#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iti s VAL 2 N 0.00 5.38 -0.21 1.39 1.01 0.29 -4.04 120.40 124.21 3iti s VAL 2 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3iti s VAL 2 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.88 3iti s VAL 2 CO 0.00 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3iti n GLY 3 N 3.92 0.54 0.00 4.51 0.00 -1.24 -1.68 105.19 111.24 3iti n GLY 3 Ca -0.15 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3iti n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iti n GLY 4 N -2.74 2.58 3.10 -0.02 0.00 -1.26 -4.84 105.19 102.01 3iti n GLY 4 Ca -0.02 -1.94 -0.07 0.00 0.00 0.00 0.00 46.02 43.99 3iti n GLY 4 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3iti s TYR 5 N 2.49 0.56 -0.03 1.61 -0.85 -0.08 -4.94 117.35 116.11 3iti s TYR 5 Ca 0.00 -1.07 -0.30 0.00 -0.52 0.00 0.00 57.07 55.19 3iti s TYR 5 Cb 0.00 -0.40 -0.06 0.00 0.38 0.00 0.00 41.96 41.87 3iti s TYR 5 CO 0.00 -0.37 1.71 0.99 -1.52 0.00 0.00 175.55 176.36 3iti s THR 6 N -3.90 3.47 0.25 -3.49 2.01 -1.26 -0.22 115.64 112.49 3iti s THR 6 Ca 0.08 0.58 -0.06 0.00 0.31 0.00 0.00 61.69 62.60 3iti s THR 6 Cb 0.08 -3.37 0.25 0.00 0.01 0.00 0.00 72.50 69.46 3iti s THR 6 CO -0.09 -0.05 1.92 0.00 -0.69 0.00 0.00 174.62 175.71 3iti n GLY 8 N -1.34 1.91 3.68 0.00 0.00 -1.26 -4.84 105.19 103.34 3iti n GLY 8 Ca 0.11 -1.41 -0.47 0.00 0.00 0.00 0.00 46.02 44.26 3iti n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iti n ALA 9 N 2.69 1.14 -1.62 4.61 0.00 -1.26 -1.82 120.51 124.25 3iti n ALA 9 Ca 0.00 0.35 -0.20 0.00 0.00 0.00 0.00 53.44 53.60 3iti n ALA 9 Cb 0.00 -2.44 -0.08 0.00 0.00 0.00 0.00 19.45 16.93 3iti n ALA 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3iti n ASN 10 N 5.24 -5.20 0.03 0.00 4.13 -1.26 -4.84 115.26 113.36 3iti n ASN 10 Ca 0.20 0.46 0.13 0.00 1.68 0.00 0.00 54.58 57.05 3iti n ASN 10 Cb 0.30 -4.61 0.54 0.00 -1.54 0.00 0.00 39.78 34.47 3iti n ASN 10 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3iti n THR 11 N -2.40 0.24 -3.55 3.41 -2.24 -0.76 -3.93 114.28 105.06 3iti n THR 11 Ca -0.20 -0.03 -0.28 0.00 -2.27 0.00 0.00 64.05 61.28 3iti n THR 11 Cb 0.65 -0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 68.20 3iti n THR 11 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3iti n VAL 12 N -1.68 2.24 0.91 2.28 0.31 -1.26 -4.97 118.33 116.16 3iti n VAL 12 Ca 0.06 -5.14 0.11 0.00 -0.01 0.00 0.00 64.34 59.36 3iti n VAL 12 Cb 0.34 -2.13 0.51 0.00 -0.91 0.00 0.00 33.84 31.65 3iti n VAL 12 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3iti n PRO 13 N 1.19 0.18 0.00 5.55 -0.04 -1.25 -1.42 135.00 139.20 3iti n PRO 13 Ca 0.27 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 3iti n PRO 13 Cb 0.39 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.65 3iti n PRO 13 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3iti n TYR 14 N -1.37 0.00 -2.31 0.54 0.18 -1.10 -1.96 117.16 111.14 3iti n TYR 14 Ca 0.08 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.44 3iti n TYR 14 Cb 0.21 -0.24 -0.03 0.00 -0.38 0.00 0.00 39.34 38.89 3iti n TYR 14 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3iti s GLN 15 N -2.92 4.33 0.18 -3.48 2.00 -0.51 -0.96 119.66 118.31 3iti s GLN 15 Ca 0.14 1.88 0.10 0.00 -2.00 0.00 0.00 55.36 55.47 3iti s GLN 15 Cb 0.18 -3.48 -0.04 0.00 0.80 0.00 0.00 33.01 30.47 3iti s GLN 15 CO 0.66 -0.46 -0.16 0.14 -0.50 0.00 0.00 175.29 174.96 3iti s VAL 16 N 1.90 2.81 -0.18 1.34 -7.23 -0.18 -4.47 120.40 114.40 3iti s VAL 16 Ca 0.61 -1.81 -0.08 0.00 -1.81 0.00 0.00 61.98 58.89 3iti s VAL 16 Cb -0.30 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 3iti s VAL 16 CO 0.27 -0.10 0.11 -0.55 -0.31 0.00 0.00 175.10 174.51 3iti s SER 17 N -2.73 6.03 -0.17 4.85 0.15 -0.43 -2.18 113.70 119.22 3iti s SER 17 Ca 0.23 0.23 -0.14 0.00 0.70 0.00 0.00 55.95 56.97 3iti s SER 17 Cb -0.08 -2.02 -0.05 0.00 -1.71 0.00 0.00 66.02 62.16 3iti s SER 17 CO 0.13 0.23 0.30 -0.76 1.20 0.00 0.00 173.24 174.33 3iti s LEU 18 N 0.05 4.22 -0.07 3.45 1.43 -0.35 -0.64 118.68 126.77 3iti s LEU 18 Ca 0.08 0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 3iti s LEU 18 Cb -0.12 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.75 3iti s LEU 18 CO -0.00 0.07 -0.11 0.21 0.23 0.00 0.00 176.35 176.75 3iti s ASN 19 N 0.61 1.76 -0.38 2.29 3.84 -0.11 -1.75 114.94 121.20 3iti s ASN 19 Ca 0.16 -0.28 0.08 0.00 0.21 0.00 0.00 52.86 53.03 3iti s ASN 19 Cb -0.13 -0.79 0.44 0.00 -0.55 0.00 0.00 41.25 40.22 3iti s ASN 19 CO 0.04 -0.00 1.12 -1.54 -2.79 0.00 0.00 177.10 173.93 3iti n SER 20 N 4.05 4.34 0.00 -4.21 3.41 -1.26 -0.69 113.62 119.26 3iti n SER 20 Ca -0.21 -3.56 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 3iti n SER 20 Cb 0.51 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3iti n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iti n GLY 21 N -0.52 2.20 3.41 5.00 0.00 -1.26 -5.01 105.19 109.01 3iti n GLY 21 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 3iti n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3iti s TYR 22 N -2.49 -0.48 0.15 1.61 -0.85 -1.26 -5.13 117.35 108.90 3iti s TYR 22 Ca 0.00 0.46 -0.31 0.00 -0.52 0.00 0.00 57.07 56.70 3iti s TYR 22 Cb 0.00 0.42 -0.11 0.00 0.38 0.00 0.00 41.96 42.66 3iti s TYR 22 CO 0.00 -0.72 1.77 -1.58 -1.52 0.00 0.00 175.55 173.50 3iti s HIS 23 N -2.86 2.49 0.00 -3.49 5.65 -1.26 -4.22 115.29 111.60 3iti s HIS 23 Ca -0.03 0.17 0.00 0.00 0.25 0.00 0.00 55.06 55.45 3iti s HIS 23 Cb -0.00 -4.14 0.00 0.00 -1.18 0.00 0.00 32.58 27.26 3iti s HIS 23 CO -0.05 -4.52 0.00 1.97 -0.65 0.00 0.00 174.74 171.49 3iti n PHE 24 N 4.97 0.00 -3.46 3.88 1.16 -0.72 -4.98 117.46 118.31 3iti n PHE 24 Ca 0.17 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.64 3iti n PHE 24 Cb 0.37 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.22 3iti n PHE 24 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3iti s GLY 26 N -2.70 1.75 0.27 0.00 0.00 0.49 -1.21 107.32 105.91 3iti s GLY 26 Ca 0.02 -1.85 -0.19 0.00 0.00 0.00 0.00 44.72 42.70 3iti s GLY 26 CO -0.11 -1.26 0.93 -0.32 0.00 0.00 0.00 173.10 172.34 3iti s GLY 27 N -4.77 0.23 -0.05 0.20 0.00 -0.93 -3.61 107.32 98.39 3iti s GLY 27 Ca 0.67 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.88 3iti s GLY 27 CO 0.44 1.29 -0.07 -0.56 0.00 0.00 0.00 173.10 174.20 3iti s SER 28 N -3.27 1.29 -0.21 1.64 0.01 -0.16 -1.01 113.70 111.99 3iti s SER 28 Ca 0.19 -0.19 -0.29 0.00 1.31 0.00 0.00 55.95 56.97 3iti s SER 28 Cb -0.04 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.60 3iti s SER 28 CO 0.08 -0.03 1.12 -0.22 0.41 0.00 0.00 173.24 174.60 3iti s LEU 29 N 0.87 4.13 -0.01 2.44 2.96 -0.14 -0.81 118.68 128.12 3iti s LEU 29 Ca -0.12 1.49 0.13 0.00 -0.22 0.00 0.00 54.13 55.41 3iti s LEU 29 Cb -0.15 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.84 3iti s LEU 29 CO 0.01 -0.71 0.44 2.30 -1.32 0.00 0.00 176.35 177.07 3iti n ILE 30 N 5.35 0.00 -3.58 6.68 -5.35 -0.45 -0.84 119.36 121.17 3iti n ILE 30 Ca 0.13 -0.24 -0.05 0.00 -0.27 0.00 0.00 62.75 62.32 3iti n ILE 30 Cb 0.46 0.67 0.02 0.00 -1.74 0.00 0.00 39.64 39.05 3iti n ILE 30 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3iti n ASN 31 N -1.57 -1.37 