#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1loa s GLU 2 N 0.00 0.29 -0.06 -2.82 2.02 -1.26 -5.17 118.70 111.71 1loa s GLU 2 Ca 0.00 -0.44 -0.13 0.00 0.02 0.00 0.00 54.97 54.42 1loa s GLU 2 Cb 0.00 0.11 0.03 0.00 0.10 0.00 0.00 34.13 34.37 1loa s GLU 2 CO 0.00 -0.05 0.32 0.99 0.02 0.00 0.00 175.26 176.53 1loa s THR 3 N -1.16 0.04 0.00 3.63 2.01 -1.26 -5.08 115.64 113.82 1loa s THR 3 Ca -0.13 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1loa s THR 3 Cb -0.08 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 1loa s THR 3 CO -0.00 -0.16 -0.05 -0.89 -0.69 0.00 0.00 174.62 172.83 1loa s THR 4 N -0.74 0.36 0.05 -0.82 2.01 -1.26 -5.09 115.64 110.15 1loa s THR 4 Ca -0.08 -0.31 -0.24 0.00 0.31 0.00 0.00 61.69 61.37 1loa s THR 4 Cb -0.04 -0.33 0.06 0.00 0.01 0.00 0.00 72.50 72.20 1loa s THR 4 CO 0.03 0.02 0.56 -0.44 -0.69 0.00 0.00 174.62 174.10 1loa s SER 5 N -0.32 -0.50 -0.03 3.53 0.01 -1.26 -5.12 113.70 110.02 1loa s SER 5 Ca -0.00 0.24 -0.30 0.00 1.31 0.00 0.00 55.95 57.20 1loa s SER 5 Cb -0.03 0.52 0.11 0.00 0.21 0.00 0.00 66.02 66.83 1loa s SER 5 CO -0.00 -0.74 0.96 0.72 0.41 0.00 0.00 173.24 174.59 1loa s PHE 6 N -2.44 -0.28 -0.11 2.43 -0.71 -1.26 -5.18 117.98 110.43 1loa s PHE 6 Ca -0.05 0.15 -0.13 0.00 -1.04 0.00 0.00 56.93 55.86 1loa s PHE 6 Cb -0.01 0.54 0.03 0.00 -1.21 0.00 0.00 43.02 42.38 1loa s PHE 6 CO -0.02 -0.49 0.35 -1.54 -1.34 0.00 0.00 175.22 172.18 1loa s SER 7 N -2.46 -0.34 -0.31 1.98 1.04 -1.26 -5.11 113.70 107.24 1loa s SER 7 Ca 0.07 0.61 -0.02 0.00 0.48 0.00 0.00 55.95 57.08 1loa s SER 7 Cb -0.01 0.65 0.11 0.00 0.10 0.00 0.00 66.02 66.87 1loa s SER 7 CO -0.07 -0.18 0.14 -0.63 0.98 0.00 0.00 173.24 173.48 1loa s ILE 8 N -0.07 0.28 -0.66 -1.02 1.01 -1.26 -4.97 121.20 114.51 1loa s ILE 8 Ca -0.02 -1.16 0.22 0.00 0.00 0.00 0.00 60.65 59.69 1loa s ILE 8 Cb -0.03 -1.23 0.23 0.00 0.01 0.00 0.00 42.46 41.44 1loa s ILE 8 CO 0.01 -0.77 1.68 0.41 0.00 0.00 0.00 174.94 176.28 1loa n THR 9 N 4.87 0.79 -3.53 2.92 -1.04 -1.26 -4.82 114.28 112.21 1loa n THR 9 Ca -0.01 0.15 -0.15 0.00 -2.04 0.00 0.00 64.05 62.00 1loa n THR 9 Cb 0.41 -1.01 -0.05 0.00 -1.82 0.00 0.00 70.33 67.86 1loa n THR 9 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1loa s LYS 10 N -3.20 0.91 -0.22 -2.82 2.20 -1.26 -5.15 119.74 110.19 1loa s LYS 10 Ca 0.06 0.14 -0.06 0.00 -0.36 0.00 0.00 55.97 55.76 1loa s LYS 10 Cb 0.10 0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.83 1loa s LYS 10 CO 0.40 -0.30 0.02 -0.06 -0.36 0.00 0.00 175.35 175.05 1loa s PHE 11 N -1.44 3.05 0.78 4.03 0.08 -0.26 -4.91 117.98 119.31 1loa s PHE 11 Ca -0.06 -0.50 -0.11 0.00 0.12 0.00 0.00 56.93 56.38 1loa s PHE 11 Cb -0.00 -2.14 0.06 0.00 -0.57 0.00 0.00 43.02 40.36 1loa s PHE 11 CO 0.05 -0.31 1.09 0.20 -0.10 0.00 0.00 175.22 176.14 1loa s GLY 12 N 1.28 1.64 0.37 4.36 0.00 -1.26 0.23 107.32 113.93 1loa s GLY 12 Ca 0.04 -0.09 0.27 0.00 0.00 0.00 0.00 44.72 44.94 1loa s GLY 12 CO 0.02 0.31 1.80 -0.56 0.00 0.00 0.00 173.10 174.67 1loa h PRO 13 N -1.05 0.00 -3.94 2.90 0.13 -1.93 -3.37 132.00 124.75 1loa h PRO 13 Ca -0.46 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.04 1loa h PRO 13 Cb 1.25 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.98 1loa h PRO 13 CO 0.58 0.00 -0.73 0.16 -0.23 0.00 0.00 178.00 177.78 1loa s ASP 14 N -5.02 4.31 -1.09 1.44 -4.77 -1.26 -4.83 116.67 105.46 1loa s ASP 14 Ca 0.05 -2.09 -0.05 0.00 -3.30 0.00 0.00 52.55 47.15 1loa s ASP 14 Cb 0.09 -1.27 0.31 0.00 -1.09 0.00 0.00 42.92 40.96 1loa s ASP 14 CO 0.51 -0.37 1.44 1.67 0.70 0.00 0.00 175.17 179.12 1loa n GLN 15 N 4.29 4.37 0.02 2.11 -0.06 -1.26 -4.90 117.38 121.95 1loa n GLN 15 Ca 0.02 -4.55 0.02 0.00 -2.00 0.00 0.00 57.00 50.50 1loa n GLN 15 Cb 0.40 -2.52 0.10 0.00 -4.06 0.00 0.00 30.24 24.16 1loa n GLN 15 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1loa n GLN 16 N 1.49 0.02 -0.40 3.69 6.02 -1.26 -1.57 117.38 125.38 1loa n GLN 16 Ca 0.26 0.51 0.07 0.00 -0.01 0.00 0.00 57.00 57.83 1loa n GLN 16 Cb 0.34 -1.57 0.25 0.00 1.02 0.00 0.00 30.24 30.28 1loa n GLN 16 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1loa n ASN 17 N -1.61 3.32 -4.32 1.08 6.94 -1.26 -4.86 115.26 114.55 1loa n ASN 17 Ca -0.00 -2.25 -0.30 0.00 -0.02 0.00 0.00 54.58 52.02 1loa n ASN 17 Cb 0.01 -0.45 -0.15 0.00 -2.36 0.00 0.00 39.78 36.83 1loa n ASN 17 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1loa s LEU 18 N -1.34 2.13 -0.21 -4.53 1.02 -0.61 -1.42 118.68 113.73 1loa s LEU 18 Ca 0.35 -0.54 -0.10 0.00 0.02 0.00 0.00 54.13 53.87 1loa s LEU 18 Cb 0.22 -1.25 -0.05 0.00 0.02 0.00 0.00 46.19 45.13 1loa s LEU 18 CO 0.18 0.26 0.13 -0.63 0.02 0.00 0.00 176.35 176.31 1loa s ILE 19 N -0.73 5.29 -0.07 -0.59 1.01 0.29 -4.83 121.20 121.56 1loa s ILE 19 Ca 0.11 0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.78 1loa s ILE 19 Cb -0.10 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 1loa s ILE 19 CO 0.01 0.42 0.32 -0.36 0.00 0.00 0.00 174.94 175.32 1loa s PHE 20 N 0.55 3.63 -0.00 3.97 0.08 -1.26 -0.26 117.98 124.69 1loa s PHE 20 Ca 0.07 0.79 0.01 0.00 0.12 0.00 0.00 56.93 57.92 1loa s PHE 20 Cb -0.12 -2.22 -0.00 0.00 -0.57 0.00 0.00 43.02 40.11 1loa s PHE 20 CO -0.00 0.57 -0.03 -0.65 -0.10 0.00 0.00 175.22 175.00 1loa s GLN 21 N -0.68 0.28 4.20 0.44 -0.21 0.10 -4.95 119.66 118.84 1loa s GLN 21 Ca 0.20 -0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.45 1loa s GLN 21 Cb -0.15 -0.27 0.00 0.00 1.00 0.00 0.00 33.01 33.59 1loa s GLN 21 CO 0.09 0.07 0.00 0.41 -2.12 0.00 0.00 175.29 173.74 1loa n GLY 22 N 2.98 0.64 0.92 3.09 0.00 -1.26 -0.58 105.19 110.98 1loa n GLY 22 Ca -0.13 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.10 1loa n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1loa n ASP 23 N 3.44 2.68 -4.64 1.61 8.00 -0.06 -4.89 116.55 122.69 1loa n ASP 23 Ca 0.00 -2.03 -0.43 0.00 0.71 0.00 0.00 54.79 53.05 1loa n ASP 23 Cb 0.00 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 1loa n ASP 23 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1loa s GLY 24 N -0.98 1.29 0.19 0.44 0.00 -1.20 -4.76 107.32 102.30 1loa s GLY 24 Ca 0.33 0.78 0.04 0.00 0.00 0.00 0.00 