#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1thl s THR 2 N 0.00 5.32 0.00 7.28 2.01 -1.26 -5.04 115.64 123.95 1thl s THR 2 Ca 0.00 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1thl s THR 2 Cb 0.00 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 68.96 1thl s THR 2 CO 0.00 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 1thl n GLY 3 N 4.29 2.14 3.60 4.40 0.00 -1.26 -4.78 105.19 113.57 1thl n GLY 3 Ca -0.13 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 1thl n GLY 3 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1thl s THR 4 N -2.48 4.72 0.18 2.61 -1.32 -0.47 -4.83 115.64 114.06 1thl s THR 4 Ca 0.00 -0.05 -0.30 0.00 -1.21 0.00 0.00 61.69 60.12 1thl s THR 4 Cb 0.00 -3.15 -0.09 0.00 -1.51 0.00 0.00 72.50 67.76 1thl s THR 4 CO 0.00 0.43 1.32 -0.44 -2.21 0.00 0.00 174.62 173.72 1thl s SER 5 N 0.67 6.89 0.35 8.08 0.01 -1.26 0.61 113.70 129.05 1thl s SER 5 Ca 0.04 2.38 0.02 0.00 1.31 0.00 0.00 55.95 59.70 1thl s SER 5 Cb -0.13 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 1thl s SER 5 CO 0.02 -0.55 0.41 0.42 0.41 0.00 0.00 173.24 173.95 1thl s THR 6 N 0.30 0.00 -0.09 1.44 -4.23 -0.50 -4.91 115.64 107.66 1thl s THR 6 Ca 0.58 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1thl s THR 6 Cb -0.36 -2.62 0.02 0.00 1.34 0.00 0.00 72.50 70.88 1thl s THR 6 CO 0.37 0.00 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.65 1thl s VAL 7 N -3.11 1.14 0.54 2.29 1.01 -1.26 -1.50 120.40 119.52 1thl s VAL 7 Ca 0.35 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1thl s VAL 7 Cb 0.00 -1.08 0.04 0.00 0.00 0.00 0.00 36.38 35.34 1thl s VAL 7 CO 0.24 0.37 0.43 -0.83 0.00 0.00 0.00 175.10 175.31 1thl s GLY 8 N 1.07 2.32 0.01 4.51 0.00 0.08 -4.92 107.32 110.39 1thl s GLY 8 Ca -0.07 -1.35 0.03 0.00 0.00 0.00 0.00 44.72 43.33 1thl s GLY 8 CO -0.01 -1.91 -0.09 0.54 0.00 0.00 0.00 173.10 171.62 1thl s VAL 9 N -2.75 0.71 0.06 1.40 0.11 -1.07 -0.58 120.40 118.28 1thl s VAL 9 Ca 0.36 -0.58 -0.02 0.00 -2.93 0.00 0.00 61.98 58.81 1thl s VAL 9 Cb -0.02 -0.64 0.01 0.00 -1.53 0.00 0.00 36.38 34.20 1thl s VAL 9 CO 0.23 0.06 0.12 0.61 -3.33 0.00 0.00 175.10 172.78 1thl n GLY 10 N 2.48 2.11 3.13 6.54 0.00 -0.47 -0.73 105.19 118.24 1thl n GLY 10 Ca -0.16 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.46 1thl n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1thl s ARG 11 N -2.04 1.95 0.26 1.61 3.52 -0.85 -1.09 118.95 122.31 1thl s ARG 11 Ca 0.03 -0.62 -0.04 0.00 -0.13 0.00 0.00 55.73 54.98 1thl s ARG 11 Cb -0.01 -1.64 0.06 0.00 -1.56 0.00 0.00 34.95 31.80 1thl s ARG 11 CO 0.02 0.20 0.35 0.41 -0.81 0.00 0.00 175.30 175.47 1thl n GLY 12 N 3.31 -0.86 0.37 8.12 0.00 0.36 -4.27 105.19 112.22 1thl n GLY 12 Ca -0.19 -1.74 0.05 0.00 0.00 0.00 0.00 46.02 44.14 1thl n GLY 12 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1thl h VAL 13 N -1.07 1.02 -0.18 1.61 2.07 -1.90 -1.02 116.25 116.78 1thl h VAL 13 Ca -0.11 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1thl h VAL 13 Cb 0.33 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1thl h VAL 13 CO 0.09 0.20 0.00 0.18 0.02 0.00 0.00 177.57 178.05 1thl n LEU 14 N -4.54 1.48 0.00 2.57 4.32 -1.26 -4.91 117.00 114.65 1thl n LEU 14 Ca 0.17 -0.65 0.00 0.00 -0.02 0.00 0.00 56.01 55.50 1thl n LEU 14 Cb 0.25 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1thl n LEU 14 CO 0.30 0.33 0.00 0.61 -1.22 0.00 0.00 177.39 177.41 1thl n GLY 15 N 1.06 0.77 3.78 -0.72 0.00 -0.39 -5.05 105.19 104.64 1thl n GLY 15 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1thl n GLY 15 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1thl s ASP 16 N -2.98 7.37 0.01 1.61 -4.77 -1.26 -4.75 116.67 111.90 1thl s ASP 16 Ca 0.00 1.75 -0.20 0.00 -3.30 0.00 0.00 52.55 50.79 1thl s ASP 16 Cb 0.00 -2.54 -0.06 0.00 -1.09 0.00 0.00 42.92 39.23 1thl s ASP 16 CO 0.00 0.06 0.59 -1.58 0.70 0.00 0.00 175.17 174.94 1thl s GLN 17 N -1.65 4.30 0.05 2.11 0.74 -1.26 -0.49 119.66 123.46 1thl s GLN 17 Ca 0.44 0.73 -0.02 0.00 0.05 0.00 0.00 55.36 56.57 1thl s GLN 17 Cb -0.21 -3.33 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 1thl s GLN 17 CO 0.26 0.40 -0.01 -1.59 -0.55 0.00 0.00 175.29 173.80 1thl s LYS 18 N -0.31 0.61 0.04 1.67 -2.85 -0.25 -4.96 119.74 113.69 1thl s LYS 18 Ca 0.31 -1.17 -0.09 0.00 -1.00 0.00 0.00 55.97 54.02 1thl s LYS 18 Cb -0.18 0.22 -0.05 0.00 -2.06 0.00 0.00 37.83 35.75 1thl s LYS 18 CO 0.17 -0.12 0.35 -0.80 0.10 0.00 0.00 175.35 175.05 1thl s ASN 19 N -2.84 6.61 0.07 0.03 0.01 -1.26 -1.37 114.94 116.20 1thl s ASN 19 Ca 0.06 0.74 0.06 0.00 -0.71 0.00 0.00 52.86 53.00 1thl s ASN 19 Cb 0.07 -2.16 -0.03 0.00 0.41 0.00 0.00 41.25 39.54 1thl s ASN 19 CO -0.10 0.23 -0.15 0.27 -1.51 0.00 0.00 177.10 175.84 1thl s ILE 20 N -1.30 1.22 -0.20 0.60 -4.36 0.25 -4.96 121.20 112.44 1thl s ILE 20 Ca 0.29 -1.32 -0.28 0.00 -0.26 0.00 0.00 60.65 59.08 1thl s ILE 20 Cb -0.14 -1.15 0.00 0.00 1.25 0.00 0.00 42.46 42.42 1thl s ILE 20 CO 0.16 -0.18 0.97 0.20 0.24 0.00 0.00 174.94 176.33 1thl s ASN 21 N -1.72 7.06 0.38 4.36 -0.87 -1.26 -0.74 114.94 122.15 1thl s ASN 21 Ca -0.00 1.32 0.04 0.00 -1.57 0.00 0.00 52.86 52.65 1thl s ASN 21 Cb -0.10 -2.51 -0.05 0.00 -0.02 0.00 0.00 41.25 38.57 1thl s ASN 21 CO 0.03 -0.57 0.05 0.42 -2.57 0.00 0.00 177.10 174.46 1thl s THR 22 N 2.79 1.25 -0.04 1.60 -4.23 -0.56 -3.86 115.64 112.60 1thl s THR 22 Ca 0.42 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 1thl s THR 22 Cb -0.16 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.01 1thl s THR 22 CO 0.09 0.00 -0.14 -0.89 -0.54 0.00 0.00 174.62 173.14 1thl s THR 23 N -3.09 1.18 -0.23 3.99 2.01 -0.64 -1.41 115.64 117.45 1thl s THR 23 Ca 0.30 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.65 1thl s THR 23 Cb 0.07 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1thl s THR 23 CO 0.14 0.35 0.07 -0.47 -0.69 0.00 0.00 174.62 174.02 1thl s TYR 24 N 0.16 3.14 -0.51 4.92 5.04 0.20 -0.85 117.35 129.45 1thl s TYR 24 Ca -0.05 -0.22 0.07 0.00 -2.44 0.00 0.00 57.07 54.43 1thl s TYR 24 Cb -0.11 -2.19 0.19 0.00 0.35 0.00 0.00 41.96 40.20 1thl s TYR 24 CO 0.02 -0.17 0.71 0.45 -1.34 0.00 0.00 175.55 175.22 1thl s SER 25 N 1.19 -1.43 0.00 4.32 0.15 -1.26 -1.36 113.70 115.30 1thl s SER 25 Ca 0.05 -1.63 0.00 0.00 0.70 0.00 0.00 55.95 55.06 1thl s SER 25 Cb -0.14 1.89 0.00 0.00 -1.71 0.00 0.00 66.02 66.05 1thl s SER 25 CO 0.03 -0.07 0.00 0.41 1.20 0.00 0.00 173.24 174.82 1thl n THR 26 N 3.13 0.00 -3.32 6.45 -1.04 -1.26 -4.79 114.28 113.45 1thl n THR 26 Ca 0.17 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.99 1thl n THR 26 Cb 0.56 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.06 1thl n THR 26 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1thl s TYR 27 N 0.00 2.77 -0.26 -1.42 2.02 -1.26 -4.98 117.35 114.21 1thl s TYR 27 Ca 0.00 -0.44 -0.11 0.00 -0.37 0.00 0.00 57.07 56.15 1thl s TYR 27 Cb 0.00 -2.26 -0.05 0.00 -0.40 0.00 0.00 41.96 39.25 1thl s TYR 27 CO 0.00 -0.25 0.18 0.71 -1.57 0.00 0.00 175.55 174.62 1thl s TYR 28 N -2.41 3.26 0.12 2.71 1.51 0.34 -4.44 117.35 118.44 1thl s TYR 28 Ca 0.51 0.16 0.02 0.00 -1.01 0.00 0.00 57.07 56.75 1thl s TYR 28 Cb -0.06 -2.33 -0.04 0.00 -0.11 0.00 0.00 41.96 39.42 1thl s TYR 28 CO 0.30 -0.07 0.21 0.71 -1.11 0.00 0.00 175.55 175.59 1thl s TYR 29 N 1.46 3.39 -1.34 2.71 1.51 -0.03 -0.22 117.35 124.83 1thl s TYR 29 Ca 0.07 0.12 -0.17 0.00 -1.01 0.00 0.00 57.07 56.08 1thl s TYR 29 Cb -0.15 -1.65 0.06 0.00 -0.11 0.00 0.00 41.96 40.11 1thl s TYR 29 CO 0.08 0.54 1.88 1.28 -1.11 0.00 0.00 175.55 178.22 1thl n LEU 30 N -0.17 5.46 -3.70 -1.29 4.77 0.07 -1.63 117.00 120.52 1thl n LEU 30 Ca -0.07 -3.97 -0.25 0.00 -0.03 0.00 0.00 56.01 51.69 1thl n LEU 30 Cb 0.53 -1.72 -0.17 0.00 -2.33 0.00 0.00 43.42 39.73 1thl n LEU 30 CO 0.48 0.40 -0.36 -1.58 -1.33 0.00 0.00 177.39 175.00 1thl s GLN 31 N 3.97 0.39 -0.39 3.23 0.74 -1.26 -1.80 119.66 124.54 1thl s GLN 31 Ca 0.52 -0.13 -0.13 0.00 0.05 0.00 0.00 55.36 55.67 1thl s GLN 31 Cb 0.07 -1.63 0.02 0.00 1.10 0.00 0.00 33.01 32.57 1thl s GLN 31 CO 0.03 -0.55 0.26 0.34 -0.55 0.00 0.00 175.29 174.83 1thl s ASP 32 N 2.00 5.98 0.00 6.67 2.15 0.51 -3.29 116.67 130.69 1thl s ASP 32 Ca 0.02 -0.88 0.28 0.00 0.43 0.00 0.00 52.55 52.40 1thl s ASP 32 Cb -0.15 -2.11 1.15 0.00 -0.30 0.00 0.00 42.92 41.51 1thl s ASP 32 CO -0.07 -0.41 1.80 0.59 -0.17 0.00 0.00 175.17 176.91 1thl n ASN 33 N 5.10 1.27 -0.07 -0.34 4.13 -1.26 -1.59 115.26 122.50 1thl n ASN 33 Ca -0.11 -1.40 0.14 0.00 1.68 0.00 0.00 54.58 54.88 1thl n ASN 33 Cb 0.47 0.00 0.52 0.00 -1.54 0.00 0.00 39.78 39.23 1thl n ASN 33 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1thl n THR 34 N -0.03 0.00 -4.00 3.41 -2.24 -1.26 -4.74 114.28 105.42 1thl n THR 34 Ca 0.19 -0.04 -0.31 0.00 -2.27 0.00 0.00 64.05 61.62 1thl n THR 34 Cb 0.32 -0.08 -0.15 0.00 -2.10 0.00 0.00 70.33 68.32 1thl n THR 34 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1thl s ARG 35 N -2.70 1.81 3.92 -0.78 0.52 -1.26 -5.05 118.95 115.41 1thl s ARG 35 Ca 0.21 -1.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 1thl s ARG 35 Cb 0.19 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 32.84 1thl s ARG 35 CO 0.54 -0.68 0.00 0.41 0.02 0.00 0.00 175.30 175.59 1thl n GLY 36 N 4.48 2.65 0.49 -3.53 0.00 -1.26 -0.52 105.19 107.50 1thl n GLY 36 Ca -0.09 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.75 1thl n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1thl n ASP 37 N 1.29 1.33 0.00 1.61 8.00 -0.94 -4.98 116.55 122.87 1thl n ASP 37 Ca 0.00 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.43 1thl n ASP 37 Cb 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1thl n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1thl n GLY 38 N 0.58 3.13 3.29 0.44 0.00 0.32 -4.61 105.19 108.35 1thl n GLY 38 Ca 0.06 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 1thl n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1thl s ILE 39 N -2.01 2.59 -0.06 -0.61 1.01 -0.62 -1.78 121.20 119.73 1thl s ILE 39 Ca 0.00 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.86 1thl s ILE 39 Cb 0.00 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.42 1thl s ILE 39 CO 0.00 0.54 -0.14 -0.36 0.00 0.00 0.00 174.94 174.98 1thl s PHE 40 N 0.46 1.50 -0.09 3.97 0.08 -0.18 -0.36 117.98 123.37 1thl s PHE 40 Ca -0.12 -0.51 0.05 0.00 0.12 0.00 0.00 56.93 56.46 1thl s PHE 40 Cb -0.16 -1.07 -0.00 0.00 -0.57 0.00 0.00 43.02 41.21 1thl s PHE 40 CO 0.05 -0.23 -0.24 0.99 -0.10 0.00 0.00 175.22 175.69 1thl s THR 41 N 0.43 2.05 0.15 0.64 2.01 -0.74 -1.57 115.64 118.60 1thl s THR 41 Ca -0.11 -1.03 0.10 0.00 0.31 0.00 0.00 61.69 60.96 1thl s THR 41 Cb -0.14 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1thl s THR 41 CO 0.03 0.56 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.02 1thl s TYR 42 N 0.21 2.46 -0.32 4.92 1.51 0.30 -0.71 117.35 125.71 1thl s TYR 42 Ca -0.15 -0.30 -0.16 0.00 -1.01 0.00 