0.13 7.28 0.23 -1.22 -4.57 115.26 114.17 3iti n ASN 31 Ca 0.00 -1.88 0.11 0.00 -0.53 0.00 0.00 54.58 52.28 3iti n ASN 31 Cb 0.26 2.26 0.50 0.00 -2.08 0.00 0.00 39.78 40.72 3iti n ASN 31 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3iti n SER 32 N -1.25 0.59 0.00 0.53 3.41 -1.26 -3.08 113.62 112.56 3iti n SER 32 Ca -0.04 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 3iti n SER 32 Cb 0.38 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 3iti n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iti n GLN 33 N -2.19 0.89 -4.06 4.33 6.02 -1.26 -0.76 117.38 120.35 3iti n GLN 33 Ca 0.01 -0.90 -0.15 0.00 -0.01 0.00 0.00 57.00 55.95 3iti n GLN 33 Cb 0.16 -0.93 -0.14 0.00 1.02 0.00 0.00 30.24 30.35 3iti n GLN 33 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3iti s TRP 34 N -0.44 0.33 -0.06 1.08 0.52 -1.18 -0.75 118.94 118.45 3iti s TRP 34 Ca 0.00 -0.06 0.05 0.00 0.02 0.00 0.00 56.10 56.11 3iti s TRP 34 Cb 0.00 -0.24 -0.02 0.00 -1.15 0.00 0.00 33.47 32.07 3iti s TRP 34 CO 0.00 -0.02 -0.20 0.08 0.02 0.00 0.00 176.95 176.83 3iti s VAL 35 N 0.04 2.56 -0.17 4.03 1.01 -0.11 -1.34 120.40 126.42 3iti s VAL 35 Ca -0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 3iti s VAL 35 Cb -0.03 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3iti s VAL 35 CO -0.00 0.57 0.25 -0.69 0.00 0.00 0.00 175.10 175.23 3iti s VAL 36 N -0.36 5.34 0.00 2.92 1.01 0.01 -0.74 120.40 128.58 3iti s VAL 36 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3iti s VAL 36 Cb -0.12 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3iti s VAL 36 CO 0.02 0.41 0.00 -0.24 0.00 0.00 0.00 175.10 175.29 3iti n SER 37 N 3.51 0.06 -4.80 3.32 2.88 -0.22 -0.99 113.62 117.39 3iti n SER 37 Ca -0.13 -0.96 -0.39 0.00 -1.33 0.00 0.00 58.87 56.06 3iti n SER 37 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 3iti n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3iti s ALA 38 N -2.00 3.56 0.48 -1.46 0.00 -1.26 -1.09 121.76 119.99 3iti s ALA 38 Ca 0.00 0.09 0.14 0.00 0.00 0.00 0.00 51.96 52.19 3iti s ALA 38 Cb 0.00 -2.69 1.13 0.00 0.00 0.00 0.00 23.12 21.56 3iti s ALA 38 CO 0.00 0.37 2.08 0.00 0.00 0.00 0.00 175.76 178.21 3iti h ALA 39 N 4.55 1.98 0.00 0.00 0.00 -1.67 -1.09 119.26 123.02 3iti h ALA 39 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3iti h ALA 39 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3iti h ALA 39 CO 0.64 -0.02 0.00 -2.39 0.00 0.00 0.00 179.25 177.48 3iti n HIS 40 N -4.49 0.31 1.62 0.00 1.44 -1.26 -1.40 115.22 111.44 3iti n HIS 40 Ca 0.02 0.12 0.15 0.00 -2.01 0.00 0.00 57.72 56.00 3iti n HIS 40 Cb 0.18 -0.69 0.72 0.00 0.12 0.00 0.00 29.99 30.32 3iti n HIS 40 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3iti n TYR 42 N -0.79 1.48 -3.64 0.00 9.36 -0.49 -5.00 117.16 118.08 3iti n TYR 42 Ca 0.18 0.63 -0.09 0.00 3.32 0.00 0.00 57.90 61.95 3iti n TYR 42 Cb 0.23 -2.32 -0.02 0.00 -0.63 0.00 0.00 39.34 36.60 3iti n TYR 42 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 3iti s LYS 43 N 0.03 1.42 0.68 2.98 -2.85 -1.26 -5.14 119.74 115.61 3iti s LYS 43 Ca 0.78 -0.68 -0.13 0.00 -1.00 0.00 0.00 55.97 54.94 3iti s LYS 43 Cb -0.87 0.56 0.01 0.00 -2.06 0.00 0.00 37.83 35.46 3iti s LYS 43 CO 0.49 -0.64 1.08 -1.54 0.10 0.00 0.00 175.35 174.84 3iti s SER 44 N -2.81 5.21 -0.33 0.03 1.04 -1.26 -4.46 113.70 111.12 3iti s SER 44 Ca 0.07 1.78 -0.01 0.00 0.48 0.00 0.00 55.95 58.26 3iti s SER 44 Cb -0.03 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.57 3iti s SER 44 CO -0.03 -1.56 0.28 0.61 0.98 0.00 0.00 173.24 173.53 3iti n GLY 45 N -1.31 0.46 3.74 7.32 0.00 -1.26 -5.00 105.19 109.15 3iti n GLY 45 Ca 0.09 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 3iti n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iti s ILE 46 N -3.08 5.09 -0.15 -0.61 1.01 -1.26 -4.43 121.20 117.76 3iti s ILE 46 Ca 0.10 1.06 -0.03 0.00 0.00 0.00 0.00 60.65 61.78 3iti s ILE 46 Cb -0.04 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 3iti s ILE 46 CO 0.19 0.37 -0.07 -1.58 0.00 0.00 0.00 174.94 173.85 3iti s GLN 47 N 0.25 3.59 -0.10 2.79 0.74 0.13 -1.43 119.66 125.64 3iti s GLN 47 Ca 0.28 -0.57 -0.21 0.00 0.05 0.00 0.00 55.36 54.91 3iti s GLN 47 Cb -0.16 -2.83 -0.04 0.00 1.10 0.00 0.00 33.01 31.08 3iti s GLN 47 CO 0.13 0.24 0.58 0.08 -0.55 0.00 0.00 175.29 175.77 3iti s VAL 48 N 0.35 5.12 -0.26 1.34 1.01 0.52 -0.93 120.40 127.54 3iti s VAL 48 Ca -0.06 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.11 3iti s VAL 48 Cb -0.15 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.35 3iti s VAL 48 CO 0.04 0.28 -0.07 -0.13 0.00 0.00 0.00 175.10 175.22 3iti s ARG 49 N 0.75 2.52 0.24 2.72 0.52 0.19 -1.19 118.95 124.69 3iti s ARG 49 Ca 0.31 -1.18 0.07 0.00 -0.52 0.00 0.00 55.73 54.41 3iti s ARG 49 Cb -0.16 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.29 3iti s ARG 49 CO 0.14 -0.51 0.19 -0.51 0.02 0.00 0.00 175.30 174.63 3iti s LEU 50 N 1.22 3.81 -1.34 2.53 1.02 0.07 -1.31 118.68 124.68 3iti s LEU 50 Ca -0.04 -0.23 0.00 0.00 0.02 0.00 0.00 54.13 53.87 3iti s LEU 50 Cb -0.18 -2.35 0.00 0.00 0.02 0.00 0.00 46.19 43.67 3iti s LEU 50 CO -0.04 -0.02 0.00 0.61 0.02 0.00 0.00 176.35 176.92 3iti n GLY 51 N -1.05 0.98 3.81 -3.19 0.00 -1.26 -1.53 105.19 102.96 3iti n GLY 51 Ca -0.08 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 3iti n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iti s GLU 52 N -3.54 4.27 0.00 1.61 0.41 -1.26 -3.88 118.70 116.30 3iti s GLU 52 Ca 0.00 0.90 0.00 0.00 -0.41 0.00 0.00 54.97 55.46 3iti s GLU 52 Cb 0.00 -2.85 0.00 0.00 -1.78 0.00 0.00 34.13 29.50 3iti s GLU 52 CO 0.00 0.37 0.00 -3.47 -0.49 0.00 0.00 175.26 171.67 3iti n ASP 53 N 0.65 0.00 -4.62 -0.19 2.03 -1.26 -4.58 116.55 108.58 3iti n ASP 53 Ca -0.02 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.86 3iti n ASP 53 Cb 0.51 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.89 3iti n ASP 53 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3iti s ASN 54 N -0.10 6.63 0.00 1.67 3.84 -1.25 -3.27 114.94 122.45 3iti s ASN 54 Ca 0.00 0.97 0.25 0.00 0.21 0.00 0.00 52.86 54.29 3iti s ASN 54 Cb 0.00 -2.54 1.12 0.00 -0.55 0.00 0.00 41.25 39.27 3iti s ASN 54 CO 0.00 -1.16 1.80 2.30 -2.79 0.00 0.00 177.10 177.25 3iti n ILE 55 N 6.47 0.28 0.54 -5.21 -5.35 -0.36 -3.12 119.36 112.61 3iti n ILE 55 Ca 0.14 0.07 0.08 0.00 -0.27 0.00 0.00 62.75 62.77 3iti n ILE 55 Cb 0.47 -0.66 0.09 0.00 -1.74 0.00 0.00 39.64 37.81 3iti n ILE 55 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3iti n ASN 56 N -1.42 2.48 -3.86 7.28 3.02 -1.26 -4.92 115.26 116.57 3iti n ASN 56 Ca 0.08 -1.72 -0.19 0.00 -0.03 0.00 0.00 54.58 52.72 3iti n ASN 56 Cb 0.25 -0.05 -0.16 0.00 -0.61 0.00 0.00 39.78 39.21 3iti n ASN 56 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3iti s VAL 57 N -1.29 0.41 -0.31 2.41 1.01 -1.18 -5.10 120.40 116.35 3iti s VAL 57 Ca 0.21 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 3iti s VAL 57 Cb 0.14 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 36.05 3iti s VAL 57 CO 0.20 0.20 1.38 -0.69 0.00 0.00 0.00 175.10 176.19 3iti s VAL 58 N 1.03 4.02 -0.59 2.92 1.01 -1.26 -4.72 120.40 122.81 3iti s VAL 58 Ca -0.09 1.12 0.16 0.00 0.00 0.00 0.00 