44.72 45.87 1loa s GLY 24 CO 0.22 3.16 -0.04 -2.52 0.00 0.00 0.00 173.10 173.91 1loa s TYR 25 N 5.01 1.40 0.00 1.90 1.13 -0.64 -4.57 117.35 121.59 1loa s TYR 25 Ca 0.77 -0.87 -0.07 0.00 -1.41 0.00 0.00 57.07 55.50 1loa s TYR 25 Cb -0.31 -0.77 -0.05 0.00 -1.10 0.00 0.00 41.96 39.73 1loa s TYR 25 CO 0.32 -0.01 0.26 -0.08 -2.51 0.00 0.00 175.55 173.53 1loa s THR 26 N -3.41 5.31 -0.21 -3.49 -1.32 -1.26 -0.10 115.64 111.15 1loa s THR 26 Ca 0.23 0.18 0.18 0.00 -1.21 0.00 0.00 61.69 61.07 1loa s THR 26 Cb 0.04 -3.56 0.47 0.00 -1.51 0.00 0.00 72.50 67.94 1loa s THR 26 CO 0.05 0.38 1.16 1.07 -2.21 0.00 0.00 174.62 175.06 1loa n THR 27 N 1.17 1.48 -1.65 5.08 5.66 0.25 -4.80 114.28 121.47 1loa n THR 27 Ca -0.12 -2.95 0.00 0.00 -3.05 0.00 0.00 64.05 57.93 1loa n THR 27 Cb 0.53 0.41 0.00 0.00 -1.55 0.00 0.00 70.33 69.71 1loa n THR 27 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1loa n LYS 28 N -0.49 -4.02 0.00 1.09 0.00 -1.20 -4.20 118.16 109.35 1loa n LYS 28 Ca 0.18 2.99 0.00 0.00 -0.00 0.00 0.00 58.31 61.48 1loa n LYS 28 Cb 0.90 -3.10 0.00 0.00 -0.00 0.00 0.00 35.03 32.83 1loa n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1loa n GLU 29 N 1.37 0.00 -4.86 -1.58 -0.58 0.13 -4.89 120.64 110.23 1loa n GLU 29 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 1loa n GLU 29 Cb 0.00 -0.11 -0.15 0.00 -0.57 0.00 0.00 31.44 30.61 1loa n GLU 29 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1loa s ARG 30 N 0.00 1.70 -0.70 3.49 0.52 -1.25 -1.10 118.95 121.61 1loa s ARG 30 Ca 0.00 -1.05 -0.24 0.00 -0.52 0.00 0.00 55.73 53.92 1loa s ARG 30 Cb 0.00 -1.85 0.06 0.00 0.52 0.00 0.00 34.95 33.68 1loa s ARG 30 CO 0.00 0.48 1.10 -1.17 0.02 0.00 0.00 175.30 175.73 1loa s LEU 31 N -1.17 3.90 -0.30 2.53 2.96 -1.26 0.84 118.68 126.17 1loa s LEU 31 Ca 0.10 -0.80 -0.21 0.00 -0.22 0.00 0.00 54.13 53.01 1loa s LEU 31 Cb -0.10 -2.48 -0.01 0.00 0.50 0.00 0.00 46.19 44.11 1loa s LEU 31 CO 0.02 -1.60 0.66 0.28 -1.32 0.00 0.00 176.35 174.39 1loa s THR 32 N 4.72 4.91 0.14 3.68 -1.32 0.85 -4.90 115.64 123.72 1loa s THR 32 Ca 0.28 0.95 0.04 0.00 -1.21 0.00 0.00 61.69 61.75 1loa s THR 32 Cb -0.13 -4.02 -0.19 0.00 -1.51 0.00 0.00 72.50 66.65 1loa s THR 32 CO 0.11 -0.14 1.31 -0.07 -2.21 0.00 0.00 174.62 173.62 1loa h LEU 33 N 9.19 0.16 -7.19 9.08 3.38 -1.88 -1.70 115.31 126.35 1loa h LEU 33 Ca -0.26 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 1loa h LEU 33 Cb 1.11 -0.05 -0.20 0.00 0.09 0.00 0.00 40.66 41.62 1loa h LEU 33 CO 0.82 1.04 0.00 -0.89 0.09 0.00 0.00 178.44 179.50 1loa s THR 34 N -2.94 0.02 0.44 0.22 2.01 -1.26 -3.56 115.64 110.58 1loa s THR 34 Ca -0.01 -0.16 0.04 0.00 0.31 0.00 0.00 61.69 61.87 1loa s THR 34 Cb 0.10 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.77 1loa s THR 34 CO 0.83 -0.09 0.62 -0.54 -0.69 0.00 0.00 174.62 174.76 1loa s LYS 35 N -1.05 2.85 -1.20 4.92 -0.14 -1.26 -4.98 119.74 118.88 1loa s LYS 35 Ca -0.11 -0.92 -0.12 0.00 -1.36 0.00 0.00 55.97 53.46 1loa s LYS 35 Cb -0.02 -2.66 -0.06 0.00 -1.68 0.00 0.00 37.83 33.40 1loa s LYS 35 CO 0.07 -0.33 2.34 0.00 -0.76 0.00 0.00 175.35 176.67 1loa n ALA 36 N -1.99 5.40 -2.62 5.17 0.00 -1.26 -4.82 120.51 120.39 1loa n ALA 36 Ca 0.05 -3.07 -0.21 0.00 0.00 0.00 0.00 53.44 50.21 1loa n ALA 36 Cb 0.59 -3.34 -0.14 0.00 0.00 0.00 0.00 19.45 16.55 1loa n ALA 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1loa s VAL 37 N 3.34 1.04 0.35 0.00 0.11 -1.26 -5.10 120.40 118.88 1loa s VAL 37 Ca 0.53 -0.74 -0.28 0.00 -2.93 0.00 0.00 61.98 58.56 1loa s VAL 37 Cb 0.14 -0.90 -0.09 0.00 -1.53 0.00 0.00 36.38 33.99 1loa s VAL 37 CO -0.02 0.16 1.22 -0.60 -3.33 0.00 0.00 175.10 172.53 1loa s ARG 38 N -0.67 4.29 -1.16 1.54 3.52 -1.26 -4.26 118.95 120.95 1loa s ARG 38 Ca 0.03 2.01 -0.04 0.00 -0.13 0.00 0.00 55.73 57.61 1loa s ARG 38 Cb -0.06 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 1loa s ARG 38 CO 0.00 -0.17 0.99 0.09 -0.81 0.00 0.00 175.30 175.40 1loa n ASN 39 N 0.61 -3.85 -4.50 -2.12 5.03 -1.26 -5.06 115.26 104.11 1loa n ASN 39 Ca 0.01 -0.53 -0.26 0.00 0.87 0.00 0.00 54.58 54.67 1loa n ASN 39 Cb 0.44 -4.66 -0.10 0.00 -1.02 0.00 0.00 39.78 34.44 1loa n ASN 39 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1loa s THR 40 N -3.31 1.32 0.02 3.41 -4.23 -1.26 -5.02 115.64 106.57 1loa s THR 40 Ca 0.24 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.75 1loa s THR 40 Cb -0.11 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 71.04 1loa s THR 40 CO 0.66 0.00 -0.01 -0.69 -0.54 0.00 0.00 174.62 174.04 1loa s VAL 41 N -3.05 0.11 -0.20 2.29 1.01 -1.26 -4.78 120.40 114.52 1loa s VAL 41 Ca 0.29 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1loa s VAL 41 Cb 0.07 -0.28 0.05 0.00 0.00 0.00 0.00 36.38 36.23 1loa s VAL 41 CO 0.14 -0.48 0.53 -0.83 0.00 0.00 0.00 175.10 174.46 1loa s GLY 42 N -1.43 -0.40 0.10 4.51 0.00 -1.23 -0.88 107.32 107.98 1loa s GLY 42 Ca -0.16 1.54 -0.06 0.00 0.00 0.00 0.00 44.72 46.04 1loa s GLY 42 CO -0.01 1.37 0.15 0.50 0.00 0.00 0.00 173.10 175.11 1loa s ARG 43 N 0.43 0.87 -0.20 2.90 0.52 0.25 -4.86 118.95 118.87 1loa s ARG 43 Ca -0.01 -1.12 -0.14 0.00 -0.52 0.00 0.00 55.73 53.93 1loa s ARG 43 Cb -0.04 0.31 0.06 0.00 0.52 0.00 0.00 34.95 35.80 1loa s ARG 43 CO -0.01 -0.27 0.50 0.00 0.02 0.00 0.00 175.30 175.54 1loa s ALA 44 N -3.92 -1.29 0.04 2.13 0.00 -1.26 -0.73 121.76 116.74 1loa s ALA 44 Ca 0.11 1.64 0.04 0.00 0.00 0.00 0.00 51.96 53.75 1loa s ALA 44 Cb 0.06 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1loa s ALA 44 CO -0.07 -0.27 -0.11 -0.51 0.00 0.00 0.00 175.76 174.80 1loa s LEU 45 N 0.93 2.20 0.28 0.00 1.02 0.64 -4.90 118.68 118.86 1loa s LEU 45 Ca -0.05 -0.48 -0.30 0.00 0.02 0.00 0.00 54.13 53.32 1loa s LEU 45 Cb -0.06 -0.40 -0.10 0.00 0.02 0.00 0.00 46.19 45.65 1loa s LEU 45 CO -0.08 -0.07 1.47 -0.47 0.02 0.00 0.00 176.35 177.23 1loa s TYR 46 N -1.04 2.92 0.22 0.29 5.04 -1.26 -0.55 117.35 122.97 1loa s TYR 46 Ca -0.03 1.01 -0.08 0.00 -2.44 0.00 0.00 57.07 55.53 1loa s TYR 46 Cb -0.08 -3.89 0.17 0.00 0.35 0.00 0.00 41.96 38.51 1loa s TYR 46 CO 0.01 -2.85 1.83 0.66 -1.34 0.00 0.00 175.55 173.86 1loa h SER 47 N 4.65 1.04 -3.31 4.32 4.64 -1.56 -3.43 113.55 119.90 1loa h SER 47 Ca -0.47 -0.11 -0.54 0.00 -0.47 0.00 0.00 61.79 60.20 1loa h SER 47 Cb 1.22 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1loa h SER 47 CO 0.76 0.85 0.46 -0.55 -0.87 0.00 0.00 176.83 177.48 1loa s SER 48 N -6.18 7.24 0.42 4.97 0.15 -1.26 -5.02 113.70 114.02 1loa s SER 48 Ca -0.13 1.82 -0.23 0.00 0.70 0.00 0.00 55.95 58.11 1loa s SER 48 Cb 0.16 -2.57 -0.12 0.00 -1.71 0.00 0.00 66.02 61.77 1loa s SER 48 CO 0.82 -0.35 0.62 -2.65 1.20 0.00 0.00 173.24 172.88 1loa n PRO 49 N 3.92 0.68 -4.42 5.44 -0.02 -1.26 -5.00 135.00 134.34 1loa n PRO 49 Ca 0.07 0.25 -0.26 0.00 -2.02 0.00 0.00 63.50 61.54 1loa n PRO 49 Cb 0.49 -1.58 -0.13 0.00 -0.02 0.00 0.00 33.50 32.26 1loa n PRO 49 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1loa s ILE 50 N -1.43 1.87 -0.37 4.25 -5.25 -1.26 -5.07 121.20 113.95 1loa s ILE 50 Ca 0.63 -1.52 -0.17 0.00 -0.99 0.00 0.00 60.65 58.60 1loa s ILE 50 Cb -0.60 -1.67 0.00 0.00 2.95 0.00 0.00 42.46 43.14 1loa s ILE 50 CO 0.58 0.06 0.45 -2.28 -1.79 0.00 0.00 174.94 171.96 1loa s HIS 51 N -1.04 3.18 -0.18 1.37 5.65 -1.26 -4.90 115.29 118.10 1loa s HIS 51 Ca 0.09 -0.05 0.18 0.00 0.25 0.00 0.00 55.06 55.53 1loa s HIS 51 Cb -0.10 -2.86 -0.25 0.00 -1.18 0.00 0.00 32.58 28.19 1loa s HIS 51 CO 0.04 -0.57 0.14 1.51 -0.65 0.00 0.00 174.74 175.21 1loa n ILE 52 N 5.40 1.34 -3.89 0.89 3.06 -1.26 -4.83 119.36 120.07 1loa n ILE 52 Ca -0.07 -0.84 -0.10 0.00 -2.50 0.00 0.00 62.75 59.24 1loa n ILE 52 Cb 0.49 -0.49 -0.02 0.00 0.54 0.00 0.00 39.64 40.16 1loa n ILE 52 CO 0.00 0.00 0.00 -2.67 -2.50 0.00 0.00 176.55 171.38 1loa n TRP 53 N -2.75 -1.31 -3.68 9.51 4.27 -1.26 -0.79 117.44 121.43 1loa n TRP 53 Ca -0.30 -1.72 -0.11 0.00 -3.89 0.00 0.00 57.50 51.48 1loa n TRP 53 Cb 1.12 0.45 -0.11 0.00 -1.36 0.00 0.00 31.31 31.41 1loa n TRP 53 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1loa s ASP 54 N -2.62 -0.14 0.09 -0.67 2.15 0.91 -4.95 116.67 111.43 1loa s ASP 54 Ca 0.21 0.79 -0.24 0.00 0.43 0.00 0.00 52.55 53.74 1loa s ASP 54 Cb -0.01 0.90 -0.15 0.00 -0.30 0.00 0.00 42.92 43.35 1loa s ASP 54 CO 0.15 -0.22 1.73 0.77 -0.17 0.00 0.00 175.17 177.43 1loa h SER 55 N 7.82 -0.05 0.00 -0.34 4.64 -1.94 1.02 113.55 124.70 1loa h SER 55 Ca -0.24 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1loa h SER 55 Cb 1.13 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1loa h SER 55 CO 0.20 -0.03 0.07 0.11 -0.87 0.00 0.00 176.83 176.31 1loa h LYS 56 N -0.07 0.00 0.00 4.77 1.79 -1.98 -3.28 116.57 117.80 1loa h LYS 56 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1loa h LYS 56 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1loa h LYS 56 CO 0.01 0.00 -0.52 2.41 -1.08 0.00 0.00 179.45 180.27 1loa n THR 57 N -2.44 0.00 0.00 -0.16 -1.04 -0.55 -5.01 114.28 105.08 1loa n THR 57 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1loa n THR 57 Cb 0.11 0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 1loa n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1loa n GLY 58 N 1.47 2.98 3.64 3.41 0.00 0.34 -5.00 105.19 112.03 1loa n GLY 58 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1loa n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1loa n ASN 59 N 0.00 2.43 -4.33 1.61 4.13 -1.24 -4.70 115.26 113.16 1loa n ASN 59 Ca 0.00 1.12 -0.26 0.00 1.68 0.00 0.00 54.58 57.11 1loa n ASN 59 Cb 0.00 -1.35 -0.13 0.00 -1.54 0.00 0.00 39.78 36.77 1loa n ASN 59 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1loa s VAL 60 N 0.38 1.94 0.67 2.41 0.11 -1.26 -0.06 120.40 124.59 1loa s VAL 60 Ca 0.76 -1.61 -0.11 0.00 -2.93 0.00 0.00 61.98 58.09 1loa s VAL 60 Cb -0.75 -1.73 -0.01 0.00 -1.53 0.00 0.00 36.38 32.35 1loa s VAL 60 CO 0.45 0.03 1.07 0.00 -3.33 0.00 0.00 175.10 173.31 1loa s ALA 61 N -1.09 2.94 -0.12 1.54 0.00 0.03 -4.81 121.76 120.25 1loa s ALA 61 Ca 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 1loa s ALA 61 Cb -0.10 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1loa s ALA 61 CO 0.05 -0.98 0.08 -0.80 0.00 0.00 0.00 175.76 174.11 1loa s ASN 62 N -4.23 5.86 0.08 0.00 0.01 -1.26 -4.00 114.94 111.40 1loa s ASN 62 Ca 0.57 0.29 -0.13 0.00 -0.71 0.00 0.00 52.86 52.88 1loa s ASN 62 Cb -0.11 -1.83 0.02 0.00 0.41 0.00 0.00 41.25 39.74 1loa s ASN 62 CO 0.53 0.37 0.31 0.72 -1.51 0.00 0.00 177.10 177.51 1loa s PHE 63 N -0.78 -0.08 -0.14 2.20 -0.12 -1.19 -5.01 117.98 112.87 1loa s PHE 63 Ca 0.13 -0.19 -0.09 0.00 -0.05 0.00 0.00 56.93 56.72 1loa s PHE 63 Cb -0.12 0.11 0.05 0.00 -0.63 0.00 0.00 43.02 42.43 1loa s PHE 63 CO 0.03 -0.58 0.35 0.54 -0.05 0.00 0.00 175.22 175.51 1loa s VAL 64 N -3.30 -0.02 0.03 -2.49 0.11 -1.26 -0.09 120.40 113.38 1loa s VAL 64 Ca 0.00 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1loa s VAL 64 Cb 0.02 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 1loa s VAL 64 CO -0.08 0.03 -0.04 0.28 -3.33 0.00 0.00 175.10 171.95 1loa s THR 65 N 0.91 0.25 0.04 5.04 -1.32 -0.32 -5.00 115.64 115.24 1loa s THR 65 Ca -0.06 -1.13 -0.04 0.00 -1.21 0.00 0.00 61.69 59.24 1loa s THR 65 Cb -0.07 -0.59 -0.02 0.00 -1.51 0.00 0.00 72.50 70.31 1loa s THR 65 CO -0.07 -0.57 0.07 -0.94 -2.21 0.00 0.00 174.62 170.91 1loa s SER 66 N -1.78 0.22 0.26 8.08 1.04 -1.26 -0.75 113.70 119.51 1loa s SER 66 Ca -0.10 -0.60 -0.18 0.00 0.48 0.00 0.00 55.95 55.55 1loa s SER 66 Cb -0.07 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.29 1loa s SER 66 CO -0.02 -0.51 0.63 0.72 0.98 0.00 0.00 173.24 175.04 1loa s PHE 67 N -2.72 -0.04 0.03 5.02 -0.71 -0.92 -5.01 117.98 113.63 1loa s PHE 67 Ca -0.04 -0.38 0.03 0.00 -1.04 0.00 0.00 56.93 55.51 1loa s PHE 67 Cb -0.01 0.53 -0.02 0.00 -1.21 0.00 0.00 43.02 42.32 1loa s PHE 67 CO -0.05 -1.13 -0.10 0.95 -1.34 0.00 0.00 175.22 173.54 1loa s THR 68 N -3.94 0.78 0.19 -4.49 -4.23 -1.26 0.17 115.64 102.86 1loa s THR 68 Ca 0.14 -0.82 -0.04 0.00 -1.18 0.00 0.00 61.69 59.79 1loa s THR 68 Cb -0.04 -0.73 -0.03 0.00 1.34 0.00 0.00 72.50 73.04 1loa s THR 68 CO 0.06 -0.07 0.19 0.72 -0.54 0.00 0.00 174.62 174.98 1loa s PHE 69 N -0.81 0.91 -0.02 3.99 -0.71 -1.14 -4.96 117.98 115.24 1loa s PHE 69 Ca -0.01 -1.19 0.02 0.00 -1.04 0.00 0.00 56.93 54.70 1loa s