#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3tgi s VAL 17 N 0.00 5.39 -0.68 1.39 1.01 0.61 -4.05 120.40 124.07 3tgi s VAL 17 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3tgi s VAL 17 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3tgi s VAL 17 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3tgi n GLY 18 N 2.76 0.87 0.00 4.51 0.00 -1.26 -1.97 105.19 110.11 3tgi n GLY 18 Ca -0.18 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3tgi n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3tgi n GLY 19 N -1.99 1.66 3.14 -0.02 0.00 -1.26 -4.87 105.19 101.86 3tgi n GLY 19 Ca -0.06 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 3tgi n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3tgi s TYR 20 N 2.09 0.25 0.08 1.61 -0.85 0.02 -4.93 117.35 115.61 3tgi s TYR 20 Ca 0.00 -0.65 -0.31 0.00 -0.52 0.00 0.00 57.07 55.59 3tgi s TYR 20 Cb 0.00 -0.17 -0.08 0.00 0.38 0.00 0.00 41.96 42.10 3tgi s TYR 20 CO 0.00 -0.43 1.46 0.99 -1.52 0.00 0.00 175.55 176.05 3tgi s THR 21 N -3.31 3.30 0.65 -3.49 2.01 -1.26 0.70 115.64 114.24 3tgi s THR 21 Ca 0.01 0.85 -0.16 0.00 0.31 0.00 0.00 61.69 62.70 3tgi s THR 21 Cb 0.03 -3.54 -0.00 0.00 0.01 0.00 0.00 72.50 68.99 3tgi s THR 21 CO -0.08 0.03 1.15 0.00 -0.69 0.00 0.00 174.62 175.03 3tgi s GLN 23 N -3.85 4.36 -0.38 0.00 0.74 -1.26 -4.84 119.66 114.43 3tgi s GLN 23 Ca 0.71 2.14 -0.45 0.00 0.05 0.00 0.00 55.36 57.81 3tgi s GLN 23 Cb -0.24 -3.15 -0.19 0.00 1.10 0.00 0.00 33.01 30.53 3tgi s GLN 23 CO 0.39 -0.27 1.56 -1.91 -0.55 0.00 0.00 175.29 174.52 3tgi n GLU 24 N 2.13 0.27 -3.18 1.67 2.13 -1.26 -0.65 120.64 121.76 3tgi n GLU 24 Ca 0.05 0.10 -0.23 0.00 0.66 0.00 0.00 57.16 57.74 3tgi n GLU 24 Cb 0.42 -1.64 0.02 0.00 0.27 0.00 0.00 31.44 30.50 3tgi n GLU 24 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3tgi n ASN 25 N 3.97 -4.87 -0.20 4.31 5.03 -1.26 -4.86 115.26 117.39 3tgi n ASN 25 Ca 0.28 -0.32 0.12 0.00 0.87 0.00 0.00 54.58 55.53 3tgi n ASN 25 Cb 0.00 -3.98 0.27 0.00 -1.02 0.00 0.00 39.78 35.06 3tgi n ASN 25 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3tgi n SER 26 N -2.39 1.00 -3.29 6.41 3.41 0.18 -4.14 113.62 114.80 3tgi n SER 26 Ca -0.07 -0.81 -0.25 0.00 -0.26 0.00 0.00 58.87 57.49 3tgi n SER 26 Cb 0.58 0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 64.72 3tgi n SER 26 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3tgi n VAL 27 N -0.85 0.99 0.28 -3.33 0.31 -1.26 -4.97 118.33 109.51 3tgi n VAL 27 Ca 0.10 -4.70 0.18 0.00 -0.01 0.00 0.00 64.34 59.91 3tgi n VAL 27 Cb 0.36 -1.94 0.96 0.00 -0.91 0.00 0.00 33.84 32.30 3tgi n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3tgi h PRO 28 N 4.00 0.00 -0.00 5.55 0.13 -1.79 -2.29 132.00 137.60 3tgi h PRO 28 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3tgi h PRO 28 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3tgi h PRO 28 CO 0.66 0.00 -0.39 2.48 -0.23 0.00 0.00 178.00 180.52 3tgi n TYR 29 N -2.80 0.00 -2.47 1.56 0.18 -1.20 -2.19 117.16 110.25 3tgi n TYR 29 Ca -0.02 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.35 3tgi n TYR 29 Cb 0.09 -0.22 -0.04 0.00 -0.38 0.00 0.00 39.34 38.79 3tgi n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3tgi s GLN 30 N -2.84 4.57 0.19 -3.48 2.00 -0.86 -1.31 119.66 117.92 3tgi s GLN 30 Ca 0.16 1.77 0.05 0.00 -2.00 0.00 0.00 55.36 55.34 3tgi s GLN 30 Cb 0.18 -3.26 -0.05 0.00 0.80 0.00 0.00 33.01 30.69 3tgi s GLN 30 CO 0.63 0.04 -0.09 0.14 -0.50 0.00 0.00 175.29 175.51 3tgi s VAL 31 N -0.27 1.29 -0.08 1.34 -7.23 -0.76 -4.49 120.40 110.20 3tgi s VAL 31 Ca 0.50 -2.09 0.03 0.00 -1.81 0.00 0.00 61.98 58.61 3tgi s VAL 31 Cb -0.31 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 3tgi s VAL 31 CO 0.36 -0.59 -0.17 -0.55 -0.31 0.00 0.00 175.10 173.84 3tgi s SER 32 N -3.25 3.70 -0.23 4.85 0.15 -0.68 -2.24 113.70 116.01 3tgi s SER 32 Ca 0.21 -0.35 -0.14 0.00 0.70 0.00 0.00 55.95 56.38 3tgi s SER 32 Cb 0.03 -1.16 -0.04 0.00 -1.71 0.00 0.00 66.02 63.13 3tgi s SER 32 CO 0.04 0.24 0.30 -0.76 1.20 0.00 0.00 173.24 174.27 3tgi s LEU 33 N -0.11 4.12 -0.05 3.45 1.02 0.19 -0.97 118.68 126.33 3tgi s LEU 33 Ca -0.03 0.32 0.03 0.00 0.02 0.00 0.00 54.13 54.47 3tgi s LEU 33 Cb -0.14 -2.34 0.00 0.00 0.02 0.00 0.00 46.19 43.73 3tgi s LEU 33 CO 0.04 -0.04 -0.13 0.21 0.02 0.00 0.00 176.35 176.45 3tgi s ASN 34 N 1.14 1.72 -0.07 2.29 3.84 0.05 -1.91 114.94 122.01 3tgi s ASN 34 Ca 0.14 -0.28 0.11 0.00 0.21 0.00 0.00 52.86 53.04 3tgi s ASN 34 Cb -0.14 -0.60 0.21 0.00 -0.55 0.00 0.00 41.25 40.17 3tgi s ASN 34 CO 0.07 0.08 1.10 -0.24 -2.79 0.00 0.00 177.10 175.32 3tgi n SER 37 N 3.44 1.10 0.00 -4.21 2.88 -1.26 -0.68 113.62 114.89 3tgi n SER 37 Ca -0.20 -2.57 0.00 0.00 -1.33 0.00 0.00 58.87 54.77 3tgi n SER 37 Cb 0.53 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 3tgi n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3tgi n GLY 38 N -0.51 2.75 3.28 0.46 0.00 -1.26 -5.06 105.19 104.86 3tgi n GLY 38 Ca 0.08 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 3tgi n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3tgi s TYR 39 N 0.00 -0.04 0.06 1.61 -0.85 -1.26 -5.13 117.35 111.74 3tgi s TYR 39 Ca 0.00 -0.32 -0.31 0.00 -0.52 0.00 0.00 57.07 55.92 3tgi s TYR 39 Cb 0.00 0.13 -0.08 0.00 0.38 0.00 0.00 41.96 42.40 3tgi s TYR 39 CO 0.00 -0.65 1.56 -1.58 -1.52 0.00 0.00 175.55 173.36 3tgi s HIS 40 N -3.84 2.64 0.00 -3.49 5.65 -1.26 -4.43 115.29 110.56 3tgi s HIS 40 Ca 0.05 0.51 0.00 0.00 0.25 0.00 0.00 55.06 55.87 3tgi s HIS 40 Cb 0.03 -3.87 0.00 0.00 -1.18 0.00 0.00 32.58 27.56 3tgi s HIS 40 CO -0.11 -3.37 0.00 1.97 -0.65 0.00 0.00 174.74 172.58 3tgi n PHE 41 N 5.29 0.00 -3.67 3.88 -1.74 -0.80 -5.03 117.46 115.39 3tgi n PHE 41 Ca 0.15 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.94 3tgi n PHE 41 Cb 0.41 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.39 3tgi n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3tgi n GLY 43 N -0.42 2.74 3.84 0.00 0.00 0.22 -0.64 105.19 110.94 3tgi n GLY 43 Ca -0.10 -2.26 -0.00 0.00 0.00 0.00 0.00 46.02 43.66 3tgi n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3tgi s GLY 44 N -3.59 -0.12 -0.03 -0.02 0.00 -0.95 -3.90 107.32 98.71 3tgi s GLY 44 Ca 0.25 0.06 0.02 0.00 0.00 0.00 0.00 44.72 45.05 3tgi s GLY 44 CO 0.16 2.66 -0.06 -0.56 0.00 0.00 0.00 173.10 175.30 3tgi s SER 45 N -3.39 0.91 -0.31 1.64 0.01 -0.30 -1.83 113.70 110.43 3tgi s SER 45 Ca 0.21 -0.13 -0.26 0.00 1.31 0.00 0.00 55.95 57.08 3tgi s SER 45 Cb -0.00 -0.31 0.01 0.00 0.21 0.00 0.00 66.02 65.93 3tgi s SER 45 CO 0.01 0.01 0.94 -0.22 0.41 0.00 0.00 173.24 174.39 3tgi s LEU 46 N 0.44 4.01 -0.02 2.44 2.96 -0.43 -0.82 118.68 127.27 3tgi s LEU 46 Ca -0.06 0.87 0.22 0.00 -0.22 0.00 0.00 54.13 54.94 3tgi s LEU 46 Cb -0.10 -3.32 -0.30 0.00 0.50 0.00 0.00 46.19 42.97 3tgi s LEU 46 CO 0.00 -0.76 0.62 2.30 -1.32 0.00 0.00 176.35 177.20 3tgi n ILE 47 N 5.71 0.00 -3.53 6.68 -5.35 -0.81 -1.15 119.36 120.91 3tgi n ILE 47 Ca 0.08 -0.34 -0.09 0.00 -0.27 0.00 0.00 62.75 62.14 3tgi n ILE 47 Cb 0.47 0.32 -0.02 0.00 -1.74 0.00 0.00 39.64 38.67 3tgi n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3tgi s ASN 48 N -4.03 -0.38 0.05 7.28 2.20 -1.20 -4.56 114.94 114.29 3tgi s ASN 48 Ca -0.03 -0.07 0.01 0.00 -0.94 0.00 0.00 52.86 51.84 3tgi s ASN 48 Cb 0.15 0.46 0.07 0.00 -2.00 0.00 0.00 41.25 39.92 3tgi s ASN 48 CO 0.90 -0.75 0.76 -0.90 -2.94 0.00 0.00 177.10 174.16 3tgi n ASP 49 N -0.31 0.03 0.00 3.54 5.75 -1.26 -1.87 116.55 122.43 3tgi n ASP 49 Ca -0.10 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 3tgi n ASP 49 Cb 0.62 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 3tgi n ASP 49 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3tgi n GLN 50 N -1.31 -0.35 -4.26 0.11 6.02 -1.26 -1.19 117.38 115.14 3tgi n GLN 50 Ca -0.00 -0.19 -0.17 0.00 -0.01 0.00 0.00 57.00 56.63 3tgi n GLN 50 Cb 0.32 -0.69 -0.14 0.00 1.02 0.00 0.00 30.24 30.75 3tgi n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3tgi s TRP 51 N -0.00 0.69 0.01 1.08 0.52 -0.78 -0.54 118.94 119.92 3tgi s TRP 51 Ca 0.00 -0.18 0.07 0.00 0.02 0.00 0.00 56.10 56.01 3tgi s TRP 51 Cb 0.00 -0.44 -0.02 0.00 -1.15 0.00 0.00 33.47 31.86 3tgi s TRP 51 CO 0.00 -0.02 -0.21 0.08 0.02 0.00 0.00 176.95 176.83 3tgi s VAL 52 N -0.34 1.64 -0.04 4.03 1.01 0.17 -1.92 120.40 124.95 3tgi s VAL 52 Ca 0.01 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.99 3tgi s VAL 52 Cb -0.04 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3tgi s VAL 52 CO -0.00 0.34 -0.08 0.54 0.00 0.00 0.00 175.10 175.90 3tgi s VAL 53 N -0.63 3.60 0.00 2.92 0.11 -0.00 -0.22 120.40 126.17 3tgi s VAL 53 Ca 0.08 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 3tgi s VAL 53 Cb -0.08 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.27 3tgi s VAL 53 CO 0.00 0.52 0.00 -0.24 -3.33 0.00 0.00 175.10 172.06 3tgi n SER 54 N 1.99 0.00 -4.86 3.54 2.88 0.10 -1.15 113.62 116.12 3tgi n SER 54 Ca -0.17 -0.59 -0.36 0.00 -1.33 0.00 0.00 58.87 56.42 3tgi n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 3tgi n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3tgi s ALA 55 N -1.51 3.76 0.40 -1.46 0.00 -1.26 -0.99 121.76 120.69 3tgi s ALA 55 Ca 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 51.65 3tgi s ALA 55 Cb 0.00 -2.24 0.82 0.00 0.00 0.00 0.00 23.12 21.71 3tgi s ALA 55 CO 0.00 0.56 1.98 0.00 0.00 0.00 0.00 175.76 178.30 3tgi h ALA 56 N 4.33 1.60 0.00 0.00 0.00 -1.72 -1.52 119.26 121.95 3tgi h ALA 56 Ca -0.51 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3tgi h ALA 56 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3tgi h ALA 56 CO 0.63 0.30 0.00 -2.39 0.00 0.00 0.00 179.25 177.80 3tgi n HIS 57 N -4.38 0.00 0.90 0.00 1.44 -1.26 -1.54 115.22 110.38 3tgi n HIS 57 Ca 0.01 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.83 3tgi n HIS 57 Cb 0.17 0.00 0.30 0.00 0.12 0.00 0.00 29.99 30.58 3tgi n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3tgi n TYR 59 N 0.82 1.99 -3.70 0.00 9.36 -0.59 -5.01 117.16 120.03 3tgi n TYR 59 Ca 0.17 0.56 -0.14 0.00 3.32 0.00 0.00 57.90 61.82 3tgi n TYR 59 Cb 0.45 -2.38 -0.09 0.00 -0.63 0.00 0.00 39.34 36.69 3tgi n TYR 59 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 3tgi s LYS 60 N -1.41 0.68 0.24 2.98 2.47 -1.26 -5.06 119.74 118.37 3tgi s LYS 60 Ca 0.60 0.29 -0.04 0.00 -1.56 0.00 0.00 55.97 55.25 3tgi s LYS 60 Cb -0.63 0.32 0.25 0.00 -1.46 0.00 0.00 37.83 36.31 3tgi s LYS 60 CO 0.58 -0.15 1.74 0.66 0.16 0.00 0.00 175.35 178.34 3tgi h SER 61 N 4.46 0.88 -3.16 1.43 4.64 -2.03 -3.41 113.55 116.37 3tgi h SER 61 Ca -0.28 -0.21 -0.67 0.00 -0.47 0.00 0.00 61.79 60.16 3tgi h SER 61 Cb 1.17 -0.23 -0.34 0.00 -0.31 0.00 0.00 62.40 62.69 3tgi h SER 61 CO 0.31 0.91 -0.85 -0.13 -0.87 0.00 0.00 176.83 176.20 3tgi s ARG 62 N -5.10 3.05 -0.03 4.77 0.52 -1.26 -5.03 118.95 115.87 3tgi s ARG 62 Ca -0.10 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.29 3tgi s ARG 62 Cb 0.15 -2.55 0.02 0.00 0.52 0.00 0.00 34.95 33.09 3tgi s ARG 62 CO 0.83 -0.10 -0.00 0.42 0.02 0.00 0.00 175.30 176.46 3tgi s ILE 63 N 1.05 0.18 -0.15 1.52 1.01 -1.26 -4.73 121.20 118.81 3tgi s ILE 63 Ca -0.01 0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 3tgi s ILE 63 Cb -0.14 -0.26 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 3tgi s ILE 63 CO -0.07 0.13 0.01 -1.58 0.00 0.00 0.00 174.94 173.44 3tgi s GLN 64 N 0.88 3.66 -0.20 2.79 0.74 0.15 -0.87 119.66 126.80 3tgi s GLN 64 Ca -0.09 -0.42 -0.10 0.00 0.05 0.00 0.00 55.36 54.80 3tgi s GLN 64 Cb -0.12 -3.02 -0.05 0.00 1.10 0.00 0.00 33.01 30.92 3tgi s GLN 64 CO -0.02 0.35 0.14 0.08 -0.55 0.00 0.00 175.29 175.30 3tgi s VAL 66 N 0.10 5.40 -0.23 1.34 1.01 0.36 -0.77 120.40 127.61 3tgi s VAL 66 Ca 0.02 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 3tgi s VAL 66 Cb -0.13 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.78 3tgi s VAL 66 CO 0.02 0.42 -0.06 -0.13 0.00 0.00 0.00 175.10 175.35 3tgi s ARG 67 N 0.48 3.13 0.31 2.72 0.52 -0.15 -0.42 118.95 125.54 3tgi s ARG 67 Ca 0.08 -0.79 0.09 0.00 -0.52 0.00 0.00 55.73 54.59 3tgi s ARG 67 Cb -0.11 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 3tgi s ARG 67 CO -0.01 -0.29 0.09 -0.51 0.02 0.00 0.00 175.30 174.61 3tgi s LEU 68 N 1.41 3.26 -0.62 2.53 1.02 0.60 -1.69 118.68 125.19 3tgi s LEU 68 Ca 0.04 -0.71 0.00 0.00 0.02 0.00 0.00 54.13 53.48 3tgi s LEU 68 Cb -0.15 -1.75 0.00 0.00 0.02 0.00 0.00 46.19 44.31 3tgi s LEU 68 CO -0.04 -0.18 0.00 0.61 0.02 0.00 0.00 176.35 176.75 3tgi n GLY 69 N -1.06 0.82 3.83 -3.19 0.00 -1.26 -0.95 105.19 103.37 3tgi n GLY 69 Ca -0.04 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 3tgi n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3tgi s GLU 70 N -2.19 4.13 0.22 1.61 0.41 -1.26 -4.05 118.70 117.58 3tgi s GLU 70 Ca 0.00 0.91 0.00 0.00 -0.41 0.00 0.00 54.97 55.47 3tgi s GLU 70 Cb 0.00 -2.32 0.00 0.00 -1.78 0.00 0.00 34.13 30.03 3tgi s GLU 70 CO 0.00 0.07 0.00 1.58 -0.49 0.00 0.00 175.26 176.42 3tgi n HIS 71 N -0.46 -1.86 -3.35 1.61 -0.00 -1.26 -4.75 115.22 105.15 3tgi n HIS 71 Ca 0.05 0.33 -0.44 0.00 -0.00 0.00 0.00 57.72 57.66 3tgi n HIS 71 Cb 0.53 0.50 -0.08 0.00 -0.00 0.00 0.00 29.99 30.95 3tgi n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3tgi s ASN 72 N -4.93 6.16 0.31 0.26 3.84 -1.26 -2.02 114.94 117.29 3tgi s ASN 72 Ca 0.00 -1.17 0.24 0.00 0.21 0.00 0.00 52.86 52.14 3tgi s ASN 72 Cb 0.00 -2.20 1.10 0.00 -0.55 0.00 0.00 41.25 39.60 3tgi s ASN 72 CO 0.00 -0.67 1.73 -0.29 -2.79 0.00 0.00 177.10 175.08 3tgi h ILE 73 N 5.76 0.00 -0.21 -5.21 6.09 -1.59 -3.02 117.51 119.32 3tgi h ILE 73 Ca -0.28 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 3tgi h ILE 73 Cb 1.11 0.84 0.00 0.00 0.47 0.00 0.00 36.82 39.24 3tgi h ILE 73 CO 0.87 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 176.54 3tgi n ASN 74 N -2.31 2.70 -3.99 2.19 3.02 -1.26 -4.96 115.26 110.64 3tgi n ASN 74 Ca 0.01 -1.79 -0.19 0.00 -0.03 0.00 0.00 54.58 52.57 3tgi n ASN 74 Cb 0.17 -0.13 -0.15 0.00 -0.61 0.00 0.00 39.78 39.05 3tgi n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3tgi s VAL 75 N -1.16 0.70 -0.43 2.41 1.01 -1.14 -5.10 120.40 116.69 3tgi s VAL 75 Ca 0.24 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 3tgi s VAL 75 Cb 0.14 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.92 3tgi s VAL 75 CO 0.20 0.22 1.23 -0.22 0.00 0.00 0.00 175.10 176.53 3tgi