61.98 63.17 3iti s VAL 58 Cb -0.14 -4.09 -0.19 0.00 0.00 0.00 0.00 36.38 31.96 3iti s VAL 58 CO -0.01 -0.51 0.60 -0.62 0.00 0.00 0.00 175.10 174.57 3iti n GLU 59 N 7.54 1.45 0.00 2.72 1.02 -1.26 -5.01 120.64 127.10 3iti n GLU 59 Ca 0.16 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3iti n GLU 59 Cb 0.47 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 3iti n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iti n GLY 60 N 1.42 1.13 0.36 0.62 0.00 -1.26 -4.96 105.19 102.50 3iti n GLY 60 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 3iti n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3iti n ASN 61 N 0.00 2.50 -4.81 1.61 3.02 -1.26 -5.04 115.26 111.28 3iti n ASN 61 Ca 0.00 -1.98 -0.33 0.00 -0.03 0.00 0.00 54.58 52.24 3iti n ASN 61 Cb 0.00 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.03 3iti n ASN 61 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3iti s GLU 62 N -0.99 3.60 -0.09 3.52 8.01 -1.25 -4.44 118.70 127.07 3iti s GLU 62 Ca 0.13 1.18 0.01 0.00 0.01 0.00 0.00 54.97 56.30 3iti s GLU 62 Cb 0.07 -2.07 0.02 0.00 -4.31 0.00 0.00 34.13 27.83 3iti s GLU 62 CO 0.09 -0.58 -0.08 -0.65 0.01 0.00 0.00 175.26 174.05 3iti s GLN 63 N -3.86 1.45 -0.24 1.61 -0.21 -0.58 -4.97 119.66 112.86 3iti s GLN 63 Ca 0.63 -0.27 -0.06 0.00 0.02 0.00 0.00 55.36 55.68 3iti s GLN 63 Cb -0.14 -1.40 -0.02 0.00 1.00 0.00 0.00 33.01 32.44 3iti s GLN 63 CO 0.31 -0.15 0.03 -0.06 -2.12 0.00 0.00 175.29 173.30 3iti s PHE 64 N 1.27 3.04 -0.07 0.91 0.08 -1.26 -0.75 117.98 121.20 3iti s PHE 64 Ca -0.04 -0.67 0.00 0.00 0.12 0.00 0.00 56.93 56.35 3iti s PHE 64 Cb -0.14 -2.19 0.02 0.00 -0.57 0.00 0.00 43.02 40.14 3iti s PHE 64 CO -0.03 -0.45 -0.05 0.42 -0.10 0.00 0.00 175.22 175.02 3iti s ILE 65 N 1.55 0.66 0.54 0.64 1.01 -0.33 -4.98 121.20 120.29 3iti s ILE 65 Ca 0.06 -0.12 -0.20 0.00 0.00 0.00 0.00 60.65 60.38 3iti s ILE 65 Cb -0.15 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 3iti s ILE 65 CO 0.01 0.28 1.20 -0.44 0.00 0.00 0.00 174.94 175.99 3iti s SER 66 N 1.38 5.58 0.17 3.58 0.01 -1.26 -0.36 113.70 122.80 3iti s SER 66 Ca -0.03 2.38 -0.30 0.00 1.31 0.00 0.00 55.95 59.31 3iti s SER 66 Cb -0.13 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.42 3iti s SER 66 CO -0.03 -1.33 1.21 0.00 0.41 0.00 0.00 173.24 173.50 3iti s ALA 67 N -1.57 3.44 0.00 1.44 0.00 -0.51 -0.56 121.76 124.01 3iti s ALA 67 Ca 0.72 0.96 0.11 0.00 0.00 0.00 0.00 51.96 53.75 3iti s ALA 67 Cb -0.30 -3.43 -0.22 0.00 0.00 0.00 0.00 23.12 19.17 3iti s ALA 67 CO 0.34 -0.40 0.84 0.66 0.00 0.00 0.00 175.76 177.20 3iti h SER 68 N 5.46 0.00 -3.79 0.00 4.64 -1.16 -3.44 113.55 115.27 3iti h SER 68 Ca -0.44 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.78 3iti h SER 68 Cb 1.21 -0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.07 3iti h SER 68 CO 0.76 1.00 -0.14 -0.75 -0.87 0.00 0.00 176.83 176.83 3iti s LYS 69 N -2.63 0.57 -0.05 4.77 2.20 -1.22 -5.02 119.74 118.36 3iti s LYS 69 Ca -0.03 0.74 0.05 0.00 -0.36 0.00 0.00 55.97 56.37 3iti s LYS 69 Cb 0.09 0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.62 3iti s LYS 69 CO 0.82 -0.09 -0.18 -1.12 -0.36 0.00 0.00 175.35 174.43 3iti s SER 70 N 0.48 3.73 -0.27 1.43 0.01 -1.26 -1.18 113.70 116.65 3iti s SER 70 Ca -0.02 -0.29 -0.00 0.00 1.31 0.00 0.00 55.95 56.95 3iti s SER 70 Cb -0.04 -0.79 0.08 0.00 0.21 0.00 0.00 66.02 65.48 3iti s SER 70 CO -0.02 0.32 0.03 -0.63 0.41 0.00 0.00 173.24 173.35 3iti s ILE 71 N -0.58 1.16 0.27 1.44 1.01 0.85 -5.00 121.20 120.34 3iti s ILE 71 Ca 0.08 -1.28 -0.29 0.00 0.00 0.00 0.00 60.65 59.17 3iti s ILE 71 Cb -0.11 -1.69 -0.09 0.00 0.01 0.00 0.00 42.46 40.58 3iti s ILE 71 CO 0.01 -0.40 0.94 -0.69 0.00 0.00 0.00 174.94 174.80 3iti s VAL 72 N 1.52 4.11 0.25 2.92 1.01 -1.26 -0.84 120.40 128.10 3iti s VAL 72 Ca 0.03 2.00 -0.31 0.00 0.00 0.00 0.00 61.98 63.71 3iti s VAL 72 Cb -0.18 -4.23 -0.14 0.00 0.00 0.00 0.00 36.38 31.84 3iti s VAL 72 CO -0.14 0.39 1.30 1.57 0.00 0.00 0.00 175.10 178.22 3iti n HIS 73 N 1.19 1.93 0.33 5.22 -0.00 -0.78 -4.82 115.22 118.30 3iti n HIS 73 Ca -0.01 0.52 0.21 0.00 0.46 0.00 0.00 57.72 58.90 3iti n HIS 73 Cb 0.48 -2.40 1.14 0.00 -0.12 0.00 0.00 29.99 29.09 3iti n HIS 73 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3iti h PRO 74 N 3.58 0.00 -0.19 1.57 0.13 -1.93 -1.61 132.00 133.55 3iti h PRO 74 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3iti h PRO 74 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3iti h PRO 74 CO 0.71 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.91 3iti n SER 75 N -3.29 3.31 -4.71 1.44 7.64 -1.26 -5.01 113.62 111.74 3iti n SER 75 Ca -0.03 -2.88 -0.42 0.00 1.01 0.00 0.00 58.87 56.55 3iti n SER 75 Cb 0.08 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 62.79 3iti n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iti n TYR 76 N -0.63 2.71 -3.98 1.43 9.36 -0.61 -4.66 117.16 120.78 3iti n TYR 76 Ca 0.18 0.06 -0.34 0.00 3.32 0.00 0.00 57.90 61.12 3iti n TYR 76 Cb 0.75 -2.66 -0.14 0.00 -0.63 0.00 0.00 39.34 36.65 3iti n TYR 76 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3iti s ASN 77 N 1.17 4.58 0.51 2.98 3.84 -0.64 -4.99 114.94 122.39 3iti s ASN 77 Ca 0.76 -1.23 0.34 0.00 0.21 0.00 0.00 52.86 52.93 3iti s ASN 77 Cb -0.52 -1.64 1.52 0.00 -0.55 0.00 0.00 41.25 40.06 3iti s ASN 77 CO 0.33 -0.20 2.00 0.77 -2.79 0.00 0.00 177.10 177.21 3iti h SER 78 N 7.92 0.00 -0.04 -4.21 4.64 -1.93 0.17 113.55 120.09 3iti h SER 78 Ca -0.23 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.97 3iti h SER 78 Cb 1.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.16 3iti h SER 78 CO 0.52 0.00 -0.44 0.78 -0.87 0.00 0.00 176.83 176.82 3iti h ASN 79 N 0.00 0.45 0.26 4.97 2.35 -1.97 -3.36 115.58 118.29 3iti h ASN 79 Ca 0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 56.30 55.04 3iti h ASN 79 Cb 0.35 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3iti h ASN 79 CO 0.00 1.09 -1.32 0.35 -1.65 0.00 0.00 177.43 175.91 3iti n THR 80 N -4.33 0.12 -1.39 2.81 -2.24 -1.15 -4.96 114.28 103.13 3iti n THR 80 Ca -0.09 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.26 3iti n THR 80 Cb 0.58 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 69.01 3iti n THR 80 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3iti n LEU 81 N -2.02 -0.81 -4.73 3.22 4.77 0.57 -4.99 117.00 113.02 3iti n LEU 81 Ca 0.00 0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 55.90 3iti n LEU 81 Cb 0.46 -2.33 -0.03 0.00 -2.33 0.00 0.00 43.42 39.20 3iti n LEU 81 CO 0.42 -0.86 1.20 0.21 -1.33 0.00 0.00 177.39 177.04 3iti s ASN 82 N -2.66 6.58 -0.74 -1.43 2.47 -1.20 -2.92 114.94 115.04 3iti s ASN 82 Ca 0.00 2.66 -0.03 0.00 0.42 0.00 0.00 52.86 55.92 3iti s ASN 82 Cb 0.00 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 3iti s ASN 82 CO 0.00 -0.80 0.63 0.59 -3.72 0.00 0.00 177.10 173.80 3iti n ASN 83 N 3.38 -3.24 -4.05 -4.21 3.02 -1.26 -1.62 115.26 107.27 3iti n ASN 83 Ca 0.11 -0.34 -0.43 0.00 -0.03 0.00 0.00 54.58 53.90 3iti n ASN 83 Cb 0.39 -3.16 0.00 0.00 -0.61 0.00 0.00 39.78 36.40 3iti n ASN 83 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3iti n ASP 84 N -1.70 4.57 -3.83 6.41 2.03 -1.15 -4.20 116.55 118.69 3iti