PHE 69 Cb -0.07 -0.38 0.01 0.00 -1.21 0.00 0.00 43.02 41.37 1loa s PHE 69 CO 0.01 -0.69 -0.06 0.08 -1.34 0.00 0.00 175.22 173.22 1loa s VAL 70 N -4.10 0.59 0.01 -2.49 1.01 -1.26 -2.60 120.40 111.56 1loa s VAL 70 Ca 0.32 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1loa s VAL 70 Cb 0.05 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1loa s VAL 70 CO 0.09 0.20 -0.04 -0.63 0.00 0.00 0.00 175.10 174.72 1loa s ILE 71 N 0.32 3.87 -0.41 2.22 1.01 -1.26 -5.01 121.20 121.95 1loa s ILE 71 Ca -0.04 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1loa s ILE 71 Cb -0.09 -2.72 0.17 0.00 0.01 0.00 0.00 42.46 39.84 1loa s ILE 71 CO 0.00 0.35 0.35 -0.67 0.00 0.00 0.00 174.94 174.98 1loa n ASP 72 N 1.37 -0.48 -4.80 3.58 -0.08 -1.26 -1.10 116.55 113.79 1loa n ASP 72 Ca -0.15 -2.39 -0.35 0.00 -1.51 0.00 0.00 54.79 50.40 1loa n ASP 72 Cb 0.53 -0.54 -0.05 0.00 2.34 0.00 0.00 41.12 43.40 1loa n ASP 72 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1loa s ALA 73 N -0.00 2.98 -1.26 -1.67 0.00 -1.26 -4.85 121.76 115.71 1loa s ALA 73 Ca 0.33 0.57 0.06 0.00 0.00 0.00 0.00 51.96 52.92 1loa s ALA 73 Cb 0.05 -3.23 0.25 0.00 0.00 0.00 0.00 23.12 20.19 1loa s ALA 73 CO -0.19 -0.15 1.02 -0.35 0.00 0.00 0.00 175.76 176.08 1loa n PRO 74 N -0.59 1.99 -3.58 0.00 -0.04 -1.26 -4.87 135.00 126.65 1loa n PRO 74 Ca 0.07 -0.97 -0.07 0.00 -0.04 0.00 0.00 63.50 62.49 1loa n PRO 74 Cb 0.52 -1.52 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 1loa n PRO 74 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1loa s ASN 75 N -0.55 -0.26 0.00 3.54 3.84 -1.26 -5.06 114.94 115.18 1loa s ASN 75 Ca 0.17 0.16 0.05 0.00 0.21 0.00 0.00 52.86 53.45 1loa s ASN 75 Cb 0.12 0.24 0.10 0.00 -0.55 0.00 0.00 41.25 41.15 1loa s ASN 75 CO 0.08 -0.32 0.97 -1.20 -2.79 0.00 0.00 177.10 173.83 1loa n SER 76 N 0.29 2.09 -0.09 -4.21 7.64 -1.26 -4.30 113.62 113.78 1loa n SER 76 Ca -0.06 -1.76 -0.12 0.00 1.01 0.00 0.00 58.87 57.94 1loa n SER 76 Cb 0.59 -0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 1loa n SER 76 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1loa n TYR 77 N 0.03 0.00 -3.12 1.43 4.01 -1.26 -4.73 117.16 113.52 1loa n TYR 77 Ca 0.04 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.42 1loa n TYR 77 Cb 0.26 -0.77 -0.03 0.00 -0.31 0.00 0.00 39.34 38.49 1loa n TYR 77 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1loa n ASN 78 N -2.97 5.42 -4.52 7.72 3.02 -1.26 -5.00 115.26 117.68 1loa n ASN 78 Ca -0.33 -3.47 -0.34 0.00 -0.03 0.00 0.00 54.58 50.41 1loa n ASN 78 Cb 0.91 -1.00 -0.12 0.00 -0.61 0.00 0.00 39.78 38.96 1loa n ASN 78 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1loa s VAL 79 N -2.92 3.90 -0.04 2.41 1.01 -1.26 -4.65 120.40 118.86 1loa s VAL 79 Ca 0.36 -0.36 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 1loa s VAL 79 Cb 0.11 -2.69 0.05 0.00 0.00 0.00 0.00 36.38 33.85 1loa s VAL 79 CO 0.03 0.51 0.56 0.00 0.00 0.00 0.00 175.10 176.20 1loa s ALA 80 N 0.15 -1.44 0.00 5.51 0.00 -1.25 -4.36 121.76 120.37 1loa s ALA 80 Ca -0.01 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1loa s ALA 80 Cb -0.14 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1loa s ALA 80 CO 0.03 -0.34 0.00 -0.25 0.00 0.00 0.00 175.76 175.20 1loa n ASP 81 N 1.02 2.02 0.00 0.00 8.00 -1.26 -5.03 116.55 121.29 1loa n ASP 81 Ca -0.20 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.22 1loa n ASP 81 Cb 0.57 0.56 0.00 0.00 -0.02 0.00 0.00 41.12 42.22 1loa n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1loa n GLY 82 N 1.16 0.00 3.59 0.44 0.00 -1.26 -3.53 105.19 105.59 1loa n GLY 82 Ca 0.00 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 1loa n GLY 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1loa s PHE 83 N -2.56 -0.61 0.05 1.61 5.36 -1.05 -4.97 117.98 115.81 1loa s PHE 83 Ca 0.00 1.30 -0.07 0.00 -0.96 0.00 0.00 56.93 57.20 1loa s PHE 83 Cb 0.00 0.36 -0.01 0.00 -0.34 0.00 0.00 43.02 43.03 1loa s PHE 83 CO 0.00 -0.41 0.13 0.99 -1.46 0.00 0.00 175.22 174.47 1loa s THR 84 N -0.37 0.14 -0.11 0.12 2.01 -1.26 -1.56 115.64 114.61 1loa s THR 84 Ca -0.03 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 60.84 1loa s THR 84 Cb -0.03 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 1loa s THR 84 CO 0.02 -0.63 -0.13 0.12 -0.69 0.00 0.00 174.62 173.30 1loa s PHE 85 N -3.06 2.78 0.06 4.92 5.36 -1.10 -4.94 117.98 122.00 1loa s PHE 85 Ca -0.01 -0.50 -0.00 0.00 -0.96 0.00 0.00 56.93 55.46 1loa s PHE 85 Cb 0.01 -1.78 -0.04 0.00 -0.34 0.00 0.00 43.02 40.87 1loa s PHE 85 CO -0.07 -0.09 -0.04 -0.59 -1.46 0.00 0.00 175.22 172.97 1loa s PHE 86 N 0.03 0.57 -0.16 10.12 -0.12 -1.26 -0.52 117.98 126.63 1loa s PHE 86 Ca -0.04 -0.98 0.01 0.00 -0.05 0.00 0.00 56.93 55.87 1loa s PHE 86 Cb -0.14 -0.40 0.01 0.00 -0.63 0.00 0.00 43.02 41.86 1loa s PHE 86 CO 0.04 -0.31 -0.19 0.42 -0.05 0.00 0.00 175.22 175.13 1loa s ILE 87 N -3.58 2.19 0.19 -4.49 1.01 -1.08 -5.04 121.20 110.41 1loa s ILE 87 Ca 0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 1loa s ILE 87 Cb 0.05 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1loa s ILE 87 CO -0.08 0.54 0.12 0.00 0.00 0.00 0.00 174.94 175.52 1loa s ALA 88 N 1.06 1.12 0.45 9.38 0.00 -1.26 -2.96 121.76 129.55 1loa s ALA 88 Ca -0.01 -1.67 -0.23 0.00 0.00 0.00 0.00 51.96 50.05 1loa s ALA 88 Cb -0.14 1.33 -0.10 0.00 0.00 0.00 0.00 23.12 24.21 1loa s ALA 88 CO -0.07 -0.58 1.02 -2.30 0.00 0.00 0.00 175.76 173.83 1loa n PRO 89 N -0.25 1.33 -0.33 0.00 -0.02 -1.25 -4.87 135.00 129.62 1loa n PRO 89 Ca 0.01 0.48 0.23 0.00 -2.02 0.00 0.00 63.50 62.20 1loa n PRO 89 Cb 0.66 -2.09 0.45 0.00 -0.02 0.00 0.00 33.50 32.50 1loa n PRO 89 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1loa h VAL 90 N 1.42 0.10 -0.80 -1.45 2.07 -1.99 0.14 116.25 115.74 1loa h VAL 90 Ca -0.45 -0.03 -0.31 0.00 0.82 0.00 0.00 66.70 66.72 1loa h VAL 90 Cb 1.34 0.01 -0.19 0.00 -1.52 0.00 0.00 31.29 30.93 1loa h VAL 90 CO 0.56 0.02 0.38 -0.90 0.02 0.00 0.00 177.57 177.65 1loa n ASP 91 N -5.28 4.34 -4.63 0.57 5.68 -1.26 -5.02 116.55 110.95 1loa n ASP 91 Ca 0.31 -3.38 -0.45 0.00 -0.50 0.00 0.00 54.79 50.76 1loa n ASP 91 Cb 1.01 -0.77 -0.02 0.00 -1.14 0.00 0.00 41.12 40.20 1loa n ASP 91 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1loa n THR 92 N -0.55 1.34 -4.27 2.12 5.66 0.49 -5.06 114.28 114.01 1loa n THR 92 Ca 0.47 -0.33 -0.20 0.00 -3.05 0.00 0.00 64.05 60.93 1loa n THR 92 Cb 1.46 -1.20 -0.11 0.00 -1.55 0.00 0.00 70.33 68.93 1loa n THR 92 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1loa s LYS 93 N -0.88 1.10 -0.24 1.09 1.02 -1.26 -5.08 119.74 115.49 1loa s LYS 93 Ca 0.65 -1.25 -0.39 0.00 0.02 0.00 0.00 55.97 55.00 1loa s LYS 93 Cb -0.71 -1.12 -0.15 0.00 -0.52 0.00 0.00 37.83 35.34 1loa s LYS 93 CO 0.55 0.23 1.75 -2.30 -0.92 0.00 0.00 175.35 174.66 1loa n PRO 94 N 0.62 1.30 0.00 -1.68 -0.02 -1.26 -4.96 135.00 129.01 1loa n PRO 94 Ca -0.16 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1loa n PRO 94 Cb 0.56 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1loa n PRO 94 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1loa n GLN 95 N 5.46 2.89 -1.93 -0.52 1.13 -0.80 -4.97 117.38 118.64 1loa n GLN 95 Ca 0.26 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.91 1loa n GLN 95 Cb 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.49 1loa n GLN 95 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1loa s THR 96 N 0.70 2.35 0.00 5.09 2.01 -0.91 -4.54 115.64 120.33 1loa s THR 96 Ca 0.00 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1loa s THR 96 Cb 0.00 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1loa s THR 96 CO 0.00 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 1loa n GLY 97 N 0.86 -0.51 7.00 4.40 0.00 -1.26 -0.44 105.19 115.25 1loa n GLY 97 Ca 0.02 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1loa n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1loa n GLY 98 N 3.23 2.98 0.00 -0.02 0.00 -1.26 -1.13 105.19 108.99 1loa n GLY 98 Ca 0.00 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.83 1loa n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1loa n GLY 99 N 0.00 -0.40 0.08 -0.02 0.00 -1.26 -2.28 105.19 101.31 1loa n GLY 99 Ca 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.07 1loa n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1loa n TYR 100 N -1.02 0.00 -2.04 1.61 4.01 -0.28 -4.97 117.16 114.47 1loa n TYR 100 Ca 0.09 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.65 1loa n TYR 100 Cb 0.04 -0.23 -0.03 0.00 -0.31 0.00 0.00 39.34 38.81 1loa n TYR 100 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1loa n LEU 101 N -1.22 -1.62 -0.81 7.72 4.77 -0.97 -2.69 117.00 122.18 1loa n LEU 101 Ca 0.08 0.15 -0.11 0.00 -0.03 0.00 0.00 56.01 56.10 1loa n LEU 101 Cb 0.33 -2.55 -0.05 0.00 -2.33 0.00 0.00 43.42 38.83 1loa n LEU 101 CO 0.31 -0.45 -0.10 0.61 -1.33 0.00 0.00 177.39 176.42 1loa n GLY 102 N -0.94 1.11 0.00 -0.72 0.00 0.42 -4.75 105.19 100.31 1loa n GLY 102 Ca -0.20 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1loa n GLY 102 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1loa n VAL 103 N -2.45 0.00 -4.15 1.61 0.31 -1.11 -1.91 118.33 110.63 1loa n VAL 103 Ca -0.11 -0.06 -0.10 0.00 -0.01 0.00 0.00 64.34 64.06 1loa n VAL 103 Cb 0.47 0.57 -0.10 0.00 -0.91 0.00 0.00 33.84 33.87 1loa n VAL 103 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1loa s PHE 104 N -0.36 0.82 -0.06 3.52 0.08 -1.09 -4.78 117.98 116.11 1loa s PHE 104 Ca 0.00 -1.02 0.05 0.00 0.12 0.00 0.00 56.93 56.08 1loa s PHE 104 Cb 0.00 -0.50 -0.07 0.00 -0.57 0.00 0.00 43.02 41.88 1loa s PHE 104 CO 0.00 -0.28 0.01 0.09 -0.10 0.00 0.00 175.22 174.94 1loa n ASN 105 N -0.03 3.48 -4.10 1.36 3.02 -1.26 -2.13 115.26 115.59 1loa n ASN 105 Ca -0.11 -0.01 -0.15 0.00 -0.03 0.00 0.00 54.58 54.29 1loa n ASN 105 Cb 0.62 0.54 -0.10 0.00 -0.61 0.00 0.00 39.78 40.23 1loa n ASN 105 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1loa s SER 106 N -3.89 0.78 0.00 6.41 1.04 -1.26 -4.93 113.70 111.85 1loa s SER 106 Ca -0.04 -1.46 0.29 0.00 0.48 0.00 0.00 55.95 55.22 1loa s SER 106 Cb 0.02 0.35 1.37 0.00 0.10 0.00 0.00 66.02 67.86 1loa s SER 106 CO 0.24 -0.85 1.92 2.29 0.98 0.00 0.00 173.24 177.82 1loa n LYS 107 N -0.40 1.39 -4.01 4.02 2.85 -1.26 -2.60 118.16 118.15 1loa n LYS 107 Ca 0.02 -0.57 -0.25 0.00 -1.05 0.00 0.00 58.31 56.46 1loa n LYS 107 Cb 0.65 -1.48 -0.04 0.00 -0.65 0.00 0.00 35.03 33.52 1loa n LYS 107 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1loa s ASP 108 N -1.96 6.02 -0.51 -5.58 1.01 -1.26 -4.56 116.67 109.83 1loa s ASP 108 Ca 0.41 0.02 -0.27 0.00 0.71 0.00 0.00 52.55 53.42 1loa s ASP 108 Cb 0.21 -1.72 -0.02 0.00 1.01 0.00 0.00 42.92 42.40 1loa s ASP 108 CO 0.34 0.02 1.81 -0.47 0.21 0.00 0.00 175.17 177.09 1loa s TYR 109 N -1.84 1.75 -0.84 4.23 5.04 -1.26 -4.66 117.35 119.77 1loa s TYR 109 Ca 0.33 0.74 -0.15 0.00 -2.44 0.00 0.00 57.07 55.55 1loa s TYR 109 Cb -0.10 -4.11 0.19 0.00 0.35 0.00 0.00 41.96 38.29 1loa s TYR 109 CO 0.27 -2.48 0.85 0.34 -1.34 0.00 0.00 175.55 173.19 1loa s ASP 110 N 7.22 6.70 0.00 4.32 2.15 -1.10 -4.93 116.67 131.02 1loa s ASP 110 Ca 0.71 -2.47 0.00 0.00 0.43 0.00 0.00 52.55 51.22 1loa s ASP 110 Cb -0.16 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1loa s ASP 110 CO 0.26 -0.72 0.18 2.29 -0.17 0.00 0.00 175.17 177.00 1loa n LYS 111 N 4.73 0.26 -0.00 4.34 -0.00 -1.26 -1.40 118.16 124.82 1loa n LYS 111 Ca 0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.42 1loa n LYS 111 Cb 0.47 -1.09 -0.11 0.00 -0.00 0.00 0.00 35.03 34.30 1loa n LYS 111 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1loa n THR 112 N 0.07 1.32 -0.26 0.58 -2.24 -1.26 -4.47 114.28 108.00 1loa n THR 112 Ca 0.00 -0.74 0.06 0.00 -2.27 0.00 0.00 64.05 61.10 1loa n THR 112 Cb 0.04 -0.79 0.16 0.00 -2.10 0.00 0.00 70.33 67.64 1loa n THR 112 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1loa h SER 113 N 0.00 -0.39 -7.10 3.42 0.87 -1.58 -3.46 113.55 105.30 1loa h SER 113 Ca -0.24 0.21 -0.62 0.00 -1.23 0.00 0.00 61.79 59.90 1loa h SER 113 Cb 1.78 0.37 -0.23 0.00 -0.44 0.00 0.00 62.40 63.88 1loa h SER 113 CO 0.05 -0.20 -0.96 0.00 -0.53 0.00 0.00 176.83 175.19 1loa n GLN 114 N -5.37 -0.91 -3.77 2.24 6.02 -1.26 -4.72 117.38 109.60 1loa n GLN 114 Ca 0.14 0.10 -0.23 0.00 -0.01 0.00 0.00 57.00 