0.00 57.07 55.46 1thl s TYR 42 Cb -0.17 -1.27 -0.02 0.00 -0.11 0.00 0.00 41.96 40.39 1thl s TYR 42 CO 0.07 0.42 0.39 0.34 -1.11 0.00 0.00 175.55 175.67 1thl s ASP 43 N -2.36 6.22 0.00 2.29 2.15 0.90 -1.85 116.67 124.03 1thl s ASP 43 Ca 0.19 -0.04 0.28 0.00 0.43 0.00 0.00 52.55 53.41 1thl s ASP 43 Cb -0.10 -2.21 1.13 0.00 -0.30 0.00 0.00 42.92 41.45 1thl s ASP 43 CO 0.10 -0.32 1.81 0.00 -0.17 0.00 0.00 175.17 176.59 1thl n ALA 44 N 5.43 2.81 -2.92 3.66 0.00 -0.38 -1.78 120.51 127.33 1thl n ALA 44 Ca -0.08 -0.27 -0.21 0.00 0.00 0.00 0.00 53.44 52.88 1thl n ALA 44 Cb 0.50 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.65 1thl n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1thl n LYS 45 N -1.01 -3.59 -1.15 0.00 5.02 -1.24 -1.31 118.16 114.88 1thl n LYS 45 Ca 0.13 0.77 -0.05 0.00 -2.02 0.00 0.00 58.31 57.13 1thl n LYS 45 Cb 0.29 -5.52 -0.02 0.00 -0.02 0.00 0.00 35.03 29.76 1thl n LYS 45 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1thl n TYR 46 N -4.11 0.00 -3.38 2.13 4.01 0.22 -5.00 117.16 111.03 1thl n TYR 46 Ca -0.12 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.41 1thl n TYR 46 Cb 0.61 -1.59 0.02 0.00 -0.31 0.00 0.00 39.34 38.07 1thl n TYR 46 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1thl s ARG 47 N -1.97 2.40 0.00 -0.72 1.81 -0.42 -3.94 118.95 116.11 1thl s ARG 47 Ca 0.00 -1.68 0.13 0.00 -1.72 0.00 0.00 55.73 52.46 1thl s ARG 47 Cb 0.00 -2.45 0.23 0.00 -0.45 0.00 0.00 34.95 32.28 1thl s ARG 47 CO 0.00 -0.58 1.11 0.25 -0.68 0.00 0.00 175.30 175.39 1thl n THR 48 N -1.92 0.46 -2.81 0.02 -2.24 -1.26 -2.12 114.28 104.41 1thl n THR 48 Ca 0.07 -0.73 -0.42 0.00 -2.27 0.00 0.00 64.05 60.71 1thl n THR 48 Cb 0.62 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.74 1thl n THR 48 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1thl s THR 49 N -1.08 4.85 0.02 4.28 2.01 -1.26 -5.04 115.64 119.44 1thl s THR 49 Ca 0.22 1.81 0.06 0.00 0.31 0.00 0.00 61.69 64.09 1thl s THR 49 Cb 0.13 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1thl s THR 49 CO 0.18 0.04 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.24 1thl s LEU 50 N 1.91 2.71 0.08 4.42 1.43 -1.26 -3.63 118.68 124.34 1thl s LEU 50 Ca 0.43 -0.35 0.25 0.00 -1.03 0.00 0.00 54.13 53.43 1thl s LEU 50 Cb -0.18 -1.58 0.54 0.00 0.03 0.00 0.00 46.19 45.01 1thl s LEU 50 CO 0.16 0.27 1.46 -0.81 0.23 0.00 0.00 176.35 177.66 1thl n PRO 51 N 1.64 0.16 0.00 1.29 -0.04 -1.26 -5.12 135.00 131.67 1thl n PRO 51 Ca -0.16 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1thl n PRO 51 Cb 0.52 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1thl n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1thl n GLY 52 N 1.40 -0.46 3.80 0.55 0.00 -1.24 -4.23 105.19 105.02 1thl n GLY 52 Ca 0.05 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 1thl n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1thl s SER 53 N -4.00 6.21 0.23 1.61 0.01 -0.73 -4.86 113.70 112.16 1thl s SER 53 Ca 0.00 0.35 -0.32 0.00 1.31 0.00 0.00 55.95 57.29 1thl s SER 53 Cb 0.00 -2.03 -0.12 0.00 0.21 0.00 0.00 66.02 64.08 1thl s SER 53 CO 0.00 0.32 1.62 -0.11 0.41 0.00 0.00 173.24 175.48 1thl n LEU 54 N 2.58 3.79 -4.67 2.44 7.94 -1.26 -0.07 117.00 127.76 1thl n LEU 54 Ca -0.18 1.10 -0.42 0.00 -1.11 0.00 0.00 56.01 55.39 1thl n LEU 54 Cb 0.54 -1.53 -0.03 0.00 0.53 0.00 0.00 43.42 42.93 1thl n LEU 54 CO 0.33 -0.01 1.43 0.86 -1.11 0.00 0.00 177.39 178.89 1thl s TRP 55 N 0.64 1.86 -0.07 1.96 -0.11 0.11 -4.78 118.94 118.55 1thl s TRP 55 Ca 0.72 0.03 0.02 0.00 1.22 0.00 0.00 56.10 58.09 1thl s TRP 55 Cb -0.56 -4.02 -0.03 0.00 -1.50 0.00 0.00 33.47 27.37 1thl s TRP 55 CO 0.40 -4.33 -0.12 0.00 -4.62 0.00 0.00 176.95 168.28 1thl s ALA 56 N 3.91 2.75 0.01 5.86 0.00 -1.26 -0.75 121.76 132.28 1thl s ALA 56 Ca 0.78 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1thl s ALA 56 Cb -0.37 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 1thl s ALA 56 CO 0.33 0.50 -0.02 0.34 0.00 0.00 0.00 175.76 176.92 1thl s ASP 57 N -0.55 0.14 0.21 0.00 2.15 0.70 -4.95 116.67 114.37 1thl s ASP 57 Ca 0.08 -0.23 0.08 0.00 0.43 0.00 0.00 52.55 52.90 1thl s ASP 57 Cb -0.12 0.04 0.13 0.00 -0.30 0.00 0.00 42.92 42.67 1thl s ASP 57 CO 0.02 -0.13 1.48 0.00 -0.17 0.00 0.00 175.17 176.36 1thl h ALA 58 N 5.46 0.72 0.00 3.66 0.00 -1.93 0.98 119.26 128.15 1thl h ALA 58 Ca -0.28 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1thl h ALA 58 Cb 1.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1thl h ALA 58 CO 0.46 0.93 0.00 -0.40 0.00 0.00 0.00 179.25 180.25 1thl n ASP 59 N -3.65 1.13 -0.58 0.00 5.75 -1.26 -4.69 116.55 113.25 1thl n ASP 59 Ca -0.01 -1.45 -0.08 0.00 -0.01 0.00 0.00 54.79 53.24 1thl n ASP 59 Cb 0.74 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.80 1thl n ASP 59 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1thl n ASN 60 N -0.22 -4.47 -4.16 -1.12 5.15 -1.26 -5.00 115.26 104.19 1thl n ASN 60 Ca 0.00 0.19 -0.32 0.00 -0.60 0.00 0.00 54.58 53.84 1thl n ASN 60 Cb 0.24 -2.63 -0.16 0.00 -0.53 0.00 0.00 39.78 36.70 1thl n ASN 60 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1thl s GLN 61 N -2.34 2.99 -0.61 1.20 -0.21 -1.26 -2.61 119.66 116.82 1thl s GLN 61 Ca 0.00 -0.84 0.06 0.00 0.02 0.00 0.00 55.36 54.60 1thl s GLN 61 Cb 0.00 -2.45 0.28 0.00 1.00 0.00 0.00 33.01 31.84 1thl s GLN 61 CO 0.00 -0.06 0.81 1.19 -2.12 0.00 0.00 175.29 175.11 1thl n PHE 62 N 4.20 3.57 0.82 0.91 3.01 0.09 -4.82 117.46 125.25 1thl n PHE 62 Ca -0.20 -4.08 0.09 0.00 1.01 0.00 0.00 57.45 54.27 1thl n PHE 62 Cb 0.51 -0.53 0.03 0.00 -0.01 0.00 0.00 39.48 39.48 1thl n PHE 62 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1thl n PHE 63 N 0.50 0.00 -2.48 1.38 3.72 -1.26 -2.00 117.46 117.32 1thl n PHE 63 Ca 0.30 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.35 1thl n PHE 63 Cb 0.41 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.93 1thl n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1thl s ALA 64 N -1.95 2.86 0.39 4.37 0.00 -1.26 -4.92 121.76 121.24 1thl s ALA 64 Ca 0.18 0.67 0.17 0.00 0.00 0.00 0.00 51.96 52.99 1thl s ALA 64 Cb 0.15 -3.28 0.98 0.00 0.00 0.00 0.00 23.12 20.97 1thl s ALA 64 CO 0.39 -0.41 1.93 0.66 0.00 0.00 0.00 175.76 178.33 1thl h SER 65 N 1.59 0.00 0.37 0.00 4.64 -1.97 0.09 113.55 118.26 1thl h SER 65 Ca -0.49 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.80 1thl h SER 65 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1thl h SER 65 CO 0.59 0.25 -0.12 0.22 -0.87 0.00 0.00 176.83 176.91 1thl h TYR 66 N 0.00 0.00 -0.02 4.77 3.20 -1.99 -2.67 116.97 120.26 1thl h TYR 66 Ca -0.00 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 1thl h TYR 66 Cb 0.50 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1thl h TYR 66 CO 0.00 0.12 -0.66 -0.44 -1.64 0.00 0.00 178.16 175.54 1thl h ASP 67 N 0.00 0.12 -0.67 -2.11 3.32 -1.31 -3.39 116.42 112.36 1thl h ASP 67 Ca -0.00 -0.07 0.12 0.00 0.02 0.00 0.00 57.03 57.10 1thl h ASP 67 Cb 0.33 -0.03 -0.13 0.00 0.22 0.00 0.00 39.33 39.72 1thl h ASP 67 CO 0.02 0.74 -0.28 0.00 -1.72 0.00 0.00 179.24 177.99 1thl h ALA 68 N 1.26 0.17 -0.41 3.45 0.00 -1.37 -1.35 119.26 121.00 1thl h ALA 68 Ca -0.01 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1thl h ALA 68 Cb 1.17 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 1thl h ALA 68 CO 0.09 -0.57 0.11 -1.35 0.00 0.00 0.00 179.25 177.53 1thl h PRO 69 N -0.09 0.61 -0.20 0.00 0.11 -1.80 -2.35 132.00 128.28 1thl h PRO 69 Ca 0.29 -0.10 -0.21 0.00 0.11 0.00 0.00 66.00 66.09 1thl h PRO 69 Cb 0.55 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.56 1thl h PRO 69 CO -0.73 0.55 -0.68 0.00 -0.21 0.00 0.00 178.00 176.92 1thl h ALA 70 N 1.53 0.39 -0.01 -0.75 0.00 -1.53 -1.38 119.26 117.51 1thl h ALA 70 Ca 0.14 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1thl h ALA 70 Cb 0.21 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1thl h ALA 70 CO -0.01 0.69 -0.24 0.28 0.00 0.00 0.00 179.25 179.97 1thl h VAL 71 N 0.58 0.45 -0.56 0.00 2.07 -0.99 -2.07 116.25 115.73 1thl h VAL 71 Ca -0.03 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1thl h VAL 71 Cb 1.30 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1thl h VAL 71 CO 0.14 0.00 0.11 0.44 0.02 0.00 0.00 177.57 178.29 1thl h ASP 72 N -0.37 0.86 -0.72 0.57 3.32 -1.46 -0.57 116.42 118.06 1thl h ASP 72 Ca 0.06 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.89 1thl h ASP 72 Cb 0.46 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1thl h ASP 72 CO -0.22 0.89 0.46 0.00 -1.72 0.00 0.00 179.24 178.65 1thl h ALA 73 N 1.01 0.93 -0.05 3.45 0.00 -1.16 -0.06 119.26 123.38 1thl h ALA 73 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1thl h ALA 73 Cb 0.38 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1thl h ALA 73 CO 0.01 0.26 -0.02 1.25 0.00 0.00 0.00 179.25 180.75 1thl h HIS 74 N 0.91 0.12 -0.35 0.00 -0.00 -1.30 -2.09 115.15 112.44 1thl h HIS 74 Ca 0.28 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.59 1thl h HIS 74 Cb -0.02 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 1thl h HIS 74 CO -0.03 0.46 0.09 -0.92 -0.00 0.00 0.00 177.93 177.52 1thl h TYR 75 N -0.25 0.59 0.00 5.26 5.03 -1.04 -2.50 116.97 124.07 1thl h TYR 75 Ca 0.01 -0.07 -0.12 0.00 2.58 0.00 0.00 58.73 61.14 1thl h TYR 75 Cb 0.42 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.52 1thl h TYR 75 CO 0.06 0.59 -0.55 1.88 -1.32 0.00 0.00 178.16 178.82 1thl h TYR 76 N 0.41 0.00 -0.40 -3.82 0.05 -1.07 -1.75 116.97 110.40 1thl h TYR 76 Ca 0.11 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.77 1thl h TYR 76 Cb 0.30 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1thl h TYR 76 CO 0.02 0.55 -0.22 0.00 -1.05 0.00 0.00 178.16 177.46 1thl h ALA 77 N 1.45 0.86 0.25 3.88 0.00 -1.29 -1.63 119.26 122.78 1thl h ALA 77 Ca -0.01 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1thl h ALA 77 Cb 1.