s LEU 76 N 0.15 3.67 -0.05 3.92 2.96 -1.26 -4.77 118.68 123.30 3tgi s LEU 76 Ca -0.02 0.70 0.18 0.00 -0.22 0.00 0.00 54.13 54.77 3tgi s LEU 76 Cb -0.07 -3.55 -0.22 0.00 0.50 0.00 0.00 46.19 42.85 3tgi s LEU 76 CO 0.00 -1.26 0.48 -0.62 -1.32 0.00 0.00 176.35 173.63 3tgi n GLU 77 N 7.78 0.65 0.00 1.98 1.02 -1.26 -5.02 120.64 125.79 3tgi n GLU 77 Ca 0.14 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3tgi n GLU 77 Cb 0.48 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3tgi n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3tgi n GLY 78 N 1.50 1.67 0.29 0.62 0.00 -1.26 -4.93 105.19 103.07 3tgi n GLY 78 Ca -0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.95 3tgi n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3tgi n ASN 79 N 0.00 1.58 -4.78 1.61 3.02 -1.26 -5.00 115.26 110.43 3tgi n ASN 79 Ca 0.00 -1.29 -0.35 0.00 -0.03 0.00 0.00 54.58 52.91 3tgi n ASN 79 Cb 0.00 0.69 0.00 0.00 -0.61 0.00 0.00 39.78 39.86 3tgi n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3tgi s GLU 80 N -2.61 3.34 -0.07 3.52 8.01 -1.26 -4.53 118.70 125.09 3tgi s GLU 80 Ca 0.14 1.55 0.01 0.00 0.01 0.00 0.00 54.97 56.68 3tgi s GLU 80 Cb 0.17 -2.01 0.02 0.00 -4.31 0.00 0.00 34.13 27.99 3tgi s GLU 80 CO 0.67 -0.85 -0.09 -0.65 0.01 0.00 0.00 175.26 174.34 3tgi s GLN 81 N -3.40 1.44 -0.21 1.61 -0.21 -0.13 -4.97 119.66 113.79 3tgi s GLN 81 Ca 0.71 -0.30 -0.04 0.00 0.02 0.00 0.00 55.36 55.75 3tgi s GLN 81 Cb -0.22 -1.30 -0.02 0.00 1.00 0.00 0.00 33.01 32.47 3tgi s GLN 81 CO 0.28 -0.06 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.30 3tgi s PHE 82 N 0.96 2.99 -0.01 0.91 0.40 -1.26 -0.29 117.98 121.67 3tgi s PHE 82 Ca -0.09 -0.70 0.01 0.00 -0.60 0.00 0.00 56.93 55.55 3tgi s PHE 82 Cb -0.15 -2.09 0.01 0.00 0.51 0.00 0.00 43.02 41.30 3tgi s PHE 82 CO 0.00 -0.40 -0.03 0.08 0.70 0.00 0.00 175.22 175.58 3tgi s VAL 83 N 1.24 0.28 0.29 -0.44 1.01 0.44 -4.97 120.40 118.24 3tgi s VAL 83 Ca 0.03 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 3tgi s VAL 83 Cb -0.14 -0.28 -0.09 0.00 0.00 0.00 0.00 36.38 35.87 3tgi s VAL 83 CO -0.00 0.11 0.76 0.20 0.00 0.00 0.00 175.10 176.16 3tgi s ASN 84 N 0.32 6.92 0.17 3.32 -0.87 -1.26 0.14 114.94 123.68 3tgi s ASN 84 Ca -0.03 1.39 -0.30 0.00 -1.57 0.00 0.00 52.86 52.35 3tgi s ASN 84 Cb -0.06 -2.41 -0.07 0.00 -0.02 0.00 0.00 41.25 38.68 3tgi s ASN 84 CO -0.01 -0.12 1.07 0.00 -2.57 0.00 0.00 177.10 175.48 3tgi s ALA 85 N -1.80 3.35 -0.20 0.60 0.00 -0.05 -0.72 121.76 122.94 3tgi s ALA 85 Ca 0.50 0.77 0.13 0.00 0.00 0.00 0.00 51.96 53.36 3tgi s ALA 85 Cb -0.13 -3.33 -0.22 0.00 0.00 0.00 0.00 23.12 19.44 3tgi s ALA 85 CO 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 175.76 175.80 3tgi n ALA 86 N 2.35 1.52 -3.35 0.00 0.00 0.15 -4.76 120.51 116.41 3tgi n ALA 86 Ca 0.02 -1.21 -0.14 0.00 0.00 0.00 0.00 53.44 52.11 3tgi n ALA 86 Cb 0.47 -0.13 -0.15 0.00 0.00 0.00 0.00 19.45 19.63 3tgi n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3tgi s LYS 87 N -2.47 0.09 -0.21 0.00 1.02 -0.98 -4.98 119.74 112.21 3tgi s LYS 87 Ca -0.15 0.06 0.01 0.00 0.02 0.00 0.00 55.97 55.91 3tgi s LYS 87 Cb 0.06 -0.23 0.05 0.00 -0.52 0.00 0.00 37.83 37.20 3tgi s LYS 87 CO 0.73 -0.08 -0.07 0.42 -0.92 0.00 0.00 175.35 175.43 3tgi s ILE 88 N 0.57 1.51 -0.25 2.17 1.01 -1.26 -0.52 121.20 124.44 3tgi s ILE 88 Ca -0.05 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.57 3tgi s ILE 88 Cb -0.08 -1.69 0.06 0.00 0.01 0.00 0.00 42.46 40.76 3tgi s ILE 88 CO -0.01 0.04 -0.11 -0.63 0.00 0.00 0.00 174.94 174.23 3tgi s ILE 89 N 1.43 2.06 0.40 2.92 1.01 0.45 -4.99 121.20 124.47 3tgi s ILE 89 Ca -0.03 -1.50 -0.06 0.00 0.00 0.00 0.00 60.65 59.06 3tgi s ILE 89 Cb -0.17 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 3tgi s ILE 89 CO -0.07 0.02 0.70 -0.54 0.00 0.00 0.00 174.94 175.05 3tgi s LYS 90 N 1.16 3.63 0.29 2.79 1.02 -1.26 0.15 119.74 127.53 3tgi s LYS 90 Ca -0.07 0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.81 3tgi s LYS 90 Cb -0.19 -2.48 -0.11 0.00 -0.52 0.00 0.00 37.83 34.53 3tgi s LYS 90 CO -0.06 -0.01 1.54 -1.58 -0.92 0.00 0.00 175.35 174.32 3tgi s HIS 91 N -2.42 2.80 0.55 3.18 5.65 -0.69 -4.87 115.29 119.49 3tgi s HIS 91 Ca 0.47 0.90 0.40 0.00 0.25 0.00 0.00 55.06 57.09 3tgi s HIS 91 Cb -0.10 -4.00 2.15 0.00 -1.18 0.00 0.00 32.58 29.45 3tgi s HIS 91 CO 0.36 -3.26 2.28 -1.00 -0.65 0.00 0.00 174.74 172.48 3tgi h PRO 92 N 4.62 0.00 -0.49 2.88 0.13 -1.92 -2.45 132.00 134.77 3tgi h PRO 92 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3tgi h PRO 92 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3tgi h PRO 92 CO 0.77 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.64 3tgi n ASN 93 N -3.19 4.54 -4.74 1.44 5.03 -1.26 -5.00 115.26 112.07 3tgi n ASN 93 Ca -0.02 -2.67 -0.42 0.00 0.87 0.00 0.00 54.58 52.34 3tgi n ASN 93 Cb 0.12 -0.55 -0.02 0.00 -1.02 0.00 0.00 39.78 38.31 3tgi n ASN 93 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3tgi s PHE 94 N -2.24 2.91 -0.22 3.10 5.36 -0.92 -4.68 117.98 121.29 3tgi s PHE 94 Ca 0.46 0.82 -0.01 0.00 -0.96 0.00 0.00 56.93 57.25 3tgi s PHE 94 Cb 0.33 -3.96 0.02 0.00 -0.34 0.00 0.00 43.02 39.07 3tgi s PHE 94 CO 0.17 -3.27 -0.11 0.34 -1.46 0.00 0.00 175.22 170.89 3tgi s ASP 95 N 0.58 3.94 0.12 6.13 -1.08 -0.96 -4.99 116.67 120.41 3tgi s ASP 95 Ca 0.64 -0.79 0.20 0.00 -0.52 0.00 0.00 52.55 52.08 3tgi s ASP 95 Cb -0.45 -1.60 0.82 0.00 -1.46 0.00 0.00 42.92 40.22 3tgi s ASP 95 CO 0.43 -0.08 1.61 0.54 0.52 0.00 0.00 175.17 178.19 3tgi n ARG 96 N 4.65 0.10 -0.11 4.34 1.74 -1.26 -0.20 116.66 125.92 3tgi n ARG 96 Ca -0.18 0.32 -0.25 0.00 -0.77 0.00 0.00 57.85 56.97 3tgi n ARG 96 Cb 0.48 -1.68 -0.11 0.00 -1.02 0.00 0.00 32.46 30.13 3tgi n ARG 96 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3tgi n LYS 97 N -1.86 0.61 0.05 5.56 4.81 -1.26 -4.55 118.16 121.51 3tgi n LYS 97 Ca 0.03 0.36 0.11 0.00 -0.87 0.00 0.00 58.31 57.95 3tgi n LYS 97 Cb 0.21 -1.61 0.01 0.00 0.02 0.00 0.00 35.03 33.67 3tgi n LYS 97 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3tgi n THR 98 N -4.12 0.33 -1.23 3.15 -2.24 -1.23 -4.97 114.28 103.97 3tgi n THR 98 Ca -0.43 -0.39 -0.08 0.00 -2.27 0.00 0.00 64.05 60.88 3tgi n THR 98 Cb 0.84 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 3tgi n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3tgi n LEU 99 N -2.27 -0.44 -4.76 3.22 4.77 0.72 -4.99 117.00 113.25 3tgi n LEU 99 Ca 0.01 0.20 -0.40 0.00 -0.03 0.00 0.00 56.01 55.78 3tgi n LEU 99 Cb 0.49 -1.67 -0.03 0.00 -2.33 0.00 0.00 43.42 39.88 3tgi n LEU 99 CO 0.40 -0.55 0.87 0.21 -1.33 0.00 0.00 177.39 176.99 3tgi s ASN 100 N -2.65 7.05 -1.14 -1.43 2.47 -1.25 -3.16 114.94 114.84 3tgi s ASN 100 Ca 0.00 2.45 -0.05 0.00 0.42 0.00 0.00 52.86 55.68 3tgi s ASN 100 Cb 0.00 -2.64 0.01 0.00 -1.45 0.00 0.00 41.25 37.17 3tgi s ASN 100 CO 0.00 -0.31 0.98 0.59 -3.72 0.00 0.00 177.10 174.63 3tgi n ASN 101 N 1.02 -4.43 -4.32 -4.21 5.03 -1.26 -2.27 115.26 104.80 3tgi n ASN 101 Ca -0.01 -0.50 -0.43 0.00 0.87 0.00 0.00 54.58 54.52 3tgi n ASN 101 Cb 0.43 -4.49 0.00 0.00 -1.02 0.00 0.00 39.78 34.70 3tgi n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3tgi n ASP 102 N -2.60 4.82 -3.79 6.41 