57.00 1loa n GLN 114 Cb 0.49 -3.71 -0.18 0.00 1.02 0.00 0.00 30.24 27.86 1loa n GLN 114 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1loa s THR 115 N -4.26 0.38 -0.12 5.09 2.01 -1.26 -3.84 115.64 113.64 1loa s THR 115 Ca 0.10 0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.18 1loa s THR 115 Cb -0.06 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 1loa s THR 115 CO 1.00 0.25 -0.03 0.68 -0.69 0.00 0.00 174.62 175.83 1loa s VAL 116 N 1.97 4.00 0.18 3.82 -7.23 -1.16 -1.80 120.40 120.19 1loa s VAL 116 Ca 0.05 -0.34 0.09 0.00 -1.81 0.00 0.00 61.98 59.97 1loa s VAL 116 Cb -0.12 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 1loa s VAL 116 CO -0.05 0.54 -0.19 0.00 -0.31 0.00 0.00 175.10 175.09 1loa s ALA 117 N -0.18 2.12 -0.30 1.32 0.00 0.12 -2.62 121.76 122.21 1loa s ALA 117 Ca 0.04 -1.55 0.01 0.00 0.00 0.00 0.00 51.96 50.46 1loa s ALA 117 Cb -0.13 -0.20 0.09 0.00 0.00 0.00 0.00 23.12 22.88 1loa s ALA 117 CO 0.02 0.25 0.05 0.08 0.00 0.00 0.00 175.76 176.16 1loa s VAL 118 N -2.10 1.36 0.20 0.00 1.01 0.32 -0.24 120.40 120.94 1loa s VAL 118 Ca 0.18 -1.57 -0.01 0.00 0.00 0.00 0.00 61.98 60.58 1loa s VAL 118 Cb -0.06 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1loa s VAL 118 CO 0.08 -0.51 0.39 -1.83 0.00 0.00 0.00 175.10 173.22 1loa s GLU 119 N 1.40 3.53 -0.52 2.72 -1.05 0.60 -2.73 118.70 122.65 1loa s GLU 119 Ca 0.06 -0.32 0.03 0.00 -0.15 0.00 0.00 54.97 54.59 1loa s GLU 119 Cb -0.18 -2.84 0.14 0.00 -0.44 0.00 0.00 34.13 30.81 1loa s GLU 119 CO -0.16 0.41 0.30 -0.06 0.95 0.00 0.00 175.26 176.70 1loa s PHE 120 N -1.85 2.66 -0.29 4.83 0.08 -0.60 -1.35 117.98 121.46 1loa s PHE 120 Ca 0.39 -2.86 -0.19 0.00 0.12 0.00 0.00 56.93 54.38 1loa s PHE 120 Cb -0.11 -2.32 -0.02 0.00 -0.57 0.00 0.00 43.02 40.00 1loa s PHE 120 CO 0.29 -0.73 0.58 0.34 -0.10 0.00 0.00 175.22 175.60 1loa s ASP 121 N -0.23 6.47 -0.35 1.36 2.15 0.03 -2.54 116.67 123.56 1loa s ASP 121 Ca 0.20 0.46 0.07 0.00 0.43 0.00 0.00 52.55 53.71 1loa s ASP 121 Cb -0.20 -2.31 0.57 0.00 -0.30 0.00 0.00 42.92 40.69 1loa s ASP 121 CO -0.04 -0.39 1.64 0.35 -0.17 0.00 0.00 175.17 176.55 1loa n THR 122 N 5.28 2.79 -3.64 1.71 -2.24 -1.23 -1.13 114.28 115.83 1loa n THR 122 Ca -0.02 -2.42 -0.06 0.00 -2.27 0.00 0.00 64.05 59.28 1loa n THR 122 Cb 0.49 -0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 68.28 1loa n THR 122 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1loa s PHE 123 N -3.25 -0.78 -0.52 4.78 2.19 -1.26 -3.97 117.98 115.17 1loa s PHE 123 Ca 0.49 1.62 -0.28 0.00 0.33 0.00 0.00 56.93 59.08 1loa s PHE 123 Cb 0.43 0.46 0.03 0.00 -1.31 0.00 0.00 43.02 42.63 1loa s PHE 123 CO 0.04 -0.39 1.14 -0.47 1.83 0.00 0.00 175.22 177.38 1loa s TYR 124 N 1.26 2.74 -0.39 10.12 5.04 -1.26 -4.98 117.35 129.88 1loa s TYR 124 Ca -0.07 0.57 -0.07 0.00 -2.44 0.00 0.00 57.07 55.05 1loa s TYR 124 Cb -0.04 -4.44 0.07 0.00 0.35 0.00 0.00 41.96 37.89 1loa s TYR 124 CO -0.15 -1.39 0.19 -0.80 -1.34 0.00 0.00 175.55 172.07 1loa s ASN 125 N 2.65 5.45 0.55 4.32 -0.87 -1.26 -4.92 114.94 120.85 1loa s ASN 125 Ca 0.45 -1.45 0.24 0.00 -1.57 0.00 0.00 52.86 50.54 1loa s ASN 125 Cb -0.07 -1.92 1.44 0.00 -0.02 0.00 0.00 41.25 40.68 1loa s ASN 125 CO 0.29 -0.46 2.05 0.71 -2.57 0.00 0.00 177.10 177.13 1loa h THR 126 N 6.16 0.71 0.00 1.60 1.35 -1.94 -0.26 112.91 120.54 1loa h THR 126 Ca -0.22 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1loa h THR 126 Cb 1.08 0.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1loa h THR 126 CO 0.69 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 175.95 1loa h ALA 127 N 1.79 1.56 0.00 6.62 0.00 -2.02 -3.39 119.26 123.83 1loa h ALA 127 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1loa h ALA 127 Cb 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1loa h ALA 127 CO -0.00 0.02 0.00 -2.67 0.00 0.00 0.00 179.25 176.60 1loa n TRP 128 N -3.91 0.00 -1.75 0.00 2.14 -0.74 -5.07 117.44 108.11 1loa n TRP 128 Ca -0.03 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.24 1loa n TRP 128 Cb 0.10 0.00 0.05 0.00 -0.81 0.00 0.00 31.31 30.64 1loa n TRP 128 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1loa s ASP 129 N 0.00 5.46 0.29 -0.67 1.01 -0.18 -4.69 116.67 117.87 1loa s ASP 129 Ca 0.00 1.34 -0.30 0.00 0.71 0.00 0.00 52.55 54.30 1loa s ASP 129 Cb 0.00 -2.21 -0.11 0.00 1.01 0.00 0.00 42.92 41.61 1loa s ASP 129 CO 0.00 -1.36 1.59 -2.84 0.21 0.00 0.00 175.17 172.77 1loa s PRO 130 N -5.21 4.13 0.45 8.23 0.02 -1.26 -4.86 135.00 136.50 1loa s PRO 130 Ca 0.58 2.56 0.17 0.00 0.02 0.00 0.00 61.00 64.33 1loa s PRO 130 Cb -0.12 -3.03 1.11 0.00 0.02 0.00 0.00 34.50 32.48 1loa s PRO 130 CO 0.54 -0.63 1.96 0.66 -0.33 0.00 0.00 177.00 179.20 1loa h SER 131 N 4.94 0.30 0.10 2.53 4.64 -1.94 -1.99 113.55 122.13 1loa h SER 131 Ca -0.47 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1loa h SER 131 Cb 1.22 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1loa h SER 131 CO 0.80 0.17 0.00 -0.55 -0.87 0.00 0.00 176.83 176.38 1loa h ASN 132 N 0.33 0.00 0.00 4.97 7.08 -2.03 -3.46 115.58 122.47 1loa h ASN 132 Ca 0.31 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.53 1loa h ASN 132 Cb 0.74 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.98 1loa h ASN 132 CO -0.08 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.88 1loa n GLY 133 N -1.12 1.27 3.77 9.14 0.00 -0.75 -5.01 105.19 112.49 1loa n GLY 133 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1loa n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1loa s ASP 134 N -3.14 6.11 0.78 1.61 1.01 -1.26 -4.74 116.67 117.04 1loa s ASP 134 Ca 0.00 2.57 -0.13 0.00 0.71 0.00 0.00 52.55 55.70 1loa s ASP 134 Cb 0.00 -2.63 0.07 0.00 1.01 0.00 0.00 42.92 41.37 1loa s ASP 134 CO 0.00 -0.98 1.16 -0.13 0.21 0.00 0.00 175.17 175.43 1loa s ARG 135 N -2.47 1.94 0.12 8.23 0.52 -1.26 -4.84 118.95 121.19 1loa s ARG 135 Ca 0.61 1.56 -0.25 0.00 -0.52 0.00 0.00 55.73 57.13 1loa s ARG 135 Cb -0.36 -1.83 0.08 0.00 0.52 0.00 0.00 34.95 33.36 1loa s ARG 135 CO 0.45 -1.94 1.07 -3.38 0.02 0.00 0.00 175.30 171.52 1loa s HIS 136 N -2.35 -0.03 -0.08 -0.53 -3.43 -0.28 -2.70 115.29 105.88 1loa s HIS 136 Ca 