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1thl h ALA 77 CO 0.07 0.64 -0.20 0.78 0.00 0.00 0.00 179.25 180.54 1thl h GLY 78 N 0.95 -0.46 0.31 0.00 0.00 -0.87 -0.64 103.07 102.36 1thl h GLY 78 Ca 0.10 0.22 0.09 0.00 0.00 0.00 0.00 47.33 47.75 1thl h GLY 78 CO 0.06 -0.19 0.12 -2.08 0.00 0.00 0.00 176.54 174.45 1thl h VAL 79 N -0.46 0.70 -0.80 4.60 2.07 -1.32 0.14 116.25 121.19 1thl h VAL 79 Ca -0.01 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1thl h VAL 79 Cb 0.41 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1thl h VAL 79 CO -0.02 0.05 0.53 0.74 0.02 0.00 0.00 177.57 178.89 1thl h THR 80 N 0.26 1.21 -0.68 2.57 2.02 -1.16 0.14 112.91 117.27 1thl h THR 80 Ca 0.27 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1thl h THR 80 Cb 0.38 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 1thl h THR 80 CO -0.35 0.20 0.43 0.22 0.37 0.00 0.00 175.52 176.39 1thl h TYR 81 N 1.08 0.88 -0.52 3.16 5.03 -0.40 -2.40 116.97 123.80 1thl h TYR 81 Ca 0.29 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.57 1thl h TYR 81 Cb -0.12 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 37.84 1thl h TYR 81 CO -0.02 0.57 0.16 -0.44 -1.32 0.00 0.00 178.16 177.12 1thl h ASP 82 N 0.92 0.76 0.01 -2.11 3.32 -0.20 -1.92 116.42 117.20 1thl h ASP 82 Ca 0.25 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 57.12 1thl h ASP 82 Cb -0.07 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.23 1thl h ASP 82 CO -0.05 0.77 -0.31 0.22 -1.72 0.00 0.00 179.24 178.15 1thl h TYR 83 N 0.72 -0.84 -0.66 4.55 3.20 -0.28 -0.01 116.97 123.65 1thl h TYR 83 Ca 0.17 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1thl h TYR 83 Cb 0.27 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 1thl h TYR 83 CO 0.02 -0.40 0.39 1.88 -1.64 0.00 0.00 178.16 178.40 1thl h TYR 84 N -0.47 0.86 -0.01 -3.82 0.05 -1.17 -0.56 116.97 111.86 1thl h TYR 84 Ca 0.06 -0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.79 1thl h TYR 84 Cb 0.55 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.01 1thl h TYR 84 CO -0.33 0.58 -0.19 -0.22 -1.05 0.00 0.00 178.16 176.96 1thl h LYS 85 N 0.91 0.15 0.00 4.88 3.64 -1.16 0.46 116.57 125.45 1thl h LYS 85 Ca 0.24 -0.14 -0.25 0.00 -1.27 0.00 0.00 60.65 59.23 1thl h LYS 85 Cb -0.02 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1thl h LYS 85 CO -0.04 0.87 -0.99 -0.91 -2.27 0.00 0.00 179.45 176.10 1thl h ASN 86 N -0.52 0.71 0.09 4.20 2.35 -0.91 -1.69 115.58 119.81 1thl h ASN 86 Ca -0.02 -0.57 -0.22 0.00 -0.55 0.00 0.00 56.30 54.94 1thl h ASN 86 Cb 0.92 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.07 1thl h ASN 86 CO 0.04 1.37 -1.13 0.58 -1.65 0.00 0.00 177.43 176.64 1thl h VAL 87 N 0.31 1.18 -0.01 2.81 2.07 -1.24 -3.41 116.25 117.95 1thl h VAL 87 Ca -0.10 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.04 1thl h VAL 87 Cb 1.64 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 34.20 1thl h VAL 87 CO 0.18 0.64 -0.01 1.41 0.02 0.00 0.00 177.57 179.81 1thl n HIS 88 N -4.11 0.00 -2.45 1.57 8.25 -0.64 -4.98 115.22 112.86 1thl n HIS 88 Ca -0.23 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.08 1thl n HIS 88 Cb 0.80 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.92 1thl n HIS 88 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1thl n ASN 89 N 0.48 -4.70 -4.38 0.41 3.02 -0.17 -4.94 115.26 104.98 1thl n ASN 89 Ca 0.05 -0.07 -0.34 0.00 -0.03 0.00 0.00 54.58 54.19 1thl n ASN 89 Cb 0.23 -3.76 -0.14 0.00 -0.61 0.00 0.00 39.78 35.51 1thl n ASN 89 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1thl s ARG 90 N -4.95 3.46 -0.51 3.52 3.52 0.15 -4.93 118.95 119.20 1thl s ARG 90 Ca 0.07 -0.61 -0.20 0.00 -0.13 0.00 0.00 55.73 54.86 1thl s ARG 90 Cb -0.03 -2.89 0.06 0.00 -1.56 0.00 0.00 34.95 30.53 1thl s ARG 90 CO 0.08 0.03 0.65 -0.51 -0.81 0.00 0.00 175.30 174.75 1thl s LEU 91 N 0.88 4.89 0.00 -0.88 1.43 -1.26 -2.92 118.68 120.81 1thl s LEU 91 Ca -0.01 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1thl s LEU 91 Cb -0.15 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1thl s LEU 91 CO 0.01 -0.92 0.00 -0.24 0.23 0.00 0.00 176.35 175.43 1thl n SER 92 N 6.29 -3.73 0.17 2.29 2.88 -1.26 -1.23 113.62 119.03 1thl n SER 92 Ca -0.06 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.54 1thl n SER 92 Cb 0.46 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.02 1thl n SER 92 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 1thl h TYR 93 N 0.00 0.00 -0.03 0.66 -0.00 -1.92 -3.13 116.97 112.56 1thl h TYR 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1thl h TYR 93 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 1thl h TYR 93 CO 0.00 0.32 -0.16 -0.40 -0.00 0.00 0.00 178.16 177.92 1thl n ASP 94 N -3.19 2.67 0.00 0.10 5.75 -1.26 -4.35 116.55 116.26 1thl n ASP 94 Ca 0.03 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1thl n ASP 94 Cb 0.65 0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 1thl n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1thl n GLY 95 N 1.37 0.81 1.03 6.12 0.00 -0.77 -4.86 105.19 108.89 1thl n GLY 95 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 1thl n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1thl n ASN 96 N 0.00 1.56 -1.47 1.61 2.85 -0.67 -4.27 115.26 114.86 1thl n ASN 96 Ca 0.00 -3.16 -0.15 0.00 -0.11 0.00 0.00 54.58 51.17 1thl n ASN 96 Cb 0.00 -0.44 -0.03 0.00 1.24 0.00 0.00 39.78 40.55 1thl n ASN 96 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1thl n ASN 97 N -0.49 -4.63 -4.53 1.20 5.03 -0.37 -4.94 115.26 106.53 1thl n ASN 97 Ca 0.15 0.14 -0.40 0.00 0.87 0.00 0.00 54.58 55.34 1thl n ASN 97 Cb 0.87 -3.64 0.02 0.00 -1.02 0.00 0.00 39.78 36.02 1thl n ASN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1thl n ALA 98 N -0.50 -0.66 -1.77 5.41 0.00 -1.26 -2.21 120.51 119.53 1thl n ALA 98 Ca -0.17 0.11 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 1thl n ALA 98 Cb 0.58 -1.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.08 1thl n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1thl s ALA 99 N -1.49 3.37 -0.26 0.00 0.00 -1.26 -4.60 121.76 117.53 1thl s ALA 99 Ca 0.67 1.24 -0.09 0.00 0.00 0.00 0.00 51.96 53.78 1thl s ALA 99 Cb -0.52 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 1thl s ALA 99 CO 0.55 -0.73 0.12 0.42 0.00 0.00 0.00 175.76 176.12 1thl s ILE 100 N -1.21 4.75 -0.03 0.00 1.01 -0.73 -5.02 121.20 119.97 1thl s ILE 100 Ca 0.53 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 61.23 1thl s ILE 100 Cb -0.39 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 1thl s ILE 100 CO 0.50 0.31 -0.23 -0.13 0.00 0.00 0.00 174.94 175.40 1thl s ARG 101 N 1.56 2.05 0.03 2.79 0.52 -1.26 -1.01 118.95 123.63 1thl s ARG 101 Ca 0.06 -0.84 0.03 0.00 -0.52 0.00 0.00 55.73 54.47 1thl s ARG 101 Cb -0.15 -1.90 -0.02 0.00 0.52 0.00 0.00 34.95 33.40 1thl s ARG 101 CO 0.06 0.46 -0.10 -1.12 0.02 0.00 0.00 175.30 174.62 1thl s SER 102 N -0.42 1.16 -0.01 0.23 0.01 -0.61 -1.48 113.70 112.58 1thl s SER 102 Ca 0.05 -0.38 0.08 0.00 1.31 0.00 0.00 55.95 57.01 1thl s SER 102 Cb -0.10 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1thl s SER 102 CO 0.00 -0.02 -0.25 -0.44 0.41 0.00 0.00 173.24 172.94 1thl s SER 103 N -0.97 2.92 0.42 2.44 0.01 -0.65 -0.54 113.70 117.33 1thl s SER 103 Ca -0.02 -0.46 0.07 0.00 1.31 0.00 0.00 55.95 56.85 1thl s SER 103 Cb -0.07 -0.32 -0.07 0.00 0.21 0.00 0.00 66.02 65.78 1thl s SER 103 CO 0.01 0.30 0.07 0.68 0.41 0.00 0.00 173.24 174.71 1thl s VAL 104 N -0.60 2.05 -1.42 3.43 -7.23 -0.77 -1.30 120.40 114.55 1thl s VAL 104 Ca 0.10 -1.89 -0.09 0.00 -1.81 0.00 0.00 61.98 58.29 1thl s VAL 104 Cb -0.10 -2.95 0.02 0.00 0.56 0.00 0.00 36.38 33.92 1thl s VAL 104 CO -0.01 0.00 1.04 1.41 -0.31 0.00 0.00 175.10 177.23 1thl n HIS 105 N -1.08 -2.62 -2.76 2.82 8.25 -1.17 -1.25 115.22 117.42 1thl n HIS 105 Ca -0.04 0.90 -0.42 0.00 -0.26 0.00 0.00 57.72 57.90 1thl n HIS 105 Cb 0.66 -4.74 -0.03 0.00 1.12 0.00 0.00 29.99 27.00 1thl n HIS 105 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1thl s TYR 106 N -3.28 3.56 0.00 4.41 5.04 -1.06 -0.61 117.35 125.42 1thl s TYR 106 Ca 0.55 1.56 0.00 0.00 -2.44 0.00 0.00 57.07 56.73 1thl s TYR 106 Cb -0.25 -3.10 0.00 0.00 0.35 0.00 0.00 41.96 38.96 1thl s TYR 106 CO 0.68 -0.11 0.00 0.45 -1.34 0.00 0.00 175.55 175.22 1thl n SER 107 N 4.50 -4.39 -4.21 4.32 2.88 -0.90 -4.25 113.62 111.56 1thl n SER 107 Ca 0.06 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.27 1thl n SER 107 Cb 0.50 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.80 1thl n SER 107 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1thl s GLN 108 N 0.00 3.10 -1.51 -1.46 -0.21 -1.26 -4.28 119.66 114.04 1thl s GLN 108 Ca 0.00 -0.81 -0.03 0.00 0.02 0.00 0.00 55.36 54.54 1thl s GLN 108 Cb 0.00 -2.51 0.01 0.00 1.00 0.00 0.00 33.01 31.51 1thl s GLN 108 CO 0.00 0.00 0.26 0.41 -2.12 0.00 0.00 175.29 173.85 1thl n GLY 109 N 4.05 -0.51 3.64 3.09 0.00 -1.26 -4.93 105.19 109.28 1thl n GLY 109 Ca -0.20 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1thl n GLY 109 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1thl s TYR 110 N -3.00 2.97 -0.59 1.61 5.04 -1.26 -4.08 117.35 118.04 1thl s TYR 110 Ca 0.15 1.09 -0.04 0.00 -2.44 0.00 0.00 57.07 55.84 1thl s TYR 110 Cb -0.07 -3.68 0.12 0.00 0.35 0.00 0.00 41.96 38.69 1thl s TYR 110 CO 0.19 -1.20 2.59 0.09 -1.34 0.00 0.00 175.55 175.88 1thl n ASN 111 N 7.00 6.78 -3.34 4.32 3.02 -1.26 -1.01 115.26 130.76 1thl n ASN 111 Ca 0.13 -3.33 -0.07 0.00 -0.03 0.00 0.00 54.58 51.28 1thl n ASN 111 Cb 0.46 -1.21 0.01 0.00 -0.61 0.00 0.00 39.78 38.43 1thl n ASN 111 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1thl s ASN 112 N 0.05 -0.10 0.07 6.41 3.84 -1.26 -4.98 114.94 118.97 1thl s ASN 112 Ca 0.57 -0.86 -0.08 0.00 0.21 0.00 0.00 52.86 52.70 1thl s ASN 112 Cb 0.38 0.75 -0.01 0.00 -0.55 0.00 0.00 41.25 41.82 1thl s ASN 112 CO -0.25 -1.45 0.15 0.00 -2.79 0.00 0.00 177.10 172.76 1thl s ALA 113 N -2.91 -0.14 0.04 1.71 0.00 -1.26 -1.14 121.76 118.07 1thl s ALA 113 Ca 0.14 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 51.20 1thl s ALA 113 Cb -0.05 0.40 0.09 0.00 0.00 0.00 0.00 23.12 23.57 1thl s ALA 113 CO 0.09 -0.45 0.91 -0.59 0.00 0.00 0.00 175.76 175.72 1thl s PHE 114 N -3.54 -0.28 -0.25 0.00 -0.71 -0.42 -5.00 117.98 107.78 1thl s PHE 114 Ca 0.03 0.09 -0.08 0.00 -1.04 0.00 0.00 56.93 55.93 1thl s PHE 114 Cb 0.04 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 42.39 1thl s PHE 114 CO -0.09 -0.63 0.08 -0.46 -1.34 0.00 0.00 175.22 172.78 1thl s TRP 115 N -3.17 3.10 -0.85 3.49 -0.11 -1.26 -0.44 118.94 119.70 1thl s TRP 115 Ca 0.07 -0.36 0.15 0.00 1.22 0.00 0.00 56.10 57.19 1thl s TRP 115 Cb -0.01 -2.25 0.70 0.00 -1.50 0.00 0.00 33.47 30.40 1thl s TRP 115 CO -0.06 -0.33 1.59 0.27 -4.62 0.00 0.00 176.95 173.80 1thl n ASN 116 N 4.91 4.75 0.00 5.86 6.94 -0.62 -4.88 115.26 132.23 1thl n ASN 116 Ca -0.16 -2.57 0.00 0.00 -0.02 0.00 0.00 54.58 51.83 1thl n ASN 116 Cb 0.51 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1thl n ASN 116 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1thl n GLY 117 N 0.88 1.80 0.00 4.83 0.00 -1.26 -4.80 105.19 106.64 1thl n GLY 117 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1thl n GLY 117 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1thl n SER 118 N 0.00 2.36 -3.83 1.61 7.64 -1.26 -5.12 113.62 115.03 1thl n SER 118 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1thl n SER 118 Cb 0.00 0.27 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 1thl n SER 118 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1thl s GLU 119 N -1.40 1.59 0.20 1.43 -1.05 -1.26 -4.76 118.70 113.45 1thl s GLU 119 Ca 0.00 -0.98 -0.09 0.00 -0.15 0.00 0.00 54.97 53.75 1thl s GLU 119 Cb 0.00 0.56 -0.07 0.00 -0.44 0.00 0.00 34.13 34.18 1thl s GLU 119 CO 0.00 -0.70 0.51 -1.64 0.95 0.00 0.00 175.26 174.37 1thl s MET 120 N -3.92 3.78 -0.03 -4.83 -1.94 -0.55 -1.59 119.30 110.23 1thl s MET 120 Ca 0.12 