2.03 -1.19 -4.23 116.55 117.99 3tgi n ASP 102 Ca -0.09 -2.94 -0.13 0.00 0.52 0.00 0.00 54.79 52.16 3tgi n ASP 102 Cb 0.59 -1.67 -0.10 0.00 -0.72 0.00 0.00 41.12 39.22 3tgi n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3tgi s ILE 103 N 3.06 0.04 -0.12 5.18 2.07 -1.26 -3.97 121.20 126.20 3tgi s ILE 103 Ca 0.49 -0.32 -0.12 0.00 -1.41 0.00 0.00 60.65 59.29 3tgi s ILE 103 Cb 0.05 -0.48 0.03 0.00 0.13 0.00 0.00 42.46 42.19 3tgi s ILE 103 CO 0.02 -0.18 0.34 -0.32 -1.91 0.00 0.00 174.94 172.89 3tgi s MET 104 N -0.71 0.42 -0.06 3.50 -2.45 -0.17 -1.71 119.30 118.12 3tgi s MET 104 Ca -0.08 0.41 -0.02 0.00 -1.25 0.00 0.00 55.69 54.75 3tgi s MET 104 Cb -0.04 0.20 -0.04 0.00 1.25 0.00 0.00 34.83 36.20 3tgi s MET 104 CO 0.02 -0.06 0.05 -0.51 1.05 0.00 0.00 175.02 175.57 3tgi s LEU 105 N 0.05 3.83 -0.11 4.11 1.43 0.12 -0.72 118.68 127.39 3tgi s LEU 105 Ca -0.01 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 3tgi s LEU 105 Cb -0.03 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.20 3tgi s LEU 105 CO 0.01 0.35 -0.12 -0.63 0.23 0.00 0.00 176.35 176.18 3tgi s ILE 106 N -1.01 1.32 -0.20 -0.59 1.01 0.69 -0.41 121.20 122.00 3tgi s ILE 106 Ca 0.17 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 60.19 3tgi s ILE 106 Cb -0.12 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 3tgi s ILE 106 CO 0.06 0.41 0.22 -0.75 0.00 0.00 0.00 174.94 174.89 3tgi s LYS 107 N 1.27 4.17 0.61 2.79 2.20 0.32 -0.65 119.74 130.45 3tgi s LYS 107 Ca -0.02 -0.09 -0.15 0.00 -0.36 0.00 0.00 55.97 55.36 3tgi s LYS 107 Cb -0.14 -3.47 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 3tgi s LYS 107 CO -0.05 0.17 1.05 -0.51 -0.36 0.00 0.00 175.35 175.65 3tgi s LEU 108 N 0.72 3.42 0.36 5.43 1.43 0.29 0.34 118.68 130.68 3tgi s LEU 108 Ca 0.12 1.75 0.05 0.00 -1.03 0.00 0.00 54.13 55.01 3tgi s LEU 108 Cb -0.13 -4.52 0.69 0.00 0.03 0.00 0.00 46.19 42.26 3tgi s LEU 108 CO 0.03 -1.18 1.95 0.28 0.23 0.00 0.00 176.35 177.66 3tgi h SER 109 N 0.20 0.52 -5.05 2.29 0.02 -1.22 -3.41 113.55 106.90 3tgi h SER 109 Ca -0.46 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.33 3tgi h SER 109 Cb 1.21 -0.13 -0.17 0.00 0.14 0.00 0.00 62.40 63.45 3tgi h SER 109 CO 0.58 0.49 -0.26 -0.94 -1.14 0.00 0.00 176.83 175.55 3tgi s SER 110 N -6.69 -0.12 0.52 3.07 1.04 -1.26 -5.00 113.70 105.25 3tgi s SER 110 Ca -0.08 -0.18 -0.22 0.00 0.48 0.00 0.00 55.95 55.95 3tgi s SER 110 Cb 0.16 0.35 -0.06 0.00 0.10 0.00 0.00 66.02 66.57 3tgi s SER 110 CO 0.75 -0.59 1.29 -2.84 0.98 0.00 0.00 173.24 172.83 3tgi s PRO 111 N -2.42 3.36 0.47 4.02 0.02 -1.26 -4.87 135.00 134.32 3tgi s PRO 111 Ca -0.06 2.07 -0.04 0.00 0.02 0.00 0.00 61.00 62.99 3tgi s PRO 111 Cb -0.01 -2.31 -0.02 0.00 0.02 0.00 0.00 34.50 32.17 3tgi s PRO 111 CO -0.03 -0.96 0.75 0.14 -0.33 0.00 0.00 177.00 176.57 3tgi s VAL 112 N -1.39 4.63 -0.34 3.83 -7.23 -0.33 -5.02 120.40 114.55 3tgi s VAL 112 Ca 0.69 -0.03 -0.22 0.00 -1.81 0.00 0.00 61.98 60.61 3tgi s VAL 112 Cb -0.36 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 32.83 3tgi s VAL 112 CO 0.43 -0.68 0.71 -0.54 -0.31 0.00 0.00 175.10 174.72 3tgi s LYS 113 N -4.69 3.80 0.03 4.82 1.02 -1.26 -4.92 119.74 118.55 3tgi s LYS 113 Ca 0.47 0.29 -0.27 0.00 0.02 0.00 0.00 55.97 56.48 3tgi s LYS 113 Cb -0.10 -3.78 -0.05 0.00 -0.52 0.00 0.00 37.83 33.38 3tgi s LYS 113 CO 0.43 -0.73 0.85 -0.51 -0.92 0.00 0.00 175.35 174.47 3tgi s LEU 114 N 2.86 4.42 0.00 3.17 1.43 -1.26 -4.81 118.68 124.49 3tgi s LEU 114 Ca 0.28 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 3tgi s LEU 114 Cb -0.14 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.72 3tgi s LEU 114 CO 0.14 -0.08 0.00 -0.46 0.23 0.00 0.00 176.35 176.18 3tgi n ASN 115 N 3.18 0.00 -0.36 2.29 0.23 0.12 -4.98 115.26 115.73 3tgi n ASN 115 Ca 0.01 -0.63 -0.00 0.00 -0.53 0.00 0.00 54.58 53.42 3tgi n ASN 115 Cb 0.50 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.35 3tgi n ASN 115 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3tgi h ALA 116 N 1.73 1.33 0.00 -2.53 0.00 -1.98 -2.45 119.26 115.36 3tgi h ALA 116 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3tgi h ALA 116 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3tgi h ALA 116 CO 0.00 0.59 -0.42 0.07 0.00 0.00 0.00 179.25 179.49 3tgi h ARG 117 N 1.28 0.00 -3.81 0.00 -0.00 -1.93 -3.43 114.38 106.49 3tgi h ARG 117 Ca 0.38 0.00 -0.57 0.00 -0.00 0.00 0.00 59.98 59.79 3tgi h ARG 117 Cb -0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 29.97 29.51 3tgi h ARG 117 CO -0.10 0.00 -0.77 0.08 -0.00 0.00 0.00 179.97 179.18 3tgi s VAL 118 N -3.21 0.98 0.15 0.08 1.01 -0.92 -4.15 120.40 114.34 3tgi s VAL 118 Ca 0.06 -1.08 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 3tgi s VAL 118 Cb 0.10 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3tgi s VAL 118 CO 0.70 -0.35 0.05 0.00 0.00 0.00 0.00 175.10 175.50 3tgi s ALA 119 N 1.62 1.03 0.38 5.51 0.00 -0.93 0.11 121.76 129.48 3tgi s ALA 119 Ca 0.02 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.44 3tgi s ALA 119 Cb -0.18 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 3tgi s ALA 119 CO -0.13 -0.46 0.59 0.95 0.00 0.00 0.00 175.76 176.71 3tgi s THR 120 N -3.97 4.74 -0.03 0.00 -4.23 -1.26 -3.23 115.64 107.66 3tgi s THR 120 Ca 0.26 -0.47 0.06 0.00 -1.18 0.00 0.00 61.69 60.37 3tgi s THR 120 Cb 0.07 -3.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.16 3tgi s THR 120 CO 0.04 -0.49 -0.22 0.54 -0.54 0.00 0.00 174.62 173.95 3tgi s VAL 121 N -2.40 2.39 0.34 2.29 0.11 -0.30 -4.83 120.40 118.00 3tgi s VAL 121 Ca 0.43 -0.98 -0.27 0.00 -2.93 0.00 0.00 61.98 58.23 3tgi s VAL 121 Cb -0.10 -1.87 -0.09 0.00 -1.53 0.00 0.00 36.38 32.79 3tgi s VAL 121 CO 0.37 0.58 1.10 0.00 -3.33 0.00 0.00 175.10 173.82 3tgi s ALA 122 N -0.62 3.27 0.57 1.54 0.00 -1.25 -4.57 121.76 120.71 3tgi s ALA 122 Ca 0.10 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 52.77 3tgi s ALA 122 Cb -0.10 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 3tgi s ALA 122 CO -0.00 -0.25 1.03 -0.51 0.00 0.00 0.00 175.76 176.02 3tgi s LEU 123 N -1.99 3.50 0.45 0.00 1.43 -1.26 -0.86 118.68 119.95 3tgi s LEU 123 Ca 0.51 1.68 -0.25 0.00 -1.03 0.00 0.00 54.13 55.03 3tgi s LEU 123 Cb -0.29 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 41.33 3tgi s LEU 123 CO 0.37 -0.94 1.43 -2.16 0.23 0.00 0.00 176.35 175.27 3tgi s PRO 124 N -4.23 3.71 0.26 1.29 0.04 -1.25 -4.72 135.00 130.10 3tgi s PRO 124 Ca 0.61 2.42 0.18 0.00 0.04 0.00 0.00 61.00 64.25 3tgi s PRO 124 Cb -0.13 -2.67 0.07 0.00 0.04 0.00 0.00 34.50 31.81 3tgi s PRO 124 CO 0.37 -0.80 1.29 0.77 0.04 0.00 0.00 177.00 178.67 3tgi h SER 125 N 2.36 0.00 -5.78 6.66 0.02 -1.95 -3.48 113.55 111.38 3tgi h SER 125 Ca -0.51 0.00 0.32 0.00 -0.84 0.00 0.00 61.79 60.76 3tgi h SER 125 Cb 1.26 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.72 3tgi h SER 125 CO 0.61 0.32 0.85 -0.94 -1.14 0.00 0.00 176.83 176.53 3tgi s SER 127 N -6.08 -0.02 -0.11 3.07 1.04 -1.26 -5.13 113.70 105.20 3tgi s SER 127 Ca 0.02 -0.21 -0.30 0.00 0.48 0.00 0.00 55.95 55.95 3tgi s SER 127 Cb 0.08 0.18 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 3tgi s SER 127 CO 0.75 -0.35 1.12 0.00 0.98 0.00 0.00 173.24 