n ASP 84 Ca -0.08 -2.94 -0.12 0.00 0.52 0.00 0.00 54.79 52.17 3iti n ASP 84 Cb 0.57 -1.63 -0.11 0.00 -0.72 0.00 0.00 41.12 39.23 3iti n ASP 84 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3iti s ILE 85 N 2.61 0.04 0.00 5.18 2.07 -1.26 -3.83 121.20 126.01 3iti s ILE 85 Ca 0.46 -0.36 -0.02 0.00 -1.41 0.00 0.00 60.65 59.33 3iti s ILE 85 Cb 0.09 -0.39 -0.01 0.00 0.13 0.00 0.00 42.46 42.28 3iti s ILE 85 CO -0.02 -0.20 0.03 -0.32 -1.91 0.00 0.00 174.94 172.53 3iti s MET 86 N -0.72 0.23 -0.09 3.50 -2.45 -0.25 -1.86 119.30 117.65 3iti s MET 86 Ca -0.08 -0.28 -0.03 0.00 -1.25 0.00 0.00 55.69 54.05 3iti s MET 86 Cb -0.05 0.09 -0.03 0.00 1.25 0.00 0.00 34.83 36.09 3iti s MET 86 CO 0.01 -0.04 0.02 -0.51 1.05 0.00 0.00 175.02 175.56 3iti s LEU 87 N -0.80 3.71 -0.16 4.11 1.43 -0.02 -1.06 118.68 125.89 3iti s LEU 87 Ca -0.09 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3iti s LEU 87 Cb -0.05 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.32 3iti s LEU 87 CO -0.00 0.37 -0.19 -0.63 0.23 0.00 0.00 176.35 176.13 3iti s ILE 88 N -0.85 1.96 -0.13 -0.59 1.01 0.09 -0.11 121.20 122.58 3iti s ILE 88 Ca 0.13 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.73 3iti s ILE 88 Cb -0.11 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3iti s ILE 88 CO 0.02 0.52 0.39 -0.75 0.00 0.00 0.00 174.94 175.13 3iti s LYS 89 N 1.20 4.26 0.29 2.79 2.20 -0.32 -0.93 119.74 129.23 3iti s LYS 89 Ca 0.02 0.30 -0.24 0.00 -0.36 0.00 0.00 55.97 55.69 3iti s LYS 89 Cb -0.14 -3.41 -0.09 0.00 -1.51 0.00 0.00 37.83 32.68 3iti s LYS 89 CO -0.10 0.24 0.87 -0.51 -0.36 0.00 0.00 175.35 175.49 3iti s LEU 90 N 0.41 4.34 0.49 5.43 1.43 0.07 -0.70 118.68 130.15 3iti s LEU 90 Ca 0.22 1.69 0.20 0.00 -1.03 0.00 0.00 54.13 55.21 3iti s LEU 90 Cb -0.14 -3.87 1.24 0.00 0.03 0.00 0.00 46.19 43.45 3iti s LEU 90 CO 0.08 -0.03 2.05 0.07 0.23 0.00 0.00 176.35 178.75 3iti h LYS 91 N 3.25 0.00 -4.09 1.70 5.09 -1.11 -3.42 116.57 118.00 3iti h LYS 91 Ca -0.47 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.13 3iti h LYS 91 Cb 1.19 0.00 -0.18 0.00 0.10 0.00 0.00 32.23 33.35 3iti h LYS 91 CO 0.65 0.14 -0.67 -1.54 -2.09 0.00 0.00 179.45 175.94 3iti s SER 92 N -6.63 0.36 0.22 7.07 1.04 -1.26 -4.99 113.70 109.50 3iti s SER 92 Ca -0.04 -0.75 -0.30 0.00 0.48 0.00 0.00 55.95 55.34 3iti s SER 92 Cb 0.15 0.17 -0.09 0.00 0.10 0.00 0.00 66.02 66.34 3iti s SER 92 CO 0.64 -0.48 1.30 0.00 0.98 0.00 0.00 173.24 175.69 3iti s ALA 93 N -2.82 3.52 0.49 5.32 0.00 -1.26 -4.85 121.76 122.15 3iti s ALA 93 Ca -0.03 1.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.83 3iti s ALA 93 Cb 0.00 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 3iti s ALA 93 CO -0.06 -0.54 1.22 0.00 0.00 0.00 0.00 175.76 176.38 3iti s ALA 94 N -0.14 2.91 -0.37 0.00 0.00 0.06 -4.99 121.76 119.23 3iti s ALA 94 Ca 0.55 1.05 -0.22 0.00 0.00 0.00 0.00 51.96 53.33 3iti s ALA 94 Cb -0.37 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.32 3iti s ALA 94 CO 0.41 -0.88 0.75 0.45 0.00 0.00 0.00 175.76 176.48 3iti s SER 95 N -1.27 6.51 0.12 0.00 0.15 -1.26 -4.84 113.70 113.12 3iti s SER 95 Ca 0.67 0.27 -0.24 0.00 0.70 0.00 0.00 55.95 57.35 3iti s SER 95 Cb -0.32 -2.38 -0.07 0.00 -1.71 0.00 0.00 66.02 61.54 3iti s SER 95 CO 0.38 -0.71 0.72 -0.76 1.20 0.00 0.00 173.24 174.07 3iti s LEU 96 N 3.02 4.56 0.00 3.45 1.43 -1.26 -4.79 118.68 125.09 3iti s LEU 96 Ca 0.30 1.51 -0.05 0.00 -1.03 0.00 0.00 54.13 54.86 3iti s LEU 96 Cb -0.13 -3.18 0.02 0.00 0.03 0.00 0.00 46.19 42.92 3iti s LEU 96 CO 0.17 0.20 0.25 -0.46 0.23 0.00 0.00 176.35 176.73 3iti n ASN 97 N 1.82 -0.71 0.22 2.29 0.23 0.26 -4.99 115.26 114.37 3iti n ASN 97 Ca -0.06 -1.50 0.05 0.00 -0.53 0.00 0.00 54.58 52.54 3iti n ASN 97 Cb 0.49 1.19 0.51 0.00 -2.08 0.00 0.00 39.78 39.90 3iti n ASN 97 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3iti h SER 98 N 0.62 0.02 0.08 0.53 4.64 -1.99 -2.93 113.55 114.52 3iti h SER 98 Ca -0.10 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3iti h SER 98 Cb 0.39 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3iti h SER 98 CO 0.13 0.17 -1.34 0.54 -0.87 0.00 0.00 176.83 175.47 3iti n ARG 99 N -4.35 0.28 -3.84 4.77 1.74 -1.26 -4.75 116.66 109.24 3iti n ARG 99 Ca -0.02 -0.07 -0.29 0.00 -0.77 0.00 0.00 57.85 56.70 3iti n ARG 99 Cb 0.22 -1.52 -0.16 0.00 -1.02 0.00 0.00 32.46 29.98 3iti n ARG 99 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3iti s VAL 100 N -3.21 1.09 -0.01 1.55 1.01 -1.11 -4.33 120.40 115.39 3iti s VAL 100 Ca 0.02 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 3iti s VAL 100 Cb 0.15 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 35.06 3iti s VAL 100 CO 0.87 -0.18 0.17 0.00 0.00 0.00 0.00 175.10 175.96 3iti s ALA 101 N 1.59 -0.42 0.53 5.51 0.00 -0.83 -0.58 121.76 127.56 3iti s ALA 101 Ca -0.03 0.07 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 3iti s ALA 101 Cb -0.18 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.90 3iti s ALA 101 CO -0.08 -0.19 0.95 -1.54 0.00 0.00 0.00 175.76 174.90 3iti s SER 102 N -1.08 6.47 -0.07 0.00 1.04 -1.26 -2.71 113.70 116.08 3iti s SER 102 Ca -0.12 1.42 -0.00 0.00 0.48 0.00 0.00 55.95 57.73 3iti s SER 102 Cb -0.06 -2.45 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 3iti s SER 102 CO 0.02 -0.64 -0.04 -0.51 0.98 0.00 0.00 173.24 173.05 3iti s ILE 103 N -2.75 3.96 0.43 -1.02 1.10 -0.02 -4.86 121.20 118.03 3iti s ILE 103 Ca 0.56 -0.39 -0.23 0.00 -0.51 0.00 0.00 60.65 60.07 3iti s ILE 103 Cb -0.10 -2.65 -0.08 0.00 0.15 0.00 0.00 42.46 39.78 3iti s ILE 103 CO 0.39 0.59 1.09 -0.44 -2.11 0.00 0.00 174.94 174.46 3iti s SER 104 N -0.87 6.50 0.48 4.50 0.01 -1.26 -4.52 113.70 118.53 3iti s SER 104 Ca 0.13 2.14 -0.20 0.00 1.31 0.00 0.00 55.95 59.32 3iti s SER 104 Cb -0.11 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.44 3iti s SER 104 CO 0.02 -0.68 1.03 -0.76 0.41 0.00 0.00 173.24 173.26 3iti s LEU 105 N -2.85 3.85 0.63 2.44 1.43 -1.26 -0.82 118.68 122.10 3iti s LEU 105 Ca 0.61 1.91 -0.16 0.00 -1.03 0.00 0.00 54.13 55.46 3iti s LEU 105 Cb -0.24 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.41 3iti s LEU 105 CO 0.30 -0.75 1.10 -2.16 0.23 0.00 0.00 176.35 175.06 3iti s PRO 106 N -3.23 2.99 -0.02 1.29 0.04 -1.26 -4.83 135.00 129.98 3iti s PRO 106 Ca 0.67 1.36 0.14 0.00 0.04 0.00 0.00 61.00 63.20 3iti s PRO 106 Cb -0.16 -1.98 -0.20 0.00 0.04 0.00 0.00 34.50 32.21 3iti s PRO 106 CO 0.19 -1.10 0.34 0.25 0.04 0.00 0.00 177.00 176.73 3iti n THR 107 N -2.21 0.00 -4.08 1.26 -2.24 -1.26 -4.96 114.28 100.79 3iti n THR 107 Ca 0.10 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 3iti n THR 107 Cb 0.52 0.32 -0.13 0.00 -2.10 0.00 0.00 70.33 68.93 3iti n THR 107 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3iti s SER 108 N -3.36 0.56 0.58 3.42 0.01 -1.26 -5.16 113.70 108.50 3iti s SER 108 Ca -0.03 -0.22 -0.20 0.00 1.31 0.00 0.00 55.95 56.81 3iti s SER 108 Cb 0.09 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.26 3iti s SER 108 CO 0.56 -0.04 1.24 0.00 0.41 0.00 0.00 173.24 175.41 3iti s ALA 110 N -1.51 2.82 0.01 0.00 0.00 -1.26 -5.06 121.76 116.77 3iti s ALA 110 Ca 0.76 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 3iti s ALA 