0.21 0.00 0.00 -1.71 0.00 0.00 55.69 54.32 1thl s MET 120 Cb -0.03 -2.73 0.03 0.00 2.01 0.00 0.00 34.83 34.10 1thl s MET 120 CO 0.03 0.38 0.00 0.08 -0.01 0.00 0.00 175.02 175.50 1thl s VAL 121 N -1.73 0.15 -0.10 -6.03 1.01 0.42 -1.64 120.40 112.48 1thl s VAL 121 Ca 0.44 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.55 1thl s VAL 121 Cb -0.12 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.02 1thl s VAL 121 CO 0.21 0.14 -0.16 -0.31 0.00 0.00 0.00 175.10 174.98 1thl s TYR 122 N 1.06 2.00 0.68 5.22 2.02 -0.42 -1.30 117.35 126.60 1thl s TYR 122 Ca -0.09 -0.90 -0.11 0.00 -0.37 0.00 0.00 57.07 55.60 1thl s TYR 122 Cb -0.13 -1.42 0.00 0.00 -0.40 0.00 0.00 41.96 40.01 1thl s TYR 122 CO -0.02 -0.44 1.07 0.20 -1.57 0.00 0.00 175.55 174.79 1thl s GLY 123 N 0.82 1.63 0.00 0.71 0.00 -0.29 -2.56 107.32 107.63 1thl s GLY 123 Ca -0.10 -0.33 0.26 0.00 0.00 0.00 0.00 44.72 44.55 1thl s GLY 123 CO 0.01 0.02 1.53 1.22 0.00 0.00 0.00 173.10 175.87 1thl n ASP 124 N -2.93 0.57 0.00 1.64 8.00 -1.21 -2.36 116.55 120.25 1thl n ASP 124 Ca 0.07 -0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1thl n ASP 124 Cb 0.57 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1thl n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1thl n GLY 125 N 1.45 -2.29 0.57 0.44 0.00 -0.18 -2.03 105.19 103.14 1thl n GLY 125 Ca 0.08 -1.47 0.12 0.00 0.00 0.00 0.00 46.02 44.75 1thl n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1thl n ASP 126 N -2.22 2.00 0.00 1.61 5.68 -1.14 -4.17 116.55 118.31 1thl n ASP 126 Ca 0.00 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.77 1thl n ASP 126 Cb 0.00 0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1thl n ASP 126 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1thl n GLY 127 N 1.34 0.58 0.51 6.12 0.00 -0.13 -4.84 105.19 108.76 1thl n GLY 127 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1thl n GLY 127 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1thl n GLN 128 N -2.00 0.00 0.10 1.61 7.27 -1.26 -4.77 117.38 118.33 1thl n GLN 128 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.84 1thl n GLN 128 Cb 0.00 -0.57 -0.15 0.00 2.41 0.00 0.00 30.24 31.93 1thl n GLN 128 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1thl h THR 129 N 0.00 1.21 -3.57 1.69 2.02 -1.94 -3.32 112.91 109.00 1thl h THR 129 Ca 0.00 -2.59 -0.11 0.00 0.77 0.00 0.00 66.41 64.48 1thl h THR 129 Cb 0.47 2.97 -0.17 0.00 -1.74 0.00 0.00 68.15 69.68 1thl h THR 129 CO 0.00 0.79 -0.39 -0.36 0.37 0.00 0.00 175.52 175.93 1thl s PHE 130 N -2.55 0.06 0.42 3.16 0.08 -1.26 -0.03 117.98 117.86 1thl s PHE 130 Ca -0.13 -0.29 0.08 0.00 0.12 0.00 0.00 56.93 56.71 1thl s PHE 130 Cb 0.04 -0.03 -0.01 0.00 -0.57 0.00 0.00 43.02 42.45 1thl s PHE 130 CO 0.88 -0.43 0.46 0.96 -0.10 0.00 0.00 175.22 176.99 1thl s ILE 131 N -2.60 2.80 -0.16 0.64 -4.36 -0.42 -0.95 121.20 116.15 1thl s ILE 131 Ca -0.05 -1.19 -0.40 0.00 -0.26 0.00 0.00 60.65 58.75 1thl s ILE 131 Cb -0.01 -3.00 -0.17 0.00 1.25 0.00 0.00 42.46 40.53 1thl s ILE 131 CO -0.04 0.00 1.51 -2.65 0.24 0.00 0.00 174.94 174.00 1thl n PRO 132 N -1.68 0.83 0.27 0.37 -0.02 -0.86 -4.41 135.00 129.50 1thl n PRO 132 Ca 0.05 0.30 0.14 0.00 -2.02 0.00 0.00 63.50 61.98 1thl n PRO 132 Cb 0.61 -1.92 0.78 0.00 -0.02 0.00 0.00 33.50 32.94 1thl n PRO 132 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1thl h LEU 133 N 5.49 0.00 0.00 2.45 4.07 -1.74 -2.45 115.31 123.13 1thl h LEU 133 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1thl h LEU 133 Cb 1.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.09 1thl h LEU 133 CO 0.86 0.09 0.00 -1.54 -1.08 0.00 0.00 178.44 176.78 1thl n SER 134 N -3.59 0.00 0.00 -0.43 3.41 -1.26 -2.87 113.62 108.88 1thl n SER 134 Ca -0.02 0.01 0.11 0.00 -0.26 0.00 0.00 58.87 58.71 1thl n SER 134 Cb 0.21 -0.27 0.50 0.00 -0.26 0.00 0.00 64.21 64.39 1thl n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1thl n GLY 135 N 0.11 -1.17 3.31 5.00 0.00 -0.92 -4.26 105.19 107.26 1thl n GLY 135 Ca 0.08 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1thl n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1thl s GLY 136 N -2.85 1.91 0.46 -0.02 0.00 -1.14 -4.86 107.32 100.82 1thl s GLY 136 Ca 0.14 -1.83 0.12 0.00 0.00 0.00 0.00 44.72 43.15 1thl s GLY 136 CO 0.38 0.85 2.07 1.19 0.00 0.00 0.00 173.10 177.59 1thl h ILE 137 N 6.03 1.01 -0.27 0.90 2.10 -1.90 -1.93 117.51 123.46 1thl h ILE 137 Ca -0.24 -0.11 -0.09 0.00 1.08 0.00 0.00 64.86 65.51 1thl h ILE 137 Cb 1.09 0.67 -0.01 0.00 -1.09 0.00 0.00 36.82 37.47 1thl h ILE 137 CO 0.67 0.06 -0.20 -2.24 -1.08 0.00 0.00 178.15 175.35 1thl h ASP 138 N 0.31 0.49 0.14 2.19 2.03 -1.94 -1.82 116.42 117.82 1thl h ASP 138 Ca 0.13 -0.15 -0.01 0.00 -0.73 0.00 0.00 57.03 56.28 1thl h ASP 138 Cb 0.14 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 1thl h ASP 138 CO -0.03 0.70 -0.07 0.58 -1.03 0.00 0.00 179.24 179.39 1thl h VAL 139 N 0.44 0.94 -0.26 4.15 2.07 -1.69 0.31 116.25 122.21 1thl h VAL 139 Ca 0.07 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.30 1thl h VAL 139 Cb 0.60 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1thl h VAL 139 CO 0.04 0.08 -0.02 0.58 0.02 0.00 0.00 177.57 178.27 1thl h VAL 140 N -0.35 0.79 0.00 2.57 2.07 -1.36 -0.77 116.25 119.20 1thl h VAL 140 Ca -0.02 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 1thl h VAL 140 Cb 0.28 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1thl h VAL 140 CO 0.03 0.01 -0.48 0.00 0.02 0.00 0.00 177.57 177.15 1thl h ALA 141 N 1.24 1.11 -0.46 1.67 0.00 -1.35 -1.01 119.26 120.45 1thl h ALA 141 Ca 0.12 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1thl h ALA 141 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1thl h ALA 141 CO -0.23 0.60 0.01 1.25 0.00 0.00 0.00 179.25 180.89 1thl h HIS 142 N 0.00 0.88 -0.27 0.00 6.17 -0.48 -1.21 115.15 120.24 1thl h HIS 142 Ca -0.00 -0.15 -0.03 0.00 0.71 0.00 0.00 60.37 60.90 1thl h HIS 142 Cb 0.90 -0.23 -0.01 0.00 2.52 0.00 0.00 27.41 30.59 1thl h HIS 142 CO 0.00 0.84 0.04 0.93 0.71 0.00 0.00 177.93 180.46 1thl h GLU 143 N 0.66 0.44 0.00 5.26 4.39 -0.73 -2.53 114.58 122.07 1thl h GLU 143 Ca 0.13 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 1thl h GLU 143 Cb 0.48 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1thl h GLU 143 CO 0.02 0.56 -0.37 1.25 -1.16 0.00 0.00 179.01 179.32 1thl h LEU 144 N 0.25 0.00 -1.26 1.33 7.12 -1.16 -2.07 115.31 119.53 1thl h LEU 144 Ca 0.08 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 58.01 1thl h LEU 144 Cb 0.33 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.45 1thl h LEU 144 CO 0.01 0.37 -0.37 0.74 -0.13 0.00 0.00 178.44 179.05 1thl h THR 145 N 0.00 1.23 -0.93 1.05 2.02 -0.97 -2.13 112.91 113.17 1thl h THR 145 Ca -0.00 -1.28 0.06 0.00 0.77 0.00 0.00 66.41 65.95 1thl h THR 145 Cb 0.73 1.70 -0.06 0.00 -1.74 0.00 0.00 68.15 68.77 1thl h THR 145 CO 0.05 0.36 0.61 0.45 0.37 0.00 0.00 175.52 177.36 1thl h HIS 146 N 0.00 1.10 -0.44 3.16 3.86 -0.95 -1.05 115.15 120.84 1thl h HIS 146 Ca -0.00 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 1thl h HIS 146 Cb 0.67 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 1thl h HIS 146 CO 0.00 0.60 0.06 0.00 0.86 0.00 0.00 177.93 179.45 1thl h ALA 147 N 1.48 0.58 -0.11 2.45 0.00 -1.42 -1.04 119.26 121.20 1thl h ALA 147 Ca 0.39 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1thl h ALA 147 Cb 0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1thl h ALA 147 CO -0.14 0.31 -0.11 0.28 0.00 0.00 0.00 179.25 179.59 1thl h VAL 148 N 0.58 0.69 -0.55 0.00 2.07 -1.05 -2.26 116.25 115.74 1thl h VAL 148 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 1thl h VAL 148 Cb 0.40 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1thl h VAL 148 CO 0.01 0.00 0.36 0.74 0.02 0.00 0.00 177.57 178.70 1thl h THR 149 N -0.14 1.12 -0.95 2.57 2.02 -1.02 -2.10 112.91 114.41 1thl h THR 149 Ca 0.08 -0.25 0.17 0.00 0.77 0.00 0.00 66.41 67.18 1thl h THR 149 Cb 0.25 0.33 -0.08 0.00 -1.74 0.00 0.00 68.15 66.91 1thl h THR 149 CO -0.19 0.13 0.60 0.44 0.37 0.00 0.00 175.52 176.87 1thl h ASP 150 N 0.72 0.68 1.14 4.18 3.32 -0.95 0.52 116.42 126.03 1thl h ASP 150 Ca 0.21 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1thl h ASP 150 Cb -0.05 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1thl h ASP 150 CO -0.06 0.30 -0.35 -1.22 -1.72 0.00 0.00 179.24 176.19 1thl n TYR 151 N -4.62 0.73 0.00 4.55 4.02 -0.87 -4.42 117.16 116.55 1thl n TYR 151 Ca 0.20 0.21 0.00 0.00 -0.01 0.00 0.00 57.90 58.30 1thl n TYR 151 Cb 0.54 -0.79 0.00 0.00 -0.02 0.00 0.00 39.34 39.07 1thl n TYR 151 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1thl n THR 152 N -2.18 0.00 -0.36 -0.72 -2.24 -0.84 -4.91 114.28 103.02 1thl n THR 152 Ca 0.04 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.81 1thl n THR 152 Cb 0.44 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.78 1thl n THR 152 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1thl h ALA 153 N -0.25 1.25 -1.22 6.98 0.00 -1.53 -3.47 119.26 121.02 1thl h ALA 153 Ca 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1thl h ALA 153 Cb 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1thl h ALA 153 CO 0.00 0.60 -0.21 0.41 0.00 0.00 0.00 179.25 180.05 1thl n GLY 154 N -1.37 0.06 3.69 0.00 0.00 0.18 -2.20 105.19 105.54 1thl n GLY 154 Ca 0.12 -0.54 -0.54 0.00 0.00 0.00 0.00 46.02 45.06 1thl n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1thl n LEU 155 N -1.20 2.68 -4.76 0.99 4.77 -1.26 -4.35 117.00 113.86 1thl n LEU 155 Ca -0.09 1.05 -0.40 0.00 -0.03 0.00 0.00 56.01 56.54 1thl n LEU 155 Cb 0.57 -1.23 0.02 0.00 -2.33 0.00 0.00 43.42 40.45 1thl n LEU 155 CO 0.12 -0.37 1.04 -0.63 -1.33 0.00 0.00 177.39 176.22 1thl s ILE 156 N 3.29 2.18 -1.33 -0.08 1.01 0.03 -4.83 121.20 121.49 1thl s ILE 156 Ca 0.94 0.16 -0.08 0.00 0.00 0.00 0.00 60.65 61.68 1thl s ILE 156 Cb -0.92 -3.09 0.13 0.00 0.01 0.00 0.00 42.46 38.58 1thl s ILE 156 CO 0.58 0.02 2.20 0.00 0.00 0.00 0.00 174.94 177.74 1thl n TYR 157 N -0.22 2.74 -3.54 3.97 9.36 -1.26 -2.00 117.16 126.21 1thl n TYR 157 Ca 0.05 -2.83 -0.11 0.00 3.32 0.00 0.00 57.90 58.34 1thl n TYR 157 Cb 0.42 -1.94 -0.04 0.00 -0.63 0.00 0.00 39.34 37.16 1thl n TYR 157 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 1thl s GLN 158 N -0.22 0.76 4.54 2.98 -2.07 -1.26 -4.83 119.66 119.56 1thl s GLN 158 Ca 0.49 -0.01 0.00 0.00 -1.82 0.00 0.00 55.36 54.02 1thl s GLN 158 Cb 0.15 0.36 0.00 0.00 -1.09 0.00 0.00 33.01 32.42 1thl s GLN 158 CO -0.05 -0.28 0.00 0.09 -1.32 0.00 0.00 175.29 173.73 1thl n ASN 159 N 0.39 0.00 -0.15 12.60 3.02 -0.70 -1.80 115.26 128.61 1thl n ASN 159 Ca -0.11 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.33 1thl n ASN 159 Cb 0.59 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.76 1thl n ASN 159 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1thl h GLU 160 N 0.00 0.82 -0.27 3.52 5.08 -1.90 -1.29 114.58 120.53 1thl h GLU 160 Ca 0.00 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1thl h GLU 160 Cb 0.00 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1thl h GLU 160 CO 0.00 0.90 -0.01 0.66 -1.00 0.00 0.00 179.01 179.56 1thl h SER 161 N 0.66 0.37 0.40 1.42 4.64 -1.59 -1.30 113.55 118.15 1thl h SER 161 Ca 0.12 -0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 61.22 1thl h SER 161 Cb 0.56 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1thl h SER 161 CO 0.03 0.44 -0.69 1.23 -0.87 0.00 0.00 176.83 176.97 1thl h GLY 162 N 0.73 0.28 2.00 -0.77 0.00 -0.72 -1.35 103.07 103.24 1thl h GLY 162 Ca 0.09 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1thl h GLY 162 CO 0.01 0.35 -0.51 0.00 0.00 0.00 0.00 176.54 176.39 1thl h ALA 163 N 1.10 1.03 -0.27 3.60 0.00 -0.70 -1.43 119.26 122.58 1thl h ALA 163 Ca -0.02 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1thl h ALA 163 Cb 1.