#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vd1 n ASP 3 N 0.00 -3.33 -2.17 1.69 4.64 -1.26 -5.11 116.55 111.01 1vd1 n ASP 3 Ca 0.00 0.63 -0.08 0.00 -1.38 0.00 0.00 54.79 53.96 1vd1 n ASP 3 Cb 0.00 -1.23 -0.01 0.00 -1.04 0.00 0.00 41.12 38.85 1vd1 n ASP 3 CO 0.00 0.00 0.00 2.22 -0.82 0.00 0.00 177.20 178.60 1vd1 n PHE 4 N -1.64 -1.32 -0.11 -0.67 1.16 -1.26 -5.01 117.46 108.61 1vd1 n PHE 4 Ca 0.00 -1.33 -0.21 0.00 -1.87 0.00 0.00 57.45 54.04 1vd1 n PHE 4 Cb 0.13 0.41 -0.12 0.00 -1.61 0.00 0.00 39.48 38.29 1vd1 n PHE 4 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1vd1 n ASP 5 N -1.65 1.99 -3.37 5.98 10.43 -0.41 -4.95 116.55 124.58 1vd1 n ASP 5 Ca -0.02 0.06 -0.06 0.00 2.57 0.00 0.00 54.79 57.35 1vd1 n ASP 5 Cb 0.36 -0.61 0.01 0.00 1.84 0.00 0.00 41.12 42.71 1vd1 n ASP 5 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 1vd1 s PHE 6 N -2.51 0.01 -0.01 1.24 -0.12 -1.02 -4.05 117.98 111.52 1vd1 s PHE 6 Ca -0.33 -0.49 0.04 0.00 -0.05 0.00 0.00 56.93 56.10 1vd1 s PHE 6 Cb 0.10 0.74 -0.03 0.00 -0.63 0.00 0.00 43.02 43.19 1vd1 s PHE 6 CO 0.61 -1.16 -0.12 -0.06 -0.05 0.00 0.00 175.22 174.44 1vd1 s PHE 7 N -2.68 2.76 -0.21 3.49 0.40 0.23 -0.01 117.98 121.95 1vd1 s PHE 7 Ca 0.16 -0.12 -0.12 0.00 -0.60 0.00 0.00 56.93 56.25 1vd1 s PHE 7 Cb -0.04 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.86 1vd1 s PHE 7 CO 0.07 0.29 0.24 0.71 0.70 0.00 0.00 175.22 177.22 1vd1 s TYR 8 N -0.89 3.36 -0.34 0.36 4.12 -0.17 -1.20 117.35 122.60 1vd1 s TYR 8 Ca 0.15 0.39 -0.10 0.00 0.02 0.00 0.00 57.07 57.52 1vd1 s TYR 8 Cb -0.11 -2.33 0.01 0.00 -1.52 0.00 0.00 41.96 38.01 1vd1 s TYR 8 CO 0.04 0.10 0.18 0.12 0.02 0.00 0.00 175.55 176.02 1vd1 s PHE 9 N 0.95 3.21 -0.22 2.71 5.36 0.26 -0.59 117.98 129.66 1vd1 s PHE 9 Ca 0.12 -0.69 -0.05 0.00 -0.96 0.00 0.00 56.93 55.35 1vd1 s PHE 9 Cb -0.13 -2.40 -0.02 0.00 -0.34 0.00 0.00 43.02 40.13 1vd1 s PHE 9 CO 0.04 -0.52 -0.00 0.08 -1.46 0.00 0.00 175.22 173.36 1vd1 s VAL 10 N 1.60 3.79 0.27 3.12 1.01 0.10 -1.60 120.40 128.69 1vd1 s VAL 10 Ca 0.04 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 61.75 1vd1 s VAL 10 Cb -0.18 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1vd1 s VAL 10 CO 0.07 0.41 0.05 -1.10 0.00 0.00 0.00 175.10 174.52 1vd1 s GLN 11 N 1.29 2.40 0.09 2.72 -0.21 -0.56 -0.57 119.66 124.83 1vd1 s GLN 11 Ca 0.04 -1.38 0.03 0.00 0.02 0.00 0.00 55.36 54.06 1vd1 s GLN 11 Cb -0.15 -2.22 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 1vd1 s GLN 11 CO 0.00 0.33 -0.09 -1.14 -2.12 0.00 0.00 175.29 172.28 1vd1 s GLN 12 N -3.72 0.82 -0.45 2.91 0.74 0.47 -0.92 119.66 119.50 1vd1 s GLN 12 Ca 0.33 -1.19 -0.14 0.00 0.05 0.00 0.00 55.36 54.41 1vd1 s GLN 12 Cb -0.06 -0.40 0.06 0.00 1.10 0.00 0.00 33.01 33.72 1vd1 s GLN 12 CO 0.21 0.04 0.34 -0.46 -0.55 0.00 0.00 175.29 174.87 1vd1 s TRP 13 N -2.77 3.26 0.28 1.67 -0.00 -0.04 -0.62 118.94 120.72 1vd1 s TRP 13 Ca 0.06 -1.02 0.02 0.00 -0.00 0.00 0.00 56.10 55.16 1vd1 s TRP 13 Cb -0.01 -3.00 0.68 0.00 -0.00 0.00 0.00 33.47 31.15 1vd1 s TRP 13 CO -0.01 -0.77 1.66 -1.35 -0.00 0.00 0.00 176.95 176.48 1vd1 h PRO 14 N 8.64 0.25 -0.55 5.86 0.11 -1.88 -0.61 132.00 143.82 1vd1 h PRO 14 Ca -0.27 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.92 1vd1 h PRO 14 Cb 1.10 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1vd1 h PRO 14 CO 0.82 0.17 0.37 0.00 -0.21 0.00 0.00 178.00 179.14 1vd1 h ALA 15 N 1.74 2.05 0.00 -0.75 0.00 -1.89 -0.69 119.26 119.72 1vd1 h ALA 15 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1vd1 h ALA 15 Cb 1.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1vd1 h ALA 15 CO -0.61 -0.18 0.00 0.43 0.00 0.00 0.00 179.25 178.90 1vd1 n SER 16 N -4.46 0.09 0.04 0.00 7.64 -0.24 -2.60 113.62 114.09 1vd1 n SER 16 Ca 0.09 0.51 0.07 0.00 1.01 0.00 0.00 58.87 60.55 1vd1 n SER 16 Cb 0.37 -0.53 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 1vd1 n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vd1 n TYR 17 N -1.58 0.59 0.07 1.43 9.36 -0.32 -4.29 117.16 122.42 1vd1 n TYR 17 Ca 0.07 0.18 0.11 0.00 3.32 0.00 0.00 57.90 61.58 1vd1 n TYR 17 Cb 0.35 -0.84 0.24 0.00 -0.63 0.00 0.00 39.34 38.45 1vd1 n TYR 17 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1vd1 n ASP 19 N 1.46 1.85 -2.48 0.00 5.75 -1.07 -4.90 116.55 117.16 1vd1 n ASP 19 Ca 0.20 -3.34 -0.04 0.00 -0.01 0.00 0.00 54.79 51.59 1vd1 n ASP 19 Cb 0.59 -0.46 -0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1vd1 n ASP 19 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1vd1 n THR 20 N -1.11 0.00 1.67 2.12 -2.24 -1.26 -1.32 114.28 112.14 1vd1 n THR 20 Ca 0.16 -0.37 0.15 0.00 -2.27 0.00 0.00 64.05 61.72 1vd1 n THR 20 Cb 0.69 -0.41 0.84 0.00 -2.10 0.00 0.00 70.33 69.35 1vd1 n THR 20 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1vd1 n ARG 21 N -0.71 0.67 -2.08 -0.78 1.74 -1.26 -4.76 116.66 109.47 1vd1 n ARG 21 Ca -0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1vd1 n ARG 21 Cb 0.11 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1vd1 n ARG 21 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1vd1 s ARG 22 N -2.32 3.61 0.02 5.56 1.81 -1.26 -5.02 118.95 121.34 1vd1 s ARG 22 Ca 0.37 0.95 -0.23 0.00 -1.72 0.00 0.00 55.73 55.09 1vd1 s ARG 22 Cb 0.21 -2.08 -0.05 0.00 -0.45 0.00 0.00 34.95 32.57 1vd1 s ARG 22 CO 0.42 -0.56 0.70 -1.12 -0.68 0.00 0.00 175.30 174.06 1vd1 s SER 23 N -3.41 7.11 -0.08 0.23 0.01 -1.26 -4.91 113.70 111.39 1vd1 s SER 23 Ca 0.59 1.32 0.02 0.00 1.31 0.00 0.00 55.95 59.19 1vd1 s SER 23 Cb -0.12 -2.43 0.01 0.00 0.21 0.00 0.00 66.02 63.70 1vd1 s SER 23 CO 0.41 0.03 -0.13 0.00 0.41 0.00 0.00 173.24 173.97 1vd1 s TYR 26 N 0.56 2.70 0.88 0.00 2.02 -1.26 -4.11 117.35 118.13 1vd1 s TYR 26 Ca -0.15 1.48 -0.12 0.00 -0.37 0.00 0.00 57.07 57.91 1vd1 s TYR 26 Cb -0.17 -3.53 0.10 0.00 -0.40 0.00 0.00 41.96 37.96 1vd1 s TYR 26 CO 0.05 -1.97 1.03 -2.30 -1.57 0.00 0.00 175.55 170.80 1vd1 n PRO 27 N -0.57 -0.20 0.00 -1.71 -0.02 -1.25 -4.53 135.00 126.72 1vd1 n PRO 27 Ca 0.08 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1vd1 n PRO 27 Cb 0.47 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1vd1 n PRO 27 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1vd1 n THR 28 N -3.78 1.58 0.76 3.45 -2.24 -0.57 -0.70 114.28 112.78 1vd1 n THR 28 Ca 0.12 0.40 0.11 0.00 -2.27 0.00 0.00 64.05 62.40 1vd1 n THR 28 Cb 0.52 -1.40 0.28 0.00 -2.10 0.00 0.00 70.33 67.63 1vd1 n THR 28 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1vd1 n THR 29 N -1.39 0.36 0.00 4.28 -2.24 -1.26 -5.06 114.28 108.97 1vd1 n THR 29 Ca 0.00 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1vd1 n THR 29 Cb 0.00 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 