110 Cb -0.33 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 3iti s ALA 110 CO 0.36 -1.11 0.12 -1.12 0.00 0.00 0.00 175.76 174.02 3iti s SER 111 N -4.16 5.93 0.24 0.00 0.01 -1.26 -5.06 113.70 109.40 3iti s SER 111 Ca 0.58 0.20 -0.30 0.00 1.31 0.00 0.00 55.95 57.73 3iti s SER 111 Cb -0.12 -1.75 -0.14 0.00 0.21 0.00 0.00 66.02 64.21 3iti s SER 111 CO 0.53 0.25 1.16 0.00 0.41 0.00 0.00 173.24 175.58 3iti n ALA 112 N 0.93 -0.10 -0.01 1.44 0.00 -1.26 -1.50 120.51 120.01 3iti n ALA 112 Ca -0.11 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3iti n ALA 112 Cb 0.52 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.89 3iti n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iti n GLY 113 N 1.67 1.95 3.76 0.00 0.00 -0.04 -4.97 105.19 107.56 3iti n GLY 113 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3iti n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iti s THR 114 N -2.67 2.71 -0.16 2.61 2.01 -0.56 -4.70 115.64 114.88 3iti s THR 114 Ca 0.00 0.65 -0.22 0.00 0.31 0.00 0.00 61.69 62.43 3iti s THR 114 Cb 0.00 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 3iti s THR 114 CO 0.00 0.13 0.66 -1.10 -0.69 0.00 0.00 174.62 173.62 3iti s GLN 115 N -1.11 4.28 0.32 4.92 -1.52 -1.26 -1.46 119.66 123.83 3iti s GLN 115 Ca 0.54 0.71 0.09 0.00 -1.95 0.00 0.00 55.36 54.75 3iti s GLN 115 Cb -0.41 -3.54 -0.06 0.00 -0.22 0.00 0.00 33.01 28.78 3iti s GLN 115 CO 0.48 -0.17 -0.10 0.00 -0.25 0.00 0.00 175.29 175.26 3iti s LEU 117 N -3.56 3.05 -0.08 0.00 2.96 0.61 -1.35 118.68 120.32 3iti s LEU 117 Ca 0.31 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 3iti s LEU 117 Cb 0.02 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 3iti s LEU 117 CO 0.15 0.01 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.45 3iti s ILE 118 N 1.29 3.30 0.05 6.68 1.01 -0.14 -1.06 121.20 132.34 3iti s ILE 118 Ca 0.04 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 60.01 3iti s ILE 118 Cb -0.14 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 3iti s ILE 118 CO -0.00 0.57 0.12 -0.94 0.00 0.00 0.00 174.94 174.69 3iti s SER 119 N -0.40 0.17 0.00 3.58 1.04 -1.19 -0.47 113.70 116.43 3iti s SER 119 Ca 0.05 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.90 3iti s SER 119 Cb -0.12 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.26 3iti s SER 119 CO 0.02 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.27 3iti n GLY 120 N 0.48 -0.89 1.07 7.32 0.00 -0.39 -4.39 105.19 108.40 3iti n GLY 120 Ca -0.17 -1.23 0.02 0.00 0.00 0.00 0.00 46.02 44.63 3iti n GLY 120 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3iti n TRP 121 N -0.72 1.12 -1.48 1.61 8.01 -1.26 -2.08 117.44 122.63 3iti n TRP 121 Ca 0.00 -1.22 -0.30 0.00 -1.31 0.00 0.00 57.50 54.66 3iti n TRP 121 Cb 0.00 -0.42 0.23 0.00 -2.01 0.00 0.00 31.31 29.11 3iti n TRP 121 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3iti s GLY 122 N -2.15 1.70 0.32 6.99 0.00 -1.24 -4.31 107.32 108.64 3iti s GLY 122 Ca 0.44 -1.21 -0.29 0.00 0.00 0.00 0.00 44.72 43.66 3iti s GLY 122 CO 0.05 -0.31 1.39 -2.01 0.00 0.00 0.00 173.10 172.22 3iti n ASN 123 N -4.42 3.09 -0.83 1.64 5.15 -0.50 -3.04 115.26 116.35 3iti n ASN 123 Ca 0.16 1.19 0.10 0.00 -0.60 0.00 0.00 54.58 55.43 3iti n ASN 123 Cb 0.60 -1.51 0.10 0.00 -0.53 0.00 0.00 39.78 38.43 3iti n ASN 123 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3iti n THR 124 N 0.91 0.08 -4.15 -0.44 -2.24 0.09 -1.10 114.28 107.43 3iti n THR 124 Ca 0.06 -0.54 -0.32 0.00 -2.27 0.00 0.00 64.05 60.98 3iti n THR 124 Cb 0.36 1.34 -0.07 0.00 -2.10 0.00 0.00 70.33 69.85 3iti n THR 124 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3iti s LYS 125 N -1.61 2.91 0.23 -0.78 3.01 -1.26 -4.39 119.74 117.86 3iti s LYS 125 Ca 0.25 -0.59 0.12 0.00 -1.01 0.00 0.00 55.97 54.74 3iti s LYS 125 Cb 0.17 -2.76 0.14 0.00 -1.01 0.00 0.00 37.83 34.38 3iti s LYS 125 CO 0.25 0.62 1.48 0.66 0.51 0.00 0.00 175.35 178.87 3iti h SER 126 N 3.97 0.00 -4.67 2.83 4.64 -1.93 -3.45 113.55 114.94 3iti h SER 126 Ca -0.48 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.66 3iti h SER 126 Cb 1.18 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.04 3iti h SER 126 CO 0.61 0.70 -0.64 -0.94 -0.87 0.00 0.00 176.83 175.69 3iti s SER 127 N -6.65 0.11 0.60 4.97 1.04 -1.26 -4.49 113.70 108.02 3iti s SER 127 Ca 0.01 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.16 3iti s SER 127 Cb 0.10 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.35 3iti s SER 127 CO 0.77 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.35 3iti n GLY 128 N 1.93 -0.97 2.94 7.32 0.00 -1.26 -5.01 105.19 110.13 3iti n GLY 128 Ca -0.21 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 3iti n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iti s THR 129 N 0.00 -0.01 -0.21 2.61 -4.23 -1.26 -4.60 115.64 107.94 3iti s THR 129 Ca 0.00 0.04 -0.09 0.00 -1.18 0.00 0.00 61.69 60.46 3iti s THR 129 Cb 0.00 -0.13 0.08 0.00 1.34 0.00 0.00 72.50 73.79 3iti s THR 129 CO 0.00 0.02 0.47 -0.55 -0.54 0.00 0.00 174.62 174.01 3iti s SER 130 N 0.25 -0.51 -0.17 3.99 0.15 -1.26 -4.94 113.70 111.21 3iti s SER 130 Ca -0.02 1.07 -0.02 0.00 0.70 0.00 0.00 55.95 57.68 3iti s SER 130 Cb -0.03 1.22 -0.01 0.00 -1.71 0.00 0.00 66.02 65.49 3iti s SER 130 CO -0.01 -0.22 -0.09 -0.31 1.20 0.00 0.00 173.24 173.81 3iti s TYR 131 N 2.07 2.89 0.63 3.44 2.02 -1.26 -0.73 117.35 126.41 3iti s TYR 131 Ca -0.06 -0.73 -0.09 0.00 -0.37 0.00 0.00 57.07 55.82 3iti s TYR 131 Cb -0.10 -1.95 -0.00 0.00 -0.40 0.00 0.00 41.96 39.51 3iti s TYR 131 CO -0.14 -0.32 1.00 -1.25 -1.57 0.00 0.00 175.55 173.26 3iti s PRO 132 N 0.77 3.09 -0.14 -1.71 0.04 -1.26 -5.00 135.00 130.79 3iti s PRO 132 Ca -0.04 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.36 3iti s PRO 132 Cb -0.15 -2.14 -0.24 0.00 0.04 0.00 0.00 34.50 32.01 3iti s PRO 132 CO 0.01 -0.77 0.29 -0.25 0.04 0.00 0.00 177.00 176.33 3iti n ASP 133 N -2.76 1.73 -4.96 6.66 8.00 -1.26 -4.91 116.55 119.05 3iti n ASP 133 Ca 0.05 0.17 -0.22 0.00 0.71 0.00 0.00 54.79 55.50 3iti n ASP 133 Cb 0.56 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 3iti n ASP 133 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3iti s VAL 134 N -2.55 5.24 0.20 2.53 -7.23 -1.26 -1.22 120.40 116.10 3iti s VAL 134 Ca -0.21 -0.83 -0.30 0.00 -1.81 0.00 0.00 61.98 58.83 3iti s VAL 134 Cb 0.07 -3.84 -0.09 0.00 0.56 0.00 0.00 36.38 33.09 3iti s VAL 134 CO 0.75 -0.33 1.31 -0.22 -0.31 0.00 0.00 175.10 176.30 3iti s LEU 135 N -3.91 4.41 0.13 1.32 2.96 -1.20 -4.86 118.68 117.52 3iti s LEU 135 Ca 0.35 2.40 0.05 0.00 -0.22 0.00 0.00 54.13 56.72 3iti s LEU 135 Cb -0.09 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 3iti s LEU 135 CO 0.30 -0.53 0.03 -0.54 -1.32 0.00 0.00 176.35 174.29 3iti s LYS 136 N -0.07 2.61 0.09 1.98 -0.14 -0.89 -1.64 119.74 121.67 3iti s LYS 136 Ca 0.57 -0.91 0.04 0.00 -1.36 0.00 0.00 55.97 54.32 3iti s LYS 136 Cb -0.37 -2.53 -0.03 0.00 -1.68 0.00 0.00 37.83 33.22 3iti s LYS 136 CO 0.38 0.51 -0.11 0.00 -0.76 0.00 0.00 175.35 175.36 3iti s LEU 138 N -2.17 0.74 -0.09 0.00 2.96 0.38 -0.91 118.68 119.60 3iti s LEU 138 Ca 0.02 0.31 -0.22 0.00 -0.22 0.00 0.00 54.13 54.03 3iti s LEU 138 Cb -0.06 0.40 -0.04 0.00 