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1thl h ALA 163 CO 0.11 0.63 -0.07 0.82 0.00 0.00 0.00 179.25 180.74 1thl h ILE 164 N 0.00 1.28 -0.32 0.00 2.04 -1.06 -1.10 117.51 118.34 1thl h ILE 164 Ca -0.01 -1.11 0.07 0.00 1.00 0.00 0.00 64.86 64.82 1thl h ILE 164 Cb 0.98 1.44 -0.07 0.00 -0.74 0.00 0.00 36.82 38.43 1thl h ILE 164 CO 0.07 0.35 -0.16 -1.13 0.00 0.00 0.00 178.15 177.28 1thl h ASN 165 N 0.28 -0.52 -0.41 1.72 -0.73 -1.05 -0.38 115.58 114.49 1thl h ASN 165 Ca 0.07 0.12 0.01 0.00 1.87 0.00 0.00 56.30 58.38 1thl h ASN 165 Cb 0.56 0.29 -0.03 0.00 0.27 0.00 0.00 38.32 39.41 1thl h ASN 165 CO 0.03 -0.19 0.25 -0.33 -0.37 0.00 0.00 177.43 176.82 1thl h GLU 166 N -0.10 0.49 -0.85 6.67 4.39 -1.15 -2.70 114.58 121.32 1thl h GLU 166 Ca 0.17 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1thl h GLU 166 Cb 0.36 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 1thl h GLU 166 CO -0.39 0.32 0.54 0.00 -1.16 0.00 0.00 179.01 178.32 1thl h ALA 167 N 1.17 1.08 -0.33 3.43 0.00 -0.62 -1.28 119.26 122.71 1thl h ALA 167 Ca 0.16 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1thl h ALA 167 Cb -0.01 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.37 1thl h ALA 167 CO -0.06 0.52 -0.07 0.82 0.00 0.00 0.00 179.25 180.45 1thl h ILE 168 N 1.16 0.68 -0.63 0.00 2.04 -0.95 0.34 117.51 120.15 1thl h ILE 168 Ca 0.31 -0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.10 1thl h ILE 168 Cb -0.09 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1thl h ILE 168 CO -0.06 0.00 0.15 0.28 0.00 0.00 0.00 178.15 178.52 1thl h SER 169 N 0.01 0.97 -0.40 1.72 0.02 -1.12 -0.87 113.55 113.88 1thl h SER 169 Ca 0.16 -0.24 -0.15 0.00 -0.84 0.00 0.00 61.79 60.72 1thl h SER 169 Cb 0.24 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1thl h SER 169 CO -0.33 0.95 -0.34 0.44 -1.14 0.00 0.00 176.83 176.41 1thl h ASP 170 N 0.94 1.00 0.22 3.07 3.32 -0.78 0.14 116.42 124.33 1thl h ASP 170 Ca 0.20 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1thl h ASP 170 Cb 0.36 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1thl h ASP 170 CO 0.00 1.23 -0.11 0.40 -1.72 0.00 0.00 179.24 179.04 1thl h ILE 171 N 0.78 0.83 -0.01 0.35 2.04 -0.21 -1.29 117.51 120.00 1thl h ILE 171 Ca 0.08 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 1thl h ILE 171 Cb 0.93 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1thl h ILE 171 CO 0.09 0.06 -0.46 -0.26 0.00 0.00 0.00 178.15 177.57 1thl h PHE 172 N -0.44 0.03 -0.44 1.37 0.04 -1.21 -0.87 116.94 115.43 1thl h PHE 172 Ca -0.03 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.65 1thl h PHE 172 Cb 0.33 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1thl h PHE 172 CO -0.02 0.49 -0.06 0.78 -0.60 0.00 0.00 178.31 178.89 1thl h GLY 173 N 1.39 0.81 1.03 -1.45 0.00 -0.81 -1.89 103.07 102.16 1thl h GLY 173 Ca -0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 1thl h GLY 173 CO 0.06 0.53 -0.24 -0.84 0.00 0.00 0.00 176.54 176.05 1thl h THR 174 N 0.69 1.28 -0.55 4.70 2.02 -0.95 -1.90 112.91 118.21 1thl h THR 174 Ca 0.13 -1.40 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 1thl h THR 174 Cb 0.52 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1thl h THR 174 CO 0.03 0.46 0.17 -0.07 0.37 0.00 0.00 175.52 176.49 1thl h LEU 175 N 0.62 0.76 -0.67 2.58 3.38 -0.96 -1.54 115.31 119.47 1thl h LEU 175 Ca 0.08 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1thl h LEU 175 Cb 0.81 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1thl h LEU 175 CO 0.07 0.72 0.14 0.58 0.09 0.00 0.00 178.44 180.03 1thl h VAL 176 N 0.80 1.26 -0.79 1.22 2.07 -1.30 0.19 116.25 119.70 1thl h VAL 176 Ca 0.18 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.66 1thl h VAL 176 Cb 0.23 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1thl h VAL 176 CO -0.01 0.38 0.31 -0.08 0.02 0.00 0.00 177.57 178.19 1thl h GLU 177 N 1.02 1.18 -0.31 1.57 4.81 -0.79 -1.22 114.58 120.85 1thl h GLU 177 Ca 0.21 -0.22 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 1thl h GLU 177 Cb 0.41 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1thl h GLU 177 CO 0.01 0.96 -0.38 0.74 -0.73 0.00 0.00 179.01 179.61 1thl h PHE 178 N 1.15 0.85 -0.56 0.92 0.04 -1.04 -1.90 116.94 116.40 1thl h PHE 178 Ca 0.26 -0.24 0.08 0.00 2.80 0.00 0.00 57.97 60.87 1thl h PHE 178 Cb 0.22 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 38.12 1thl h PHE 178 CO 0.02 0.99 0.20 -0.92 -0.60 0.00 0.00 178.31 178.00 1thl h TYR 179 N 0.59 0.35 -0.00 -0.55 3.20 -0.19 -1.55 116.97 118.82 1thl h TYR 179 Ca 0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1thl h TYR 179 Cb 0.92 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1thl h TYR 179 CO 0.05 0.10 -0.22 0.00 -1.64 0.00 0.00 178.16 176.44 1thl n ALA 180 N -2.45 2.94 -2.60 1.82 0.00 -0.50 -4.91 120.51 114.80 1thl n ALA 180 Ca 0.07 -0.26 -0.19 0.00 0.00 0.00 0.00 53.44 53.06 1thl n ALA 180 Cb 0.24 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1thl n ALA 180 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1thl n ASN 181 N -1.27 -5.31 -4.50 0.00 5.15 -0.58 -4.92 115.26 103.84 1thl n ASN 181 Ca 0.09 -0.04 -0.43 0.00 -0.60 0.00 0.00 54.58 53.60 1thl n ASN 181 Cb 0.32 -4.40 -0.01 0.00 -0.53 0.00 0.00 39.78 35.15 1thl n ASN 181 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1thl s LYS 182 N -5.24 3.86 -0.96 1.20 2.36 -1.15 -4.62 119.74 115.19 1thl s LYS 182 Ca 0.09 -2.03 -0.22 0.00 -2.55 0.00 0.00 55.97 51.26 1thl s LYS 182 Cb -0.04 -5.16 0.03 0.00 -1.05 0.00 0.00 37.83 31.61 1thl s LYS 182 CO 0.11 -1.93 0.57 0.09 1.55 0.00 0.00 175.35 175.75 1thl n ASN 183 N 6.90 -3.78 -4.78 1.43 3.02 -1.26 -4.85 115.26 111.93 1thl n ASN 183 Ca 0.35 -1.07 -0.37 0.00 -0.03 0.00 0.00 54.58 53.46 1thl n ASN 183 Cb 0.46 -1.39 -0.04 0.00 -0.61 0.00 0.00 39.78 38.20 1thl n ASN 183 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1thl s PRO 184 N -6.40 4.23 0.26 3.52 0.04 -1.26 -5.04 135.00 130.35 1thl s PRO 184 Ca 0.30 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 1thl s PRO 184 Cb -0.17 -2.61 0.01 0.00 0.04 0.00 0.00 34.50 31.77 1thl s PRO 184 CO 0.84 -0.09 0.39 -0.40 0.04 0.00 0.00 177.00 177.78 1thl n ASP 185 N 0.07 -1.10 -1.34 6.66 5.68 -1.26 -5.03 116.55 120.24 1thl n ASP 185 Ca 0.04 -2.36 -0.04 0.00 -0.50 0.00 0.00 54.79 51.93 1thl n ASP 185 Cb 0.49 2.00 0.22 0.00 -1.14 0.00 0.00 41.12 42.69 1thl n ASP 185 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1thl n TRP 186 N -0.42 1.47 -4.08 2.11 7.02 -1.26 -4.93 117.44 117.35 1thl n TRP 186 Ca -0.01 -1.44 -0.27 0.00 -1.02 0.00 0.00 57.50 54.77 1thl n TRP 186 Cb 0.43 -0.54 -0.06 0.00 -2.42 0.00 0.00 31.31 28.73 1thl n TRP 186 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1thl s GLU 187 N -3.14 2.88 -0.19 -0.99 0.41 -1.26 -0.18 118.70 116.23 1thl s GLU 187 Ca 0.47 -0.86 -0.04 0.00 -0.41 0.00 0.00 54.97 54.12 1thl s GLU 187 Cb 0.41 -2.64 -0.02 0.00 -1.78 0.00 0.00 34.13 30.09 1thl s GLU 187 CO 0.05 0.49 -0.02 0.42 -0.49 0.00 0.00 175.26 175.71 1thl s ILE 188 N -1.72 3.82 -1.20 -1.63 -1.09 -0.34 -4.68 121.20 114.37 1thl s ILE 188 Ca 0.31 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.36 1thl s ILE 188 Cb -0.10 -2.71 0.00 0.00 -1.58 0.00 0.00 42.46 38.07 1thl s ILE 188 CO 0.23 0.45 0.00 0.61 -1.23 0.00 0.00 174.94 175.00 1thl n GLY 189 N 4.07 1.16 0.35 6.18 0.00 -1.26 -1.01 105.19 114.69 1thl n GLY 189 Ca -0.17 -0.49 0.15 0.00 0.00 0.00 0.00 46.02 45.51 1thl n GLY 189 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1thl h GLU 190 N 0.00 0.14 0.00 1.61 9.09 -1.83 -2.00 114.58 121.58 1thl h GLU 190 Ca -0.24 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.17 1thl h GLU 190 Cb 0.78 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.85 1thl h GLU 190 CO 0.34 0.09 0.00 -0.44 0.05 0.00 0.00 179.01 179.05 1thl h ASP 191 N 0.14 0.00 0.00 3.06 3.32 -1.92 -3.35 116.42 117.67 1thl h ASP 191 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1thl h ASP 191 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1thl h ASP 191 CO -0.03 0.00 -0.39 1.33 -1.72 0.00 0.00 179.24 178.43 1thl n VAL 192 N -2.95 0.00 -3.14 -1.35 0.24 -0.81 -4.90 118.33 105.42 1thl n VAL 192 Ca 0.03 -0.34 -0.39 0.00 -2.04 0.00 0.00 64.34 61.60 1thl n VAL 192 Cb 0.42 0.86 -0.05 0.00 -1.47 0.00 0.00 33.84 33.59 1thl n VAL 192 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1thl s TYR 193 N -1.52 3.71 -0.57 6.34 5.04 -0.86 -1.30 117.35 128.19 1thl s TYR 193 Ca 0.01 1.30 -0.17 0.00 -2.44 0.00 0.00 57.07 55.77 1thl s TYR 193 Cb 0.02 -2.67 0.02 0.00 0.35 0.00 0.00 41.96 39.69 1thl s TYR 193 CO 0.13 0.35 0.56 0.25 -1.34 0.00 0.00 175.55 175.49 1thl n THR 194 N 2.64 -3.07 0.10 4.34 -2.24 0.96 -4.76 114.28 112.24 1thl n THR 194 Ca -0.06 0.02 0.20 0.00 -2.27 0.00 0.00 64.05 61.94 1thl n THR 194 Cb 0.51 -2.78 0.76 0.00 -2.10 0.00 0.00 70.33 66.72 1thl n THR 194 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1thl h PRO 195 N 0.79 0.00 -0.26 -0.78 0.10 -1.82 0.13 132.00 130.17 1thl h PRO 195 Ca -0.54 0.00 -0.07 0.00 0.10 0.00 0.00 66.00 65.49 1thl h PRO 195 Cb 1.24 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.34 1thl h PRO 195 CO 0.27 0.00 -0.10 0.78 0.10 0.00 0.00 178.00 179.05 1thl h GLY 196 N 0.00 0.57 -6.67 -0.55 0.00 -1.86 -3.43 103.07 91.13 1thl h GLY 196 Ca 0.18 -0.50 -0.63 0.00 0.00 0.00 0.00 47.33 46.38 1thl h GLY 196 CO -0.00 0.46 -0.61 -1.50 0.00 0.00 0.00 176.54 174.89 1thl s ILE 197 N -4.66 4.45 0.30 2.60 1.10 0.03 -5.08 121.20 119.94 1thl s ILE 197 Ca -0.13 -0.14 -0.17 0.00 -0.51 0.00 0.00 60.65 59.69 1thl s ILE 197 Cb 0.08 -3.03 -0.09 0.00 0.15 0.00 0.00 42.46 39.56 1thl s ILE 197 CO 0.78 0.41 0.75 -0.55 -2.11 0.00 0.00 174.94 174.21 1thl s SER 198 N 0.96 6.90 0.00 4.50 0.15 -1.26 -4.26 113.70 120.68 1thl s SER 198 Ca 0.03 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.05 1thl s SER 198 Cb -0.14 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1thl s SER 198 CO 0.03 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1thl