1vd1 n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vd1 n GLY 30 N 1.32 0.63 3.69 3.38 0.00 0.12 -4.97 105.19 109.37 1vd1 n GLY 30 Ca 0.18 -2.13 -0.44 0.00 0.00 0.00 0.00 46.02 43.62 1vd1 n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vd1 n LYS 31 N 0.12 2.41 -0.99 1.61 4.81 -1.26 -3.84 118.16 121.02 1vd1 n LYS 31 Ca 0.00 0.87 -0.30 0.00 -0.87 0.00 0.00 58.31 58.01 1vd1 n LYS 31 Cb 0.00 -2.66 0.15 0.00 0.02 0.00 0.00 35.03 32.54 1vd1 n LYS 31 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1vd1 s PRO 32 N 0.85 1.17 0.62 1.64 0.02 -1.26 -4.98 135.00 133.05 1vd1 s PRO 32 Ca 0.76 1.12 -0.18 0.00 0.02 0.00 0.00 61.00 62.72 1vd1 s PRO 32 Cb -0.60 -1.78 -0.02 0.00 0.02 0.00 0.00 34.50 32.12 1vd1 s PRO 32 CO 0.37 -2.39 1.22 -0.51 -0.33 0.00 0.00 177.00 175.36 1vd1 s ASP 33 N -3.08 5.00 -1.43 2.53 1.01 -1.26 -4.86 116.67 114.57 1vd1 s ASP 33 Ca 0.64 2.41 -0.12 0.00 0.71 0.00 0.00 52.55 56.19 1vd1 s ASP 33 Cb -0.20 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.19 1vd1 s ASP 33 CO 0.58 -1.73 2.23 1.21 0.21 0.00 0.00 175.17 177.68 1vd1 n GLU 34 N -1.78 3.20 -3.81 8.23 4.07 -1.26 -4.83 120.64 124.45 1vd1 n GLU 34 Ca 0.14 -2.82 -0.10 0.00 -0.06 0.00 0.00 57.16 54.33 1vd1 n GLU 34 Cb 0.50 -3.12 -0.05 0.00 -0.06 0.00 0.00 31.44 28.70 1vd1 n GLU 34 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1vd1 s ASP 35 N 2.40 -0.14 0.32 4.31 2.15 -1.26 -5.11 116.67 119.34 1vd1 s ASP 35 Ca 0.48 -0.61 -0.29 0.00 0.43 0.00 0.00 52.55 52.56 1vd1 s ASP 35 Cb 0.14 0.52 -0.10 0.00 -0.30 0.00 0.00 42.92 43.17 1vd1 s ASP 35 CO -0.06 -0.98 1.39 -0.36 -0.17 0.00 0.00 175.17 174.99 1vd1 s PHE 36 N -3.90 2.92 0.43 -5.34 0.40 -1.26 -4.41 117.98 106.81 1vd1 s PHE 36 Ca 0.12 1.25 0.07 0.00 -0.60 0.00 0.00 56.93 57.76 1vd1 s PHE 36 Cb 0.01 -3.81 -0.04 0.00 0.51 0.00 0.00 43.02 39.69 1vd1 s PHE 36 CO -0.02 -2.37 0.17 -1.54 0.70 0.00 0.00 175.22 172.16 1vd1 s SER 37 N -0.19 4.37 0.01 1.36 1.04 0.20 -4.90 113.70 115.59 1vd1 s SER 37 Ca 0.53 -1.17 -0.18 0.00 0.48 0.00 0.00 55.95 55.60 1vd1 s SER 37 Cb -0.42 -0.30 -0.06 0.00 0.10 0.00 0.00 66.02 65.34 1vd1 s SER 37 CO 0.53 -0.61 0.53 -0.63 0.98 0.00 0.00 173.24 174.04 1vd1 s ILE 38 N -2.65 4.91 -0.17 -1.02 1.01 0.65 -0.40 121.20 123.53 1vd1 s ILE 38 Ca 0.37 1.11 -0.12 0.00 0.00 0.00 0.00 60.65 62.00 1vd1 s ILE 38 Cb 0.04 -3.86 -0.07 0.00 0.01 0.00 0.00 42.46 38.58 1vd1 s ILE 38 CO 0.20 0.49 -0.27 1.57 0.00 0.00 0.00 174.94 176.93 1vd1 n HIS 39 N 2.29 0.00 -3.71 3.97 -0.00 0.27 -4.67 115.22 113.36 1vd1 n HIS 39 Ca -0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.60 1vd1 n HIS 39 Cb 0.51 -0.60 -0.01 0.00 -0.00 0.00 0.00 29.99 29.90 1vd1 n HIS 39 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1vd1 s GLY 40 N -5.08 -0.29 -0.29 1.57 0.00 -0.95 -5.01 107.32 97.27 1vd1 s GLY 40 Ca -0.26 0.30 0.02 0.00 0.00 0.00 0.00 44.72 44.77 1vd1 s GLY 40 CO 0.36 0.05 0.01 -2.27 0.00 0.00 0.00 173.10 171.24 1vd1 s LEU 41 N -2.96 3.45 -0.26 0.66 2.96 -1.26 -0.73 118.68 120.54 1vd1 s LEU 41 Ca 0.13 -1.67 -0.05 0.00 -0.22 0.00 0.00 54.13 52.32 1vd1 s LEU 41 Cb 0.01 -1.33 0.00 0.00 0.50 0.00 0.00 46.19 45.37 1vd1 s LEU 41 CO 0.00 -0.32 0.02 0.26 -1.32 0.00 0.00 176.35 174.99 1vd1 s TRP 42 N 1.22 3.07 0.44 5.38 0.51 0.25 -4.64 118.94 125.17 1vd1 s TRP 42 Ca 0.03 -1.05 -0.25 0.00 -2.12 0.00 0.00 56.10 52.71 1vd1 s TRP 42 Cb -0.19 -2.17 -0.08 0.00 -0.81 0.00 0.00 33.47 30.22 1vd1 s TRP 42 CO -0.11 -0.58 1.42 -2.14 -0.51 0.00 0.00 176.95 175.03 1vd1 s PRO 43 N 1.46 3.72 0.12 4.98 0.02 -1.26 -1.00 135.00 143.05 1vd1 s PRO 43 Ca 0.03 2.40 -0.10 0.00 0.02 0.00 0.00 61.00 63.35 1vd1 s PRO 43 Cb -0.16 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.69 1vd1 s PRO 43 CO -0.01 -0.78 0.25 1.21 -0.33 0.00 0.00 177.00 177.35 1vd1 s ASN 44 N -0.52 0.05 0.11 2.53 2.47 0.98 -4.34 114.94 116.22 1vd1 s ASN 44 Ca 0.60 -0.69 0.05 0.00 0.42 0.00 0.00 52.86 53.25 1vd1 s ASN 44 Cb -0.43 0.39 -0.04 0.00 -1.45 0.00 0.00 41.25 39.72 1vd1 s ASN 44 CO 0.56 -0.81 0.00 -0.31 -3.72 0.00 0.00 177.10 172.82 1vd1 s TYR 45 N -3.89 2.97 -0.32 0.43 4.12 -0.03 -1.29 117.35 119.34 1vd1 s TYR 45 Ca 0.09 -0.04 0.25 0.00 0.02 0.00 0.00 57.07 57.38 1vd1 s TYR 45 Cb 0.04 -1.51 1.12 0.00 -1.52 0.00 0.00 41.96 40.08 1vd1 s TYR 45 CO -0.07 0.48 1.74 0.93 0.02 0.00 0.00 175.55 178.66 1vd1 h GLU 46 N 3.29 0.00 -0.17 -0.62 5.08 -1.95 -2.08 114.58 118.13 1vd1 h GLU 46 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1vd1 h GLU 46 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1vd1 h GLU 46 CO 0.59 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.87 1vd1 n ASN 47 N -2.35 0.99 0.00 1.42 0.23 -1.26 -4.84 115.26 109.45 1vd1 n ASN 47 Ca 0.01 -1.93 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 1vd1 n ASN 47 Cb 0.18 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1vd1 n ASN 47 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1vd1 n GLY 48 N 0.83 2.05 4.01 4.83 0.00 -0.78 -5.04 105.19 111.09 1vd1 n GLY 48 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1vd1 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vd1 s LYS 49 N -0.50 2.07 0.10 1.61 1.02 -1.26 -4.89 119.74 117.88 1vd1 s LYS 49 Ca 0.00 -1.31 -0.21 0.00 0.02 0.00 0.00 55.97 54.46 1vd1 s LYS 49 Cb 0.00 -2.50 0.05 0.00 -0.52 0.00 0.00 37.83 34.87 1vd1 s LYS 49 CO 0.00 -1.08 0.52 1.67 -0.92 0.00 0.00 175.35 175.54 1vd1 s TRP 50 N -2.87 -0.42 0.42 3.18 -2.14 -1.26 -0.85 118.94 115.00 1vd1 s TRP 50 Ca 0.63 0.32 -0.11 0.00 2.66 0.00 0.00 56.10 59.60 1vd1 s TRP 50 Cb -0.06 0.39 -0.06 0.00 -3.10 0.00 0.00 33.47 30.64 1vd1 s TRP 50 CO 0.41 -0.72 0.79 -1.25 -2.66 0.00 0.00 176.95 173.52 1vd1 s PRO 51 N -3.13 3.78 -0.05 3.25 0.04 -1.26 -4.98 135.00 132.64 1vd1 s PRO 51 Ca -0.02 0.50 -0.30 0.00 0.04 0.00 0.00 61.00 61.22 1vd1 s PRO 51 Cb -0.00 -2.36 0.08 0.00 0.04 0.00 0.00 34.50 32.25 1vd1 s PRO 51 CO -0.07 -0.07 0.71 1.14 0.04 0.00 0.00 177.00 178.75 1vd1 s GLN 52 N -3.94 1.02 -1.24 4.56 -2.07 -1.26 -4.83 119.66 111.90 1vd1 s GLN 52 Ca 0.52 0.19 -0.01 0.00 -1.82 0.00 0.00 55.36 54.24 1vd1 s GLN 52 Cb -0.10 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.30 1vd1 s GLN 52 CO 0.32 -0.33 0.94 0.09 -1.32 0.00 0.00 175.29 175.00 1vd1 n ASN 53 N 0.79 -2.14 0.00 12.60 5.03 0.29 -4.90 115.26 126.93 1vd1 n ASN 53 Ca -0.18 -0.66 0.10 0.00 0.87 0.00 0.00 54.58 54.71 1vd1 n ASN 53 Cb 0.58 -4.87 0.49 0.00 -1.02 0.00 0.00 39.78 34.96 1vd1 n ASN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1vd1 s ASP 55 N -2.82 -0.98 0.00 0.00 -1.08 -1.26 -4.94 116.67 105.59 1vd1 s ASP 55 Ca 0.15 -1.86 0.05 0.00 -0.52 0.00 0.00 52.55 50.37 1vd1 s ASP 55 Cb 