0.50 0.00 0.00 46.19 46.99 3iti s LEU 138 CO 0.01 -0.14 0.66 -0.54 -1.32 0.00 0.00 176.35 175.02 3iti s LYS 139 N 1.11 4.40 -0.13 1.98 -0.14 -1.26 -0.97 119.74 124.73 3iti s LYS 139 Ca -0.09 0.79 -0.14 0.00 -1.36 0.00 0.00 55.97 55.17 3iti s LYS 139 Cb -0.11 -3.46 0.04 0.00 -1.68 0.00 0.00 37.83 32.62 3iti s LYS 139 CO -0.06 0.05 0.39 0.00 -0.76 0.00 0.00 175.35 174.97 3iti s ALA 140 N 0.88 -0.97 0.26 5.17 0.00 -0.45 -4.95 121.76 121.69 3iti s ALA 140 Ca 0.35 1.04 -0.14 0.00 0.00 0.00 0.00 51.96 53.21 3iti s ALA 140 Cb -0.17 -0.57 -0.08 0.00 0.00 0.00 0.00 23.12 22.30 3iti s ALA 140 CO 0.16 -0.20 0.65 -1.25 0.00 0.00 0.00 175.76 175.13 3iti s PRO 141 N 0.04 3.96 0.15 0.00 0.04 -1.26 -0.46 135.00 137.46 3iti s PRO 141 Ca -0.02 0.54 -0.31 0.00 0.04 0.00 0.00 61.00 61.25 3iti s PRO 141 Cb -0.03 -2.60 -0.10 0.00 0.04 0.00 0.00 34.50 31.82 3iti s PRO 141 CO 0.01 0.27 1.54 0.42 0.04 0.00 0.00 177.00 179.27 3iti s ILE 142 N -1.83 2.76 0.39 0.56 1.01 -0.53 -1.70 121.20 121.85 3iti s ILE 142 Ca 0.49 0.54 -0.02 0.00 0.00 0.00 0.00 60.65 61.66 3iti s ILE 142 Cb -0.12 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 3iti s ILE 142 CO 0.19 0.04 0.64 -0.76 0.00 0.00 0.00 174.94 175.05 3iti s LEU 143 N 1.17 3.88 0.65 2.97 1.43 0.14 -0.86 118.68 128.06 3iti s LEU 143 Ca 0.69 0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 54.28 3iti s LEU 143 Cb -0.42 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.24 3iti s LEU 143 CO 0.31 -0.38 1.24 -0.94 0.23 0.00 0.00 176.35 176.80 3iti s SER 144 N -3.94 4.70 0.27 2.29 1.04 -1.26 -4.67 113.70 112.12 3iti s SER 144 Ca 0.43 2.46 -0.00 0.00 0.48 0.00 0.00 55.95 59.31 3iti s SER 144 Cb -0.10 -2.60 0.55 0.00 0.10 0.00 0.00 66.02 63.97 3iti s SER 144 CO 0.38 -1.93 1.76 0.44 0.98 0.00 0.00 173.24 174.87 3iti h ASP 145 N 0.41 0.55 -0.65 7.02 3.32 -1.97 -0.55 116.42 124.56 3iti h ASP 145 Ca -0.50 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 3iti h ASP 145 Cb 1.31 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.84 3iti h ASP 145 CO 0.53 0.22 0.22 -1.28 -1.72 0.00 0.00 179.24 177.21 3iti h SER 146 N 0.63 0.92 0.42 6.45 0.87 -1.99 -0.07 113.55 120.78 3iti h SER 146 Ca 0.47 -0.19 -0.21 0.00 -1.23 0.00 0.00 61.79 60.63 3iti h SER 146 Cb 0.68 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3iti h SER 146 CO -0.37 0.87 -0.90 0.77 -0.53 0.00 0.00 176.83 176.67 3iti h SER 147 N 0.92 0.43 -0.10 6.23 4.64 -1.74 -1.07 113.55 122.86 3iti h SER 147 Ca 0.21 -0.34 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 3iti h SER 147 Cb 0.26 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3iti h SER 147 CO -0.01 1.13 -0.00 0.00 -0.87 0.00 0.00 176.83 177.08 3iti h LYS 149 N -0.11 0.77 0.00 0.00 1.79 -1.03 -2.17 116.57 115.82 3iti h LYS 149 Ca 0.03 -0.23 -0.08 0.00 -2.18 0.00 0.00 60.65 58.19 3iti h LYS 149 Cb 0.36 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 3iti h LYS 149 CO 0.01 0.82 -0.38 0.77 -1.08 0.00 0.00 179.45 179.59 3iti h SER 150 N 0.71 0.00 0.24 0.86 0.02 -1.11 -2.64 113.55 111.63 3iti h SER 150 Ca 0.13 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 3iti h SER 150 Cb 0.51 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3iti h SER 150 CO 0.03 0.38 -0.44 0.00 -1.14 0.00 0.00 176.83 175.65 3iti h ALA 151 N 1.62 1.05 -2.06 3.77 0.00 -0.70 -3.37 119.26 119.57 3iti h ALA 151 Ca -0.00 -0.44 -0.57 0.00 0.00 0.00 0.00 54.91 53.90 3iti h ALA 151 Cb 0.67 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.98 3iti h ALA 151 CO 0.05 0.62 -1.01 0.66 0.00 0.00 0.00 179.25 179.57 3iti n TYR 152 N -4.00 0.37 -1.83 0.00 4.01 -0.87 -4.90 117.16 109.94 3iti n TYR 152 Ca -0.02 -3.66 -0.41 0.00 -0.16 0.00 0.00 57.90 53.64 3iti n TYR 152 Cb 0.50 -0.37 -0.02 0.00 -0.31 0.00 0.00 39.34 39.15 3iti n TYR 152 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 3iti s PRO 153 N -1.37 4.16 -0.82 -0.72 0.02 -1.01 -1.78 135.00 133.48 3iti s PRO 153 Ca 0.36 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.89 3iti s PRO 153 Cb 0.16 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.63 3iti s PRO 153 CO -0.10 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 3iti n GLY 154 N 2.22 0.86 0.01 0.52 0.00 -1.26 -4.85 105.19 102.68 3iti n GLY 154 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3iti n GLY 154 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iti n GLN 155 N -1.38 4.48 -3.45 1.61 6.02 -0.73 -4.99 117.38 118.94 3iti n GLN 155 Ca -0.08 -0.16 -0.39 0.00 -0.01 0.00 0.00 57.00 56.36 3iti n GLN 155 Cb 0.43 -0.67 -0.10 0.00 1.02 0.00 0.00 30.24 30.92 3iti n GLN 155 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3iti s ILE 156 N -0.75 5.21 0.56 5.09 -1.09 -1.25 -5.02 121.20 123.96 3iti s ILE 156 Ca 0.00 0.46 0.03 0.00 -2.23 0.00 0.00 60.65 58.92 3iti s ILE 156 Cb 0.00 -3.65 0.05 0.00 -1.58 0.00 0.00 42.46 37.29 3iti s ILE 156 CO 0.02 0.18 0.78 0.42 -1.23 0.00 0.00 174.94 175.11 3iti s THR 157 N 1.98 2.56 -1.42 2.92 -4.23 -1.26 -4.98 115.64 111.20 3iti s THR 157 Ca 0.13 -0.77 0.12 0.00 -1.18 0.00 0.00 61.69 59.99 3iti s THR 157 Cb -0.16 -2.79 0.20 0.00 1.34 0.00 0.00 72.50 71.10 3iti s THR 157 CO 0.10 0.00 1.28 -1.54 -0.54 0.00 0.00 174.62 173.92 3iti n SER 158 N -2.32 0.00 -1.60 3.99 3.41 -1.26 -1.98 113.62 113.85 3iti n SER 158 Ca 0.10 0.12 0.10 0.00 -0.26 0.00 0.00 58.87 58.94 3iti n SER 158 Cb 0.60 -0.29 0.36 0.00 -0.26 0.00 0.00 64.21 64.62 3iti n SER 158 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3iti n ASN 159 N -1.29 4.75 -4.19 4.04 3.02 -1.26 -4.94 115.26 115.40 3iti n ASN 159 Ca 0.06 -2.40 -0.19 0.00 -0.03 0.00 0.00 54.58 52.01 3iti n ASN 159 Cb 0.09 -0.58 -0.12 0.00 -0.61 0.00 0.00 39.78 38.57 3iti n ASN 159 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3iti s MET 160 N -1.77 0.86 0.06 3.52 -1.94 -0.84 -0.97 119.30 118.22 3iti s MET 160 Ca 0.52 -1.00 -0.01 0.00 -1.71 0.00 0.00 55.69 53.49 3iti s MET 160 Cb 0.33 -0.87 -0.04 0.00 2.01 0.00 0.00 34.83 36.26 3iti s MET 160 CO 0.26 0.19 -0.03 -0.59 -0.01 0.00 0.00 175.02 174.84 3iti s PHE 161 N -1.37 0.60 -0.01 -0.03 -0.12 -0.39 -4.81 117.98 111.85 3iti s PHE 161 Ca -0.00 -1.05 -0.02 0.00 -0.05 0.00 0.00 56.93 55.81 3iti s PHE 161 Cb -0.09 -0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 41.84 3iti s PHE 161 CO 0.02 -0.34 0.14 0.00 -0.05 0.00 0.00 175.22 174.99 3iti s ALA 163 N -1.27 -0.63 0.00 0.00 0.00 -0.69 -0.69 121.76 118.48 3iti s ALA 163 Ca 0.25 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.39 3iti s ALA 163 Cb -0.12 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.08 3iti s ALA 163 CO 0.17 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3iti n GLY 164 N 1.34 0.30 2.69 0.00 0.00 -0.69 -2.62 105.19 106.21 3iti n GLY 164 Ca -0.22 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 43.87 3iti n GLY 164 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iti s TYR 165 N -1.84 0.63 0.60 1.61 1.51 -1.26 -4.35 117.35 114.24 3iti s TYR 165 Ca 0.00 -0.54 0.35 0.00 -1.01 0.00 0.00 57.07 55.88 3iti s TYR 165 Cb 0.00 -0.85 2.03 0.00 -0.11 0.00 0.00 41.96 43.02 3iti s TYR 165 CO 0.00 -0.53 2.29 -0.07 -1.11 0.00 0.00 175.55 176.13 3iti h LEU 166 N 8.33 0.00 -0.12 -1.29 3.38 -1.95 -1.83 115.31 121.83 3iti h LEU 166 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3iti h LEU 166 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3iti h LEU 166 CO 0.30 0.01 0.00 -1.84 0.09 0.00 0.00 178.44 177.00 3iti n GLU 167 N -3.53 0.12 0.00 1.13 0.00 -1.26 -0.38 120.64 116.73 3iti n GLU 167 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.32 3iti n GLU 167 Cb 0.09 -1.67 0.00 0.00 0.00 0.00 0.00 31.44 29.86 3iti n GLU 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3iti n GLY 168 N 0.92 1.15 1.34 -1.84 0.00 -0.69 -4.47 105.19 101.60 3iti n GLY 168 Ca 0.05 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3iti n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iti n GLY 169 N 1.36 1.23 2.71 -0.02 0.00 -0.22 -4.94 105.19 105.30 3iti n GLY 169 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3iti n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iti s LYS 170 N -0.55 0.43 0.17 1.61 1.02 -1.26 -3.68 119.74 117.49 3iti s LYS 170 Ca 0.00 -0.12 -0.24 0.00 0.02 0.00 0.00 55.97 55.63 3iti s LYS 170 Cb 0.00 -1.59 0.06 0.00 -0.52 0.00 0.00 37.83 35.78 3iti s LYS 170 CO 0.00 -0.53 0.94 0.34 -0.92 0.00 0.00 175.35 175.19 3iti s ASP 171 N 1.98 -0.16 0.82 2.83 2.15 -0.67 -4.25 116.67 119.37 3iti s ASP 171 Ca 0.02 -0.47 -0.07 0.00 0.43 0.00 0.00 52.55 52.46 3iti s ASP 171 Cb -0.15 0.52 0.16 0.00 -0.30 0.00 0.00 42.92 43.15 3iti s ASP 171 CO -0.07 -0.97 1.13 -0.94 -0.17 0.00 0.00 175.17 174.15 3iti s SER 172 N -2.99 3.81 0.26 -0.34 1.04 -1.26 -0.55 113.70 113.66 3iti s SER 172 Ca 0.13 -0.13 -0.21 0.00 0.48 0.00 0.00 55.95 56.22 3iti s SER 172 Cb -0.02 -0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.06 3iti s SER 172 CO 0.03 -2.24 0.86 0.00 0.98 0.00 0.00 173.24 172.87 3iti n GLN 174 N -0.52 1.89 0.00 0.00 3.00 -1.26 -1.13 117.38 119.36 3iti n GLN 174 Ca -0.05 0.68 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 3iti n GLN 174 Cb 0.60 -2.44 0.00 0.00 0.00 0.00 0.00 30.24 28.40 3iti n GLN 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3iti n GLY 175 N 0.79 3.07 0.17 1.08 0.00 -1.26 -1.41 105.19 107.62 3iti n GLY 175 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.18 3iti n GLY 175 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3iti h ASP 176 N 0.00 0.00 -0.80 1.61 3.32 -1.43 -3.30 116.42 115.83 3iti h ASP 176 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3iti h ASP 176 Cb 0.00 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.61 3iti h ASP 176 CO 0.00 0.18 -0.14 -1.20 -1.72 0.00 0.00 179.24 176.36 3iti n SER 177 N -3.03 -0.40 0.00 6.45 7.64 -1.23 -1.04 113.62 122.01 3iti n SER 177 Ca 0.02 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.81 3iti n SER 177 Cb 0.61 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 3iti n SER 177 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iti n GLY 178 N 1.35 2.42 3.94 0.23 0.00 -0.14 -0.38 105.19 112.61 3iti n GLY 178 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3iti n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iti n GLY 179 N -2.00 -0.51 3.79 -0.02 0.00 -0.21 -3.59 105.19 102.65 3iti n GLY 179 Ca 0.00 -1.86 -0.36 0.00 0.00 0.00 0.00 46.02 43.80 3iti n GLY 179 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iti s PRO 180 N -5.59 4.51 -0.28 1.61 0.04 -1.26 -1.26 135.00 132.77 3iti s PRO 180 Ca 0.72 1.28 0.02 0.00 0.04 0.00 0.00 61.00 63.06 3iti s PRO 180 Cb -0.03 -2.70 0.06 0.00 0.04 0.00 0.00 34.50 31.87 3iti s PRO 180 CO 0.50 0.23 -0.07 0.08 0.04 0.00 0.00 177.00 177.78 3iti s VAL 181 N -1.71 2.38 -0.15 -0.36 1.01 -0.22 -3.19 120.40 118.17 3iti s VAL 181 Ca 0.52 -1.65 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 3iti s VAL 181 Cb -0.17 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3iti s VAL 181 CO 0.22 -0.10 -0.08 -0.69 0.00 0.00 0.00 175.10 174.44 3iti s VAL 182 N 1.12 3.48 -0.05 2.92 1.01 -0.22 -0.77 120.40 127.89 3iti s VAL 182 Ca -0.06 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3iti s VAL 182 Cb -0.20 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.70 3iti s VAL 182 CO -0.04 0.50 -0.03 0.00 0.00 0.00 0.00 175.10 175.53 3iti n SER 184 N 4.26 -2.98 0.00 0.00 7.64 -1.26 -1.55 113.62 119.73 3iti n SER 184 Ca -0.22 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.68 3iti n SER 184 Cb 0.51 -2.94 0.00 0.00 -1.01 0.00 0.00 64.21 60.77 3iti n SER 184 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iti n GLY 185 N -1.54 0.45 3.35 0.23 0.00 -1.26 -5.01 105.19 101.41 3iti n GLY 185 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 3iti n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iti s LYS 186 N -0.35 1.30 -0.67 1.61 -0.14 -0.59 -4.12 119.74 116.77 3iti s LYS 186 Ca 0.00 -1.32 -0.27 0.00 -1.36 0.00 0.00 55.97 53.02 3iti s LYS 186 Cb 0.00 -1.62 0.02 0.00 -1.68 0.00 0.00 37.83 34.55 3iti s LYS 186 CO 0.00 0.37 1.37 -1.17 -0.76 0.00 0.00 175.35 175.16 3iti s LEU 187 N -2.19 3.26 -0.05 3.17 2.96 0.00 -1.41 118.68 124.41 3iti s LEU 187 Ca 0.12 -0.14 0.18 0.00 -0.22 0.00 0.00 54.13 54.07 3iti s LEU 187 Cb -0.09 -2.72 -0.27 0.00 0.50 0.00 0.00 46.19 43.61 3iti s LEU 187 CO 0.06 -1.85 0.33 0.00 -1.32 0.00 0.00 176.35 173.58 3iti n GLN 188 N 9.11 0.68 -4.11 1.98 1.13 0.05 -4.23 117.38 122.00 3iti n GLN 188 Ca 0.08 -0.14 -0.09 0.00 -1.94 0.00 0.00 57.00 54.91 3iti n GLN 188 Cb 0.49 -1.43 -0.10 0.00 0.11 0.00 0.00 30.24 29.31 3iti n GLN 188 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3iti s GLY 189 N -4.27 0.57 -0.07 1.08 0.00 -0.36 -1.80 107.32 102.46 3iti s GLY 189 Ca -0.07 -1.17 0.05 0.00 0.00 0.00 0.00 44.72 43.53 3iti s GLY 189 CO 0.74 -1.27 -0.22 -0.42 0.00 0.00 0.00 173.10 171.93 3iti s ILE 190 N -3.35 1.88 -0.01 0.90 1.01 -1.04 -1.05 121.20 119.54 3iti s ILE 190 Ca 0.05 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 3iti s ILE 190 Cb 0.04 -1.62 -0.09 0.00 0.01 0.00 0.00 42.46 40.80 3iti s ILE 190 CO -0.06 0.52 2.00 0.52 0.00 0.00 0.00 174.94 177.92 3iti n VAL 191 N 3.30 0.70 0.03 2.92 0.31 -0.39 -1.61 118.33 123.60 3iti n VAL 191 Ca -0.19 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3iti n VAL 191 Cb 0.52 -2.