n GLY 199 N 0.00 0.95 3.99 9.45 0.00 -1.26 -5.05 105.19 113.28 1thl n GLY 199 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1thl n GLY 199 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1thl s ASP 200 N -2.66 4.90 0.33 1.61 -4.77 -1.26 -5.14 116.67 109.68 1thl s ASP 200 Ca 0.00 -1.02 -0.17 0.00 -3.30 0.00 0.00 52.55 48.05 1thl s ASP 200 Cb 0.00 0.41 0.07 0.00 -1.09 0.00 0.00 42.92 42.30 1thl s ASP 200 CO 0.00 -1.29 0.88 -0.94 0.70 0.00 0.00 175.17 174.52 1thl s SER 201 N -4.54 0.03 0.02 2.11 1.04 -1.26 -4.56 113.70 106.54 1thl s SER 201 Ca 0.52 -1.04 -0.20 0.00 0.48 0.00 0.00 55.95 55.71 1thl s SER 201 Cb -0.04 0.75 -0.19 0.00 0.10 0.00 0.00 66.02 66.63 1thl s SER 201 CO 0.33 -1.49 1.19 -0.07 0.98 0.00 0.00 173.24 174.17 1thl h LEU 202 N 2.00 0.50 -7.61 2.42 4.07 -1.34 -3.47 115.31 111.87 1thl h LEU 202 Ca -0.32 -0.66 -0.12 0.00 0.08 0.00 0.00 57.88 56.86 1thl h LEU 202 Cb 1.24 -0.15 -0.19 0.00 1.08 0.00 0.00 40.66 42.64 1thl h LEU 202 CO 0.41 1.08 -0.33 -0.13 -1.08 0.00 0.00 178.44 178.38 1thl s ARG 203 N -3.60 0.66 -0.10 1.13 0.52 -1.23 -5.00 118.95 111.33 1thl s ARG 203 Ca -0.14 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.73 1thl s ARG 203 Cb 0.04 0.28 -0.01 0.00 0.52 0.00 0.00 34.95 35.78 1thl s ARG 203 CO 0.80 -0.19 -0.16 0.45 0.02 0.00 0.00 175.30 176.22 1thl s SER 204 N -1.59 3.76 -0.05 0.23 0.15 -1.26 -1.19 113.70 113.75 1thl s SER 204 Ca -0.11 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1thl s SER 204 Cb -0.04 -1.37 -0.26 0.00 -1.71 0.00 0.00 66.02 62.64 1thl s SER 204 CO 0.01 0.20 0.66 0.24 1.20 0.00 0.00 173.24 175.55 1thl h MET 205 N 6.41 0.18 -0.47 5.44 0.00 -0.91 -2.77 114.93 122.81 1thl h MET 205 Ca -0.28 -0.31 -0.09 0.00 0.00 0.00 0.00 59.70 59.02 1thl h MET 205 Cb 1.20 0.11 -0.02 0.00 0.00 0.00 0.00 31.60 32.90 1thl h MET 205 CO 0.52 0.97 -0.07 0.66 0.00 0.00 0.00 176.91 178.99 1thl h SER 206 N 0.05 0.83 -1.86 1.22 4.64 -1.86 -3.31 113.55 113.25 1thl h SER 206 Ca -0.31 -0.24 -0.46 0.00 -0.47 0.00 0.00 61.79 60.32 1thl h SER 206 Cb 2.02 -0.22 -0.31 0.00 -0.31 0.00 0.00 62.40 63.57 1thl h SER 206 CO 0.12 0.93 -0.85 -0.67 -0.87 0.00 0.00 176.83 175.49 1thl n ASP 207 N -4.17 -1.30 -0.06 4.97 2.03 -1.25 -5.00 116.55 111.76 1thl n ASP 207 Ca 0.02 -2.59 0.23 0.00 0.52 0.00 0.00 54.79 52.96 1thl n ASP 207 Cb 0.35 0.15 0.69 0.00 -0.72 0.00 0.00 41.12 41.59 1thl n ASP 207 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1thl h PRO 208 N 5.21 0.02 0.00 -0.67 0.11 -1.68 -2.14 132.00 132.84 1thl h PRO 208 Ca 0.17 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1thl h PRO 208 Cb 0.96 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1thl h PRO 208 CO 0.29 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.09 1thl h ALA 209 N 1.67 1.00 -0.94 -0.75 0.00 -1.85 -2.34 119.26 116.06 1thl h ALA 209 Ca 0.31 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.37 1thl h ALA 209 Cb 1.23 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1thl h ALA 209 CO -0.01 0.00 0.60 -0.22 0.00 0.00 0.00 179.25 179.62 1thl h LYS 210 N 0.00 0.73 -0.31 0.00 3.64 -1.69 -0.58 116.57 118.37 1thl h LYS 210 Ca 0.00 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1thl h LYS 210 Cb 0.37 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1thl h LYS 210 CO 0.00 0.48 0.00 0.66 -2.27 0.00 0.00 179.45 178.33 1thl n TYR 211 N -4.60 1.06 -0.99 1.91 4.01 -1.13 -4.97 117.16 112.45 1thl n TYR 211 Ca 0.19 -1.08 0.00 0.00 -0.16 0.00 0.00 57.90 56.85 1thl n TYR 211 Cb 0.47 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1thl n TYR 211 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1thl n GLY 212 N -0.68 0.40 3.92 2.72 0.00 -0.22 -5.04 105.19 106.29 1thl n GLY 212 Ca 0.26 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 1thl n GLY 212 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1thl s ASP 213 N -2.88 6.40 0.58 1.61 1.01 -0.89 -4.94 116.67 117.56 1thl s ASP 213 Ca 0.00 0.43 -0.19 0.00 0.71 0.00 0.00 52.55 53.50 1thl s ASP 213 Cb 0.00 -2.02 -0.04 0.00 1.01 0.00 0.00 42.92 41.87 1thl s ASP 213 CO 0.00 -0.03 1.18 -2.16 0.21 0.00 0.00 175.17 174.37 1thl s PRO 214 N -3.21 3.07 -0.02 8.23 0.04 -1.26 -3.11 135.00 138.73 1thl s PRO 214 Ca 0.39 1.74 0.03 0.00 0.04 0.00 0.00 61.00 63.20 1thl s PRO 214 Cb -0.11 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.52 1thl s PRO 214 CO 0.28 -1.11 0.89 -0.40 0.04 0.00 0.00 177.00 176.71 1thl n ASP 215 N -1.56 1.35 -3.71 6.66 5.68 -1.26 -2.89 116.55 120.82 1thl n ASP 215 Ca 0.13 -1.91 -0.14 0.00 -0.50 0.00 0.00 54.79 52.36 1thl n ASP 215 Cb 0.50 -0.09 -0.08 0.00 -1.14 0.00 0.00 41.12 40.31 1thl n ASP 215 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1thl s HIS 216 N -0.95 -0.35 0.46 2.11 5.04 -1.26 -4.74 115.29 115.59 1thl s HIS 216 Ca 0.05 0.68 0.18 0.00 -1.54 0.00 0.00 55.06 54.43 1thl s HIS 216 Cb 0.05 0.17 1.16 0.00 0.04 0.00 0.00 32.58 34.00 1thl s HIS 216 CO 0.00 -0.38 2.03 -0.92 -2.34 0.00 0.00 174.74 173.14 1thl h TYR 217 N 4.17 0.00 0.00 3.88 3.20 -0.47 -1.28 116.97 126.48 1thl h TYR 217 Ca -0.28 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.58 1thl h TYR 217 Cb 1.17 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.44 1thl h TYR 217 CO 0.46 0.15 -0.02 0.66 -1.64 0.00 0.00 178.16 177.77 1thl h SER 218 N 0.00 0.00 -0.52 -2.11 4.64 -1.88 -2.45 113.55 111.22 1thl h SER 218 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1thl h SER 218 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1thl h SER 218 CO 0.02 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 1thl n LYS 219 N -3.28 2.59 -1.54 4.77 5.02 -0.48 -5.02 118.16 120.22 1thl n LYS 219 Ca -0.02 -2.35 -0.49 0.00 -2.02 0.00 0.00 58.31 53.43 1thl n LYS 219 Cb 0.15 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 1thl n LYS 219 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1thl n ARG 220 N 1.30 0.87 -2.84 1.97 0.63 -0.93 -4.66 116.66 113.01 1thl n ARG 220 Ca 0.19 0.31 -0.41 0.00 -0.92 0.00 0.00 57.85 57.02 1thl n ARG 220 Cb 0.56 -1.68 -0.04 0.00 0.45 0.00 0.00 32.46 31.75 1thl n ARG 220 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1thl s TYR 221 N -0.52 3.61 -0.63 -0.14 5.04 -1.26 -4.96 117.35 118.49 1thl s TYR 221 Ca 0.70 1.51 0.06 0.00 -2.44 0.00 0.00 57.07 56.90 1thl s TYR 221 Cb -0.87 -3.00 0.09 0.00 0.35 0.00 0.00 41.96 38.52 1thl s TYR 221 CO 0.55 0.01 0.86 0.25 -1.34 0.00 0.00 175.55 175.87 1thl n THR 222 N 3.92 0.38 -0.25 4.34 -2.24 -1.26 -4.82 114.28 114.36 1thl n THR 222 Ca 0.03 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1thl n THR 222 Cb 0.51 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1thl n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1thl n GLY 223 N 0.21 -1.27 0.00 3.38 0.00 -1.26 -5.04 105.19 101.22 1thl n GLY 223 Ca 0.04 -1.57 0.05 0.00 0.00 0.00 0.00 46.02 44.54 1thl n GLY 223 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1thl n THR 224 N -0.74 0.00 -1.47 2.61 -2.24 -1.26 -4.10 114.28 107.08 1thl n THR 224 Ca 0.00 -0.24 -0.30 0.00 -2.27 0.00 0.00 64.05 61.24 1thl n THR 224 Cb 0.00 0.76 0.10 0.00 -2.10 0.00 0.00 70.33 69.08 1thl n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1thl s GLN 225 N -2.30 1.99 -1.42 -0.78 -2.07 -1.26 -2.70 119.66 111.11 1thl s GLN 225 Ca 0.02 0.72 -0.10 0.00 -1.82 0.00 0.00 55.36 54.18 1thl s GLN 225 Cb 0.08 -1.90 0.04 0.00 -1.09 0.00 0.00 33.01 30.14 1thl s GLN 225 CO 0.47 -1.71 1.06 -3.47 -1.32 0.00 0.00 175.29 170.32 1thl n ASP 226 N -3.50 -5.10 -3.39 12.60 2.03 -1.26 0.06 116.55 117.99 1thl n ASP 226 Ca 0.07 -0.67 -0.24 0.00 0.52 0.00 0.00 54.79 54.48 1thl n ASP 226 Cb 0.56 -4.49 0.06 0.00 -0.72 0.00 0.00 41.12 36.52 1thl n ASP 226 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1thl n ASN 227 N -2.95 -6.09 -0.00 1.67 5.03 -1.25 -0.74 115.26 110.92 1thl n ASN 227 Ca -0.02 -0.45 -0.00 0.00 0.87 0.00 0.00 54.58 54.98 1thl n ASN 227 Cb 0.56 -4.85 -0.00 0.00 -1.02 0.00 0.00 39.78 34.47 1thl n ASN 227 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1thl n GLY 228 N -1.77 0.37 2.29 7.41 0.00 0.11 -1.72 105.19 111.88 1thl n GLY 228 Ca -0.04 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1thl n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1thl n GLY 229 N -1.20 0.25 0.25 -0.02 0.00 0.77 -4.24 105.19 101.01 1thl n GLY 229 Ca -0.00 -0.26 0.03 0.00 0.00 0.00 0.00 46.02 45.79 1thl n GLY 229 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1thl h VAL 230 N -1.06 1.15 0.00 1.61 -1.51 -1.12 -0.40 116.25 114.93 1thl h VAL 230 Ca -0.25 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 1thl h VAL 230 Cb 1.15 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 1thl h VAL 230 CO 0.23 0.20 -0.19 1.41 -1.23 0.00 0.00 177.57 177.99 1thl n HIS 231 N -4.33 0.01 -0.06 5.19 8.25 -1.26 -3.43 115.22 119.60 1thl n HIS 231 Ca -0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 1thl n HIS 231 Cb 0.22 -0.41 -0.01 0.00 1.12 0.00 0.00 29.99 30.90 1thl n HIS 231 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1thl n ILE 232 N -1.51 1.06 0.38 1.59 5.41 -0.68 -4.53 119.36 121.08 1thl n ILE 232 Ca 0.06 0.28 0.10 0.00 1.00 0.00 0.00 62.75 64.19 1thl n ILE 232 Cb 0.34 -2.15 0.44 0.00 -0.71 0.00 0.00 39.64 37.56 1thl n ILE 232 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1thl n ASN 233 N -3.98 0.49 0.28 4.38 3.02 -0.25 -1.39 115.26 117.81 1thl n ASN 233 Ca -0.07 0.63 0.19 0.00 -0.03 0.00 0.00 54.58 55.31 1thl n ASN 233 Cb 0.25 -0.73 0.92 0.00 -0.61 0.00 0.00 39.78 39.60 1thl n ASN 233 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1thl h SER 234 N 0.00 0.00 0.27 6.41 4.64 -1.74 -2.05 113.55 121.08 1thl h SER 234 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1thl h SER 234 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1thl h SER 234 CO 0.00 0.00 -0.21 1.23 -0.87 0.00 0.00 176.83 176.98 1thl h GLY 235 N 0.83 0.00 0.89 -0.77 0.00 -1.43 0.28 103.07 102.88 1thl h GLY 235 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1thl h GLY 235 CO 0.00 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.28 1thl h ILE 236 N 0.00 1.27 -0.21 2.60 2.04 -1.23 -1.12 117.51 120.86 1thl h ILE 236 Ca -0.00 -1.04 -0.12 0.00 1.00 0.00 0.00 64.86 64.70 1thl h ILE 236 Cb 0.41 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1thl h ILE 236 CO 0.03 0.33 -0.35 0.40 0.00 0.00 0.00 178.15 178.56 1thl h ILE 237 N 0.36 1.32 -0.65 -0.67 1.08 -1.61 -2.60 117.51 114.73 1thl h ILE 237 Ca 0.08 -1.56 0.03 0.00 -0.39 0.00 0.00 64.86 63.02 1thl h ILE 237 Cb 0.50 1.81 -0.04 0.00 -3.07 0.00 0.00 36.82 36.02 1thl h ILE 237 CO 0.02 0.49 0.40 0.78 -0.69 0.00 0.00 178.15 179.15 1thl h ASN 238 N 0.30 0.64 -0.72 1.72 2.35 -0.88 -0.73 115.58 118.25 1thl h ASN 238 Ca 0.02 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1thl h ASN 238 Cb 0.94 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.15 1thl h ASN 238 CO 0.08 0.44 0.23 0.50 -1.65 