175.74 3tgi s ALA 129 N 2.46 3.44 0.71 0.00 0.00 -1.26 -5.02 121.76 122.09 3tgi s ALA 129 Ca 0.51 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 53.39 3tgi s ALA 129 Cb -0.21 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.54 3tgi s ALA 129 CO 0.17 -0.34 1.07 -1.25 0.00 0.00 0.00 175.76 175.41 3tgi s PRO 130 N -1.46 2.84 0.50 0.00 0.04 -1.26 -4.98 135.00 130.68 3tgi s PRO 130 Ca 0.47 0.84 -0.23 0.00 0.04 0.00 0.00 61.00 62.11 3tgi s PRO 130 Cb -0.35 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.14 3tgi s PRO 130 CO 0.45 -1.14 1.38 0.00 0.04 0.00 0.00 177.00 177.72 3tgi n ALA 132 N -3.14 1.72 0.00 8.56 0.00 -1.26 -2.41 120.51 123.99 3tgi n ALA 132 Ca 0.07 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3tgi n ALA 132 Cb 0.54 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3tgi n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3tgi n GLY 133 N 0.70 1.30 3.72 0.00 0.00 0.04 -4.96 105.19 105.99 3tgi n GLY 133 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3tgi n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3tgi s THR 134 N -2.33 3.34 0.15 2.61 2.01 -1.01 -4.70 115.64 115.71 3tgi s THR 134 Ca 0.00 1.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.70 3tgi s THR 134 Cb 0.00 -3.64 -0.07 0.00 0.01 0.00 0.00 72.50 68.80 3tgi s THR 134 CO 0.00 0.10 0.98 -1.10 -0.69 0.00 0.00 174.62 173.91 3tgi s GLN 135 N 0.72 4.72 0.29 4.92 -1.52 -1.26 -1.11 119.66 126.42 3tgi s GLN 135 Ca 0.62 1.51 0.02 0.00 -1.95 0.00 0.00 55.36 55.55 3tgi s GLN 135 Cb -0.36 -3.34 -0.05 0.00 -0.22 0.00 0.00 33.01 29.05 3tgi s GLN 135 CO 0.33 0.26 0.12 0.00 -0.25 0.00 0.00 175.29 175.74 3tgi s LEU 137 N -3.37 2.00 -0.00 0.00 2.96 0.42 -1.19 118.68 119.50 3tgi s LEU 137 Ca 0.36 -0.55 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 3tgi s LEU 137 Cb 0.07 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 3tgi s LEU 137 CO 0.15 0.07 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.47 3tgi s ILE 138 N 0.79 2.94 0.06 6.68 1.01 0.14 -1.04 121.20 131.78 3tgi s ILE 138 Ca -0.09 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.54 3tgi s ILE 138 Cb -0.16 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 3tgi s ILE 138 CO -0.00 0.45 0.13 -0.94 0.00 0.00 0.00 174.94 174.58 3tgi s SER 139 N -1.12 0.18 0.00 3.58 1.04 -1.22 -0.56 113.70 115.60 3tgi s SER 139 Ca 0.13 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3tgi s SER 139 Cb -0.11 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.29 3tgi s SER 139 CO 0.03 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.26 3tgi n GLY 140 N 0.38 0.35 1.26 7.32 0.00 -0.78 -4.42 105.19 109.30 3tgi n GLY 140 Ca -0.17 -1.06 0.02 0.00 0.00 0.00 0.00 46.02 44.81 3tgi n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3tgi n TRP 141 N -0.56 1.40 -1.53 1.61 8.01 -1.26 -1.41 117.44 123.71 3tgi n TRP 141 Ca 0.00 -1.10 -0.30 0.00 -1.31 0.00 0.00 57.50 54.79 3tgi n TRP 141 Cb 0.00 -0.45 0.22 0.00 -2.01 0.00 0.00 31.31 29.07 3tgi n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3tgi s GLY 142 N -1.79 1.69 0.30 6.99 0.00 -1.25 -4.33 107.32 108.93 3tgi s GLY 142 Ca 0.47 -1.12 -0.28 0.00 0.00 0.00 0.00 44.72 43.78 3tgi s GLY 142 CO 0.09 -0.28 1.13 -2.01 0.00 0.00 0.00 173.10 172.02 3tgi n ASN 143 N -4.28 1.84 -0.77 1.64 5.15 0.05 -3.10 115.26 115.79 3tgi n ASN 143 Ca 0.15 1.19 0.09 0.00 -0.60 0.00 0.00 54.58 55.40 3tgi n ASN 143 Cb 0.59 -1.36 0.10 0.00 -0.53 0.00 0.00 39.78 38.59 3tgi n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3tgi n THR 144 N 0.40 0.17 -4.91 -0.44 -2.24 -0.78 -1.00 114.28 105.48 3tgi n THR 144 Ca 0.08 -0.58 -0.31 0.00 -2.27 0.00 0.00 64.05 60.97 3tgi n THR 144 Cb 0.33 1.23 -0.14 0.00 -2.10 0.00 0.00 70.33 69.65 3tgi n THR 144 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3tgi s LEU 145 N -1.42 2.46 0.09 3.22 1.43 -1.26 -4.23 118.68 118.98 3tgi s LEU 145 Ca 0.24 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 3tgi s LEU 145 Cb 0.16 -1.46 -0.24 0.00 0.03 0.00 0.00 46.19 44.68 3tgi s LEU 145 CO 0.23 0.30 1.19 -1.28 0.23 0.00 0.00 176.35 177.02 3tgi h SER 146 N 5.03 0.17 -3.42 2.29 0.87 -1.93 -3.42 113.55 113.13 3tgi h SER 146 Ca -0.46 -0.19 -0.59 0.00 -1.23 0.00 0.00 61.79 59.32 3tgi h SER 146 Cb 1.14 -0.06 -0.38 0.00 -0.44 0.00 0.00 62.40 62.67 3tgi h SER 146 CO 0.48 1.15 -0.80 -0.55 -0.53 0.00 0.00 176.83 176.58 3tgi s SER 147 N -6.86 3.26 0.00 6.23 0.15 -1.26 -4.72 113.70 110.49 3tgi s SER 147 Ca -0.01 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.78 3tgi s SER 147 Cb 0.09 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 3tgi s SER 147 CO 0.85 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.72 3tgi n GLY 148 N 4.76 -1.50 2.79 9.45 0.00 -1.26 -5.01 105.19 114.42 3tgi n GLY 148 Ca -0.13 -2.14 -0.22 0.00 0.00 0.00 0.00 46.02 43.52 3tgi n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3tgi s VAL 149 N -0.22 0.38 -0.25 1.61 1.01 -1.26 -4.67 120.40 116.99 3tgi s VAL 149 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 3tgi s VAL 149 Cb 0.00 -0.52 0.10 0.00 0.00 0.00 0.00 36.38 35.96 3tgi s VAL 149 CO 0.00 0.25 0.17 0.21 0.00 0.00 0.00 175.10 175.73 3tgi s ASN 150 N 1.75 2.55 -0.28 3.32 3.04 -1.26 -5.02 114.94 119.03 3tgi s ASN 150 Ca 0.02 -0.86 -0.19 0.00 0.04 0.00 0.00 52.86 51.87 3tgi s ASN 150 Cb -0.13 -0.03 -0.02 0.00 -1.54 0.00 0.00 41.25 39.54 3tgi s ASN 150 CO -0.04 -0.39 0.55 -1.61 -3.04 0.00 0.00 177.10 172.57 3tgi s GLU 151 N 2.20 3.96 0.50 0.43 2.02 -1.26 -1.86 118.70 124.69 3tgi s GLU 151 Ca 0.07 0.26 -0.20 0.00 0.02 0.00 0.00 54.97 55.12 3tgi s GLU 151 Cb -0.16 -3.69 -0.08 0.00 0.10 0.00 0.00 34.13 30.30 3tgi s GLU 151 CO -0.26 -0.45 1.04 -1.25 0.02 0.00 0.00 175.26 174.35 3tgi s PRO 152 N 2.41 3.76 -0.06 0.39 0.04 -1.26 -4.97 135.00 135.31 3tgi s PRO 152 Ca 0.22 1.35 -0.20 0.00 0.04 0.00 0.00 61.00 62.41 3tgi s PRO 152 Cb -0.15 -2.09 -0.31 0.00 0.04 0.00 0.00 34.50 31.99 3tgi s PRO 152 CO 0.10 -0.47 0.81 -0.44 0.04 0.00 0.00 177.00 177.05 3tgi h ASP 153 N 1.45 0.46 -3.09 6.66 3.32 -1.93 -3.47 116.42 119.83 3tgi h ASP 153 Ca -0.49 -0.93 -0.59 0.00 0.02 0.00 0.00 57.03 55.04 3tgi h ASP 153 Cb 1.22 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 3tgi h ASP 153 CO 0.59 1.46 -0.26 -0.76 -1.72 0.00 0.00 179.24 178.56 3tgi s LEU 154 N -7.79 4.35 0.18 1.55 1.43 -1.26 -1.45 118.68 115.69 3tgi s LEU 154 Ca -0.15 0.77 -0.33 0.00 -1.03 0.00 0.00 54.13 53.39 3tgi s LEU 154 Cb 0.02 -2.95 -0.14 0.00 0.03 0.00 0.00 46.19 43.15 3tgi s LEU 154 CO 0.82 0.18 1.54 -0.11 0.23 0.00 0.00 176.35 179.01 3tgi n LEU 155 N 0.93 3.13 -4.82 1.79 7.94 -0.86 -4.87 117.00 120.25 3tgi n LEU 155 Ca -0.08 1.10 -0.32 0.00 -1.11 0.00 0.00 56.01 55.60 3tgi n LEU 155 Cb 0.52 -1.43 -0.06 0.00 0.53 0.00 0.00 43.42 42.98 3tgi n LEU 155 CO 0.42 -0.32 -0.23 -1.10 -1.11 0.00 0.00 177.39 175.06 3tgi s GLN 156 N 0.60 3.10 0.12 1.96 -1.52 -0.50 -1.41 119.66 122.01 3tgi s GLN 156 Ca 0.76 -0.54 0.07 0.00 -1.95 0.00 0.00 55.36 53.71 3tgi s GLN 156 Cb -0.67 -2.87 -0.04 0.00 -0.22 0.00 0.00 33.01 29.22 3tgi s GLN 156 CO 0.41 0.61 -0.18 0.00 -0.25 0.00 0.00 175.29 175.88 3tgi s LEU 158 N -2.19 -0.14 -0.22 0.00 2.96 0.28 -0.80 118.68 118.55 3tgi s LEU 158 Ca 0.08 0.79 -0.18 0.00 -0.22 0.00 0.00 54.13 54.60 3tgi s LEU 158 Cb -0.08 1.11 -0.03 0.00 0.50 0.00 0.00 46.19 47.69 3tgi s LEU 158 CO 0.04 -0.20 0.52 -1.81 -1.32 0.00 0.00 176.35 173.58 3tgi s ASP 159 N 1.81 6.51 -0.01 3.68 1.01 -1.26 -0.68 116.67 127.73 3tgi s ASP 159 Ca -0.06 0.62 -0.20 0.00 0.71 0.00 0.00 52.55 53.61 3tgi s ASP 159 Cb -0.10 -2.29 0.04 0.00 1.01 0.00 0.00 42.92 41.58 3tgi s ASP 159 CO -0.11 -0.22 0.44 0.00 0.21 0.00 0.00 175.17 175.49 3tgi s ALA 160 N 1.89 -1.13 0.35 5.23 0.00 -0.34 -4.96 121.76 122.81 3tgi s ALA 160 Ca 0.23 0.62 -0.04 0.00 0.00 0.00 0.00 51.96 52.77 3tgi s ALA 160 Cb -0.15 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3tgi s ALA 160 CO 0.09 -0.34 0.62 -1.25 0.00 0.00 0.00 175.76 174.88 3tgi s PRO 161 N -1.54 3.58 0.19 0.00 0.04 -1.26 0.01 135.00 136.03 3tgi s PRO 161 Ca -0.11 -0.01 -0.30 0.00 0.04 0.00 0.00 61.00 60.62 3tgi s PRO 161 Cb -0.03 -2.58 -0.08 0.00 0.04 0.00 0.00 34.50 31.86 3tgi s PRO 161 CO 0.05 0.09 1.13 -0.51 0.04 0.00 0.00 177.00 177.80 3tgi s LEU 162 N -4.02 4.48 0.17 -3.56 1.02 -0.27 -2.08 118.68 114.43 3tgi s LEU 162 Ca 0.44 2.15 -0.00 0.00 0.02 0.00 0.00 54.13 56.74 3tgi s LEU 162 Cb -0.10 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.46 3tgi s LEU 162 CO 0.35 -0.26 0.35 -0.76 0.02 0.00 0.00 176.35 176.05 3tgi s LEU 163 N -0.47 4.26 0.41 1.79 1.43 0.65 -0.78 118.68 125.97 3tgi s LEU 163 Ca 0.50 0.35 -0.27 0.00 -1.03 0.00 0.00 54.13 53.68 3tgi s LEU 163 Cb -0.31 -3.11 -0.10 0.00 0.03 0.00 0.00 46.19 42.71 3tgi s LEU 163 CO 0.36 0.00 1.46 -2.84 0.23 0.00 0.00 176.35 175.56 3tgi s PRO 164 N -3.20 3.93 0.52 1.29 0.02 -1.26 -4.57 135.00 131.74 3tgi s PRO 164 Ca 0.37 2.50 0.19 0.00 0.02 0.00 0.00 61.00 64.08 3tgi s PRO 164 Cb -0.11 -2.84 1.30 0.00 0.02 0.00 0.00 34.50 32.88 3tgi s PRO 164 CO 0.28 -0.65 2.11 0.37 -0.33 0.00 0.00 177.00 178.78 3tgi h GLN 165 N 2.72 0.00 -0.24 5.54 5.75 -1.97 -1.81 115.11 125.10 3tgi h GLN 165 Ca -0.51 -0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 57.88 3tgi h GLN 165 Cb 1.25 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.79 3tgi h GLN 165 CO 0.63 0.00 -0.31 0.00 -2.65 0.00 0.00 178.83 176.50 3tgi h ALA 166 N 1.93 1.02 -0.08 3.38 0.00 -1.99 -0.87 119.26 122.65 3tgi h ALA 166 Ca 0.07 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 3tgi h ALA 166 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3tgi h ALA 166 CO -0.00 0.59 -0.73 -0.44 0.00 0.00 0.00 179.25 178.67 3tgi h ASP 167 N 0.42 0.47 -0.26 0.00 3.32 -1.71 -1.26 116.42 117.41 3tgi h ASP 167 Ca 0.05 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 3tgi h ASP 167 Cb 0.76 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3tgi h ASP 167 CO 0.06 1.05 0.10 0.00 -1.72 0.00 0.00 179.24 178.72 3tgi h GLU 169 N 0.26 0.80 -0.01 0.00 5.08 -1.10 -1.85 114.58 117.75 3tgi h GLU 169 Ca 0.08 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 3tgi h GLU 169 Cb 0.20 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3tgi h GLU 169 CO -0.01 0.86 -0.33 0.00 -1.00 0.00 0.00 179.01 178.53 3tgi h ALA 170 N 1.17 1.43 0.06 3.43 0.00 -1.08 -2.25 119.26 122.03 3tgi h ALA 170 Ca 0.12 -0.31 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 3tgi h ALA 170 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3tgi h ALA 170 CO 0.04 0.43 -1.09 0.77 0.00 0.00 0.00 179.25 179.39 3tgi h SER 171 N 0.01 0.24 -2.24 0.00 0.02 -0.97 -3.38 113.55 107.24 3tgi h SER 171 Ca -0.00 -0.25 -0.59 0.00 -0.84 0.00 0.00 61.79 60.11 3tgi h SER 171 Cb 0.60 -0.08 -0.41 0.00 0.14 0.00 0.00 62.40 62.65 3tgi h SER 171 CO 0.04 1.17 -0.79 -1.22 -1.14 0.00 0.00 176.83 174.89 3tgi n TYR 172 N -3.49 1.95 -1.70 3.45 4.02 -0.73 -4.84 117.16 115.82 3tgi n TYR 172 Ca -0.05 -3.92 -0.57 0.00 -0.01 0.00 0.00 57.90 53.35 3tgi n TYR 172 Cb 0.96 -0.44 -0.07 0.00 -0.02 0.00 0.00 39.34 39.77 3tgi n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3tgi n PRO 173 N 1.30 1.14 -1.28 -0.72 -0.02 -0.86 -1.75 135.00 132.80 3tgi n PRO 173 Ca 0.26 0.41 -0.10 0.00 -2.02 0.00 0.00 63.50 62.06 3tgi n PRO 173 Cb 0.45 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 3tgi n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3tgi n GLY 174 N 4.33 1.05 0.01 -1.23 0.00 -1.26 -4.86 105.19 103.23 3tgi n GLY 174 Ca 0.27 -0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3tgi n GLY 174 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3tgi n LYS 175 N -1.74 5.35 -3.57 1.61 4.76 -0.72 -5.01 118.16 118.85 3tgi n LYS 175 Ca -0.10 -0.03 -0.36 0.00 -2.87 0.00 0.00 58.31 54.95 3tgi n LYS 175 Cb 0.44 -0.72 -0.08 0.00 -1.84 0.00 0.00 35.03 32.84 3tgi n LYS 175 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3tgi s ILE 176 N -1.35 5.32 0.46 -0.18 -1.09 -1.25 -5.04 121.20 118.07 3tgi s ILE 176 Ca 0.02 0.45 0.08 0.00 -2.23 0.00 0.00 60.65 58.96 3tgi s ILE 176 Cb 0.03 -3.60 0.01 0.00 -1.58 0.00 0.00 42.46 37.33 3tgi s ILE 176 CO 0.17 0.37 0.47 0.42 -1.23 0.00 0.00 174.94 175.14 3tgi s THR 177 N 0.66 2.46 -1.14 2.92 -4.23 -1.26 -4.99 115.64 110.06 3tgi s THR 177 Ca 0.14 -1.27 0.10 0.00 -1.18 0.00 0.00 61.69 59.48 3tgi s THR 177 Cb -0.13 -2.73 0.11 0.00 1.34 0.00 0.00 72.50 71.09 3tgi s THR 177 CO 0.03 0.00 1.29 0.47 -0.54 0.00 0.00 174.62 175.87 3tgi n ASP 178 N -1.73 0.00 -1.17 3.99 8.00 -1.26 -1.74 116.55 122.64 3tgi n ASP 178 Ca 0.05 0.39 0.10 0.00 0.71 0.00 0.00 54.79 56.04 3tgi n ASP 178 Cb 0.62 -0.43 0.28 0.00 -0.02 0.00 0.00 41.12 41.57 3tgi n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3tgi n ASN 179 N -1.43 3.41 -4.34 -2.24 3.02 -1.26 -4.92 115.26 107.50 3tgi n ASN 179 Ca 0.03 -2.00 -0.23 0.00 -0.03 0.00 0.00 54.58 52.35 3tgi n ASN 179 Cb 0.11 -0.43 -0.12 0.00 -0.61 0.00 0.00 39.78 38.73 3tgi n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3tgi s MET 180 N -1.16 1.28 -0.06 3.52 -1.94 -0.71 -0.70 119.30 119.53 3tgi s MET 180 Ca 0.42 -1.37 -0.06 0.00 -1.71 0.00 0.00 55.69 52.98 3tgi s MET 180 Cb 0.22 -1.42 0.02 0.00 2.01 0.00 0.00 34.83 35.66 3tgi s MET 180 CO 0.29 0.30 0.16 0.54 -0.01 0.00 0.00 175.02 176.30 3tgi s VAL 181 N -1.81 0.00 -0.02 -6.03 0.11 -0.04 -4.78 120.40 107.84 3tgi s VAL 181 Ca 0.14 -0.01 -0.15 0.00 -2.93 0.00 0.00 61.98 59.04 3tgi s VAL 181 Cb -0.07 -0.23 -0.06 0.00 -1.53 0.00 0.00 36.38 34.49 3tgi s VAL 181 CO 0.07 -0.00 0.41 0.00 -3.33 0.00 0.00 175.10 172.24 3tgi s VAL 183 N -0.86 0.37 -0.83 0.00 1.01 -0.98 -0.26 120.40 118.85 3tgi s VAL 183 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.16 3tgi s VAL 183 Cb -0.16 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.81 3tgi s VAL 183 CO 0.13 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.01 3tgi n GLY 184 N 3.88 0.50 2.84 4.51 0.00 -0.88 -3.54 105.19 112.49 3tgi n GLY 184 Ca -0.24 -1.33 -0.18 0.00 0.00 0.00 0.00 46.02 44.27 3tgi n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3tgi s PHE 184 N -4.00 0.47 -0.43 1.61 0.40 -1.26 -4.38 117.98 110.39 3tgi s PHE 184 Ca 0.00 -0.07 0.21 0.00 -0.60 0.00 0.00 56.93 56.47 3tgi s PHE 184 Cb 0.00 -0.51 0.99 0.00 0.51 0.00 0.00 43.02 44.00 3tgi s PHE 184 CO 0.00 -0.16 1.65 1.28 0.70 0.00 0.00 175.22 178.69 3tgi n LEU 185 N 