#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ves s TRP 2 N 0.00 0.30 -0.27 0.00 1.48 -0.54 -4.93 118.94 114.98 1ves s TRP 2 Ca 0.00 -0.70 -0.08 0.00 -1.06 0.00 0.00 56.10 54.25 1ves s TRP 2 Cb 0.00 -0.21 -0.03 0.00 -1.16 0.00 0.00 33.47 32.07 1ves s TRP 2 CO 0.00 -0.39 0.11 0.08 -4.06 0.00 0.00 176.95 172.69 1ves s VAL 3 N -3.19 4.56 -0.58 -0.66 1.01 -1.26 -0.17 120.40 120.10 1ves s VAL 3 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 1ves s VAL 3 Cb 0.02 -3.18 0.10 0.00 0.00 0.00 0.00 36.38 33.33 1ves s VAL 3 CO -0.07 0.27 0.68 -0.62 0.00 0.00 0.00 175.10 175.36 1ves s ASP 4 N 1.64 6.19 -0.21 3.32 -1.08 0.81 -4.35 116.67 122.99 1ves s ASP 4 Ca 0.06 -1.40 -0.07 0.00 -0.52 0.00 0.00 52.55 50.62 1ves s ASP 4 Cb -0.16 -2.29 -0.04 0.00 -1.46 0.00 0.00 42.92 38.97 1ves s ASP 4 CO 0.06 -1.07 0.06 -1.58 0.52 0.00 0.00 175.17 173.16 1ves s GLN 5 N 2.61 3.83 0.05 4.34 0.74 -1.26 -1.60 119.66 128.37 1ves s GLN 5 Ca 0.11 -0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.14 1ves s GLN 5 Cb -0.24 -3.25 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 1ves s GLN 5 CO 0.07 0.07 -0.08 0.95 -0.55 0.00 0.00 175.29 175.75 1ves s THR 6 N 0.91 0.61 0.64 -0.34 -4.23 0.20 -4.39 115.64 109.04 1ves s THR 6 Ca 0.04 -1.24 -0.11 0.00 -1.18 0.00 0.00 61.69 59.19 1ves s THR 6 Cb -0.14 -0.83 -0.02 0.00 1.34 0.00 0.00 72.50 72.85 1ves s THR 6 CO 0.03 -0.46 1.05 -2.16 -0.54 0.00 0.00 174.62 172.54 1ves s PRO 7 N -1.98 3.37 0.23 3.99 0.04 -1.26 -0.10 135.00 139.29 1ves s PRO 7 Ca -0.06 0.65 0.04 0.00 0.04 0.00 0.00 61.00 61.67 1ves s PRO 7 Cb -0.07 -2.07 0.23 0.00 0.04 0.00 0.00 34.50 32.63 1ves s PRO 7 CO -0.00 -0.71 1.55 0.00 0.04 0.00 0.00 177.00 177.88 1ves h ARG 8 N -0.41 0.25 -4.08 4.56 2.47 -1.77 -3.39 114.38 112.01 1ves h ARG 8 Ca -0.44 -0.18 -0.11 0.00 -1.26 0.00 0.00 59.98 57.99 1ves h ARG 8 Cb 1.21 0.03 -0.15 0.00 -1.65 0.00 0.00 29.97 29.41 1ves h ARG 8 CO 0.63 0.79 -0.55 0.95 0.56 0.00 0.00 179.97 182.34 1ves s THR 9 N -3.74 0.18 -0.24 2.04 -4.23 -1.26 -0.69 115.64 107.69 1ves s THR 9 Ca -0.04 -1.57 -0.26 0.00 -1.18 0.00 0.00 61.69 58.64 1ves s THR 9 Cb 0.12 -1.50 0.07 0.00 1.34 0.00 0.00 72.50 72.53 1ves s THR 9 CO 0.80 -0.81 0.72 0.00 -0.54 0.00 0.00 174.62 174.79 1ves s ALA 10 N -3.91 -1.78 -0.10 3.99 0.00 -0.73 -4.89 121.76 114.35 1ves s ALA 10 Ca 0.08 1.93 0.04 0.00 0.00 0.00 0.00 51.96 54.01 1ves s ALA 10 Cb 0.07 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 1ves s ALA 10 CO -0.09 -0.34 -0.24 0.99 0.00 0.00 0.00 175.76 176.08 1ves s THR 11 N 0.16 2.10 0.12 0.00 2.01 -1.26 -1.30 115.64 117.48 1ves s THR 11 Ca -0.02 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.01 1ves s THR 11 Cb -0.04 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1ves s THR 11 CO 0.02 0.56 -0.08 -0.54 -0.69 0.00 0.00 174.62 173.89 1ves s LYS 12 N 0.28 0.96 0.38 4.92 3.01 -0.26 -4.99 119.74 124.04 1ves s LYS 12 Ca -0.17 -1.40 -0.01 0.00 -1.01 0.00 0.00 55.97 53.38 1ves s LYS 12 Cb -0.17 -0.42 -0.03 0.00 -1.01 0.00 0.00 37.83 36.19 1ves s LYS 12 CO 0.08 0.03 0.61 -1.21 0.51 0.00 0.00 175.35 175.38 1ves s GLU 13 N -3.79 3.49 0.31 1.68 0.41 -1.26 -1.52 118.70 118.02 1ves s GLU 13 Ca 0.15 -0.20 -0.29 0.00 -0.41 0.00 0.00 54.97 54.22 1ves s GLU 13 Cb 0.04 -2.58 -0.10 0.00 -1.78 0.00 0.00 34.13 29.70 1ves s GLU 13 CO -0.02 0.04 1.28 0.95 -0.49 0.00 0.00 175.26 177.03 1ves s THR 14 N -2.43 2.87 0.00 3.63 -4.23 -0.81 -2.67 115.64 112.00 1ves s THR 14 Ca 0.42 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 1ves s THR 14 Cb -0.10 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.20 1ves s THR 14 CO 0.38 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.27 1ves n GLY 15 N 1.05 2.59 3.65 3.99 0.00 -0.08 -4.89 105.19 111.50 1ves n GLY 15 Ca 0.01 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1ves n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ves s GLU 16 N 0.00 -0.21 0.35 1.61 2.02 -1.09 -3.72 118.70 117.67 1ves s GLU 16 Ca 0.00 0.26 0.09 0.00 0.02 0.00 0.00 54.97 55.34 1ves s GLU 16 Cb 0.00 -1.69 -0.07 0.00 0.10 0.00 0.00 34.13 32.48 1ves s GLU 16 CO 0.00 -3.10 -0.08 -1.54 0.02 0.00 0.00 175.26 170.56 1ves s SER 17 N -3.66 3.76 -0.05 -0.19 1.04 -1.26 -1.61 113.70 111.73 1ves s SER 17 Ca 0.68 -1.22 0.03 0.00 0.48 0.00 0.00 55.95 55.91 1ves s SER 17 Cb -0.15 -0.36 0.01 0.00 0.10 0.00 0.00 66.02 65.62 1ves s SER 17 CO 0.57 -0.24 -0.11 -0.22 0.98 0.00 0.00 173.24 174.21 1ves s LEU 18 N -3.62 1.72 -0.18 2.42 0.20 0.13 -4.97 118.68 114.37 1ves s LEU 18 Ca 0.33 -0.26 -0.04 0.00 0.69 0.00 0.00 54.13 54.85 1ves s LEU 18 Cb 0.03 -0.73 -0.02 0.00 -0.43 0.00 0.00 46.19 45.04 1ves s LEU 18 CO 0.17 0.06 -0.02 -0.89 -0.29 0.00 0.00 176.35 175.37 1ves s THR 19 N 0.41 3.85 -0.16 3.68 2.01 -1.26 -0.24 115.64 123.93 1ves s THR 19 Ca -0.08 -0.36 -0.04 0.00 0.31 0.00 0.00 61.69 61.51 1ves s THR 19 Cb -0.12 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 1ves s THR 19 CO 0.02 0.46 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.76 1ves s ILE 20 N 0.74 4.05 -0.13 1.82 1.01 -0.32 -4.52 121.20 123.85 1ves s ILE 20 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 1ves s ILE 20 Cb -0.14 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 1ves s ILE 20 CO 0.02 0.48 -0.07 0.20 0.00 0.00 0.00 174.94 175.57 1ves s ASN 21 N 0.42 4.57 -0.08 3.58 0.01 0.86 -1.64 114.94 122.66 1ves s ASN 21 Ca -0.02 -0.16 0.03 0.00 -0.71 0.00 0.00 52.86 52.00 1ves s ASN 21 Cb -0.14 -1.61 0.00 0.00 0.41 0.00 0.00 41.25 39.91 1ves s ASN 21 CO 0.02 0.21 -0.19 0.00 -1.51 0.00 0.00 177.10 175.63 1ves s VAL 23 N 0.43 1.44 -0.29 0.00 1.01 -0.63 -0.77 120.40 121.59 1ves s VAL 23 Ca -0.16 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 1ves s VAL 23 Cb -0.17 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 1ves s VAL 23 CO 0.06 0.43 0.76 -0.22 0.00 0.00 0.00 175.10 176.13 1ves s LEU 24 N 0.76 4.09 0.13 3.92 0.20 -0.24 -0.13 118.68 127.41 1ves s LEU 24 Ca -0.12 0.71 0.10 0.00 0.69 0.00 0.00 54.13 55.52 1ves s LEU 24 Cb -0.16 -3.04 -0.04 0.00 -0.43 0.00 0.00 46.19 42.52 1ves s LEU 24 CO 0.02 -0.55 -0.23 -0.13 -0.29 0.00 0.00 176.35 175.17 1ves s ARG 25 N 2.84 1.55 -1.39 1.98 0.52 0.76 -4.70 118.95 120.51 1ves s ARG 25 Ca 0.31 -1.31 -0.01 0.00 -0.52 0.00 0.00 55.73 54.20 1ves s ARG 25 Cb -0.15 -1.97 -0.00 0.00 0.52 0.00 0.00 34.95 33.35 1ves s ARG 25 CO 0.11 0.45 0.45 -0.25 0.02 0.00 0.00 175.30 176.08 1ves n ASP 26 N 0.79 -0.60 -4.89 0.23 8.00 -1.26 -1.47 116.55 117.35 1ves n ASP 26 Ca -0.17 -1.00 -0.34 0.00 0.71 0.00 0.00 54.79 53.99 1ves n ASP 26 Cb 0.53 -3.12 -0.05 0.00 -0.02 0.00 0.00 41.12 38.46 1ves n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ves s ALA 27 N -3.92 3.89 -0.18 2.24 0.00 -1.26 -2.04 121.76 120.49 1ves s ALA 27 Ca 0.03 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 51.24 1ves s ALA 27 Cb -0.01 -1.98 -0.21 0.00 0.00 0.00 0.00 23.12 20.91 1ves s ALA 27 CO 0.88 0.68 0.14 0.43 0.00 0.00 0.00 175.76 177.89 1ves n SER 28 N 1.14 2.02 -4.87 0.00 7.64 -1.26 -4.97 113.62 113.32 1ves n SER 28 Ca -0.12 0.21 -0.34 0.00 1.01 0.00 0.00 58.87 59.63 1ves n SER 28 Cb 0.53 -0.80 -0.05 0.00 -1.01 0.00 0.00 64.21 62.88 1ves n SER 28 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1ves s PHE 29 N -2.50 3.53 0.22 1.43 0.08 -1.26 -5.05 117.98 114.43 1ves s PHE 29 Ca -0.28 0.83 -0.30 0.00 0.12 0.00 0.00 56.93 57.30 1ves s PHE 29 Cb 0.08 -2.20 -0.09 0.00 -0.57 0.00 0.00 43.02 40.24 1ves s PHE 29 CO 0.66 0.43 