0.14 1.53 0.27 0.00 -1.46 0.00 0.00 42.92 43.40 1vd1 s ASP 55 CO 0.36 -0.08 0.66 0.54 0.52 0.00 0.00 175.17 177.17 1vd1 n ARG 56 N 3.07 0.36 -0.02 4.34 1.74 -1.26 -1.82 116.66 123.08 1vd1 n ARG 56 Ca 0.19 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.31 1vd1 n ARG 56 Cb 0.55 -1.19 -0.09 0.00 -1.02 0.00 0.00 32.46 30.70 1vd1 n ARG 56 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1vd1 n GLU 57 N -0.69 0.74 -2.69 5.56 1.02 -1.26 -4.87 120.64 118.45 1vd1 n GLU 57 Ca 0.03 -0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 1vd1 n GLU 57 Cb 0.02 -1.29 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 1vd1 n GLU 57 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1vd1 s SER 58 N -3.62 6.66 0.83 1.62 0.15 -0.75 -5.01 113.70 113.58 1vd1 s SER 58 Ca -0.05 -1.96 -0.11 0.00 0.70 0.00 0.00 55.95 54.53 1vd1 s SER 58 Cb 0.07 -2.51 0.09 0.00 -1.71 0.00 0.00 66.02 61.96 1vd1 s SER 58 CO 0.50 -1.25 1.09 -0.94 1.20 0.00 0.00 173.24 173.84 1vd1 s SER 59 N 4.27 4.12 -0.13 5.45 1.04 -1.26 -4.77 113.70 122.42 1vd1 s SER 59 Ca 0.44 1.38 -0.29 0.00 0.48 0.00 0.00 55.95 57.96 1vd1 s SER 59 Cb -0.01 -2.10 -0.03 0.00 0.10 0.00 0.00 66.02 63.99 1vd1 s SER 59 CO -0.05 -2.21 1.36 -0.22 0.98 0.00 0.00 173.24 173.10 1vd1 s LEU 60 N -5.94 4.23 -0.62 2.42 2.96 -1.26 -4.98 118.68 115.48 1vd1 s LEU 60 Ca 0.62 1.85 -0.16 0.00 -0.22 0.00 0.00 54.13 56.22 1vd1 s LEU 60 Cb -0.16 -3.54 0.15 0.00 0.50 0.00 0.00 46.19 43.15 1vd1 s LEU 60 CO 0.55 -0.80 0.58 -0.62 -1.32 0.00 0.00 176.35 174.75 1vd1 s ASP 61 N 2.30 6.34 0.64 3.68 2.15 -1.26 -4.93 116.67 125.59 1vd1 s ASP 61 Ca 0.60 -2.00 0.38 0.00 0.43 0.00 0.00 52.55 51.96 1vd1 s ASP 61 Cb -0.25 -2.22 2.15 0.00 -0.30 0.00 0.00 42.92 42.30 1vd1 s ASP 61 CO 0.19 -0.80 2.29 -0.33 -0.17 0.00 0.00 175.17 176.35 1vd1 h GLU 62 N 8.63 0.00 0.00 4.34 5.08 -1.97 -1.74 114.58 128.91 1vd1 h GLU 62 Ca -0.19 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 1vd1 h GLU 62 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1vd1 h GLU 62 CO 0.97 0.00 -0.36 0.66 -1.00 0.00 0.00 179.01 179.29 1vd1 h SER 63 N 0.00 0.00 1.22 1.42 4.64 -1.98 -0.05 113.55 118.80 1vd1 h SER 63 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1vd1 h SER 63 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1vd1 h SER 63 CO -0.00 0.36 0.00 -0.33 -0.87 0.00 0.00 176.83 175.99 1vd1 h GLU 64 N 0.00 0.00 0.00 4.77 5.08 -1.74 -3.18 114.58 119.51 1vd1 h GLU 64 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1vd1 h GLU 64 Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1vd1 h GLU 64 CO 0.05 0.00 -0.16 0.44 -1.00 0.00 0.00 179.01 178.34 1vd1 n ILE 65 N -3.09 1.33 -0.23 3.13 -5.35 -0.94 -4.63 119.36 109.57 1vd1 n ILE 65 Ca 0.01 -1.61 -0.08 0.00 -0.27 0.00 0.00 62.75 60.81 1vd1 n ILE 65 Cb 0.35 -0.02 -0.03 0.00 -1.74 0.00 0.00 39.64 38.21 1vd1 n ILE 65 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1vd1 h SER 66 N 0.01 -1.48 0.04 7.28 0.02 -0.99 0.25 113.55 118.67 1vd1 h SER 66 Ca -0.00 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1vd1 h SER 66 Cb 1.12 0.69 0.00 0.00 0.14 0.00 0.00 62.40 64.35 1vd1 h SER 66 CO 0.00 -0.32 0.00 -0.90 -1.14 0.00 0.00 176.83 174.47 1vd1 n ASP 67 N -5.41 0.00 -0.00 3.07 5.75 -1.26 -2.27 116.55 116.43 1vd1 n ASP 67 Ca 0.03 -0.46 0.06 0.00 -0.01 0.00 0.00 54.79 54.41 1vd1 n ASP 67 Cb 0.35 -0.03 -0.08 0.00 -1.03 0.00 0.00 41.12 40.32 1vd1 n ASP 67 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1vd1 n LEU 68 N -1.03 0.43 -0.13 -2.12 4.77 0.80 -4.69 117.00 115.03 1vd1 n LEU 68 Ca 0.12 -0.36 -0.04 0.00 -0.03 0.00 0.00 56.01 55.71 1vd1 n LEU 68 Cb 0.07 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1vd1 n LEU 68 CO 0.10 0.11 0.88 0.40 -1.33 0.00 0.00 177.39 177.55 1vd1 h ILE 69 N 0.00 0.72 -0.63 -0.08 1.08 -0.94 -1.10 117.51 116.56 1vd1 h ILE 69 Ca 0.00 -0.06 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1vd1 h ILE 69 Cb 0.39 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 1vd1 h ILE 69 CO 0.00 0.03 0.29 0.77 -0.69 0.00 0.00 178.15 178.55 1vd1 h SER 70 N 0.17 0.81 -0.35 1.72 4.64 -1.84 -0.28 113.55 118.41 1vd1 h SER 70 Ca 0.22 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.32 1vd1 h SER 70 Cb 0.29 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1vd1 h SER 70 CO -0.32 0.69 -0.28 0.74 -0.87 0.00 0.00 176.83 176.79 1vd1 h THR 71 N 0.89 1.29 -0.11 2.95 2.02 -1.75 -3.08 112.91 115.11 1vd1 h THR 71 Ca 0.22 -1.44 -0.09 0.00 0.77 0.00 0.00 66.41 65.86 1vd1 h THR 71 Cb 0.11 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1vd1 h THR 71 CO -0.03 0.47 -0.35 0.24 0.37 0.00 0.00 175.52 176.23 1vd1 h MET 72 N 0.59 0.23 0.00 6.66 2.07 -0.81 0.12 114.93 123.79 1vd1 h MET 72 Ca 0.06 -0.10 -0.02 0.00 -2.07 0.00 0.00 59.70 57.58 1vd1 h MET 72 Cb 0.86 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.57 1vd1 h MET 72 CO 0.07 0.56 -0.10 0.93 1.07 0.00 0.00 176.91 179.44 1vd1 h GLU 73 N 0.20 0.00 0.03 1.72 5.08 -0.97 0.47 114.58 121.10 1vd1 h GLU 73 Ca 0.02 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.02 1vd1 h GLU 73 Cb 0.72 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 1vd1 h GLU 73 CO 0.05 0.10 -2.23 1.63 -1.00 0.00 0.00 179.01 177.57 1vd1 n LYS 74 N -3.76 0.68 0.00 2.33 4.76 -0.85 -3.99 118.16 117.33 1vd1 n LYS 74 Ca -0.02 0.15 0.11 0.00 -2.87 0.00 0.00 58.31 55.68 1vd1 n LYS 74 Cb 0.21 -1.60 -0.11 0.00 -1.84 0.00 0.00 35.03 31.68 1vd1 n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1vd1 n ASN 75 N -3.13 0.58 -2.65 4.39 3.02 0.35 -4.45 115.26 113.37 1vd1 n ASN 75 Ca -0.35 -0.51 -0.11 0.00 -0.03 0.00 0.00 54.58 53.59 1vd1 n ASN 75 Cb 1.06 1.31 0.03 0.00 -0.61 0.00 0.00 39.78 41.56 1vd1 n ASN 75 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1vd1 n TRP 76 N -1.85 1.38 -1.58 3.10 -0.00 0.16 -0.26 117.44 118.40 1vd1 n TRP 76 Ca 0.01 -2.83 -0.33 0.00 -0.00 0.00 0.00 57.50 54.35 1vd1 n TRP 76 Cb 0.43 -0.35 0.07 0.00 -0.00 0.00 0.00 31.31 31.46 1vd1 n TRP 76 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1vd1 s PRO 77 N -3.16 2.55 -0.19 5.87 0.04 -1.19 -4.72 135.00 134.20 1vd1 s PRO 77 Ca 0.29 1.38 -0.09 0.00 0.04 0.00 0.00 61.00 62.62 1vd1 s PRO 77 Cb 0.45 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 33.02 1vd1 s PRO 77 CO 0.02 -1.44 0.13 0.45 0.04 0.00 0.00 177.00 176.19 1vd1 s SER 78 N -2.72 6.20 0.00 6.66 0.15 -1.26 -4.96 113.70 117.76 1vd1 s SER 78 Ca 0.66 0.25 0.13 0.00 0.70 0.00 0.00 55.95 57.69 1vd1 s SER 78 Cb -0.21 -2.08 0.27 0.00 -1.71 0.00 0.00 66.02 62.30 1vd1 s SER 78 CO 0.46 0.21 1.16 0.18 1.20 0.00 0.00 173.24 176.45 1vd1 n LEU 79 N 3.33 2.74 -4.79 3.45 4.77 -1.26 -3.94 117.00 121.30 1vd1 n LEU 79 Ca -0.17 -1.63 -0.30 0.00 -0.03 0.00 0.00 56.01 53.88 1vd1 n LEU 79 Cb 0.52 -0.18 0.10 0.00 -2.33 0.00 0.00 43.42 41.54 1vd1 n LEU 79 CO 0.36 0.63 0.71 0.00 -1.33 0.00 0.00 177.39 177.76 1vd1 s ALA 80 N -1.04 2.15 0.02 -1.18 0.00 -1.26 0.25 121.76 120.71 1vd1 s ALA 80 Ca 0.23 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.05 1vd1 s ALA 80 Cb 0.13 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 1vd1 s ALA 80 CO 0.18 -1.82 -0.07 0.00 0.00 0.00 0.00 175.76 174.05 1vd1 s PRO 82 N -1.57 1.17 0.23 0.00 0.04 -1.26 -5.05 135.00 128.56 1vd1 s PRO 82 Ca 0.18 0.51 -0.32 0.00 0.04 0.00 0.00 61.00 61.41 1vd1 s PRO 82 Cb -0.11 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.48 1vd1 s PRO 82 CO 0.09 -2.22 1.61 0.43 0.04 0.00 0.00 177.00 176.94 1vd1 n SER 83 N -3.82 3.59 -4.11 6.66 7.64 -1.26 -4.98 113.62 117.35 1vd1 n SER 83 Ca 0.06 1.11 -0.22 0.00 1.01 0.00 0.00 58.87 60.83 1vd1 n SER 83 Cb 0.57 -1.53 -0.09 0.00 -1.01 0.00 0.00 64.21 62.15 1vd1 n SER 83 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1vd1 s SER 84 N 0.76 2.20 0.00 6.43 1.04 -1.26 -4.75 113.70 118.12 1vd1 s SER 84 Ca 0.71 -1.58 0.29 0.00 0.48 0.00 0.00 55.95 55.85 1vd1 s SER 84 Cb -0.56 0.36 1.22 0.00 0.10 0.00 0.00 66.02 67.14 1vd1 s SER 84 CO 0.41 -0.86 1.85 -0.90 0.98 0.00 0.00 173.24 174.72 1vd1 n ASP 85 N -1.06 0.66 0.00 7.02 5.68 -1.26 -1.51 116.55 126.08 1vd1 n ASP 85 Ca -0.02 -0.82 0.00 0.00 -0.50 0.00 0.00 54.79 53.45 1vd1 n ASP 85 Cb 0.65 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1vd1 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vd1 n GLY 86 N 1.24 2.65 0.33 6.12 0.00 -1.26 -4.84 105.19 109.43 1vd1 n GLY 86 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1vd1 n GLY 86 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vd1 h VAL 87 N 0.00 0.86 -0.70 1.61 2.07 -1.96 0.77 116.25 118.91 1vd1 h VAL 87 Ca 0.00 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1vd1 h VAL 87 Cb 0.00 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.69 1vd1 h VAL 87 CO 0.00 0.15 0.37 -0.09 0.02 0.00 0.00 177.57 178.02 1vd1 h ARG 88 N 0.83 0.99 -0.41 1.57 2.43 -1.98 0.25 114.38 118.06 1vd1 h ARG 88 Ca 0.46 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.45 1vd1 h ARG 88 Cb 0.50 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1vd1 h ARG 88 CO -0.29 0.76 0.06 0.35 -1.51 0.00 0.00 179.97 179.34 1vd1 h PHE 89 N 0.97 0.73 -0.36 2.20 3.57 -1.58 -1.25 116.94 121.21 1vd1 h PHE 89 Ca 0.25 -0.10 -0.13 0.00 3.53 0.00 0.00 57.97 61.51 1vd1 h PHE 89 Cb 0.07 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1vd1 h PHE 89 CO -0.00 0.71 -0.30 -1.49 -2.23 0.00 0.00 178.31 175.01 1vd1 h TRP 90 N 0.53 0.90 -0.77 0.41 6.55 -0.57 -1.75 115.95 121.26 1vd1 h TRP 90 Ca 0.12 -0.23 -0.03 0.00 0.95 0.00 0.00 58.89 59.71 1vd1 h TRP 90 Cb 0.38 -0.21 -0.04 0.00 -0.86 0.00 0.00 29.16 28.44 1vd1 h TRP 90 CO 0.03 0.98 0.38 1.03 -1.05 0.00 0.00 178.44 179.80 1vd1 h SER 91 N 0.66 1.00 -0.09 -3.49 0.87 -0.38 0.76 113.55 112.89 1vd1 h SER 91 Ca 0.08 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1vd1 h SER 91 Cb 0.83 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1vd1 h SER 91 CO 0.07 0.85 0.04 -0.74 -0.53 0.00 0.00 176.83 176.52 1vd1 h HIS 92 N 1.09 0.12 -0.39 2.24 -0.00 -0.97 -0.37 115.15 116.88 1vd1 h HIS 92 Ca 0.27 -0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.53 1vd1 h HIS 92 Cb 0.11 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.46 1vd1 h HIS 92 CO 0.01 0.20 -0.17 0.93 -0.00 0.00 0.00 177.93 178.89 1vd1 h GLU 93 N 0.02 0.73 0.06 5.26 4.39 -1.11 -0.56 114.58 123.36 1vd1 h GLU 93 Ca 0.03 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.46 1vd1 h GLU 93 Cb 0.12 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1vd1 h GLU 93 CO -0.00 0.86 -0.03 2.35 -1.16 0.00 0.00 179.01 181.03 1vd1 h TRP 94 N 0.65 -0.07 -0.18 4.33 2.91 -0.71 0.23 115.95 123.11 1vd1 h TRP 94 Ca 0.10 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.10 1vd1 h TRP 94 Cb 0.66 0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.32 1vd1 h TRP 94 CO 0.03 0.20 0.04 -0.07 -1.03 0.00 0.00 178.44 177.61 1vd1 h LEU 95 N -0.34 0.28 -0.27 0.65 3.38 -1.02 0.27 115.31 118.26 1vd1 h LEU 95 Ca -0.01 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 1vd1 h LEU 95 Cb 0.30 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1vd1 h LEU 95 CO 0.01 0.45 -0.34 0.50 0.09 0.00 0.00 178.44 179.15 1vd1 h LYS 96 N 0.10 0.71 0.00 1.13 3.64 -1.15 -3.30 116.57 117.71 1vd1 h LYS 96 Ca 0.06 -0.40 -0.11 0.00 -1.27 0.00 0.00 60.65 58.93 1vd1 h LYS 96 Cb 0.28 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1vd1 h LYS 96 CO 0.00 1.02 -1.38 0.72 -2.27 0.00 0.00 179.45 177.54 1vd1 n HIS 97 N -4.23 0.00 -0.32 1.91 8.25 -0.05 -0.54 115.22 120.24 1vd1 n HIS 97 Ca -0.04 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.46 1vd1 n HIS 97 Cb 0.50 -0.25 0.19 0.00 1.12 0.00 0.00 29.99 31.56 1vd1 n HIS 97 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1vd1 h GLY 98 N 0.01 1.41 2.00 -1.41 0.00 0.24 -0.37 103.07 104.95 1vd1 h GLY 98 Ca -0.17 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1vd1 h GLY 98 CO -0.08 0.14 0.00 -0.91 0.00 0.00 0.00 176.54 175.69 1vd1 h THR 99 N 0.86 0.00 -0.04 4.70 1.35 -0.74 -1.13 112.91 117.91 1vd1 h THR 99 Ca 0.43 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 66.21 1vd1 h THR 99 Cb 0.41 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1vd1 h THR 99 CO -0.26 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.01 1vd1 n SER 101 N 1.33 0.40 0.00 0.00 3.41 -0.43 -4.83 113.62 113.51 1vd1 n SER 101 Ca 0.14 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1vd1 n SER 101 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1vd1 n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vd1 n ALA 102 N -1.38 0.00 -2.79 7.33 0.00 -1.26 -4.98 120.51 117.43 1vd1 n ALA 102 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.22 1vd1 n ALA 102 Cb 0.33 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 1vd1 n ALA 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1vd1 s LEU 103 N 0.00 3.83 0.83 0.00 1.43 -1.26 -5.10 118.68 118.41 1vd1 s LEU 103 Ca 0.00 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 1vd1 s LEU 103 Cb 0.00 -2.49 0.09 0.00 0.03 0.00 0.00 46.19 43.82 1vd1 s LEU 103 CO 0.00 0.13 1.09 -0.83 0.23 0.00 0.00 176.35 176.97 1vd1 s GLY 104 N -2.66 1.63 0.17 -3.19 0.00 -1.26 -4.76 107.32 97.25 1vd1 s GLY 104 Ca 0.30 -0.04 -0.15 0.00 0.00 0.00 0.00 44.72 44.83 1vd1 s GLY 104 CO 0.23 0.39 1.72 -2.09 0.00 0.00 0.00 173.10 173.35 1vd1 h GLU 105 N -1.26 0.19 -0.19 2.90 4.81 -1.98 -0.89 114.58 118.16 1vd1 h GLU 105 Ca -0.47 