4.17 0.57 -0.33 -0.37 4.77 -1.26 -1.03 117.00 123.52 3tgi n LEU 185 Ca -0.25 0.68 0.13 0.00 -0.03 0.00 0.00 56.01 56.54 3tgi n LEU 185 Cb 0.50 -0.66 0.32 0.00 -2.33 0.00 0.00 43.42 41.26 3tgi n LEU 185 CO 0.22 -0.68 0.61 -0.62 -1.33 0.00 0.00 177.39 175.60 3tgi n GLU 186 N -2.17 1.02 0.00 3.23 4.71 -1.26 -0.43 120.64 125.74 3tgi n GLU 186 Ca 0.01 -0.66 0.00 0.00 -0.01 0.00 0.00 57.16 56.50 3tgi n GLU 186 Cb 0.15 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 3tgi n GLU 186 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3tgi n GLY 187 N 1.34 -1.12 1.38 0.62 0.00 -0.20 -4.25 105.19 102.96 3tgi n GLY 187 Ca 0.12 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3tgi n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3tgi n GLY 188 N 0.00 2.44 2.99 -0.02 0.00 -0.41 -4.81 105.19 105.38 3tgi n GLY 188 Ca 0.00 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 3tgi n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3tgi s LYS 188 N 0.00 1.20 0.02 1.61 1.02 -1.26 -3.98 119.74 118.35 3tgi s LYS 188 Ca 0.00 -0.31 -0.29 0.00 0.02 0.00 0.00 55.97 55.39 3tgi s LYS 188 Cb 0.00 -1.07 0.11 0.00 -0.52 0.00 0.00 37.83 36.35 3tgi s LYS 188 CO 0.00 0.05 1.22 0.34 -0.92 0.00 0.00 175.35 176.04 3tgi s ASP 189 N 0.49 -0.08 0.46 2.83 -1.08 -0.83 -4.43 116.67 114.03 3tgi s ASP 189 Ca -0.09 -0.20 -0.03 0.00 -0.52 0.00 0.00 52.55 51.71 3tgi s ASP 189 Cb -0.12 0.23 -0.03 0.00 -1.46 0.00 0.00 42.92 41.54 3tgi s ASP 189 CO 0.02 -0.42 0.73 -0.94 0.52 0.00 0.00 175.17 175.07 3tgi s SER 190 N -3.01 6.17 0.27 -0.34 1.04 -1.26 -0.28 113.70 116.29 3tgi s SER 190 Ca 0.14 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.32 3tgi s SER 190 Cb 0.03 -2.09 -0.00 0.00 0.10 0.00 0.00 66.02 64.06 3tgi s SER 190 CO -0.02 -0.57 0.34 0.00 0.98 0.00 0.00 173.24 173.97 3tgi n GLN 192 N -0.46 2.01 0.00 0.00 3.00 -1.26 -1.08 117.38 119.59 3tgi n GLN 192 Ca 0.02 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 3tgi n GLN 192 Cb 0.46 -2.52 0.00 0.00 0.00 0.00 0.00 30.24 28.18 3tgi n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3tgi n GLY 193 N 3.88 1.43 0.03 1.08 0.00 -1.26 -0.77 105.19 109.58 3tgi n GLY 193 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 3tgi n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3tgi n ASP 194 N 0.00 0.56 -4.51 1.61 8.00 -0.24 -3.84 116.55 118.14 3tgi n ASP 194 Ca 0.00 -0.27 -0.44 0.00 0.71 0.00 0.00 54.79 54.79 3tgi n ASP 194 Cb 0.00 1.06 -0.01 0.00 -0.02 0.00 0.00 41.12 42.15 3tgi n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3tgi n SER 195 N -1.98 0.03 0.00 -2.24 7.64 -1.26 -1.48 113.62 114.32 3tgi n SER 195 Ca 0.01 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.96 3tgi n SER 195 Cb 0.45 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 3tgi n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3tgi n GLY 196 N 1.57 2.66 3.71 0.23 0.00 -0.26 0.70 105.19 113.80 3tgi n GLY 196 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3tgi n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3tgi s GLY 197 N -1.89 1.62 0.34 -0.02 0.00 -0.55 -3.21 107.32 103.60 3tgi s GLY 197 Ca 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 44.72 44.50 3tgi s GLY 197 CO 0.00 0.44 0.78 2.56 0.00 0.00 0.00 173.10 176.87 3tgi s PRO 198 N -4.92 4.05 -0.30 2.90 0.04 -1.26 -1.44 135.00 134.07 3tgi s PRO 198 Ca 0.64 0.76 0.01 0.00 0.04 0.00 0.00 61.00 62.45 3tgi s PRO 198 Cb -0.18 -2.39 0.09 0.00 0.04 0.00 0.00 34.50 32.06 3tgi s PRO 198 CO 0.57 0.12 0.04 0.08 0.04 0.00 0.00 177.00 177.86 3tgi s VAL 199 N -2.02 1.56 -0.18 -0.36 1.01 -0.57 -3.39 120.40 116.46 3tgi s VAL 199 Ca 0.56 -1.71 -0.05 0.00 0.00 0.00 0.00 61.98 60.78 3tgi s VAL 199 Cb -0.10 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3tgi s VAL 199 CO 0.17 -0.50 0.01 -0.69 0.00 0.00 0.00 175.10 174.08 3tgi s VAL 200 N 1.29 4.17 -0.12 2.92 1.01 -0.21 -1.22 120.40 128.25 3tgi s VAL 200 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3tgi s VAL 200 Cb -0.18 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.35 3tgi s VAL 200 CO -0.14 0.45 -0.11 0.00 0.00 0.00 0.00 175.10 175.30 3tgi n ASN 202 N 4.68 -4.90 0.00 0.00 3.02 -1.26 -1.77 115.26 115.03 3tgi n ASN 202 Ca -0.16 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 3tgi n ASN 202 Cb 0.50 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 3tgi n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3tgi n GLY 203 N -1.76 0.51 3.21 7.41 0.00 -1.26 -5.02 105.19 108.28 3tgi n GLY 203 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3tgi n GLY 203 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3tgi s GLU 204 N -0.20 1.68 -0.59 1.61 2.02 -0.73 -3.83 118.70 118.67 3tgi s GLU 204 Ca 0.00 -0.73 -0.28 0.00 0.02 0.00 0.00 54.97 53.99 3tgi s GLU 204 Cb 0.00 -1.61 0.01 0.00 0.10 0.00 0.00 34.13 32.64 3tgi s GLU 204 CO 0.00 0.43 1.44 -1.17 0.02 0.00 0.00 175.26 175.98 3tgi s LEU 209 N -0.44 3.36 -0.03 1.80 2.96 -0.04 -0.95 118.68 125.35 3tgi s LEU 209 Ca 0.07 0.20 0.20 0.00 -0.22 0.00 0.00 54.13 54.38 3tgi s LEU 209 Cb -0.08 -2.95 -0.30 0.00 0.50 0.00 0.00 46.19 43.36 3tgi s LEU 209 CO -0.01 -1.79 0.45 0.00 -1.32 0.00 0.00 176.35 173.69 3tgi n GLN 210 N 8.80 0.60 -3.94 1.98 1.13 -0.36 -3.87 117.38 121.72 3tgi n GLN 210 Ca 0.12 -0.17 -0.09 0.00 -1.94 0.00 0.00 57.00 54.91 3tgi n GLN 210 Cb 0.49 -1.47 -0.08 0.00 0.11 0.00 0.00 30.24 29.30 3tgi n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3tgi s GLY 211 N -4.22 0.36 -0.07 1.08 0.00 -0.95 -2.11 107.32 101.41 3tgi s GLY 211 Ca -0.07 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.82 3tgi s GLY 211 CO 0.82 -0.89 -0.09 -0.42 0.00 0.00 0.00 173.10 172.51 3tgi s ILE 212 N -3.93 0.97 0.16 0.90 1.01 -1.08 -1.51 121.20 117.72 3tgi s ILE 212 Ca 0.12 -0.34 -0.33 0.00 0.00 0.00 0.00 60.65 60.10 3tgi s ILE 212 Cb 0.05 -0.93 -0.13 0.00 0.01 0.00 0.00 42.46 41.45 3tgi s ILE 212 CO -0.05 0.33 1.65 0.52 0.00 0.00 0.00 174.94 177.39 3tgi n VAL 213 N 4.21 0.05 0.01 2.92 0.31 -0.52 -1.52 118.33 123.80 3tgi n VAL 213 Ca -0.20 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3tgi n VAL 213 Cb 0.51 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 3tgi n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3tgi n SER 214 N 3.89 0.05 -3.23 4.52 2.88 -1.16 -1.10 113.62 119.47 3tgi n SER 214 Ca 0.17 0.03 -0.11 0.00 -1.33 0.00 0.00 58.87 57.63 3tgi n SER 214 Cb 0.31 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.76 3tgi n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3tgi s TRP 215 N -1.09 0.54 0.00 0.66 1.48 -0.96 -4.92 118.94 114.65 3tgi s TRP 215 Ca 0.00 -0.97 0.00 0.00 -1.06 0.00 0.00 56.10 54.07 3tgi s TRP 215 Cb 0.00 0.36 0.00 0.00 -1.16 0.00 0.00 33.47 32.67 3tgi s TRP 215 CO 0.00 -1.30 0.00 0.41 -4.06 0.00 0.00 176.95 172.00 3tgi n GLY 216 N -0.53 1.41 3.46 3.67 0.00 -1.26 -0.12 105.19 111.81 3tgi n GLY 216 Ca -0.03 -0.82 -0.44 0.00 0.00 0.00 0.00 46.02 44.73 3tgi n GLY 216 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3tgi s TYR 217 N -2.00 2.95 0.00 1.61 2.02 -1.26 -4.89 117.35 115.77 3tgi s TYR 217 Ca 0.00 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 3tgi s TYR 217 Cb 0.00 -3.79 0.00 