1.20 -1.21 -0.10 0.00 0.00 175.22 176.20 1ves s GLU 30 N -2.25 4.50 -0.01 0.44 2.02 -1.26 -4.97 118.70 117.18 1ves s GLU 30 Ca 0.39 1.91 -0.30 0.00 0.02 0.00 0.00 54.97 56.99 1ves s GLU 30 Cb -0.13 -3.21 -0.07 0.00 0.10 0.00 0.00 34.13 30.82 1ves s GLU 30 CO 0.20 -0.06 1.70 -1.17 0.02 0.00 0.00 175.26 175.95 1ves s LEU 31 N -0.61 4.35 -0.16 1.80 2.96 -1.26 -4.67 118.68 121.09 1ves s LEU 31 Ca 0.51 2.36 -0.16 0.00 -0.22 0.00 0.00 54.13 56.63 1ves s LEU 31 Cb -0.34 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.76 1ves s LEU 31 CO 0.39 -0.93 -0.31 0.29 -1.32 0.00 0.00 176.35 174.48 1ves n LYS 32 N 6.78 0.47 -4.37 1.98 4.76 -0.32 -5.01 118.16 122.45 1ves n LYS 32 Ca 0.17 0.21 -0.18 0.00 -2.87 0.00 0.00 58.31 55.64 1ves n LYS 32 Cb 0.42 -1.36 -0.10 0.00 -1.84 0.00 0.00 35.03 32.14 1ves n LYS 32 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ves s ASP 33 N -5.71 1.70 0.07 4.39 2.15 -1.15 -5.00 116.67 113.12 1ves s ASP 33 Ca -0.25 -1.36 0.00 0.00 0.43 0.00 0.00 52.55 51.37 1ves s ASP 33 Cb 0.03 0.05 -0.04 0.00 -0.30 0.00 0.00 42.92 42.67 1ves s ASP 33 CO 0.38 -0.66 -0.04 0.42 -0.17 0.00 0.00 175.17 175.10 1ves s THR 34 N -3.55 0.42 0.04 1.71 -4.23 -1.26 -1.55 115.64 107.22 1ves s THR 34 Ca 0.36 -1.87 -0.10 0.00 -1.18 0.00 0.00 61.69 58.91 1ves s THR 34 Cb 0.08 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 72.32 1ves s THR 34 CO 0.14 -0.93 0.20 -0.83 -0.54 0.00 0.00 174.62 172.66 1ves s GLY 35 N -2.98 0.03 -0.00 3.99 0.00 -0.59 -4.98 107.32 102.79 1ves s GLY 35 Ca 0.10 -0.29 0.04 0.00 0.00 0.00 0.00 44.72 44.57 1ves s GLY 35 CO -0.07 -0.47 -0.12 -0.98 0.00 0.00 0.00 173.10 171.46 1ves s TRP 36 N -2.63 1.07 0.01 1.90 0.52 -1.26 -0.32 118.94 118.24 1ves s TRP 36 Ca -0.05 -0.22 -0.03 0.00 0.02 0.00 0.00 56.10 55.82 1ves s TRP 36 Cb -0.01 -0.68 -0.01 0.00 -1.15 0.00 0.00 33.47 31.62 1ves s TRP 36 CO -0.04 -0.01 0.04 0.71 0.02 0.00 0.00 176.95 177.66 1ves s TYR 37 N -0.37 0.17 -0.02 -1.98 2.02 0.12 -0.54 117.35 116.75 1ves s TYR 37 Ca 0.04 -0.36 -0.10 0.00 -0.37 0.00 0.00 57.07 56.28 1ves s TYR 37 Cb -0.05 -0.13 0.01 0.00 -0.40 0.00 0.00 41.96 41.39 1ves s TYR 37 CO -0.00 -0.23 0.22 -0.98 -1.57 0.00 0.00 175.55 172.99 1ves s ARG 38 N -1.40 0.52 -0.45 -0.62 1.70 0.55 -0.71 118.95 118.53 1ves s ARG 38 Ca -0.15 -0.20 -0.15 0.00 -0.47 0.00 0.00 55.73 54.76 1ves s ARG 38 Cb -0.09 0.23 0.06 0.00 -0.57 0.00 0.00 34.95 34.58 1ves s ARG 38 CO 0.00 -0.13 0.36 0.99 -1.08 0.00 0.00 175.30 175.44 1ves s THR 39 N -1.12 5.11 0.58 4.99 2.01 -0.65 -0.33 115.64 126.23 1ves s THR 39 Ca -0.12 -1.03 -0.09 0.00 0.31 0.00 0.00 61.69 60.76 1ves s THR 39 Cb -0.06 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1ves s THR 39 CO 0.02 -0.52 0.96 -1.59 -0.69 0.00 0.00 174.62 172.80 1ves s LYS 40 N 1.62 3.51 0.45 4.92 -2.85 -1.26 -1.78 119.74 124.35 1ves s LYS 40 Ca 0.04 0.54 -0.25 0.00 -1.00 0.00 0.00 55.97 55.30 1ves s LYS 40 Cb -0.23 -2.17 -0.09 0.00 -2.06 0.00 0.00 37.83 33.28 1ves s LYS 40 CO 0.07 -0.49 1.31 -0.11 0.10 0.00 0.00 175.35 176.23 1ves n LEU 41 N -2.61 4.49 0.00 2.77 7.94 -0.31 -1.72 117.00 127.55 1ves n LEU 41 Ca 0.04 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1ves n LEU 41 Cb 0.55 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.96 1ves n LEU 41 CO 0.56 -0.56 0.00 0.61 -1.11 0.00 0.00 177.39 176.90 1ves n GLY 42 N 0.76 0.63 3.15 -3.96 0.00 -1.26 -5.01 105.19 99.51 1ves n GLY 42 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1ves n GLY 42 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ves s SER 43 N -2.51 1.46 0.00 1.61 0.15 -0.70 -5.05 113.70 108.66 1ves s SER 43 Ca 0.00 -0.67 0.14 0.00 0.70 0.00 0.00 55.95 56.12 1ves s SER 43 Cb 0.00 -0.02 -0.12 0.00 -1.71 0.00 0.00 66.02 64.17 