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1vd1 h GLU 105 Cb 1.26 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1vd1 h GLU 105 CO 0.56 0.13 0.09 -0.09 -0.73 0.00 0.00 179.01 178.96 1vd1 h ARG 106 N 0.20 0.28 -0.83 1.92 2.43 -1.92 -2.59 114.38 113.88 1vd1 h ARG 106 Ca 0.20 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1vd1 h ARG 106 Cb 0.24 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 1vd1 h ARG 106 CO -0.26 0.32 0.54 0.00 -1.51 0.00 0.00 179.97 179.05 1vd1 h ALA 107 N 0.95 1.50 0.21 2.80 0.00 -1.87 0.33 119.26 123.18 1vd1 h ALA 107 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1vd1 h ALA 107 Cb 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1vd1 h ALA 107 CO -0.01 0.42 -0.10 -0.92 0.00 0.00 0.00 179.25 178.64 1vd1 h TYR 108 N 1.02 -0.26 -0.16 0.00 3.20 -0.95 0.85 116.97 120.67 1vd1 h TYR 108 Ca 0.33 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.06 1vd1 h TYR 108 Cb 0.04 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1vd1 h TYR 108 CO -0.00 -0.08 -0.47 0.74 -1.64 0.00 0.00 178.16 176.71 1vd1 h PHE 109 N -0.40 0.48 -0.64 -3.82 -1.00 -1.20 -2.28 116.94 108.08 1vd1 h PHE 109 Ca -0.03 -0.15 -0.06 0.00 2.81 0.00 0.00 57.97 60.54 1vd1 h PHE 109 Cb 0.31 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 39.74 1vd1 h PHE 109 CO -0.03 0.80 0.16 1.96 -1.61 0.00 0.00 178.31 179.59 1vd1 h GLN 110 N 0.32 1.02 -0.28 1.51 4.20 -0.85 -1.74 115.11 119.29 1vd1 h GLN 110 Ca 0.02 -0.24 0.04 0.00 0.06 0.00 0.00 58.65 58.53 1vd1 h GLN 110 Cb 0.95 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.55 1vd1 h GLN 110 CO 0.08 0.92 0.03 0.00 -0.67 0.00 0.00 178.83 179.19 1vd1 h ALA 111 N 1.06 0.27 -0.20 3.87 0.00 -0.57 0.29 119.26 123.97 1vd1 h ALA 111 Ca 0.20 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1vd1 h ALA 111 Cb 0.35 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1vd1 h ALA 111 CO 0.00 -0.39 0.07 0.00 0.00 0.00 0.00 179.25 178.93 1vd1 h ALA 112 N 1.22 0.22 -0.64 0.00 0.00 -1.14 -0.52 119.26 118.40 1vd1 h ALA 112 Ca 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1vd1 h ALA 112 Cb 0.16 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1vd1 h ALA 112 CO -0.20 -0.36 0.37 -0.07 0.00 0.00 0.00 179.25 178.99 1vd1 h LEU 113 N 0.16 0.78 -0.59 0.00 3.38 -0.88 -1.38 115.31 116.79 1vd1 h LEU 113 Ca 0.09 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1vd1 h LEU 113 Cb 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1vd1 h LEU 113 CO -0.09 0.62 0.23 0.44 0.09 0.00 0.00 178.44 179.73 1vd1 h ASP 114 N 0.86 0.82 0.58 -0.43 3.32 -0.05 -2.12 116.42 119.40 1vd1 h ASP 114 Ca 0.23 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 1vd1 h ASP 114 Cb 0.00 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1vd1 h ASP 114 CO -0.04 0.77 -0.61 -0.26 -1.72 0.00 0.00 179.24 177.38 1vd1 h PHE 115 N 0.81 0.04 -0.32 4.55 -1.00 -0.92 0.11 116.94 120.22 1vd1 h PHE 115 Ca 0.19 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.94 1vd1 h PHE 115 Cb 0.21 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 1vd1 h PHE 115 CO 0.01 0.64 0.13 -0.09 -1.61 0.00 0.00 178.31 177.39 1vd1 h ARG 116 N 0.03 0.47 -0.38 1.51 2.43 -1.03 -0.13 114.38 117.28 1vd1 h ARG 116 Ca -0.01 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 1vd1 h ARG 116 Cb 1.09 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1vd1 h ARG 116 CO 0.08 0.48 0.00 -0.22 -1.51 0.00 0.00 179.97 178.80 1vd1 h LYS 117 N 0.36 0.67 -0.35 0.20 3.64 -1.19 -2.56 116.57 117.34 1vd1 h LYS 117 Ca 0.11 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1vd1 h LYS 117 Cb 0.18 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1vd1 h LYS 117 CO -0.01 0.77 0.19 0.87 -2.27 0.00 0.00 179.45 178.99 1vd1 h LYS 118 N 0.49 0.49 0.00 1.90 1.57 -0.61 -2.65 116.57 117.76 1vd1 h LYS 118 Ca 0.11 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1vd1 h LYS 118 Cb 0.46 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1vd1 h LYS 118 CO 0.02 0.42 -0.20 0.66 -0.57 0.00 0.00 179.45 179.78 1vd1 h SER 119 N 0.44 0.00 -7.02 0.86 4.64 -1.00 -3.47 113.55 108.00 1vd1 h SER 119 Ca 0.12 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.03 1vd1 h SER 119 Cb 0.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1vd1 h SER 119 CO -0.02 0.20 -0.68 -3.20 -0.87 0.00 0.00 176.83 172.26 1vd1 n ASN 120 N -4.12 -2.20 0.22 4.97 5.15 -0.97 -4.71 115.26 113.59 1vd1 n ASN 120 Ca -0.02 -0.88 -0.15 0.00 -0.60 0.00 0.00 54.58 52.92 1vd1 n ASN 120 Cb 0.27 -1.06 -0.07 0.00 -0.53 0.00 0.00 39.78 38.38 1vd1 n ASN 120 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1vd1 h LEU 121 N -0.80 -0.88 -0.57 1.20 3.38 -1.90 -2.31 115.31 113.43 1vd1 h LEU 121 Ca -0.48 0.07 0.11 0.00 0.09 0.00 0.00 57.88 57.68 1vd1 h LEU 121 Cb 0.95 0.29 -0.09 0.00 0.09 0.00 0.00 40.66 41.90 1vd1 h LEU 121 CO 0.37 -0.47 0.08 0.25 0.09 0.00 0.00 178.44 178.76 1vd1 h LEU 122 N -0.70 -0.09 -0.43 1.67 5.85 -1.96 -0.78 115.31 118.87 1vd1 h LEU 122 Ca -0.02 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1vd1 h LEU 122 Cb 0.63 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1vd1 h LEU 122 CO -0.05 -0.03 0.02 -0.33 -0.34 0.00 0.00 178.44 177.71 1vd1 h GLU 123 N 0.20 0.75 -0.73 1.25 4.39 -1.94 -1.12 114.58 117.39 1vd1 h GLU 123 Ca 0.30 -0.23 0.02 0.00 0.34 0.00 0.00 59.36 59.79 1vd1 h GLU 123 Cb 0.45 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 1vd1 h GLU 123 CO -0.42 0.81 0.48 -0.91 -1.16 0.00 0.00 179.01 177.81 1vd1 h ASN 124 N 0.59 0.81 -0.29 1.42 2.35 -0.79 0.10 115.58 119.77 1vd1 h ASN 124 Ca 0.13 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 1vd1 h ASN 124 Cb 0.46 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 1vd1 h ASN 124 CO 0.02 0.57 -0.29 -0.07 -1.65 0.00 0.00 177.43 176.01 1vd1 h LEU 125 N 0.95 0.76 -0.95 1.61 3.38 -0.96 -3.05 115.31 117.04 1vd1 h LEU 125 Ca 0.28 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1vd1 h LEU 125 Cb -0.04 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1vd1 h LEU 125 CO -0.07 1.07 0.62 0.11 0.09 0.00 0.00 178.44 180.27 1vd1 h LYS 126 N 0.45 1.22 0.00 1.13 1.57 -0.23 0.11 116.57 120.82 1vd1 h LYS 126 Ca 0.05 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1vd1 h LYS 126 Cb 0.86 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1vd1 h LYS 126 CO 0.07 0.81 0.00 0.09 -0.57 0.00 0.00 179.45 179.85 1vd1 n ASN 127 N -4.44 0.15 -0.57 0.86 3.02 0.27 -0.85 115.26 113.69 1vd1 n ASN 127 Ca 0.11 0.56 0.06 0.00 -0.03 0.00 0.00 54.58 55.29 1vd1 n ASN 127 Cb 0.04 -0.58 0.19 0.00 -0.61 0.00 0.00 39.78 38.82 1vd1 n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vd1 n ALA 128 N -1.57 3.05 -3.25 5.41 0.00 -0.10 -4.96 120.51 119.10 1vd1 n ALA 128 Ca 0.00 -2.74 -0.23 0.00 0.00 0.00 0.00 53.44 50.47 1vd1 n ALA 128 Cb 0.04 -0.53 0.02 0.00 0.00 0.00 0.00 19.45 18.98 1vd1 n ALA 128 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vd1 n GLU 129 N -1.08 -4.30 -3.73 0.00 1.02 -0.03 -4.94 120.64 107.58 1vd1 n GLU 129 Ca 0.21 0.68 -0.37 0.00 -0.02 0.00 0.00 57.16 57.66 1vd1 n GLU 129 Cb 0.79 -5.48 -0.11 0.00 -0.02 0.00 0.00 31.44 26.62 1vd1 n GLU 129 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1vd1 s ILE 130 N -3.07 3.50 0.15 -3.67 1.01 -0.46 -5.01 121.20 113.65 1vd1 s ILE 130 Ca 0.38 -2.04 0.08 0.00 0.00 0.00 0.00 60.65 59.07 1vd1 s ILE 130 Cb -0.18 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1vd1 s ILE 130 CO 0.46 -0.72 -0.18 0.42 0.00 0.00 0.00 174.94 174.92 1vd1 s THR 131 N 1.14 1.73 0.32 2.92 -4.23 -1.26 -3.43 115.64 112.82 1vd1 s THR 131 Ca 0.08 -1.81 -0.28 0.00 -1.18 0.00 0.00 61.69 58.50 1vd1 s THR 131 Cb -0.23 -1.74 -0.13 0.00 1.34 0.00 0.00 72.50 71.74 1vd1 s THR 131 CO -0.03 -0.28 1.21 -2.65 -0.54 0.00 0.00 174.62 172.33 1vd1 n PRO 132 N 0.48 1.89 -3.60 3.99 -0.02 -1.25 -4.90 135.00 131.58 1vd1 n PRO 132 Ca -0.15 0.66 -0.04 0.00 -2.02 0.00 0.00 63.50 61.95 1vd1 n PRO 132 Cb 0.56 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 1vd1 n PRO 132 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1vd1 s ARG 133 N -1.71 0.27 0.54 -0.52 1.70 0.12 -4.79 118.95 114.56 1vd1 s ARG 133 Ca 0.57 -0.07 -0.18 0.00 -0.47 0.00 0.00 55.73 55.58 1vd1 s ARG 133 Cb -0.61 0.12 -0.06 0.00 -0.57 0.00 0.00 34.95 33.83 1vd1 s ARG 133 CO 0.61 -0.11 1.06 -0.80 -1.08 0.00 0.00 175.30 174.98 1vd1 s ASN 134 N -1.91 6.01 0.00 -2.89 0.02 -1.26 -3.66 114.94 111.25 1vd1 s ASN 134 Ca 0.09 1.94 0.00 0.00 -1.02 0.00 0.00 52.86 53.87 1vd1 s ASN 134 Cb -0.01 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.71 1vd1 s ASN 134 CO -0.05 -1.01 0.00 0.61 0.02 0.00 0.00 177.10 176.67 1vd1 n GLY 135 N -0.42 -0.87 3.34 0.66 0.00 -1.26 -4.68 105.19 101.97 1vd1 n GLY 135 Ca 0.10 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1vd1 n GLY 135 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vd1 n GLU 136 N -0.47 3.10 0.05 1.61 1.02 -1.26 -4.05 120.64 120.64 1vd1 n GLU 136 Ca 0.00 -3.09 0.12 0.00 -0.02 0.00 0.00 57.16 54.17 1vd1 n GLU 136 Cb 0.00 -3.44 0.12 0.00 -0.02 0.00 0.00 31.44 28.09 1vd1 n GLU 136 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1vd1 n HIS 137 N 7.77 0.43 -4.62 -0.32 -0.00 -1.12 -4.53 115.22 112.83 1vd1 n HIS 137 Ca 0.50 0.13 -0.30 0.00 0.46 0.00 0.00 57.72 58.50 1vd1 n HIS 137 Cb 0.44 -0.56 -0.13 0.00 -0.12 0.00 0.00 29.99 29.62 1vd1 n HIS 137 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1vd1 s TYR 138 N -3.18 2.43 0.31 1.57 1.51 -0.77 -4.95 117.35 114.29 1vd1 s TYR 138 Ca 0.05 -0.33 -0.27 0.00 -1.01 0.00 0.00 57.07 55.52 1vd1 s TYR 138 Cb 0.14 -1.38 -0.10 0.00 -0.11 0.00 0.00 41.96 40.51 1vd1 s TYR 138 CO 0.75 0.26 0.95 0.95 -1.11 0.00 0.00 175.55 177.35 1vd1 s THR 139 N -0.95 4.17 0.24 -0.71 -4.23 -1.26 0.62 115.64 113.50 1vd1 s THR 139 Ca 0.14 1.85 -0.07 0.00 -1.18 0.00 0.00 61.69 62.43 1vd1 s THR 139 Cb -0.10 -4.05 0.22 0.00 1.34 0.00 0.00 72.50 69.91 1vd1 s THR 139 CO 0.05 0.19 1.87 0.25 -0.54 0.00 0.00 174.62 176.44 1vd1 h LEU 140 N 3.30 1.14 -0.57 4.79 5.85 -1.18 -2.56 115.31 126.08 1vd1 h LEU 140 Ca -0.47 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.22 1vd1 h LEU 140 Cb 1.19 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 1vd1 h LEU 140 CO 0.65 0.89 0.29 -0.33 -0.34 0.00 0.00 178.44 179.60 1vd1 h GLU 141 N 1.29 0.53 -0.78 1.25 4.39 -1.92 -0.47 114.58 118.86 1vd1 h GLU 141 Ca 0.33 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 1vd1 h GLU 141 Cb -0.01 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 1vd1 h GLU 141 CO -0.06 0.35 0.41 0.66 -1.16 0.00 0.00 179.01 179.21 1vd1 h SER 142 N 0.54 0.99 -0.25 1.42 4.64 -1.86 -1.78 113.55 117.25 1vd1 h SER 142 Ca 0.26 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 1vd1 h SER 142 Cb 0.18 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1vd1 h SER 142 CO -0.19 0.81 -0.06 0.40 -0.87 0.00 0.00 176.83 176.93 1vd1 h ILE 143 N 1.10 1.28 -0.57 0.95 2.04 -1.11 -1.98 117.51 119.21 1vd1 h ILE 143 Ca 0.27 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 1vd1 h ILE 143 Cb 0.06 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1vd1 h ILE 143 CO -0.04 0.33 0.28 0.11 0.00 0.00 0.00 178.15 178.83 1vd1 h LYS 144 N 0.24 0.82 -0.38 2.37 1.57 -0.85 -2.54 116.57 117.80 1vd1 h LYS 144 Ca 0.06 -0.12 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 1vd1 h LYS 144 Cb 0.52 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1vd1 h LYS 144 CO 0.02 0.66 -0.39 0.87 -0.57 0.00 0.00 179.45 180.05 1vd1 h LYS 145 N 0.77 0.94 -0.91 3.15 1.57 -1.35 -0.71 116.57 120.03 1vd1 h LYS 145 Ca 0.20 -0.50 0.05 0.00 -1.87 0.00 0.00 60.65 58.53 1vd1 h LYS 145 Cb 0.11 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.39 1vd1 h LYS 145 CO -0.03 1.15 0.60 0.00 -0.57 0.00 0.00 179.45 180.61 1vd1 h ALA 146 N 0.78 1.46 -0.09 3.86 0.00 -1.23 0.31 119.26 124.35 1vd1 h ALA 146 Ca 0.06 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1vd1 h ALA 146 Cb 0.99 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1vd1 h ALA 146 CO 0.10 0.43 -0.72 0.82 0.00 0.00 0.00 179.25 179.87 1vd1 h ILE 147 N 1.10 1.33 -0.97 0.00 2.04 -1.34 -3.16 117.51 116.49 1vd1 h ILE 147 Ca 0.38 -1.99 0.07 0.00 1.00 0.00 0.00 64.86 64.31 1vd1 h ILE 147 Cb 0.10 2.21 -0.07 0.00 -0.74 0.00 0.00 36.82 38.33 1vd1 h ILE 147 CO -0.13 0.61 0.62 -0.33 0.00 0.00 0.00 178.15 178.93 1vd1 h GLU 148 N 0.29 1.09 -0.06 2.37 5.08 -0.23 -1.34 114.58 121.77 1vd1 h GLU 148 Ca -0.07 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1vd1 h GLU 148 Cb 1.37 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 1vd1 h GLU 148 CO 0.15 0.72 -0.18 1.49 -1.00 0.00 0.00 179.01 180.19 1vd1 h GLU 149 N 1.12 -0.25 0.00 2.33 4.57 -0.40 0.39 114.58 122.35 1vd1 h GLU 149 Ca 0.43 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.59 1vd1 h GLU 149 Cb 0.19 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1vd1 h GLU 149 CO -0.18 -0.17 -0.15 0.78 -1.18 0.00 0.00 179.01 178.11 1vd1 h GLY 150 N -0.26 0.00 0.00 1.92 0.00 -1.49 -3.35 103.07 99.89 1vd1 h GLY 150 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.21 1vd1 h GLY 150 CO -0.21 0.00 -2.06 -0.62 0.00 0.00 0.00 176.54 173.64 1vd1 n VAL 151 N -3.14 0.72 -0.98 4.60 0.31 -0.53 -4.96 118.33 114.35 1vd1 n VAL 151 Ca 0.03 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1vd1 n VAL 151 Cb 0.58 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 1vd1 