0.00 -0.40 0.00 0.00 41.96 37.77 3tgi s TYR 217 CO 0.00 -1.20 0.00 0.41 -1.57 0.00 0.00 175.55 173.19 3tgi n GLY 219 N 5.19 -0.37 2.84 0.71 0.00 -1.26 -4.71 105.19 107.59 3tgi n GLY 219 Ca -0.05 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.75 3tgi n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3tgi n ALA 221 N 4.37 -0.64 -2.41 0.00 0.00 -1.26 -4.55 120.51 116.01 3tgi n ALA 221 Ca -0.24 0.18 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 3tgi n ALA 221 Cb 0.51 -2.45 -0.06 0.00 0.00 0.00 0.00 19.45 17.45 3tgi n ALA 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3tgi s LEU 221 N -5.62 4.32 0.37 0.00 1.43 -1.26 -1.29 118.68 116.63 3tgi s LEU 221 Ca 0.07 1.00 -0.28 0.00 -1.03 0.00 0.00 54.13 53.89 3tgi s LEU 221 Cb -0.03 -3.25 -0.10 0.00 0.03 0.00 0.00 46.19 42.84 3tgi s LEU 221 CO 0.09 0.10 1.38 -2.84 0.23 0.00 0.00 176.35 175.31 3tgi s PRO 222 N -2.03 4.15 -0.02 1.29 0.02 -1.26 -2.31 135.00 134.84 3tgi s PRO 222 Ca 0.38 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.75 3tgi s PRO 222 Cb -0.14 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3tgi s PRO 222 CO 0.19 -0.41 0.00 -3.47 -0.33 0.00 0.00 177.00 172.98 3tgi n ASP 223 N 0.48 -4.33 -3.14 2.53 2.03 0.43 -4.92 116.55 109.63 3tgi n ASP 223 Ca 0.01 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.11 3tgi n ASP 223 Cb 0.41 -1.85 -0.06 0.00 -0.72 0.00 0.00 41.12 38.91 3tgi n ASP 223 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3tgi n ASN 224 N -0.43 -0.36 -4.80 1.67 4.13 -0.98 -4.64 115.26 109.85 3tgi n ASN 224 Ca -0.00 -2.75 -0.31 0.00 1.68 0.00 0.00 54.58 53.20 3tgi n ASN 224 Cb 0.22 -0.26 0.07 0.00 -1.54 0.00 0.00 39.78 38.27 3tgi n ASN 224 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3tgi s PRO 225 N -0.78 2.66 0.60 3.52 0.04 -1.26 -4.33 135.00 135.45 3tgi s PRO 225 Ca 0.34 1.07 -0.20 0.00 0.04 0.00 0.00 61.00 62.26 3tgi s PRO 225 Cb 0.16 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 3tgi s PRO 225 CO -0.14 -1.32 1.32 0.20 0.04 0.00 0.00 177.00 177.10 3tgi s GLY 226 N -3.54 2.87 -0.09 0.56 0.00 -1.23 -4.80 107.32 101.08 3tgi s GLY 226 Ca 0.60 1.26 -0.00 0.00 0.00 0.00 0.00 44.72 46.58 3tgi s GLY 226 CO 0.54 1.73 -0.07 0.14 0.00 0.00 0.00 173.10 175.44 3tgi s VAL 227 N -1.36 3.65 0.11 1.40 1.01 0.82 -2.32 120.40 123.71 3tgi s VAL 227 Ca 0.78 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 62.33 3tgi s VAL 227 Cb -0.38 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3tgi s VAL 227 CO 0.43 0.57 -0.15 -0.31 0.00 0.00 0.00 175.10 175.64 3tgi s TYR 228 N -0.45 1.41 0.08 5.22 1.51 0.94 -2.27 117.35 123.78 3tgi s TYR 228 Ca 0.07 -0.52 -0.31 0.00 -1.01 0.00 0.00 57.07 55.30 3tgi s TYR 228 Cb -0.12 -0.75 -0.07 0.00 -0.11 0.00 0.00 41.96 40.92 3tgi s TYR 228 CO 0.02 0.14 1.30 0.99 -1.11 0.00 0.00 175.55 176.89 3tgi s THR 229 N -1.88 3.68 -0.97 -0.71 2.01 -0.57 -0.86 115.64 116.34 3tgi s THR 229 Ca 0.07 1.20 -0.24 0.00 0.31 0.00 0.00 61.69 63.03 3tgi s THR 229 Cb -0.06 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 68.72 3tgi s THR 229 CO 0.03 0.08 1.44 -0.75 -0.69 0.00 0.00 174.62 174.74 3tgi s LYS 230 N 1.23 3.49 0.53 4.92 2.20 0.13 -2.63 119.74 129.61 3tgi s LYS 230 Ca 0.62 -0.96 0.23 0.00 -0.36 0.00 0.00 55.97 55.50 3tgi s LYS 230 Cb -0.33 -5.17 1.38 0.00 -1.51 0.00 0.00 37.83 32.20 3tgi s LYS 230 CO 0.29 -2.24 2.06 0.28 -0.36 0.00 0.00 175.35 175.37 3tgi h VAL 231 N 6.71 0.80 0.00 4.02 2.07 -1.73 -2.51 116.25 125.60 3tgi h VAL 231 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3tgi h VAL 231 Cb 1.02 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3tgi h VAL 231 CO 1.40 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.99 3tgi n ASN 233 N -1.98 0.72 -0.00 0.00 3.02 -0.95 -4.20 115.26 111.87 3tgi n ASN 233 Ca 0.00 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 3tgi n ASN 233 Cb 0.09 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 3tgi n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3tgi n TYR 234 N -0.98 0.00 -0.16 3.10 4.01 -0.49 -4.80 117.16 117.84 3tgi n TYR 234 Ca 0.11 -0.48 -0.03 0.00 -0.16 0.00 0.00 57.90 57.34 3tgi n TYR 234 Cb 0.33 -0.05 0.06 0.00 -0.31 0.00 0.00 39.34 39.37 3tgi n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3tgi h VAL 235 N 0.24 0.87 -0.43 -0.72 2.07 -1.72 0.10 116.25 116.65 3tgi h VAL 235 Ca 0.00 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 3tgi h VAL 235 Cb 0.55 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3tgi h VAL 235 CO 0.00 0.07 0.10 0.44 0.02 0.00 0.00 177.57 178.21 3tgi h ASP 236 N 0.40 0.66 -0.96 0.57 3.32 -1.91 -0.98 116.42 117.52 3tgi h ASP 236 Ca 0.24 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3tgi h ASP 236 Cb 0.22 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 3tgi h ASP 236 CO -0.22 0.72 0.63 -0.25 -1.72 0.00 0.00 179.24 178.41 3tgi h TRP 237 N 0.57 1.21 0.11 4.55 7.01 -1.76 0.13 115.95 127.76 3tgi h TRP 237 Ca 0.14 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 3tgi h TRP 237 Cb 0.32 -0.41 0.00 0.00 -2.10 0.00 0.00 29.16 26.97 3tgi h TRP 237 CO 0.02 0.77 -0.05 0.82 -2.79 0.00 0.00 178.44 177.20 3tgi h ILE 238 N 1.30 0.97 -0.65 2.65 2.04 -0.41 -1.35 117.51 122.06 3tgi h ILE 238 Ca 0.35 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 3tgi h ILE 238 Cb -0.14 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3tgi h ILE 238 CO -0.08 0.07 0.28 1.56 0.00 0.00 0.00 178.15 179.98 3tgi h GLN 239 N -0.28 0.96 -0.73 2.37 4.20 -0.86 -0.77 115.11 120.00 3tgi h GLN 239 Ca -0.01 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 3tgi h GLN 239 Cb 0.23 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3tgi h GLN 239 CO 0.02 0.79 0.31 -0.44 -0.67 0.00 0.00 178.83 178.85 3tgi h ASP 240 N 0.91 0.99 -0.36 1.46 3.32 -0.71 -1.49 116.42 120.54 3tgi h ASP 240 Ca 0.22 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 3tgi h ASP 240 Cb 0.18 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3tgi h ASP 240 CO -0.02 0.88 -0.13 0.74 -1.72 0.00 0.00 179.24 178.99 3tgi h THR 241 N 1.04 1.28 -0.10 0.35 2.02 -0.97 -2.30 112.91 114.23 3tgi h THR 241 Ca 0.25 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.19 3tgi h THR 241 Cb 0.19 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3tgi h THR 241 CO -0.02 0.40 0.05 0.40 0.37 0.00 0.00 175.52 176.72 3tgi h ILE 242 N 0.52 1.11 0.00 3.11 2.04 -1.00 -2.32 117.51 120.97 3tgi h ILE 242 Ca 0.09 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 3tgi h ILE 242 Cb 0.66 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3tgi h ILE 242 CO 0.04 0.10 -0.07 0.00 0.00 0.00 0.00 178.15 178.22 3tgi h ALA 243 N 0.92 1.19 -0.01 1.87 0.00 -1.27 -2.69 119.26 119.26 3tgi h ALA 243 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3tgi h ALA 243 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3tgi h ALA 243 CO -0.00 0.09 -0.37 0.00 0.00 0.00 0.00 179.25 178.96 3tgi n ALA 244 N -2.21 3.33 -0.47 0.00 0.00 -0.87 -5.10 120.51 115.19 3tgi n ALA 244 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3tgi n ALA 244 Cb 0.21 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3tgi n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59