1ves s SER 43 CO 0.00 -0.16 0.63 1.07 1.20 0.00 0.00 173.24 175.98 1ves n THR 44 N 1.05 0.00 -3.51 6.45 5.66 -1.26 -4.57 114.28 118.10 1ves n THR 44 Ca -0.20 -0.21 -0.37 0.00 -3.05 0.00 0.00 64.05 60.22 1ves n THR 44 Cb 0.55 1.03 -0.08 0.00 -1.55 0.00 0.00 70.33 70.28 1ves n THR 44 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1ves s ASN 45 N -2.21 6.28 0.17 1.09 -0.87 -1.26 -5.04 114.94 113.10 1ves s ASN 45 Ca 0.07 0.32 -0.30 0.00 -1.57 0.00 0.00 52.86 51.38 1ves s ASN 45 Cb 0.11 -2.17 -0.07 0.00 -0.02 0.00 0.00 41.25 39.09 1ves s ASN 45 CO 0.53 -0.02 1.12 -0.70 -2.57 0.00 0.00 177.10 175.46 1ves s GLU 46 N 1.26 4.57 -0.04 -0.60 2.12 -1.26 -4.45 118.70 120.31 1ves s GLU 46 Ca 0.14 1.74 0.02 0.00 0.36 0.00 0.00 54.97 57.23 1ves s GLU 46 Cb -0.14 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 30.97 1ves s GLU 46 CO 0.07 0.03 -0.10 -1.14 -0.54 0.00 0.00 175.26 173.58 1ves s GLN 47 N -0.23 1.15 0.34 4.30 0.74 0.55 -4.92 119.66 121.59 1ves s GLN 47 Ca 0.50 -0.32 -0.29 0.00 0.05 0.00 0.00 55.36 55.30 1ves s GLN 47 Cb -0.30 -1.04 -0.11 0.00 1.10 0.00 0.00 33.01 32.66 1ves s GLN 47 CO 0.35 0.08 1.50 0.45 -0.55 0.00 0.00 175.29 177.12 1ves s SER 48 N 0.37 6.40 -0.14 6.67 0.15 -1.26 -0.33 113.70 125.55 1ves s SER 48 Ca -0.07 2.97 -0.15 0.00 0.70 0.00 0.00 55.95 59.40 1ves s SER 48 Cb -0.11 -2.65 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 1ves s SER 48 CO 0.01 -0.85 0.36 -0.63 1.20 0.00 0.00 173.24 173.34 1ves s ILE 49 N -0.75 5.26 -0.35 6.45 1.01 0.30 -4.86 121.20 128.26 1ves s ILE 49 Ca 0.56 0.70 -0.26 0.00 0.00 0.00 0.00 60.65 61.66 1ves s ILE 49 Cb -0.46 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.32 1ves s ILE 49 CO 0.57 0.37 0.91 -0.55 0.00 0.00 0.00 174.94 176.23 1ves s SER 50 N 0.52 6.70 -0.17 3.58 0.15 -1.26 -4.65 113.70 118.56 1ves s SER 50 Ca 0.20 0.63 -0.29 0.00 0.70 0.00 0.00 55.95 57.19 1ves s SER 50 Cb -0.14 -2.46 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1ves s SER 50 CO 0.06 -0.80 1.40 -0.63 1.20 0.00 0.00 173.24 174.47 1ves s ILE 51 N 3.37 4.04 0.00 6.45 -1.09 -1.26 -4.82 121.20 127.88 1ves s ILE 51 Ca 0.37 1.23 0.00 0.00 -2.23 0.00 0.00 60.65 60.03 1ves s ILE 51 Cb -0.12 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 1ves s ILE 51 CO 0.17 -0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.30 1ves n GLY 52 N 3.96 3.43 7.00 6.18 0.00 -0.37 -5.05 105.19 120.35 1ves n GLY 52 Ca 0.15 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1ves n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ves n GLY 53 N -1.07 3.37 0.26 -0.02 0.00 -1.26 -1.93 105.19 104.53 1ves n GLY 53 Ca 0.00 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1ves n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ves h ARG 54 N 0.00 0.00 -4.31 1.61 3.08 -1.93 -3.39 114.38 109.44 1ves h ARG 54 Ca 0.00 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.31 1ves h ARG 54 Cb 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 29.82 1ves h ARG 54 CO 0.00 0.13 0.10 0.71 -1.07 0.00 0.00 179.97 179.85 1ves s TYR 55 N -4.14 3.31 -0.23 3.04 1.51 -0.81 -1.97 117.35 118.07 1ves s TYR 55 Ca -0.02 -1.41 -0.06 0.00 -1.01 0.00 0.00 57.07 54.56 1ves s TYR 55 Cb 0.13 -3.93 -0.02 0.00 -0.11 0.00 0.00 41.96 38.03 1ves s TYR 55 CO 0.59 -1.15 0.02 0.14 -1.11 0.00 0.00 175.55 174.04 1ves s VAL 56 N 1.63 4.00 -0.01 0.71 -7.23 -0.71 -1.23 120.40 117.56 1ves s VAL 56 Ca 0.14 -0.28 -0.15 0.00 -1.81 0.00 0.00 61.98 59.87 1ves s VAL 56 Cb -0.19 -2.84 -0.06 0.00 0.56 0.00 0.00 36.38 33.85 1ves s VAL 56 CO -0.01 0.39 0.42 -0.70 -0.31 0.00 0.00 175.10 174.89 1ves s GLU 57 N 1.38 3.97 -0.13 4.82 2.12 -1.26 -1.08 118.70 128.52 1ves s GLU 57 Ca 0.05 0.43 0.02 0.00 0.36 0.00 0.00 54.97 55.82 1ves