0.00 0.00 177.43 177.03 1thl h LYS 239 N 0.77 1.13 -0.27 0.81 1.63 -1.21 -0.86 116.57 118.57 1thl h LYS 239 Ca 0.27 -0.24 0.03 0.00 -0.85 0.00 0.00 60.65 59.85 1thl h LYS 239 Cb 0.05 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.49 1thl h LYS 239 CO -0.12 0.96 0.09 0.00 -3.45 0.00 0.00 179.45 176.94 1thl h ALA 240 N 1.11 0.30 -0.60 5.00 0.00 -1.02 -0.65 119.26 123.40 1thl h ALA 240 Ca 0.23 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1thl h ALA 240 Cb 0.31 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1thl h ALA 240 CO -0.01 -0.32 0.30 0.00 0.00 0.00 0.00 179.25 179.23 1thl h ALA 241 N 1.17 0.77 -0.46 0.00 0.00 -1.06 -0.81 119.26 118.87 1thl h ALA 241 Ca 0.12 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1thl h ALA 241 Cb 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1thl h ALA 241 CO -0.12 0.32 0.25 -0.92 0.00 0.00 0.00 179.25 178.77 1thl h TYR 242 N 0.81 0.46 -0.58 0.00 3.20 -0.91 -2.50 116.97 117.45 1thl h TYR 242 Ca 0.21 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 1thl h TYR 242 Cb 0.09 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 1thl h TYR 242 CO -0.00 0.25 0.21 -0.07 -1.64 0.00 0.00 178.16 176.90 1thl h LEU 243 N 0.49 0.81 -0.73 2.82 3.38 -0.80 -0.55 115.31 120.73 1thl h LEU 243 Ca 0.19 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1thl h LEU 243 Cb 0.07 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 1thl h LEU 243 CO -0.12 0.78 0.39 0.40 0.09 0.00 0.00 178.44 179.98 1thl h ILE 244 N 0.80 0.88 0.12 1.22 2.04 -1.03 0.14 117.51 121.68 1thl h ILE 244 Ca 0.19 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1thl h ILE 244 Cb 0.24 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1thl h ILE 244 CO -0.01 0.12 -0.06 -1.28 0.00 0.00 0.00 178.15 176.92 1thl h SER 245 N 0.66 -0.14 0.31 1.72 0.87 -1.22 0.16 113.55 115.91 1thl h SER 245 Ca 0.35 -0.42 -0.28 0.00 -1.23 0.00 0.00 61.79 60.22 1thl h SER 245 Cb 0.34 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.29 1thl h SER 245 CO -0.25 0.45 -1.93 0.00 -0.53 0.00 0.00 176.83 174.56 1thl n GLN 246 N -4.88 0.65 0.00 2.24 1.13 -0.24 -0.62 117.38 115.67 1thl n GLN 246 Ca -0.08 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1thl n GLN 246 Cb 0.27 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 28.95 1thl n GLN 246 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1thl n GLY 247 N 1.58 -0.43 0.00 1.08 0.00 0.47 -4.34 105.19 103.55 1thl n GLY 247 Ca -0.21 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1thl n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1thl n GLY 248 N -0.48 1.75 3.35 -0.02 0.00 -0.37 -4.75 105.19 104.67 1thl n GLY 248 Ca 0.00 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 1thl n GLY 248 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1thl s THR 249 N -1.33 3.59 -0.08 2.61 2.01 -1.26 0.30 115.64 121.49 1thl s THR 249 Ca 0.00 -0.42 -0.00 0.00 0.31 0.00 0.00 61.69 61.58 1thl s THR 249 Cb 0.00 -2.64 0.02 0.00 0.01 0.00 0.00 72.50 69.89 1thl s THR 249 CO 0.00 0.41 -0.05 -2.28 -0.69 0.00 0.00 174.62 172.01 1thl s HIS 250 N 1.45 1.03 -1.48 4.92 5.04 0.10 -4.70 115.29 121.65 1thl s HIS 250 Ca 0.05 -0.40 -0.11 0.00 -1.54 0.00 0.00 55.06 53.06 1thl s HIS 250 Cb -0.14 -0.93 0.07 0.00 0.04 0.00 0.00 32.58 31.61 1thl s HIS 250 CO -0.01 -0.35 0.97 0.66 -2.34 0.00 0.00 174.74 173.66 1thl n TYR 251 N 4.69 -2.31 -0.35 3.88 4.01 -1.26 -1.21 117.16 124.61 1thl n TYR 251 Ca -0.15 0.91 0.00 0.00 -0.16 0.00 0.00 57.90 58.50 1thl n TYR 251 Cb 0.50 -4.15 0.00 0.00 -0.31 0.00 0.00 39.34 35.38 1thl n TYR 251 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1thl n GLY 252 N -1.71 1.69 3.66 2.72 0.00 -1.26 -5.00 105.19 105.30 1thl n GLY 252 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1thl n GLY 252 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1thl s VAL 253 N -2.83 5.23 -0.08 1.61 1.01 -0.35 -5.06 120.40 119.93 1thl s VAL 253 Ca 0.00 0.61 -0.14 0.00 0.00 0.00 0.00 61.98 62.45 1thl s VAL 253 Cb 0.00 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1thl s VAL 253 CO 0.00 0.26 0.34 -0.44 0.00 0.00 0.00 175.10 175.27 1thl s SER 254 N 1.08 6.62 -0.11 3.32 0.01 -1.26 -0.72 113.70 122.64 1thl s SER 254 Ca 0.17 0.74 0.02 0.00 1.31 0.00 0.00 55.95 58.19 1thl s SER 254 Cb -0.15 -2.21 0.01 0.00 0.21 0.00 0.00 66.02 63.89 1thl s SER 254 CO 0.07 0.23 -0.17 -0.69 0.41 0.00 0.00 173.24 173.09 1thl s VAL 255 N -0.40 1.64 0.01 3.43 1.01 0.15 -4.88 120.40 121.36 1thl s VAL 255 Ca 0.21 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 1thl s VAL 255 Cb -0.15 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1thl s VAL 255 CO 0.09 0.47 0.65 -0.69 0.00 0.00 0.00 175.10 175.62 1thl s VAL 256 N 0.81 4.86 0.21 2.92 1.01 -1.26 -1.23 120.40 127.71 1thl s VAL 256 Ca -0.10 1.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.96 1thl s VAL 256 Cb -0.16 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 1thl s VAL 256 CO 0.01 0.40 0.95 -0.83 0.00 0.00 0.00 175.10 175.63 1thl s GLY 257 N -0.12 3.09 0.00 4.51 0.00 -1.26 -4.71 107.32 108.83 1thl s GLY 257 Ca 0.34 0.62 0.10 0.00 0.00 0.00 0.00 44.72 45.78 1thl s GLY 257 CO 0.19 1.27 0.72 0.29 0.00 0.00 0.00 173.10 175.58 1thl n ILE 258 N 1.81 0.00 0.00 0.90 -5.35 0.57 -4.83 119.36 112.45 1thl n ILE 258 Ca -0.01 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 1thl n ILE 258 Cb 0.47 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 1thl n ILE 258 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1thl n GLY 259 N 0.74 0.80 0.19 3.28 0.00 0.21 -4.60 105.19 105.81 1thl n GLY 259 Ca 0.05 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.26 1thl n GLY 259 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1thl h ARG 260 N 0.00 0.00 0.09 1.61 0.11 -1.93 -2.56 114.38 111.70 1thl h ARG 260 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1thl h ARG 260 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1thl h ARG 260 CO 0.00 0.19 -0.04 -0.44 0.10 0.00 0.00 179.97 179.78 1thl h ASP 261 N 0.00 -0.10 -0.81 0.08 5.19 -1.98 -0.93 116.42 117.87 1thl h ASP 261 Ca -0.00 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1thl h ASP 261 Cb 1.15 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.65 1thl h ASP 261 CO 0.02 0.17 0.52 0.11 -3.12 0.00 0.00 179.24 176.95 1thl h LYS 262 N -0.37 1.07 -0.23 3.56 1.57 -1.81 -0.11 116.57 120.25 1thl h LYS 262 Ca -0.01 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1thl h LYS 262 Cb 0.32 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1thl h LYS 262 CO 0.02 0.72 -0.06 1.25 -0.57 0.00 0.00 179.45 180.82 1thl h LEU 263 N 1.10 -0.21 -0.53 2.94 5.85 -1.26 -0.22 115.31 122.97 1thl h LEU 263 Ca 0.29 0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.12 1thl h LEU 263 Cb -0.10 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1thl h LEU 263 CO -0.06 -0.07 0.29 1.23 -0.34 0.00 0.00 178.44 179.49 1thl h GLY 264 N 0.00 0.75 1.92 3.75 0.00 -0.94 -1.18 103.07 107.36 1thl h GLY 264 Ca 0.11 -0.21 -0.17 0.00 0.00 0.00 0.00 47.33 47.06 1thl h GLY 264 CO -0.23 0.15 -0.77 0.07 0.00 0.00 0.00 176.54 175.76 1thl h LYS 265 N 0.57 0.08 -0.40 4.80 2.10 -0.61 -1.47 116.57 121.64 1thl h LYS 265 Ca 0.23 -0.07 -0.05 0.00 -2.00 0.00 0.00 60.65 58.75 1thl h LYS 265 Cb 0.09 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.43 1thl h LYS 265 CO -0.13 0.80 0.04 0.82 -2.00 0.00 0.00 179.45 178.98 1thl h ILE 266 N 0.05 1.25 -0.56 0.07 2.04 -0.75 -2.50 117.51 117.10 1thl h ILE 266 Ca -0.02 -0.92 -0.09 0.00 1.00 0.00 0.00 64.86 64.84 1thl h ILE 266 Cb 1.35 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 1thl h ILE 266 CO 0.11 0.31 0.00 -0.26 0.00 0.00 0.00 178.15 178.31 1thl h PHE 267 N 0.51 1.05 -0.00 1.37 -1.00 -1.18 -1.69 116.94 116.00 1thl h PHE 267 Ca 0.12 -0.17 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 1thl h PHE 267 Cb 0.41 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 1thl h PHE 267 CO 0.03 0.94 0.00 -0.92 -1.61 0.00 0.00 178.31 176.75 1thl h TYR 268 N 0.90 0.00 -0.71 -0.55 3.20 -1.29 0.25 116.97 118.77 1thl h TYR 268 Ca 0.16 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1thl h TYR 268 Cb 0.52 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 1thl h TYR 268 CO 0.03 0.08 0.41 -0.09 -1.64 0.00 0.00 178.16 176.95 1thl h ARG 269 N -0.08 0.97 -0.42 1.82 2.43 -1.40 -1.47 114.38 116.24 1thl h ARG 269 Ca 0.00 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1thl h ARG 269 Cb 0.08 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1thl h ARG 269 CO -0.00 0.71 0.21 0.00 -1.51 0.00 0.00 179.97 179.38 1thl h ALA 270 N 1.21 0.52 -0.39 2.80 0.00 -0.98 0.74 119.26 123.15 1thl h ALA 270 Ca 0.25 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1thl h ALA 270 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1thl h ALA 270 CO -0.04 -0.14 0.15 1.25 0.00 0.00 0.00 179.25 180.46 1thl h LEU 271 N 0.43 0.17 0.00 0.00 5.85 -0.81 0.34 115.31 121.29 1thl h LEU 271 Ca 0.18 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 1thl h LEU 271 Cb 0.08 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1thl h LEU 271 CO -0.12 0.14 -1.24 0.71 -0.34 0.00 0.00 178.44 177.58 1thl h THR 272 N 0.31 0.42 0.00 1.05 1.35 -0.98 -3.22 112.91 111.84 1thl h THR 272 Ca 0.17 -1.81 -0.13 0.00 -0.55 0.00 0.00 66.41 64.10 1thl h THR 272 Cb 0.14 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 1thl h THR 272 CO -0.17 0.24 -1.58 0.00 -0.25 0.00 0.00 175.52 173.77 1thl n GLN 273 N -2.88 2.00 -0.00 4.72 1.13 0.23 -4.89 117.38 117.69 1thl n GLN 273 Ca -0.07 -0.02 -0.00 0.00 -1.94 0.00 0.00 57.00 54.97 1thl n GLN 273 Cb 0.77 -1.23 -0.00 0.00 0.11 0.00 0.00 30.24 29.89 1thl n GLN 273 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1thl n TYR 274 N -2.22 0.00 -2.43 1.08 4.01 -0.07 -5.05 117.16 112.48 1thl n TYR 274 Ca -0.12 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.28 1thl n TYR 274 Cb 0.67 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.67 1thl n TYR 274 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1thl s LEU 275 N -4.31 3.79 0.29 7.72 1.43 -0.14 -5.01 118.68 122.46 1thl s LEU 275 Ca -0.00 1.97 0.03 0.00 -1.03 0.00 0.00 54.13 55.11 1thl s LEU 275 Cb 0.00 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.60 1thl s LEU 275 CO 0.00 -0.92 0.05 0.42 0.23 0.00 0.00 176.35 176.13 1thl s THR 276 N -1.98 1.06 0.45 5.49 -4.23 -1.26 -4.57 115.64 110.60 1thl s THR 276 Ca 0.68 -2.01 0.19 0.00 -1.18 0.00 0.00 61.69 59.37 1thl s THR 276 Cb -0.18 -2.67 0.37 0.00 1.34 0.00 0.00 72.50 71.36 1thl s THR 276 CO 0.23 -0.07 1.93 -0.65 -0.54 0.00 0.00 174.62 175.52 1thl h PRO 277 N 2.24 0.30 -0.48 3.99 0.11 -1.64 -2.78 132.00 133.74 1thl h PRO 277 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1thl h PRO 277 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1thl h PRO 277 CO 0.67 0.20 0.00 2.41 -0.21 0.00 0.00 178.00 181.06 1thl n THR 278 N -4.45 