 0.22 -0.13 0.00 -1.06 0.00 0.00 38.32 37.35 1iti h ASN 115 CO 0.00 -0.06 0.28 0.15 -1.06 0.00 0.00 177.43 176.74 1iti h PHE 116 N 0.21 0.44 0.00 1.19 3.04 -0.43 1.11 116.94 122.49 1iti h PHE 116 Ca 0.36 0.05 -0.06 0.00 3.98 0.00 0.00 57.97 62.30 1iti h PHE 116 Cb 0.59 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 1iti h PHE 116 CO -0.30 -0.12 -0.30 -0.07 -2.02 0.00 0.00 178.31 175.51 1iti h LEU 117 N 0.29 0.00 0.08 0.59 3.38 -0.03 -2.26 115.31 117.36 1iti h LEU 117 Ca 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.49 1iti h LEU 117 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1iti h LEU 117 CO -0.57 0.30 -0.04 -0.08 0.09 0.00 0.00 178.44 178.13 1iti h GLU 118 N 0.00 -0.10 -1.03 1.13 4.81 0.19 0.19 114.58 119.77 1iti h GLU 118 Ca -0.00 0.01 0.26 0.00 -0.13 0.00 0.00 59.36 59.50 1iti h GLU 118 Cb 0.64 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 29.93 1iti h GLU 118 CO 0.04 -0.07 0.64 0.07 -0.73 0.00 0.00 179.01 178.96 1iti h ARG 119 N -0.16 0.45 0.64 1.92 0.11 -1.40 0.13 114.38 116.07 1iti h ARG 119 Ca -0.01 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 60.01 1iti h ARG 119 Cb 0.08 -0.10 0.01 0.00 1.11 0.00 0.00 29.97 31.06 1iti h ARG 119 CO 0.02 0.30 -0.31 1.25 0.10 0.00 0.00 179.97 181.33 1iti h LEU 120 N 0.47 -0.72 -0.97 0.08 6.46 -1.40 -0.66 115.31 118.56 1iti h LEU 120 Ca 0.62 0.01 0.20 0.00 -0.12 0.00 0.00 57.88 58.60 1iti h LEU 120 Cb 1.41 0.19 -0.11 0.00 -0.73 0.00 0.00 40.66 41.42 1iti h LEU 120 CO -0.37 -0.34 0.56 0.50 -0.62 0.00 0.00 178.44 178.17 1iti h LYS 121 N -1.21 0.63 -0.10 1.25 3.64 0.45 -0.20 116.57 121.03 1iti h LYS 121 Ca -0.09 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1iti h LYS 121 Cb 0.67 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1iti h LYS 121 CO 0.14 0.42 0.03 1.15 -2.27 0.00 0.00 179.45 178.92 1iti h THR 122 N 0.65 1.18 -0.95 1.00 2.02 -0.69 -2.58 112.91 113.54 1iti h THR 122 Ca 0.58 -0.55 0.25 0.00 0.77 0.00 0.00 66.41 67.46 1iti h THR 122 Cb 0.98 1.35 -0.13 0.00 -1.74 0.00 0.00 68.15 68.61 1iti h THR 122 CO -0.42 0.16 0.48 0.40 0.37 0.00 0.00 175.52 176.51 1iti h ILE 123 N -0.03 0.46 0.09 3.11 2.04 0.57 0.15 117.51 123.90 1iti h ILE 123 Ca 0.03 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1iti h ILE 123 Cb 0.22 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1iti h ILE 123 CO -0.00 0.08 -0.04 0.24 0.00 0.00 0.00 178.15 178.43 1iti h MET 124 N 0.44 -0.11 -0.02 2.37 2.86 -1.08 -0.97 114.93 118.42 1iti h MET 124 Ca 0.62 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 58.27 1iti h MET 124 Cb 1.22 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.90 1iti h MET 124 CO -0.53 0.03 0.20 -0.09 1.06 0.00 0.00 176.91 177.58 1iti h ARG 125 N -0.23 0.00 0.14 1.72 9.65 -0.44 1.22 114.38 126.44 1iti h ARG 125 Ca -0.01 0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.62 1iti h ARG 125 Cb 0.19 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1iti h ARG 125 CO 0.02 0.00 -1.17 1.49 2.80 0.00 0.00 179.97 183.11 1iti h GLU 126 N 0.00 0.30 -0.01 0.20 4.81 0.01 -3.32 114.58 116.57 1iti h GLU 126 Ca 0.01 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1iti h GLU 126 Cb 0.42 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1iti h GLU 126 CO -0.00 1.25 -0.27 1.63 -0.73 0.00 0.00 179.01 180.89 1iti n LYS 127 N -3.98 0.79 -0.21 1.92 5.02 -0.35 -3.88 118.16 117.47 1iti n LYS 127 Ca -0.19 -0.46 -0.01 0.00 -2.02 0.00 0.00 58.31 55.63 1iti n LYS 127 Cb 0.89 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 34.48 1iti n LYS 127 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1iti n TYR 128 N -0.71 0.50 -3.00 2.13 9.36 0.40 -4.78 117.16 121.08 1iti n TYR 128 Ca 0.12 -0.35 -0.43 0.00 3.32 0.00 0.00 57.90 60.56 1iti n TYR 128 Cb 0.35 -0.25 -0.05 0.00 -0.63 0.00 0.00 39.34 38.75 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 0.05 6.31 0.00 2.98 1.04 -1.25 -4.69 113.70 118.14 1iti s SER 129 Ca 0.12 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1iti s SER 129 Cb 0.09 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1iti s SER 129 CO 0.03 -1.01 0.00 2.29 0.98 0.00 0.00 173.24 175.53 1iti n LYS 130 N 6.76 0.00 0.05 4.02 2.85 -1.26 -4.97 118.16 125.60 1iti n LYS 130 Ca -0.01 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.37 1iti n LYS 130 Cb 0.47 0.00 0.22 0.00 -0.65 0.00 0.00 35.03 35.07 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 -3.94 6.68 0.00 0.00 1.04 -1.26 -5.15 113.70 111.07 1iti s SER 132 Ca 0.08 -2.22 0.26 0.00 0.48 0.00 0.00 55.95 54.55 1iti s SER 132 Cb 0.14 -2.36 1.56 0.00 0.10 0.00 0.00 66.02 65.46 1iti s SER 132 CO 0.70 -0.95 1.91 -1.54 0.98 0.00 0.00 173.24 174.34