s GLU 57 Cb -0.15 -3.24 0.01 0.00 0.26 0.00 0.00 34.13 31.02 1ves s GLU 57 CO 0.01 0.64 -0.19 0.99 -0.54 0.00 0.00 175.26 176.18 1ves s THR 58 N -0.93 1.83 -0.12 -1.70 2.01 -0.37 -4.98 115.64 111.36 1ves s THR 58 Ca 0.24 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.43 1ves s THR 58 Cb -0.17 -1.64 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 1ves s THR 58 CO 0.13 0.50 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.70 1ves s VAL 59 N 0.97 2.56 -0.40 3.82 1.01 -1.26 -1.09 120.40 126.01 1ves s VAL 59 Ca -0.05 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1ves s VAL 59 Cb -0.15 -2.04 0.11 0.00 0.00 0.00 0.00 36.38 34.30 1ves s VAL 59 CO -0.04 0.54 0.14 0.20 0.00 0.00 0.00 175.10 175.94 1ves s ASN 60 N 0.44 4.78 0.22 3.32 -0.87 0.60 -5.00 114.94 118.43 1ves s ASN 60 Ca -0.13 -2.36 -0.03 0.00 -1.57 0.00 0.00 52.86 48.77 1ves s ASN 60 Cb -0.17 -1.68 0.19 0.00 -0.02 0.00 0.00 41.25 39.58 1ves s ASN 60 CO 0.06 -0.38 1.60 0.11 -2.57 0.00 0.00 177.10 175.92 1ves h LYS 61 N 7.42 0.66 -0.25 -0.60 1.57 -1.95 -0.98 116.57 122.43 1ves h LYS 61 Ca -0.06 -0.31 0.04 0.00 -1.87 0.00 0.00 60.65 58.45 1ves h LYS 61 Cb 0.99 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 1ves h LYS 61 CO 0.60 0.90 -0.01 0.78 -0.57 0.00 0.00 179.45 181.15 1ves h GLY 62 N 1.00 0.23 -0.17 3.86 0.00 -1.94 -1.24 103.07 104.81 1ves h GLY 62 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1ves h GLY 62 CO 0.07 -0.06 0.00 -1.14 0.00 0.00 0.00 176.54 175.41 1ves n SER 63 N -5.16 0.94 -2.67 0.19 3.41 -1.16 -4.92 113.62 104.25 1ves n SER 63 Ca -0.01 -1.55 -0.19 0.00 -0.26 0.00 0.00 58.87 56.85 1ves n SER 63 Cb 0.13 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1ves n SER 63 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ves n LYS 64 N -0.18 -2.82 -4.55 4.33 5.02 -0.47 -4.80 118.16 114.70 1ves n LYS 64 Ca 0.16 0.83 -0.30 0.00 -2.02 0.00 0.00 58.31 56.98 1ves n LYS 64 Cb 0.22 -5.54 -0.13 0.00 -0.02 0.00 0.00 35.03 29.56 1ves n LYS 64 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ves s SER 65 N -2.28 3.38 -0.08 4.39 1.04 -0.47 -1.08 113.70 118.60 1ves s SER 65 Ca 0.12 -0.66 -0.05 0.00 0.48 0.00 0.00 55.95 55.85 1ves s SER 65 Cb -0.06 -0.31 0.04 0.00 0.10 0.00 0.00 66.02 65.79 1ves s SER 65 CO 0.15 0.21 0.20 0.72 0.98 0.00 0.00 173.24 175.49 1ves s PHE 66 N -0.99 -0.24 0.10 5.02 -0.71 0.05 -0.29 117.98 120.93 1ves s PHE 66 Ca 0.14 0.61 0.04 0.00 -1.04 0.00 0.00 56.93 56.68 1ves s PHE 66 Cb -0.10 0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 1ves s PHE 66 CO 0.05 -0.18 -0.11 -1.54 -1.34 0.00 0.00 175.22 172.10 1ves s SER 67 N 1.00 1.59 -0.13 1.98 1.04 -0.25 -0.88 113.70 118.06 1ves s SER 67 Ca -0.07 -0.81 0.01 0.00 0.48 0.00 0.00 55.95 55.55 1ves s SER 67 Cb -0.09 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.04 1ves s SER 67 CO -0.06 -0.23 -0.14 -0.22 0.98 0.00 0.00 173.24 173.57 1ves s LEU 68 N -2.46 1.63 -0.26 2.42 0.20 -0.65 -1.24 118.68 118.33 1ves s LEU 68 Ca 0.06 -0.45 -0.07 0.00 0.69 0.00 0.00 54.13 54.37 1ves s LEU 68 Cb -0.03 -1.11 -0.02 0.00 -0.43 0.00 0.00 46.19 44.60 1ves s LEU 68 CO 0.01 -0.04 0.06 -0.60 -0.29 0.00 0.00 176.35 175.49 1ves s ARG 69 N 1.38 3.47 -0.24 1.98 3.52 -0.24 -1.18 118.95 127.64 1ves s ARG 69 Ca 0.02 -0.60 -0.08 0.00 -0.13 0.00 0.00 55.73 54.94 1ves s ARG 69 Cb -0.13 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 1ves s ARG 69 CO -0.08 -0.26 0.09 0.42 -0.81 0.00 0.00 175.30 174.66 1ves s ILE 70 N 1.57 4.64 0.26 4.11 1.01 0.67 -1.73 121.20 131.74 1ves s ILE 70 Ca 0.05 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.72 1ves s ILE 70 Cb -0.16 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1ves s ILE 70 CO 0.03 0.36 0.11 -0.94 0.00 