n VAL 151 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vd1 n GLY 152 N 1.72 0.53 3.16 2.92 0.00 0.14 -5.01 105.19 108.66 1vd1 n GLY 152 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 1vd1 n GLY 152 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vd1 s HIS 153 N -2.09 -0.13 0.13 1.61 3.76 -1.25 -4.99 115.29 112.34 1vd1 s HIS 153 Ca 0.00 0.23 -0.30 0.00 -0.15 0.00 0.00 55.06 54.85 1vd1 s HIS 153 Cb 0.00 0.04 -0.06 0.00 1.11 0.00 0.00 32.58 33.67 1vd1 s HIS 153 CO 0.00 -0.28 0.94 -1.54 -0.85 0.00 0.00 174.74 173.01 1vd1 s SER 154 N -0.93 7.50 0.39 1.40 1.04 -1.26 -4.20 113.70 117.63 1vd1 s SER 154 Ca -0.10 1.79 0.04 0.00 0.48 0.00 0.00 55.95 58.15 1vd1 s SER 154 Cb -0.05 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.48 1vd1 s SER 154 CO 0.02 -0.02 0.56 -2.16 0.98 0.00 0.00 173.24 172.62 1vd1 s PRO 155 N -0.20 3.10 -0.12 4.02 0.04 -1.26 -4.70 135.00 135.87 1vd1 s PRO 155 Ca 0.45 -0.76 -0.03 0.00 0.04 0.00 0.00 61.00 60.70 1vd1 s PRO 155 Cb -0.23 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.57 1vd1 s PRO 155 CO 0.30 -0.08 -0.03 -0.47 0.04 0.00 0.00 177.00 176.75 1vd1 s TYR 156 N -2.35 3.04 -0.19 0.56 5.04 -0.01 -4.93 117.35 118.52 1vd1 s TYR 156 Ca 0.46 -0.12 -0.05 0.00 -2.44 0.00 0.00 57.07 54.92 1vd1 s TYR 156 Cb -0.10 -1.88 -0.03 0.00 0.35 0.00 0.00 41.96 40.31 1vd1 s TYR 156 CO 0.34 0.15 0.01 0.42 -1.34 0.00 0.00 175.55 175.13 1vd1 s ILE 157 N -0.13 4.15 -0.19 3.14 -1.09 -1.26 -0.36 121.20 125.47 1vd1 s ILE 157 Ca 0.03 -0.25 -0.07 0.00 -2.23 0.00 0.00 60.65 58.12 1vd1 s ILE 157 Cb -0.13 -2.86 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 1vd1 s ILE 157 CO 0.02 0.45 0.06 -0.70 -1.23 0.00 0.00 174.94 173.55 1vd1 s GLU 158 N 0.69 3.96 0.07 2.79 2.12 0.83 -4.30 118.70 124.86 1vd1 s GLU 158 Ca 0.00 -0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.06 1vd1 s GLU 158 Cb -0.14 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 1vd1 s GLU 158 CO 0.02 0.25 -0.16 0.00 -0.54 0.00 0.00 175.26 174.83 1vd1 n ASN 160 N 1.25 1.17 -4.04 0.00 2.04 -0.91 -4.88 115.26 109.89 1vd1 n ASN 160 Ca -0.16 -0.79 -0.22 0.00 -0.44 0.00 0.00 54.58 52.98 1vd1 n ASN 160 Cb 0.52 0.00 -0.16 0.00 -2.53 0.00 0.00 39.78 37.62 1vd1 n ASN 160 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1vd1 s VAL 161 N -1.08 0.96 0.77 3.53 1.01 -1.26 -1.66 120.40 122.68 1vd1 s VAL 161 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 1vd1 s VAL 161 Cb 0.00 -0.84 0.08 0.00 0.00 0.00 0.00 36.38 35.62 1vd1 s VAL 161 CO 0.00 0.29 1.11 1.51 0.00 0.00 0.00 175.10 178.01 1vd1 s ASP 162 N 0.08 4.54 0.65 3.32 3.84 -0.80 -4.69 116.67 123.62 1vd1 s ASP 162 Ca -0.02 0.56 0.38 0.00 -0.00 0.00 0.00 52.55 53.47 1vd1 s ASP 162 Cb -0.09 -1.09 2.06 0.00 -1.38 0.00 0.00 42.92 42.42 1vd1 s ASP 162 CO 0.01 -1.83 2.16 0.71 -0.00 0.00 0.00 175.17 176.22 1vd1 h THR 163 N -0.87 0.00 0.00 2.11 1.35 -1.50 0.14 112.91 114.13 1vd1 h THR 163 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1vd1 h THR 163 Cb 1.31 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1vd1 h THR 163 CO 0.61 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 177.44 1vd1 h GLN 164 N 0.00 0.00 0.00 4.72 1.08 -1.91 -3.47 115.11 115.53 1vd1 h GLN 164 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1vd1 h GLN 164 Cb 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1vd1 h GLN 164 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 1vd1 n GLY 165 N 1.19 0.55 3.78 3.46 0.00 0.49 -5.06 105.19 109.60 1vd1 n GLY 165 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1vd1 n GLY 165 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vd1 s ASN 166 N -3.00 6.88 -0.07 1.61 0.01 -1.26 -4.80 114.94 114.31 1vd1 s ASN 166 Ca 0.00 2.05 -0.21 0.00 -0.71 0.00 0.00 52.86 53.99 1vd1 s ASN 166 Cb 0.00 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1vd1 s ASN 166 CO 0.00 -0.41 0.58 -1.00 -1.51 0.00 0.00 177.10 174.77 1vd1 s HIS 167 N -1.59 3.59 0.08 2.20 3.76 -1.26 -1.89 115.29 120.17 1vd1 s HIS 167 Ca 0.55 1.10 0.02 0.00 -0.15 0.00 0.00 55.06 56.58 1vd1 s HIS 167 Cb -0.23 -2.65 -0.04 0.00 1.11 0.00 0.00 32.58 30.78 1vd1 s HIS 167 CO 0.29 0.20 -0.07 1.14 -0.85 0.00 0.00 174.74 175.45 1vd1 s GLN 168 N 0.42 0.76 -0.06 1.40 -2.07 -0.66 -0.02 119.66 119.42 1vd1 s GLN 168 Ca 0.31 -1.17 -0.30 0.00 -1.82 0.00 0.00 55.36 52.38 1vd1 s GLN 168 Cb -0.17 -0.25 -0.04 0.00 -1.09 0.00 0.00 33.01 31.46 1vd1 s GLN 168 CO 0.15 0.01 1.43 -1.50 -1.32 0.00 0.00 175.29 174.05 1vd1 s ILE 169 N -2.95 3.85 -0.09 3.63 2.07 -0.24 -2.13 121.20 125.33 1vd1 s ILE 169 Ca 0.06 1.13 -0.08 0.00 -1.41 0.00 0.00 60.65 60.35 1vd1 s ILE 169 Cb 0.01 -3.73 -0.04 0.00 0.13 0.00 0.00 42.46 38.83 1vd1 s ILE 169 CO -0.03 -0.06 -0.17 0.00 -1.91 0.00 0.00 174.94 172.77 1vd1 n TYR 170 N 6.22 0.00 -4.14 3.50 9.36 0.22 -4.71 117.16 127.61 1vd1 n TYR 170 Ca 0.14 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.21 1vd1 n TYR 170 Cb 0.44 -0.36 -0.11 0.00 -0.63 0.00 0.00 39.34 38.67 1vd1 n TYR 170 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1vd1 s GLN 171 N -2.34 0.74 -0.15 2.98 -0.21 -0.46 -0.86 119.66 119.36 1vd1 s GLN 171 Ca -0.16 -0.95 0.01 0.00 0.02 0.00 0.00 55.36 54.28 1vd1 s GLN 171 Cb 0.05 -0.59 0.02 0.00 1.00 0.00 0.00 33.01 33.49 1vd1 s GLN 171 CO 0.22 0.12 -0.18 0.08 -2.12 0.00 0.00 175.29 173.40 1vd1 s VAL 172 N -1.63 1.84 -0.18 1.09 1.01 -0.10 -0.12 120.40 122.31 1vd1 s VAL 172 Ca -0.02 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 1vd1 s VAL 172 Cb -0.08 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1vd1 s VAL 172 CO 0.01 0.51 0.05 -0.31 0.00 0.00 0.00 175.10 175.35 1vd1 s TYR 173 N 1.12 3.21 0.08 5.22 1.51 0.52 -1.49 117.35 127.51 1vd1 s TYR 173 Ca -0.01 0.00 0.05 0.00 -1.01 0.00 0.00 57.07 56.10 1vd1 s TYR 173 Cb -0.14 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1vd1 s TYR 173 CO -0.07 0.11 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.85 1vd1 s LEU 174 N 0.39 2.31 -0.07 -1.29 1.43 -0.63 -0.83 118.68 120.00 1vd1 s LEU 174 Ca 0.02 -0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 52.44 1vd1 s LEU 174 Cb -0.13 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.61 1vd1 s LEU 174 CO 0.01 -0.12 0.04 0.00 0.23 0.00 0.00 176.35 176.50 1vd1 s VAL 176 N -0.99 1.76 0.83 0.00 1.01 -0.34 -0.62 120.40 122.05 1vd1 s VAL 176 Ca 0.16 -1.15 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 1vd1 s VAL 176 Cb -0.12 -1.51 0.10 0.00 0.00 0.00 0.00 36.38 34.85 1vd1 s VAL 176 CO 0.06 0.31 1.15 1.51 0.00 0.00 0.00 175.10 178.13 1vd1 s ASP 177 N -1.00 3.62 0.64 3.32 -4.77 -0.56 -0.60 116.67 117.33 1vd1 s ASP 177 Ca 0.08 2.14 0.33 0.00 -3.30 0.00 0.00 52.55 