0.69 -0.25 0.04 0.00 -0.80 0.00 0.00 55.06 54.74 1loa s HIS 136 Cb -0.24 0.64 -0.00 0.00 -1.43 0.00 0.00 32.58 31.54 1loa s HIS 136 CO 0.50 -0.71 -0.23 0.42 -2.00 0.00 0.00 174.74 172.72 1loa s ILE 137 N -2.65 1.93 0.08 -5.38 1.01 -0.23 -0.79 121.20 115.17 1loa s ILE 137 Ca 0.17 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.88 1loa s ILE 137 Cb -0.00 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1loa s ILE 137 CO 0.02 0.53 -0.08 -0.83 0.00 0.00 0.00 174.94 174.58 1loa s GLY 138 N 0.22 0.70 -0.38 6.18 0.00 -0.46 -1.05 107.32 112.53 1loa s GLY 138 Ca -0.14 -1.09 -0.15 0.00 0.00 0.00 0.00 44.72 43.34 1loa s GLY 138 CO 0.07 -1.17 0.35 -0.42 0.00 0.00 0.00 173.10 171.93 1loa s ILE 139 N -2.44 5.18 -0.25 0.90 1.01 -1.03 -0.29 121.20 124.29 1loa s ILE 139 Ca 0.02 -0.26 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 1loa s ILE 139 Cb -0.03 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1loa s ILE 139 CO -0.01 -0.22 0.32 -1.81 0.00 0.00 0.00 174.94 173.21 1loa s ASP 140 N 1.74 6.25 -0.32 3.58 1.01 0.66 0.17 116.67 129.75 1loa s ASP 140 Ca 0.09 0.28 0.01 0.00 0.71 0.00 0.00 52.55 53.64 1loa s ASP 140 Cb -0.17 -2.18 0.10 0.00 1.01 0.00 0.00 42.92 41.67 1loa s ASP 140 CO 0.12 -0.09 0.08 0.54 0.21 0.00 0.00 175.17 176.02 1loa s VAL 141 N 1.64 1.47 -0.27 -1.27 0.11 -1.26 0.11 120.40 120.94 1loa s VAL 141 Ca 0.14 -1.80 0.00 0.00 -2.93 0.00 0.00 61.98 57.39 1loa s VAL 141 Cb -0.15 -2.10 0.00 0.00 -1.53 0.00 0.00 36.38 32.60 1loa s VAL 141 CO 0.08 -0.64 0.00 0.59 -3.33 0.00 0.00 175.10 171.81 1loa n ASN 142 N 4.59 -3.84 -3.75 3.54 3.02 -0.74 -4.93 115.26 113.15 1loa n ASN 142 Ca 0.00 0.06 -0.10 0.00 -0.03 0.00 0.00 54.58 54.52 1loa n ASN 142 Cb 0.42 -1.56 -0.05 0.00 -0.61 0.00 0.00 39.78 37.98 1loa n ASN 142 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1loa s SER 143 N -2.38 -0.15 0.00 6.41 0.15 -1.26 -2.72 113.70 113.75 1loa s SER 143 Ca 0.00 -0.50 0.27 0.00 0.70 0.00 0.00 55.95 56.43 1loa s SER 143 Cb 0.00 0.48 1.48 0.00 -1.71 0.00 0.00 66.02 66.27 1loa s SER 143 CO 0.00 -0.89 1.96 0.00 1.20 0.00 0.00 173.24 175.51 1loa n ILE 144 N -0.23 0.08 -3.16 6.45 0.13 -1.07 -4.66 119.36 116.90 1loa n ILE 144 Ca -0.13 0.02 -0.40 0.00 -1.10 0.00 0.00 62.75 61.14 1loa n ILE 144 Cb 0.63 -0.58 -0.07 0.00 -0.84 0.00 0.00 39.64 38.79 1loa n ILE 144 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 1loa s LYS 145 N -2.36 4.05 0.99 9.51 2.20 -1.26 -4.91 119.74 127.96 1loa s LYS 145 Ca 0.32 0.41 -0.12 0.00 -0.36 0.00 0.00 55.97 56.22 1loa s LYS 145 Cb 0.19 -3.67 0.19 0.00 -1.51 0.00 0.00 37.83 33.02 1loa s LYS 145 CO 0.38 -0.43 1.09 -1.12 -0.36 0.00 0.00 175.35 174.91 1loa s SER 146 N 1.53 2.61 0.01 1.43 0.01 -1.26 -4.64 113.70 113.39 1loa s SER 146 Ca 0.24 1.33 0.22 0.00 1.31 0.00 0.00 55.95 59.05 1loa s SER 146 Cb -0.15 -2.01 -0.09 0.00 0.21 0.00 0.00 66.02 63.97 1loa s SER 146 CO 0.09 -3.16 0.95 2.30 0.41 0.00 0.00 173.24 173.83 1loa n ILE 147 N -4.21 0.03 -3.69 1.44 -5.35 0.12 -4.93 119.36 102.78 1loa n ILE 147 Ca 0.05 -0.10 -0.13 0.00 -0.27 0.00 0.00 62.75 62.31 1loa n ILE 147 Cb 0.56 0.64 -0.09 0.00 -1.74 0.00 0.00 39.64 39.01 1loa n ILE 147 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1loa s ASN 148 N -3.34 -0.59 0.25 7.28 3.04 -1.25 -5.01 114.94 115.32 1loa s ASN 148 Ca 0.06 1.09 0.02 0.00 0.04 0.00 0.00 52.86 54.07 1loa s ASN 148 Cb 0.16 1.08 -0.05 0.00 -1.54 0.00 0.00 41.25 40.89 1loa s ASN 148 CO 0.84 -0.19 0.07 0.42 -3.04 0.00 0.00 177.10 175.20 1loa s THR 149 N 0.55 0.70 -0.10 -5.21 -4.23 -1.26 -2.46 115.64 103.64 1loa s THR 149 Ca -0.02 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.45 1loa s THR 149 Cb -0.04 -2.56 0.05 0.00 1.34 0.00 0.00 72.50 71.29 1loa s THR 149 CO -0.03 -0.10 0.21 -0.54 -0.54 0.00 0.00 174.62 173.62 1loa s LYS 150 N -3.98 0.13 0.46 3.99 -0.14 -0.22 -4.96 119.74 115.02 1loa s LYS 150 Ca 0.35 0.55 -0.23 0.00 -1.36 0.00 0.00 55.97 55.27 1loa s LYS 150 Cb 0.07 -0.15 -0.07 0.00 -1.68 0.00 0.00 37.83 36.00 1loa s LYS 150 CO 0.12 -0.22 1.22 -1.12 -0.76 0.00 0.00 175.35 174.59 1loa s SER 151 N 1.70 6.10 -0.02 2.83 0.01 -1.26 -1.06 113.70 121.99 1loa s SER 151 Ca -0.05 2.43 -0.01 0.00 1.31 0.00 0.00 55.95 59.63 1loa s SER 151 Cb -0.11 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1loa s SER 151 CO -0.07 -0.98 0.04 0.86 0.41 0.00 0.00 173.24 173.50 1loa s TRP 152 N -1.45 -0.04 -0.22 2.43 -0.00 -1.10 -4.87 118.94 113.69 1loa s TRP 152 Ca 0.63 0.11 -0.08 0.00 -0.00 0.00 0.00 56.10 56.75 1loa s TRP 152 Cb -0.32 0.01 -0.04 0.00 -0.00 0.00 0.00 33.47 33.12 1loa s TRP 152 CO 0.39 -0.02 0.10 0.00 -0.00 0.00 0.00 176.95 177.42 1loa s ALA 153 N 0.01 3.41 0.02 5.86 0.00 -1.26 -4.37 121.76 125.43 1loa s ALA 153 Ca -0.00 -0.89 -0.27 0.00 0.00 0.00 0.00 51.96 50.80 1loa s ALA 153 Cb -0.00 -2.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 1loa s ALA 153 CO 0.00 -0.11 0.84 -1.17 0.00 0.00 0.00 175.76 175.32 1loa s LEU 154 N 0.92 4.41 -0.39 0.00 1.98 -1.26 -5.01 118.68 119.33 1loa s LEU 154 Ca 0.05 1.51 -0.08 0.00 -2.89 0.00 0.00 54.13 52.72 1loa s LEU 154 Cb -0.14 -3.35 0.07 0.00 0.66 0.00 0.00 46.19 43.44 1loa s LEU 154 CO 0.03 -0.10 0.21 -1.10 -1.89 0.00 0.00 176.35 173.50 1loa s GLN 155 N 0.41 2.56 0.17 1.98 -0.21 -1.26 -5.03 119.66 118.29 1loa s GLN 155 Ca 0.43 -1.40 -0.32 0.00 0.02 0.00 0.00 55.36 54.10 1loa s GLN 155 Cb -0.21 -3.67 -0.12 0.00 1.00 0.00 0.00 33.01 30.02 1loa s GLN 155 CO 0.24 -0.87 1.76 -1.71 -2.12 0.00 0.00 175.29 172.59 1loa n ASN 156 N 4.86 3.97 0.00 5.90 5.15 -1.26 -1.73 115.26 132.15 1loa n ASN 156 Ca -0.10 1.