0.00 0.00 174.94 174.49 1ves s SER 71 N 1.28 5.06 -1.31 3.58 1.04 -0.83 -0.70 113.70 121.82 1ves s SER 71 Ca 0.05 -0.45 -0.02 0.00 0.48 0.00 0.00 55.95 56.01 1ves s SER 71 Cb -0.15 -1.13 0.01 0.00 0.10 0.00 0.00 66.02 64.86 1ves s SER 71 CO 0.04 -0.03 0.85 -0.67 0.98 0.00 0.00 173.24 174.41 1ves n ASP 72 N -1.06 -2.23 -4.69 7.02 2.03 -1.21 -4.88 116.55 111.54 1ves n ASP 72 Ca -0.07 -0.74 -0.38 0.00 0.52 0.00 0.00 54.79 54.12 1ves n ASP 72 Cb 0.58 -4.38 0.05 0.00 -0.72 0.00 0.00 41.12 36.66 1ves n ASP 72 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ves n LEU 73 N -4.35 4.97 -4.27 -2.67 4.77 -0.64 -4.54 117.00 110.27 1ves n LEU 73 Ca -0.23 0.87 -0.15 0.00 -0.03 0.00 0.00 56.01 56.47 1ves n LEU 73 Cb 0.65 -1.50 -0.10 0.00 -2.33 0.00 0.00 43.42 40.14 1ves n LEU 73 CO 0.67 -1.18 -0.33 -0.13 -1.33 0.00 0.00 177.39 175.09 1ves s ARG 74 N -2.97 1.19 0.45 3.23 0.52 -1.26 -0.90 118.95 119.21 1ves s ARG 74 Ca 0.76 -1.59 0.14 0.00 -0.52 0.00 0.00 55.73 54.52 1ves s ARG 74 Cb -0.41 -0.39 1.05 0.00 0.52 0.00 0.00 34.95 35.72 1ves s ARG 74 CO 0.46 -0.12 2.02 0.28 0.02 0.00 0.00 175.30 177.95 1ves h VAL 75 N 2.61 0.94 0.00 3.52 2.07 -1.93 -1.45 116.25 122.00 1ves h VAL 75 Ca -0.37 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1ves h VAL 75 Cb 1.21 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1ves h VAL 75 CO 0.63 0.07 -0.08 -0.08 0.02 0.00 0.00 177.57 178.13 1ves h GLU 76 N 0.36 0.00 0.00 1.57 4.81 -1.96 -2.34 114.58 117.02 1ves h GLU 76 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1ves h GLU 76 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1ves h GLU 76 CO -0.05 0.08 0.00 -0.25 -0.73 0.00 0.00 179.01 178.05 1ves n ASP 77 N -3.27 0.14 -4.59 1.04 8.00 -0.55 -4.36 116.55 112.97 1ves n ASP 77 Ca -0.00 0.52 -0.43 0.00 0.71 0.00 0.00 54.79 55.59 1ves n ASP 77 Cb 0.29 -0.56 -0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1ves n ASP 77 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ves n SER 78 N -1.64 1.16 0.00 -2.24 7.64 -0.88 -4.88 113.62 112.78 1ves n SER 78 Ca 0.05 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1ves n SER 78 Cb 0.26 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 1ves n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ves n GLY 79 N 1.23 -1.13 3.46 0.23 0.00 -0.63 -1.17 105.19 107.18 1ves n GLY 79 Ca 0.09 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 1ves n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ves s THR 80 N -2.18 4.35 -0.10 2.61 2.01 -0.73 -0.70 115.64 120.88 1ves s THR 80 Ca 0.00 -0.16 -0.05 0.00 0.31 0.00 0.00 61.69 61.79 1ves s THR 80 Cb 0.00 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 1ves s THR 80 CO 0.00 0.35 0.09 -0.31 -0.69 0.00 0.00 174.62 174.06 1ves s TYR 81 N 1.51 3.43 0.00 4.92 2.02 -0.05 -1.63 117.35 127.54 1ves s TYR 81 Ca 0.06 0.39 0.01 0.00 -0.37 0.00 0.00 57.07 57.16 1ves s TYR 81 Cb -0.15 -1.88 -0.00 0.00 -0.40 0.00 0.00 41.96 39.53 1ves s TYR 81 CO 0.04 0.63 -0.03 0.15 -1.57 0.00 0.00 175.55 174.77 1ves s LYS 82 N -0.99 0.25 0.18 -0.62 1.02 0.11 -0.72 119.74 118.96 1ves s LYS 82 Ca 0.15 -0.18 0.04 0.00 0.02 0.00 0.00 55.97 55.99 1ves s LYS 82 Cb -0.12 -0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 36.96 1ves s LYS 82 CO 0.04 0.05 0.25 0.00 -0.92 0.00 0.00 175.35 174.77 1ves s GLN 84 N -3.40 0.04 0.22 0.00 0.74 0.57 -0.99 119.66 116.84 1ves s GLN 84 Ca 0.33 0.06 -0.12 0.00 0.05 0.00 0.00 55.36 55.68 1ves s GLN 84 Cb -0.10 0.02 -0.07 0.00 1.10 0.00 0.00 33.01 33.95 1ves s GLN 84 CO 0.27 -0.01 0.59 0.00 -0.55 0.00 0.00 175.29 175.59 1ves s ALA 85 N 0.04 3.52 0.08 1.58 0.00 -0.48 -1.54 121.76 124.95 1ves s ALA 85 Ca -0.00 -0.17 0.07 0.00 0.00 0.00 0.00 51.96 51.86 1ves s ALA 85 Cb -0.01 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1ves s ALA 85 CO -0.00 0.46 -0.18 -0.06 0.00 0.00 0.00 175.76 175.98 1ves s PHE 86 N -1.74 1.57 0.43 0.00 0.40 -0.59 -0.28 117.98 117.78 1ves s PHE 86 Ca 0.46 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 56.41 1ves s PHE 86 Cb -0.12 -0.89 -0.03 0.00 0.51 0.00 0.00 43.02 42.49 1ves s PHE 86 CO 0.20 0.13 0.05 0.71 0.70 0.00 0.00 175.22 177.01 1ves s TYR 87 N -1.10 1.96 0.04 0.36 4.12 -0.02 -1.17 117.35 121.53 1ves s TYR 87 Ca 0.04 -1.01 -0.01 0.00 0.02 0.00 0.00 57.07 56.10 1ves s TYR 87 Cb -0.10 -1.45 -0.03 0.00 -1.52 0.00 0.00 41.96 38.87 1ves s TYR 87 CO 0.03 0.07 -0.01 -1.54 0.02 0.00 0.00 175.55 174.12 1ves s SER 88 N -3.71 0.38 0.09 2.29 1.04 -1.26 0.33 113.70 112.86 1ves s SER 88 Ca 0.21 -0.80 0.05 0.00 0.48 0.00 0.00 55.95 55.89 1ves s SER 88 Cb 0.04 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 1ves s SER 88 CO 0.11 -0.51 -0.14 -1.48 0.98 0.00 0.00 173.24 172.20 1ves s LEU 89 N -2.43 2.34 0.11 2.42 2.34 -0.09 -4.95 118.68 118.42 1ves s LEU 89 Ca -0.01 -0.71 -0.30 0.00 0.06 0.00 0.00 54.13 53.17 1ves s LEU 89 Cb 0.02 -0.50 -0.06 0.00 -0.56 0.00 0.00 46.19 45.08 1ves s LEU 89 CO -0.07 -0.12 1.05 -2.84 -1.06 0.00 0.00 176.35 173.31 1ves s PRO 90 N -2.22 4.60 -0.63 1.48 0.02 -1.26 -1.17 135.00 135.81 1ves s PRO 90 Ca 0.03 1.60 -0.13 0.00 0.02 0.00 0.00 61.00 62.52 1ves s PRO 90 Cb -0.07 -3.35 0.02 0.00 0.02 0.00 0.00 34.50 31.12 1ves s PRO 90 CO 0.02 0.05 0.64 -0.11 -0.33 0.00 0.00 177.00 177.28 1ves n LEU 91 N 2.97 -4.67 -4.44 -5.54 -0.00 -1.26 -4.99 117.00 99.06 1ves n LEU 91 Ca 0.04 -0.21 -0.44 0.00 -0.00 0.00 0.00 56.01 55.40 1ves n LEU 91 Cb 0.48 -2.46 -0.02 0.00 -0.00 0.00 0.00 43.42 41.42 1ves n LEU 91 CO 0.53 -0.72 1.04 -0.83 -0.00 0.00 0.00 177.39 177.42 1ves s GLY 92 N -2.55 2.11 0.02 -3.96 0.00 -1.26 -4.35 107.32 97.32 1ves s GLY 92 Ca 0.15 -2.96 -0.24 0.00 0.00 0.00 0.00 44.72 41.67 1ves s GLY 92 CO 0.83 1.96 0.54 -0.35 0.00 0.00 0.00 173.10 176.08 1ves s ASP 93 N 3.32 -0.48 0.15 1.64 -1.08 -1.23 -5.05 116.67 113.94 1ves s ASP 93 Ca 0.34 0.30 -0.15 0.00 -0.52 0.00 0.00 52.55 52.53 1ves s ASP 93 Cb -0.05 0.49 0.02 0.00 -1.46 0.00 0.00 42.92 41.92 1ves s ASP 93 CO -0.07 -0.67 1.71 0.22 0.52 0.00 0.00 175.17 176.88 1ves h TYR 94 N 2.93 0.67 0.00 -5.34 3.20 -2.06 -2.79 116.97 113.58 1ves h TYR 94 Ca -0.30 -0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.39 1ves h TYR 94 Cb 1.19 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 1ves h TYR 94 CO 0.38 0.55 -0.68 -0.91 -1.64 0.00 0.00 178.16 175.86 1ves h ASN 95 N 0.59 0.00 -3.91 -2.11 2.35 -1.98 -3.47 115.58 107.06 1ves h ASN 95 Ca 0.15 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.22 1ves h ASN 95 Cb 0.15 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 38.24 1ves h ASN 95 CO -0.02 0.68 -0.83 -0.31 -1.65 0.00 0.00 177.43 175.30 1ves s TYR 96 N -2.97 2.58 0.21 1.19 1.51 -1.05 -5.12 117.35 113.69 1ves s TYR 96 Ca 0.02 -0.55 -0.00 0.00 -1.01 0.00 0.00 57.07 55.53 1ves s TYR 96 Cb 0.09 -1.65 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 1ves s TYR 96 CO 0.77 -0.10 0.11 -1.12 -1.11 0.00 0.00 175.55 174.09 1ves s SER 97 N -0.23 0.48 -0.23 2.29 0.01 -1.26 -3.52 113.70 111.24 1ves s SER 97 Ca -0.01 -1.37 -0.08 0.00 1.31 0.00 0.00 55.95 55.81 1ves s SER 97 Cb -0.13 0.31 -0.04 0.00 0.21 0.00 0.00 66.02 66.37 1ves s SER 97 CO 0.03 -0.79 0.09 -0.22 0.41 0.00 0.00 173.24 172.75 1ves s LEU 98 N -3.19 3.68 0.12 2.44 2.96 -0.32 -4.95 118.68 119.41 1ves s LEU 98 Ca 0.37 -0.07 -0.25 0.00 -0.22 0.00 0.00 54.13 53.97 1ves s LEU 98 Cb 0.07 -1.97 -0.07 0.00 0.50 0.00 0.00 46.19 44.72 1ves s LEU 98 CO 0.11 0.04 0.76 -0.22 -1.32 0.00 0.00 176.35 175.73 1ves s LEU 99 