2.09 -1.76 -1.15 -1.04 -1.26 -0.79 114.28 105.92 1thl n THR 278 Ca 0.14 -1.43 -0.40 0.00 -2.04 0.00 0.00 64.05 60.32 1thl n THR 278 Cb 0.58 -0.04 0.02 0.00 -1.82 0.00 0.00 70.33 69.07 1thl n THR 278 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1thl n SER 279 N 0.44 3.39 -4.74 8.00 7.64 -1.05 -4.85 113.62 122.46 1thl n SER 279 Ca 0.23 1.14 -0.26 0.00 1.01 0.00 0.00 58.87 60.99 1thl n SER 279 Cb 0.91 -1.60 -0.00 0.00 -1.01 0.00 0.00 64.21 62.50 1thl n SER 279 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1thl n ASN 280 N -0.07 2.74 -0.24 6.43 2.04 -1.26 -3.55 115.26 121.35 1thl n ASN 280 Ca 0.05 -2.85 -0.02 0.00 -0.44 0.00 0.00 54.58 51.32 1thl n ASN 280 Cb 0.41 -0.02 0.10 0.00 -2.53 0.00 0.00 39.78 37.74 1thl n ASN 280 CO 0.00 0.00 0.00 -0.26 -0.44 0.00 0.00 177.26 176.56 1thl h PHE 281 N 0.69 0.71 -0.23 -2.53 -1.00 -1.96 -0.52 116.94 112.11 1thl h PHE 281 Ca -0.34 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.39 1thl h PHE 281 Cb 1.23 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 40.56 1thl h PHE 281 CO 0.00 0.35 -0.19 1.03 -1.61 0.00 0.00 178.31 177.89 1thl h SER 282 N 0.72 0.40 0.35 2.17 0.87 -1.95 -0.12 113.55 115.99 1thl h SER 282 Ca 0.30 -0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.61 1thl h SER 282 Cb 0.17 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1thl h SER 282 CO -0.17 0.60 -0.58 1.56 -0.53 0.00 0.00 176.83 177.71 1thl h GLN 283 N 0.37 0.24 -0.73 2.24 4.20 -1.74 -2.66 115.11 117.03 1thl h GLN 283 Ca 0.06 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1thl h GLN 283 Cb 0.54 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 1thl h GLN 283 CO 0.04 0.75 0.33 1.25 -0.67 0.00 0.00 178.83 180.53 1thl h LEU 284 N 0.18 0.95 -0.32 1.46 5.85 -0.32 -0.40 115.31 122.71 1thl h LEU 284 Ca -0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1thl h LEU 284 Cb 1.08 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1thl h LEU 284 CO 0.09 0.82 0.21 -0.09 -0.34 0.00 0.00 178.44 179.13 1thl h ARG 285 N 1.04 0.42 -0.88 1.25 2.43 -0.73 -0.10 114.38 117.81 1thl h ARG 285 Ca 0.25 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1thl h ARG 285 Cb 0.14 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 1thl h ARG 285 CO -0.03 0.29 0.58 0.00 -1.51 0.00 0.00 179.97 179.30 1thl h ALA 286 N 1.10 1.15 -0.31 2.80 0.00 -1.20 -1.76 119.26 121.04 1thl h ALA 286 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1thl h ALA 286 Cb -0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1thl h ALA 286 CO -0.02 0.46 0.12 0.00 0.00 0.00 0.00 179.25 179.80 1thl h ALA 287 N 1.35 0.41 -0.45 0.00 0.00 -0.84 -0.90 119.26 118.83 1thl h ALA 287 Ca 0.34 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1thl h ALA 287 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1thl h ALA 287 CO -0.10 0.02 -0.27 0.00 0.00 0.00 0.00 179.25 178.91 1thl h ALA 288 N 0.96 0.67 -0.52 0.00 0.00 -0.79 -0.89 119.26 118.69 1thl h ALA 288 Ca 0.10 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1thl h ALA 288 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1thl h ALA 288 CO -0.01 0.67 0.08 0.28 0.00 0.00 0.00 179.25 180.28 1thl h VAL 289 N 0.82 1.25 -0.53 0.00 2.07 -1.27 -2.08 116.25 116.51 1thl h VAL 289 Ca 0.10 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 1thl h VAL 289 Cb 0.85 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1thl h VAL 289 CO 0.07 0.34 0.07 -0.61 0.02 0.00 0.00 177.57 177.46 1thl h GLN 290 N 0.74 0.90 -0.19 1.57 5.75 -1.06 -0.21 115.11 122.60 1thl h GLN 290 Ca 0.16 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1thl h GLN 290 Cb 0.41 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1thl h GLN 290 CO 0.01 0.88 0.12 0.77 -2.65 0.00 0.00 178.83 177.96 1thl h SER 291 N 0.78 0.20 -0.67 -0.69 0.02 -1.07 -0.79 113.55 111.32 1thl h SER 291 Ca 0.16 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1thl h SER 291 Cb 0.44 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1thl h SER 291 CO 0.01 0.15 0.33 0.00 -1.14 0.00 0.00 176.83 176.19 1thl h ALA 292 N 1.08 1.28 -0.08 3.77 0.00 -1.33 0.16 119.26 124.14 1thl h ALA 292 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1thl h ALA 292 Cb -0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1thl h ALA 292 CO -0.02 0.56 0.04 1.15 0.00 0.00 0.00 179.25 180.98 1thl h THR 293 N 0.98 1.07 -0.63 0.00 2.02 -0.73 0.40 112.91 116.03 1thl h THR 293 Ca 0.24 -0.21 0.07 0.00 0.77 0.00 0.00 66.41 67.28 1thl h THR 293 Cb 0.10 1.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.53 1thl h THR 293 CO -0.03 0.06 0.32 0.44 0.37 0.00 0.00 175.52 176.68 1thl h ASP 294 N 0.04 0.44 0.08 4.18 3.32 -0.97 0.23 116.42 123.75 1thl h ASP 294 Ca 0.03 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 1thl h ASP 294 Cb 0.07 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 39.59 1thl h ASP 294 CO -0.00 0.28 -0.62 -0.07 -1.72 0.00 0.00 179.24 177.10 1thl h LEU 295 N 0.58 0.40 -1.74 1.55 3.38 -0.66 -3.41 115.31 115.42 1thl h LEU 295 Ca 0.29 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1thl h LEU 295 Cb 0.23 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1thl h LEU 295 CO -0.21 1.27 0.00 -1.22 0.09 0.00 0.00 178.44 178.38 1thl n TYR 296 N -4.23 0.00 0.00 1.13 4.01 0.14 -5.07 117.16 113.13 1thl n TYR 296 Ca -0.12 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 1thl n TYR 296 Cb 0.72 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.73 1thl n TYR 296 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1thl n GLY 297 N -0.20 -0.83 0.38 2.72 0.00 0.79 -4.37 105.19 103.68 1thl n GLY 297 Ca 0.00 -1.33 0.20 0.00 0.00 0.00 0.00 46.02 44.89 1thl n GLY 297 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1thl h SER 298 N 0.00 0.57 -0.59 1.61 0.87 -1.89 -1.02 113.55 113.11 1thl h SER 298 Ca 0.00 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1thl h SER 298 Cb 0.00 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1thl h SER 298 CO 0.00 0.10 0.04 0.35 -0.53 0.00 0.00 176.83 176.79 1thl n THR 299 N -4.75 2.79 -1.80 2.23 -2.24 -1.26 -4.86 114.28 104.38 1thl n THR 299 Ca 0.26 -1.47 -0.31 0.00 -2.27 0.00 0.00 64.05 60.26 1thl n THR 299 Cb 0.80 -0.29 0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1thl n THR 299 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1thl s SER 300 N -0.88 5.73 0.21 3.42 1.04 -0.39 -4.97 113.70 117.86 1thl s SER 300 Ca 0.54 1.35 -0.07 0.00 0.48 0.00 0.00 55.95 58.26 1thl s SER 300 Cb 0.42 -2.28 0.17 0.00 0.10 0.00 0.00 66.02 64.43 1thl s SER 300 CO 0.15 -1.19 1.74 -0.61 0.98 0.00 0.00 173.24 174.31 1thl h GLN 301 N -0.54 1.09 -0.47 4.02 5.75 -1.91 -2.10 115.11 120.96 1thl h GLN 301 Ca -0.44 -0.25 0.01 0.00 -0.15 0.00 0.00 58.65 57.81 1thl h GLN 301 Cb 1.22 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.60 1thl h GLN 301 CO 0.62 0.96 0.30 0.93 -2.65 0.00 0.00 178.83 178.99 1thl h GLU 302 N 1.04 0.59 -0.56 1.69 3.07 -1.93 0.22 114.58 118.69 1thl h GLU 302 Ca 0.22 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.96 1thl h GLU 302 Cb 0.36 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 1thl h GLU 302 CO 0.00 0.39 0.03 0.28 -1.40 0.00 0.00 179.01 178.31 1thl h VAL 303 N 0.61 1.26 -0.37 3.13 2.07 -1.81 -1.80 116.25 119.33 1thl h VAL 303 Ca 0.18 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1thl h VAL 303 Cb -0.05 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1thl h VAL 303 CO -0.05 0.39 0.24 0.00 0.02 0.00 0.00 177.57 178.16 1thl h ALA 304 N 0.98 0.47 -0.70 1.67 0.00 -0.64 -2.18 119.26 118.86 1thl h ALA 304 Ca 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1thl h ALA 304 Cb 0.50 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1thl h ALA 304 CO 0.02 -0.06 0.36 0.77 0.00 0.00 0.00 179.25 180.34 1thl h SER 305 N 0.50 0.87 -0.20 0.00 0.02 -0.47 -1.93 113.55 112.33 1thl h SER 305 Ca 0.13 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1thl h SER 305 Cb -0.04 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1thl h SER 305 CO -0.03 0.72 0.12 0.58 -1.14 0.00 0.00 176.83 177.08 1thl h VAL 306 N 0.98 1.08 -0.15 2.27 2.07 -1.07 -2.09 116.25 119.34 1thl h VAL 306 Ca 0.24 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1thl h VAL 306 Cb 0.05 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1thl h VAL 306 CO -0.04 0.08 0.10 0.11 0.02 0.00 0.00 177.57 177.84 1thl h LYS 307 N 0.24 0.20 -0.47 1.57 1.57 -1.20 -2.37 116.57 116.11 1thl h LYS 307 Ca 0.07 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1thl h LYS 307 Cb 0.03 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1thl h LYS 307 CO -0.01 0.14 0.23 1.96 -0.57 0.00 0.00 179.45 181.20 1thl h GLN 308 N 0.19 0.44 -0.09 3.15 1.08 -1.32 0.56 115.11 119.12 1thl h GLN 308 Ca 0.05 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1thl h GLN 308 Cb -0.01 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1thl h GLN 308 CO -0.01 0.29 0.04 0.00 -0.95 0.00 0.00 178.83 178.21 1thl h ALA 309 N 1.26 0.11 -0.52 3.87 0.00 -1.28 0.42 119.26 123.12 1thl h ALA 309 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1thl h ALA 309 Cb 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1thl h ALA 309 CO -0.15 -0.42 -0.02 0.74 0.00 0.00 0.00 179.25 179.40 1thl h PHE 310 N 0.10 1.03 -0.98 0.00 0.04 -1.25 -2.28 116.94 113.60 1thl h PHE 310 Ca 0.04 -0.19 0.04 0.00 2.80 0.00 0.00 57.97 60.66 1thl h PHE 310 Cb 0.01 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 37.83 1thl h PHE 310 CO -0.09 0.95 0.64 -0.44 -0.60 0.00 0.00 178.31 178.78 1thl h ASP 311 N 0.81 1.06 -0.64 2.17 3.32 -0.72 -0.93 116.42 121.49 1thl h ASP 311 Ca 0.15 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.26 1thl h ASP 311 Cb 0.56 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 1thl h ASP 311 CO 0.03 0.72 0.42 0.00 -1.72 0.00 0.00 179.24 178.69 1thl h ALA 312 N 1.44 1.84 -0.44 3.45 0.00 0.42 -2.09 119.26 123.88 1thl h ALA 312 Ca 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1thl h ALA 312 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1thl h ALA 312 CO -0.13 0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.49 1thl n VAL 313 N -4.48 0.57 -0.82 0.00 0.24 -1.04 -4.71 118.33 108.09 1thl n VAL 313 Ca 0.10 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1thl n VAL 313 Cb 0.28 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 1thl n VAL 313 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1thl n GLY 314 N 1.45 0.55 3.45 7.63 0.00 -0.79 0.25 105.19 117.74 1thl n GLY 314 Ca 0.20 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 1thl n GLY 314 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1thl s VAL 315 N -2.00 4.85 0.00 1.61 1.01 -0.40 -4.67 120.40 120.81 1thl s VAL 315 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1thl s VAL 315 Cb 0.00 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1thl s VAL 315 CO 0.00 -0.83 0.00 0.29 0.00 0.00 0.00 175.10 174.56