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.91 1loa n ASN 156 Cb 0.43 -1.56 0.00 0.00 -0.53 0.00 0.00 39.78 38.13 1loa n ASN 156 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1loa n GLY 157 N 4.04 1.53 3.65 8.20 0.00 -0.26 -5.01 105.19 117.34 1loa n GLY 157 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1loa n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1loa s LYS 158 N -0.17 2.58 0.23 1.61 1.02 -0.71 -4.88 119.74 119.43 1loa s LYS 158 Ca 0.00 -0.76 -0.30 0.00 0.02 0.00 0.00 55.97 54.93 1loa s LYS 158 Cb 0.00 -2.55 -0.09 0.00 -0.52 0.00 0.00 37.83 34.67 1loa s LYS 158 CO 0.00 0.58 1.33 -1.21 -0.92 0.00 0.00 175.35 175.12 1loa s GLU 159 N -1.87 4.37 0.00 1.68 2.02 -1.26 -4.56 118.70 119.08 1loa s GLU 159 Ca 0.21 2.11 0.08 0.00 0.02 0.00 0.00 54.97 57.40 1loa s GLU 159 Cb -0.11 -3.16 -0.02 0.00 0.10 0.00 0.00 34.13 30.93 1loa s GLU 159 CO 0.13 -0.26 -0.24 0.00 0.02 0.00 0.00 175.26 174.91 1loa s ALA 160 N -0.13 2.04 -0.01 5.21 0.00 -1.07 -4.69 121.76 123.11 1loa s ALA 160 Ca 0.56 -1.10 0.06 0.00 0.00 0.00 0.00 51.96 51.48 1loa s ALA 160 Cb -0.38 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1loa s ALA 160 CO 0.41 0.49 -0.17 -0.80 0.00 0.00 0.00 175.76 175.70 1loa s ASN 161 N -0.79 3.84 0.01 0.00 -0.87 -0.22 -2.90 114.94 114.01 1loa s ASN 161 Ca 0.10 -0.32 0.04 0.00 -1.57 0.00 0.00 52.86 51.10 1loa s ASN 161 Cb -0.09 -0.70 -0.01 0.00 -0.02 0.00 0.00 41.25 40.43 1loa s ASN 161 CO 0.00 0.30 -0.12 -0.69 -2.57 0.00 0.00 177.10 174.02 1loa s VAL 162 N -0.81 0.98 -0.11 1.60 1.01 0.13 -1.45 120.40 121.75 1loa s VAL 162 Ca 0.13 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1loa s VAL 162 Cb -0.10 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.44 1loa s VAL 162 CO 0.03 0.17 -0.16 -0.69 0.00 0.00 0.00 175.10 174.44 1loa s VAL 163 N -0.48 1.55 0.04 2.92 1.01 -0.41 -2.16 120.40 122.86 1loa s VAL 163 Ca 0.03 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.40 1loa s VAL 163 Cb -0.06 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1loa s VAL 163 CO 0.00 0.45 -0.18 -0.63 0.00 0.00 0.00 175.10 174.74 1loa s ILE 164 N 0.89 2.78 -0.00 2.22 1.01 0.07 -1.70 121.20 126.48 1loa s ILE 164 Ca -0.08 -1.17 -0.12 0.00 0.00 0.00 0.00 60.65 59.28 1loa s ILE 164 Cb -0.15 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.17 1loa s ILE 164 CO -0.00 0.35 0.24 0.00 0.00 0.00 0.00 174.94 175.53 1loa s ALA 165 N -0.91 -0.57 0.00 9.38 0.00 -0.28 -1.18 121.76 128.20 1loa s ALA 165 Ca 0.14 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.22 1loa s ALA 165 Cb -0.10 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1loa s ALA 165 CO 0.05 -0.26 -0.10 0.12 0.00 0.00 0.00 175.76 175.57 1loa s PHE 166 N -1.51 0.90 -0.28 0.00 5.36 0.87 -0.91 117.98 122.41 1loa s PHE 166 Ca -0.13 -0.21 0.01 0.00 -0.96 0.00 0.00 56.93 55.65 1loa s PHE 166 Cb -0.06 -0.57 0.08 0.00 -0.34 0.00 0.00 43.02 42.13 1loa s PHE 166 CO 0.02 -0.01 -0.00 1.21 -1.46 0.00 0.00 175.22 174.98 1loa s ASN 167 N -0.43 4.13 0.59 6.13 3.04 -1.15 -3.15 114.94 124.09 1loa s ASN 167 Ca 0.03 -1.51 0.35 0.00 0.04 0.00 0.00 52.86 51.76 1loa s ASN 167 Cb -0.05 -1.24 1.83 0.00 -1.54 0.00 0.00 41.25 40.25 1loa s ASN 167 CO -0.00 -0.30 2.19 0.00 -3.04 0.00 0.00 177.10 175.95 1loa h ALA 168 N 7.89 1.18 0.00 1.71 0.00 -1.88 -2.03 119.26 126.13 1loa h ALA 168 Ca -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1loa h ALA 168 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1loa h ALA 168 CO 0.45 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1loa h ALA 169 N 1.96 1.00 0.00 0.00 0.00 -1.91 -3.32 119.26 116.99 1loa h ALA 169 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1loa h ALA 169 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1loa h ALA 169 CO 0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.51 1loa n THR 170 N -2.83 0.00 -1.97 0.00 -2.24 -1.09 -5.02 114.28 101.12 1loa n THR 170 Ca 0.04 -0.38 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 1loa n THR 170 Cb 0.45 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.71 1loa n THR 170 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1loa n ASN 171 N -0.61 -3.66 -4.73 3.42 3.02 -0.78 -5.03 115.26 106.89 1loa n ASN 171 Ca 0.00 0.06 -0.37 0.00 -0.03 0.00 0.00 54.58 54.24 1loa n ASN 171 Cb 0.01 -2.71 -0.07 0.00 -0.61 0.00 0.00 39.78 36.41 1loa n ASN 171 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1loa s VAL 172 N -2.49 5.27 -0.19 2.41 0.11 -1.22 -4.92 120.40 119.37 1loa s VAL 172 Ca 0.00 0.66 -0.11 0.00 -2.93 0.00 0.00 61.98 59.60 1loa s VAL 172 Cb 0.00 -3.68 -0.05 0.00 -1.53 0.00 0.00 36.38 31.12 1loa s VAL 172 CO 0.00 0.38 0.16 -0.22 -3.33 0.00 0.00 175.10 172.09 1loa s LEU 173 N 0.48 4.23 -0.07 2.54 2.96 -1.26 -2.95 118.68 124.60 1loa s LEU 173 Ca 0.19 0.30 0.03 0.00 -0.22 0.00 0.00 54.13 54.43 1loa s LEU 173 Cb -0.14 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 1loa s LEU 173 CO 0.06 0.17 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.22 1loa s THR 174 N 0.32 2.92 -0.04 3.68 2.01 -0.09 -5.00 115.64 119.44 1loa s THR 174 Ca 0.10 -0.75 -0.00 0.00 0.31 0.00 0.00 61.69 61.34 1loa s THR 174 Cb -0.11 -2.16 0.03 0.00 0.01 0.00 0.00 72.50 70.27 1loa s THR 174 CO -0.01 0.57 0.01 0.54 -0.69 0.00 0.00 174.62 175.04 1loa s VAL 175 N -0.36 0.18 -0.07 3.82 0.11 -1.26 -1.12 120.40 121.70 1loa s VAL 175 Ca 0.03 0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.24 1loa s VAL 175 Cb -0.12 -0.31 0.02 0.00 -1.53 0.00 0.00 36.38 34.43 1loa s VAL 175 CO 0.02 0.18 -0.07 -0.94 -3.33 0.00 0.00 175.10 170.96 1loa s SER 176 N 1.42 1.59 -0.09 3.54 1.04 -0.69 -4.99 113.70 115.51 1loa s SER 176 Ca -0.04 -0.22 -0.05 0.00 0.48 0.00 0.00 55.95 56.11 1loa s SER 176 Cb -0.13 -0.66 -0.04 0.00 0.10 0.00 0.00 66.02 65.29 1loa s SER 176 CO -0.03 -0.06 0.13 -0.22 0.98 0.00 0.00 173.24 174.04 1loa s LEU 177 N 1.16 4.27 -0.01 2.42 1.98 -1.26 -1.29 118.68 125.94 1loa s LEU 177 Ca -0.06 0.40 -0.05 0.00 -2.89 0.00 0.00 54.13 51.53 1loa s LEU 177 Cb -0.14 -2.13 0.00 0.00 0.66 0.00 0.00 46.19 44.58 1loa s LEU 177 CO -0.01 0.38 0.10 -0.89 -1.89 0.00 0.00 176.35 174.03 1loa s THR 178 N -1.07 0.05 0.15 3.68 2.01 -0.53 -4.96 115.64 114.97 1loa s THR 178 Ca 0.17 -0.42 0.10 0.00 0.31 0.00 0.00 61.69 61.85 1loa s THR 178 Cb -0.12 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 1loa s THR 178 CO 0.07 -0.23 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.25 1loa s TYR 179 N -0.75 2.43 -2.00 4.92 2.02 -1.26 -1.06 117.35 121.66 1loa s TYR 179 Ca -0.08 -0.31 0.18 0.00 -0.37 0.00 0.00 57.07 56.49 1loa s TYR 179 Cb -0.05 -1.27 1.08 0.00 -0.40 0.00 0.00 41.96 41.33 1loa s TYR 179 CO 0.00 0.42 1.48 -0.35 -1.57 0.00 0.00 175.55 175.53