N 1.16 4.54 0.05 -0.68 0.20 -1.26 -0.91 118.68 121.78 1ves s LEU 99 Ca 0.05 1.56 -0.01 0.00 0.69 0.00 0.00 54.13 56.41 1ves s LEU 99 Cb -0.14 -3.25 -0.04 0.00 -0.43 0.00 0.00 46.19 42.33 1ves s LEU 99 CO 0.04 0.15 -0.03 0.72 -0.29 0.00 0.00 176.35 176.94 1ves s PHE 100 N -0.78 0.51 0.04 5.38 -0.12 0.15 -4.95 117.98 118.21 1ves s PHE 100 Ca 0.36 -1.06 -0.30 0.00 -0.05 0.00 0.00 56.93 55.88 1ves s PHE 100 Cb -0.22 -0.38 -0.05 0.00 -0.63 0.00 0.00 43.02 41.73 1ves s PHE 100 CO 0.25 -0.38 1.22 0.50 -0.05 0.00 0.00 175.22 176.76 1ves s ARG 101 N -3.90 4.40 0.00 1.99 3.52 -1.26 -0.84 118.95 122.86 1ves s ARG 101 Ca 0.07 1.78 0.00 0.00 -0.13 0.00 0.00 55.73 57.45 1ves s ARG 101 Cb 0.08 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 1ves s ARG 101 CO -0.10 -0.32 0.00 0.41 -0.81 0.00 0.00 175.30 174.48 1ves n GLY 102 N 3.28 3.39 3.85 8.12 0.00 0.62 -4.84 105.19 119.61 1ves n GLY 102 Ca 0.10 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 1ves n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ves s GLU 103 N 2.87 3.22 0.05 1.61 8.01 -1.25 -4.60 118.70 128.60 1ves s GLU 103 Ca 0.00 0.81 0.07 0.00 0.01 0.00 0.00 54.97 55.86 1ves s GLU 103 Cb 0.00 -2.03 -0.03 0.00 -4.31 0.00 0.00 34.13 27.76 1ves s GLU 103 CO 0.00 -0.86 -0.20 0.21 0.01 0.00 0.00 175.26 174.42 1ves s LYS 104 N -5.14 1.34 0.70 1.61 2.20 -1.26 -1.39 119.74 117.81 1ves s LYS 104 Ca 0.57 -0.96 -0.15 0.00 -0.36 0.00 0.00 55.97 55.06 1ves s LYS 104 Cb -0.12 -1.47 0.02 0.00 -1.51 0.00 0.00 37.83 34.75 1ves s LYS 104 CO 0.54 0.37 1.20 0.20 -0.36 0.00 0.00 175.35 177.30 1ves s GLY 105 N -1.26 2.38 0.17 5.54 0.00 -0.16 -4.42 107.32 109.57 1ves s GLY 105 Ca 0.07 0.86 0.26 0.00 0.00 0.00 0.00 44.72 45.91 1ves s GLY 105 CO 0.02 1.26 1.78 0.00 0.00 0.00 0.00 173.10 176.16 1ves n ALA 106 N -2.54 2.15 0.00 3.20 0.00 -1.26 -4.68 120.51 117.39 1ves n ALA 106 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1ves n ALA 106 Cb 0.50 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1ves n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ves n GLY 107 N 1.05 3.12 2.97 0.00 0.00 -1.26 -5.05 105.19 106.03 1ves n GLY 107 Ca 0.05 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 1ves n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ves s THR 108 N -2.81 1.25 -0.48 2.61 2.01 0.10 -4.42 115.64 113.91 1ves s THR 108 Ca 0.00 -0.46 -0.18 0.00 0.31 0.00 0.00 61.69 61.37 1ves s THR 108 Cb 0.00 -1.20 0.05 0.00 0.01 0.00 0.00 72.50 71.36 1ves s THR 108 CO 0.00 0.40 0.52 0.00 -0.69 0.00 0.00 174.62 174.85 1ves s ALA 109 N 1.40 3.44 -0.16 7.40 0.00 0.13 -0.87 121.76 133.10 1ves s ALA 109 Ca 0.01 -1.79 -0.11 0.00 0.00 0.00 0.00 51.96 50.07 1ves s ALA 109 Cb -0.13 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1ves s ALA 109 CO -0.06 -1.83 0.19 -1.17 0.00 0.00 0.00 175.76 172.89 1ves s LEU 110 N 2.24 4.28 -0.17 0.00 2.96 0.12 -1.77 118.68 126.34 1ves s LEU 110 Ca 0.11 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.44 1ves s LEU 110 Cb -0.20 -2.19 0.01 0.00 0.50 0.00 0.00 46.19 44.30 1ves s LEU 110 CO 0.11 0.23 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.31 1ves s THR 111 N -0.06 2.40 -0.16 3.68 2.01 -0.42 -1.61 115.64 121.48 1ves s THR 111 Ca 0.13 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 1ves s THR 111 Cb -0.12 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 1ves s THR 111 CO 0.02 0.52 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.68 1ves s VAL 112 N 1.12 3.15 0.00 3.82 1.01 -1.26 -1.11 120.40 127.13 1ves s VAL 112 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1ves s VAL 112 Cb -0.14 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1ves s VAL 112 CO -0.06 0.49 0.00 1.17 0.00 0.00 0.00 175.10 176.70