51.81 1vd1 s ASP 177 Cb -0.09 -2.56 1.81 0.00 -1.09 0.00 0.00 42.92 40.99 1vd1 s ASP 177 CO 0.01 -2.64 2.07 0.07 0.70 0.00 0.00 175.17 175.38 1vd1 h LYS 178 N -1.29 0.00 -0.18 2.11 2.10 -1.90 0.17 116.57 117.58 1vd1 h LYS 178 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1vd1 h LYS 178 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1vd1 h LYS 178 CO 0.46 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.16 1vd1 n THR 179 N -3.22 0.22 -3.55 0.07 -2.24 -1.26 -4.94 114.28 99.35 1vd1 n THR 179 Ca -0.01 -0.43 -0.25 0.00 -2.27 0.00 0.00 64.05 61.09 1vd1 n THR 179 Cb 0.32 0.64 0.06 0.00 -2.10 0.00 0.00 70.33 69.25 1vd1 n THR 179 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vd1 n ALA 180 N 0.66 -1.24 -0.13 6.98 0.00 0.60 -4.93 120.51 122.46 1vd1 n ALA 180 Ca 0.17 0.34 -0.25 0.00 0.00 0.00 0.00 53.44 53.69 1vd1 n ALA 180 Cb 0.42 -4.97 -0.08 0.00 0.00 0.00 0.00 19.45 14.82 1vd1 n ALA 180 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1vd1 n THR 181 N -4.83 1.50 -4.24 0.00 -1.04 -1.26 -4.99 114.28 99.42 1vd1 n THR 181 Ca -0.01 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.05 61.59 1vd1 n THR 181 Cb 0.56 -1.97 -0.10 0.00 -1.82 0.00 0.00 70.33 67.01 1vd1 n THR 181 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1vd1 s ASP 182 N -7.16 1.21 0.53 8.00 1.11 -1.26 -5.02 116.67 114.08 1vd1 s ASP 182 Ca -0.36 -1.16 -0.18 0.00 0.18 0.00 0.00 52.55 51.03 1vd1 s ASP 182 Cb 0.13 0.12 -0.06 0.00 1.07 0.00 0.00 42.92 44.17 1vd1 s ASP 182 CO 0.47 -0.56 1.03 -0.36 1.18 0.00 0.00 175.17 176.93 1vd1 s PHE 183 N -3.65 3.10 0.22 4.23 0.40 -1.26 -1.49 117.98 119.53 1vd1 s PHE 183 Ca 0.23 1.53 -0.04 0.00 -0.60 0.00 0.00 56.93 58.05 1vd1 s PHE 183 Cb 0.06 -2.97 -0.03 0.00 0.51 0.00 0.00 43.02 40.59 1vd1 s PHE 183 CO 0.03 -0.81 0.24 0.96 0.70 0.00 0.00 175.22 176.34 1vd1 s ILE 184 N -2.32 0.00 0.20 0.64 -4.36 0.20 -4.80 121.20 110.77 1vd1 s ILE 184 Ca 0.64 -1.83 -0.30 0.00 -0.26 0.00 0.00 60.65 58.90 1vd1 s ILE 184 Cb -0.14 -2.42 -0.08 0.00 1.25 0.00 0.00 42.46 41.06 1vd1 s ILE 184 CO 0.29 0.00 1.12 -1.81 0.24 0.00 0.00 174.94 174.78 1vd1 s ASP 185 N -3.13 7.23 0.04 4.36 1.01 -1.26 -4.18 116.67 120.74 1vd1 s ASP 185 Ca 0.34 2.16 -0.31 0.00 0.71 0.00 0.00 52.55 55.46 1vd1 s ASP 185 Cb 0.05 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.30 1vd1 s ASP 185 CO 0.12 -0.23 1.50 0.00 0.21 0.00 0.00 175.17 176.77 1vd1 h PRO 187 N 7.91 0.88 -4.04 0.00 0.11 -1.98 -3.44 132.00 131.43 1vd1 h PRO 187 Ca -0.40 -0.16 -0.11 0.00 0.11 0.00 0.00 66.00 65.44 1vd1 h PRO 187 Cb 1.19 -0.14 -0.14 0.00 0.11 0.00 0.00 31.00 32.02 1vd1 h PRO 187 CO 0.91 0.76 -0.51 0.96 -0.21 0.00 0.00 178.00 179.91 1vd1 s ILE 188 N -5.31 0.16 0.12 4.15 -4.36 -1.26 -5.13 121.20 109.56 1vd1 s ILE 188 Ca -0.10 -1.51 0.10 0.00 -0.26 0.00 0.00 60.65 58.88 1vd1 s ILE 188 Cb 0.16 -1.53 -0.04 0.00 1.25 0.00 0.00 42.46 42.30 1vd1 s ILE 188 CO 0.80 -0.72 -0.22 -0.36 0.24 0.00 0.00 174.94 174.68 1vd1 s PHE 189 N -3.91 2.44 0.39 1.37 0.08 -1.26 -5.09 117.98 111.99 1vd1 s PHE 189 Ca 0.09 -0.31 -0.19 0.00 0.12 0.00 0.00 56.93 56.64 1vd1 s PHE 189 Cb 0.06 -1.31 -0.14 0.00 -0.57 0.00 0.00 43.02 41.06 1vd1 s PHE 189 CO -0.08 0.36 0.05 -2.30 -0.10 0.00 0.00 175.22 173.14 1vd1 n PRO 190 N 0.89 0.00 0.00 0.24 -0.02 -1.26 -4.96 135.00 129.90 1vd1 n PRO 190 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1vd1 n PRO 190 Cb 0.53 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 1vd1 n PRO 190 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1vd1 n HIS 191 N -1.01 0.00 -0.29 6.00 8.25 -1.26 -4.89 115.22 122.02 1vd1 n HIS 191 Ca 0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.46 1vd1 n HIS 191 Cb 0.38 -0.14 0.01 0.00 1.12 0.00 0.00 29.99 31.36 1vd1 n HIS 191 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vd1 n GLY 192 N -0.70 -1.21 3.70 -1.41 0.00 -1.26 -4.84 105.19 99.46 1vd1 n GLY 192 Ca 0.00 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 1vd1 n GLY 192 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vd1 n ARG 193 N 0.64 1.63 -1.61 1.61 5.12 -1.26 -5.01 116.66 117.77 1vd1 n ARG 193 Ca 0.00 0.59 -0.29 0.00 -1.93 0.00 0.00 57.85 56.22 1vd1 n ARG 193 Cb 0.15 -2.41 0.22 0.00 -1.16 0.00 0.00 32.46 29.26 1vd1 n ARG 193 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vd1 n GLY 194 N 0.89 -1.89 3.91 -0.13 0.00 -1.26 -4.77 105.19 101.93 1vd1 n GLY 194 Ca 0.09 -1.64 -0.28 0.00 0.00 0.00 0.00 46.02 44.19 1vd1 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vd1 s GLY 196 N -4.57 1.66 0.27 0.00 0.00 -1.26 -4.98 107.32 98.43 1vd1 s GLY 196 Ca 0.62 -0.86 0.08 0.00 0.00 0.00 0.00 44.72 44.56 1vd1 s GLY 196 CO 0.48 -0.20 1.61 1.48 0.00 0.00 0.00 173.10 176.47 1vd1 h SER 197 N -1.56 0.11 -3.24 1.64 4.64 -1.98 -3.42 113.55 109.75 1vd1 h SER 197 Ca -0.46 -0.06 -0.58 0.00 -0.47 0.00 0.00 61.79 60.21 1vd1 h SER 197 Cb 1.29 -0.03 -0.35 0.00 -0.31 0.00 0.00 62.40 63.00 1vd1 h SER 197 CO 0.51 0.68 -0.83 -0.54 -0.87 0.00 0.00 176.83 175.77 1vd1 s LYS 198 N -3.72 2.19 0.25 4.77 1.02 -1.26 -0.76 119.74 122.23 1vd1 s LYS 198 Ca -0.03 -0.54 0.05 0.00 0.02 0.00 0.00 55.97 55.47 1vd1 s LYS 198 Cb 0.13 -1.90 -0.05 0.00 -0.52 0.00 0.00 37.83 35.48 1vd1 s LYS 198 CO 0.77 -0.10 -0.04 0.96 -0.92 0.00 0.00 175.35 176.02 1vd1 s ILE 199 N 1.10 1.35 0.05 2.17 -4.36 0.20 -4.84 121.20 116.88 1vd1 s ILE 199 Ca -0.04 -2.08 -0.14 0.00 -0.26 0.00 0.00 60.65 58.13 1vd1 s ILE 199 Cb -0.14 -2.34 -0.06 0.00 1.25 0.00 0.00 42.46 41.16 1vd1 s ILE 199 CO -0.03 -0.36 0.44 -0.70 0.24 0.00 0.00 174.94 174.53 1vd1 s GLU 200 N -3.78 3.90 -0.60 0.37 2.12 0.96 -1.84 118.70 119.84 1vd1 s GLU 200 Ca 0.28 0.38 0.05 0.00 0.36 0.00 0.00 54.97 56.04 1vd1 s GLU 200 Cb 0.04 -3.11 0.19 0.00 0.26 0.00 0.00 34.13 31.52 1vd1 s GLU 200 CO 0.09 0.62 0.52 0.34 -0.54 0.00 0.00 175.26 176.29 1vd1 n PHE 201 N 1.39 2.05 -2.07 5.30 7.35 -1.26 -1.08 117.46 129.13 1vd1 n PHE 201 Ca -0.11 -3.98 -0.38 0.00 -0.76 0.00 0.00 57.45 52.22 1vd1 n PHE 201 Cb 0.52 -0.39 0.01 0.00 0.35 0.00 0.00 39.48 39.97 1vd1 n PHE 201 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1vd1 s PRO 202 N -1.32 3.60 0.68 -7.13 0.04 -1.24 0.15 135.00 129.78 1vd1 s PRO 202 Ca 0.31 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1vd1 s PRO 202 Cb 0.04 -2.43 0.11 0.00 0.04 0.00 0.00 34.50 32.26 1vd1 s PRO 202 CO -0.14 -0.74 0.94 -1.25 0.04 0.00 0.00 177.00 175.85 1vd1 s PRO 203 N -2.68 1.87 0.00 0.56 0.04 -1.26 -4.70 135.00 128.83 1vd1 s PRO 203 Ca 0.65 -1.09 0.24 0.00 0.04 0.00 0.00 61.00 60.84 1vd1 s PRO 203 Cb -0.34 -2.38 1.45 0.00 0.04 0.00 0.00 34.50 33.27 1vd1 s PRO 203 CO 0.41 -1.28 1.81 1.19 0.04 0.00 0.00 177.00 179.17