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 3iti n VAL 191 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3iti n SER 192 N 7.99 0.43 -2.98 4.52 2.88 -1.09 -0.97 113.62 124.40 3iti n SER 192 Ca 0.22 0.10 -0.09 0.00 -1.33 0.00 0.00 58.87 57.77 3iti n SER 192 Cb 0.40 -0.10 0.02 0.00 -0.75 0.00 0.00 64.21 63.78 3iti n SER 192 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3iti s TRP 193 N -1.49 0.22 0.00 0.66 1.48 -0.61 -4.94 118.94 114.25 3iti s TRP 193 Ca 0.00 -0.84 0.00 0.00 -1.06 0.00 0.00 56.10 54.20 3iti s TRP 193 Cb 0.00 0.73 0.00 0.00 -1.16 0.00 0.00 33.47 33.04 3iti s TRP 193 CO 0.00 -1.52 0.00 0.41 -4.06 0.00 0.00 176.95 171.78 3iti n GLY 194 N -0.53 1.08 3.53 3.67 0.00 -1.26 -0.88 105.19 110.80 3iti n GLY 194 Ca -0.07 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 3iti n GLY 194 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iti s SER 195 N 0.00 6.33 0.91 1.61 0.15 -1.26 -4.89 113.70 116.55 3iti s SER 195 Ca 0.00 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.41 3iti s SER 195 Cb 0.00 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 3iti s SER 195 CO 0.00 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.35 3iti n GLY 196 N 4.95 1.36 2.89 9.45 0.00 -1.26 -4.57 105.19 118.01 3iti n GLY 196 Ca -0.02 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 3iti n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iti n ALA 198 N 4.69 -0.54 -2.04 0.00 0.00 -1.26 -4.48 120.51 116.88 3iti n ALA 198 Ca -0.17 0.15 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 3iti n ALA 198 Cb 0.51 -2.16 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 3iti n ALA 198 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3iti s GLN 199 N -4.97 4.28 0.20 0.00 -1.52 -1.26 -1.06 119.66 115.34 3iti s GLN 199 Ca 0.07 0.94 -0.32 0.00 -1.95 0.00 0.00 55.36 54.09 3iti s GLN 199 Cb -0.03 -2.80 -0.14 0.00 -0.22 0.00 0.00 33.01 29.82 3iti s GLN 199 CO 0.09 0.34 1.42 1.17 -0.25 0.00 0.00 175.29 178.05 3iti n LYS 200 N 0.54 1.89 -1.59 2.91 4.81 -1.26 -1.99 118.16 123.48 3iti n LYS 200 Ca -0.01 0.68 -0.18 0.00 -0.87 0.00 0.00 58.31 57.93 3iti n LYS 200 Cb 0.51 -2.34 -0.07 0.00 0.02 0.00 0.00 35.03 33.15 3iti n LYS 200 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3iti n ASN 201 N 2.48 -5.20 -3.38 3.14 3.02 0.49 -4.91 115.26 110.91 3iti n ASN 201 Ca 0.14 0.42 -0.26 0.00 -0.03 0.00 0.00 54.58 54.84 3iti n ASN 201 Cb 0.29 -4.30 -0.09 0.00 -0.61 0.00 0.00 39.78 35.07 3iti n ASN 201 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3iti n LYS 202 N -2.49 0.67 -1.43 3.52 4.76 -0.84 -4.70 118.16 117.64 3iti n LYS 202 Ca -0.18 -3.42 -0.29 0.00 -2.87 0.00 0.00 58.31 51.55 3iti n LYS 202 Cb 0.60 -1.62 0.15 0.00 -1.84 0.00 0.00 35.03 32.33 3iti n LYS 202 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3iti s PRO 203 N -0.67 0.80 0.49 1.97 0.04 -1.26 -4.28 135.00 132.09 3iti s PRO 203 Ca 0.33 0.29 -0.22 0.00 0.04 0.00 0.00 61.00 61.45 3iti s PRO 203 Cb 0.08 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.76 3iti s PRO 203 CO -0.16 -2.43 1.19 0.20 0.04 0.00 0.00 177.00 175.84 3iti s GLY 204 N -3.91 2.77 -0.09 0.56 0.00 -1.08 -4.65 107.32 100.92 3iti s GLY 204 Ca 0.65 0.97 0.02 0.00 0.00 0.00 0.00 44.72 46.36 3iti s GLY 204 CO 0.54 1.42 -0.14 0.14 0.00 0.00 0.00 173.10 175.06 3iti s VAL 205 N -1.55 2.99 -0.02 1.40 1.01 -0.06 -1.70 120.40 122.48 3iti s VAL 205 Ca 0.67 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3iti s VAL 205 Cb -0.30 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 3iti s VAL 205 CO 0.35 0.55 -0.12 -0.31 0.00 0.00 0.00 175.10 175.58 3iti s TYR 206 N -0.10 1.11 0.20 5.22 2.02 0.71 -1.58 117.35 124.93 3iti s TYR 206 Ca -0.02 -0.24 -0.31 0.00 -0.37 0.00 0.00 57.07 56.14 3iti s TYR 206 Cb -0.14 -0.73 -0.10 0.00 -0.40 0.00 0.00 41.96 40.59 3iti s TYR 206 CO 0.04 -0.05 1.50 0.99 -1.57 0.00 0.00 175.55 176.46 3iti s THR 207 N -0.14 2.68 -1.01 -0.71 2.01 -0.63 -1.26 115.64 116.58 3iti s THR 207 Ca 0.02 0.52 -0.19 0.00 0.31 0.00 0.00 61.69 62.36 3iti s THR 207 Cb -0.06 -3.34 0.12 0.00 0.01 0.00 0.00 72.50 69.23 3iti s THR 207 CO -0.00 0.06 1.27 -0.75 -0.69 0.00 0.00 174.62 174.51 3iti s LYS 208 N 0.50 3.70 0.38 4.92 2.20 -0.15 -2.51 119.74 128.79 3iti s LYS 208 Ca 0.65 -1.79 0.10 0.00 -0.36 0.00 0.00 55.97 54.57 3iti s LYS 208 Cb -0.42 -5.06 0.87 0.00 -1.51 0.00 0.00 37.83 31.71 3iti s LYS 208 CO 0.36 -1.88 1.92 0.28 -0.36 0.00 0.00 175.35 175.67 3iti h VAL 209 N 5.80 0.89 -0.12 4.02 2.07 -1.65 -1.45 116.25 125.80 3iti h VAL 209 Ca 0.21 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3iti h VAL 209 Cb 0.99 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3iti h VAL 209 CO 1.21 0.11 0.15 0.00 0.02 0.00 0.00 177.57 179.06 3iti n ASN 211 N -3.73 0.23 -0.35 0.00 3.02 -0.55 -3.72 115.26 110.17 3iti n ASN 211 Ca 0.00 0.55 0.04 0.00 -0.03 0.00 0.00 54.58 55.14 3iti n ASN 211 Cb 0.26 -0.60 0.06 0.00 -0.61 0.00 0.00 39.78 38.88 3iti n ASN 211 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3iti n TYR 212 N -1.75 0.12 0.08 3.10 4.01 0.34 -4.73 117.16 118.34 3iti n TYR 212 Ca 0.04 -0.19 -0.05 0.00 -0.16 0.00 0.00 57.90 57.54 3iti n TYR 212 Cb 0.22 -0.01 0.14 0.00 -0.31 0.00 0.00 39.34 39.37 3iti n TYR 212 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3iti h VAL 213 N 1.42 1.36 -0.32 -0.72 2.07 -1.64 0.57 116.25 119.01 3iti h VAL 213 Ca 0.00 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.66 3iti h VAL 213 Cb 0.44 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 3iti h VAL 213 CO 0.00 0.55 0.21 0.77 0.02 0.00 0.00 177.57 179.12 3iti h SER 214 N 0.20 0.36 -0.70 0.57 4.64 -1.87 0.62 113.55 117.37 3iti h SER 214 Ca 0.00 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 3iti h SER 214 Cb 1.04 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 3iti h SER 214 CO 0.09 0.26 0.20 -0.25 -0.87 0.00 0.00 176.83 176.25 3iti h TRP 215 N 0.42 1.15 0.04 4.77 7.01 -1.77 -0.99 115.95 126.58 3iti h TRP 215 Ca 0.12 -0.13 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 3iti h TRP 215 Cb -0.04 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 26.69 3iti h TRP 215 CO -0.06 0.92 -0.02 0.82 -2.79 0.00 0.00 178.44 177.32 3iti h ILE 216 N 1.04 0.97 -0.49 2.65 2.04 -0.64 -0.21 117.51 122.87 3iti h ILE 216 Ca 0.22 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 3iti h ILE 216 Cb 0.34 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3iti h ILE 216 CO -0.00 0.01 0.19 0.11 0.00 0.00 0.00 178.15 178.47 3iti h LYS 217 N -0.08 0.73 -0.74 2.37 6.56 -0.66 -0.91 116.57 123.84 3iti h LYS 217 Ca -0.01 -0.13 -0.07 0.00 -1.06 0.00 0.00 60.65 59.39 3iti h LYS 217 Cb 0.07 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.58 3iti h LYS 217 CO 0.01 0.65 0.21 1.96 -2.06 0.00 0.00 179.45 180.22 3iti h GLN 218 N 0.65 1.16 -0.22 3.15 7.50 -1.11 -2.02 115.11 124.21 3iti h GLN 218 Ca 0.16 -0.26 -0.07 0.00 0.50 0.00 0.00 58.65 58.98 3iti h GLN 218 Cb 0.20 -0.16 -0.00 0.00 0.05 0.00 0.00 27.48 27.56 3iti h GLN 218 CO -0.01 1.00 -0.14 1.15 -1.50 0.00 0.00 178.83 179.32 3iti h THR 219 N 1.11 1.31 0.00 -0.54 2.02 -0.64 -3.05 112.91 113.12 3iti h THR 219 Ca 0.23 -1.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.13 3iti h THR 219 Cb 0.34 1.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.41 3iti h THR 219 CO -0.00 0.38 -0.16 0.16 0.37 0.00 0.00 175.52 176.28 3iti h ILE 220 N 0.18 0.37 0.00 3.11 3.07 -1.13 -2.31 117.51 120.79 3iti h ILE 220 Ca 0.04 -0.98 0.00 0.00 1.55 0.00 0.00 64.86 65.47 3iti h ILE 220 Cb 0.66 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.95 3iti h ILE 220 CO 0.04 0.15 0.00 0.00 -1.05 0.00 0.00 178.15 177.29 3iti n ALA 221 N -2.18 1.68 -0.28 0.16 0.00 -0.77 -3.62 120.51 115.51 3iti n ALA 221 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3iti n ALA 221 Cb 0.41 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.51 3iti n ALA 221 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3iti n SER 222 N -2.07 1.59 0.00 0.00 7.64 -0.89 -5.09 113.62 114.79 3iti n SER 222 Ca 0.03 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 58.05 3iti n SER 222 Cb 0.22 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 3iti n SER 222 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62