#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh2 s SER 2 N 0.00 5.31 -0.10 1.61 1.04 -1.26 -4.94 113.70 115.37 1wh2 s SER 2 Ca 0.00 1.66 -0.04 0.00 0.48 0.00 0.00 55.95 58.06 1wh2 s SER 2 Cb 0.00 -2.51 0.05 0.00 0.10 0.00 0.00 66.02 63.66 1wh2 s SER 2 CO 0.00 -2.11 0.19 -0.44 0.98 0.00 0.00 173.24 171.86 1wh2 s SER 3 N 8.77 0.49 0.00 7.02 0.01 -1.26 -5.10 113.70 123.63 1wh2 s SER 3 Ca 0.97 0.41 0.00 0.00 1.31 0.00 0.00 55.95 58.65 1wh2 s SER 3 Cb -0.29 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1wh2 s SER 3 CO 0.33 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1wh2 n GLY 4 N 5.15 3.85 3.32 3.44 0.00 -1.26 -5.19 105.19 114.50 1wh2 n GLY 4 Ca -0.09 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 1wh2 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh2 s SER 5 N 0.00 0.05 0.00 1.61 0.15 -1.26 -5.04 113.70 109.21 1wh2 s SER 5 Ca 0.00 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1wh2 s SER 5 Cb 0.00 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1wh2 s SER 5 CO 0.00 -0.87 0.03 -1.54 1.20 0.00 0.00 173.24 172.06 1wh2 n SER 6 N -0.20 0.00 0.00 5.45 3.41 -1.26 -5.14 113.62 115.88 1wh2 n SER 6 Ca -0.08 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 1wh2 n SER 6 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1wh2 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wh2 n GLY 7 N 0.00 -1.74 3.17 5.00 0.00 -1.26 -5.11 105.19 105.25 1wh2 n GLY 7 Ca 0.00 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 1wh2 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wh2 s VAL 8 N -2.08 3.23 0.60 1.61 1.01 -1.26 -5.10 120.40 118.41 1wh2 s VAL 8 Ca 0.00 -1.58 -0.07 0.00 0.00 0.00 0.00 61.98 60.33 1wh2 s VAL 8 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1wh2 s VAL 8 CO 0.00 -0.32 0.93 -0.13 0.00 0.00 0.00 175.10 175.58 1wh2 s ARG 9 N 1.24 3.04 0.60 2.72 3.00 -1.26 -4.97 118.95 123.32 1wh2 s ARG 9 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 55.73 55.90 1wh2 s ARG 9 Cb -0.21 -2.22 0.00 0.00 0.00 0.00 0.00 34.95 32.52 1wh2 s ARG 9 CO -0.01 -0.69 0.00 0.28 0.00 0.00 0.00 175.30 174.88 1wh2 n VAL 10 N -2.63 -1.52 -3.66 3.52 0.31 -1.26 -5.02 118.33 108.06 1wh2 n VAL 10 Ca 0.05 1.09 -0.18 0.00 -0.01 0.00 0.00 64.34 65.29 1wh2 n VAL 10 Cb 0.57 -1.71 -0.16 0.00 -0.91 0.00 0.00 33.84 31.63 1wh2 n VAL 10 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1wh2 s LEU 11 N -6.68 -0.03 0.16 7.52 1.43 -1.26 -5.16 118.68 114.66 1wh2 s LEU 11 Ca 0.00 0.25 0.09 0.00 -1.03 0.00 0.00 54.13 53.44 1wh2 s LEU 11 Cb 0.00 0.18 -0.04 0.00 0.03 0.00 0.00 46.19 46.36 1wh2 s LEU 11 CO 0.00 -0.25 -0.19 -0.44 0.23 0.00 0.00 176.35 175.70 1wh2 s SER 12 N 2.27 2.73 -0.57 2.29 0.01 -1.26 -5.10 113.70 114.06 1wh2 s SER 12 Ca 0.04 -0.84 -0.21 0.00 1.31 0.00 0.00 55.95 56.25 1wh2 s SER 12 Cb -0.12 -0.16 0.07 0.00 0.21 0.00 0.00 66.02 66.02 1wh2 s SER 12 CO -0.05 -0.01 0.76 -0.31 0.41 0.00 0.00 173.24 174.04 1wh2 s TYR 13 N -1.88 2.92 -0.04 2.43 1.51 -1.26 -5.02 117.35 116.01 1wh2 s TYR 13 Ca 0.15 -0.57 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 1wh2 s TYR 13 Cb -0.07 -3.90 -0.06 0.00 -0.11 0.00 0.00 41.96 37.82 1wh2 s TYR 13 CO 0.06 -1.28 1.71 0.34 -1.11 0.00 0.00 175.55 175.28 1wh2 s ASP 14 N 3.16 6.62 -0.02 2.29 -1.08 -1.26 -4.86 116.67 121.52 1wh2 s ASP 14 Ca 0.18 2.30 0.20 0.00 -0.52 0.00 0.00 52.55 54.71 1wh2 s ASP 14 Cb -0.19 -2.53 -0.27 0.00 -1.46 0.00 0.00 42.92 38.46 1wh2 s ASP 14 CO 0.11 -0.96 0.63 2.29 0.52 0.00 0.00 175.17 177.76 1wh2 n LYS 15 N 7.22 0.52 0.01 4.34 2.85 -1.26 -4.40 118.16 127.44 1wh2 n LYS 15 Ca 0.18 -0.10 -0.22 0.00 -1.05 0.00 0.00 58.31 57.12 1wh2 n LYS 15 Cb 0.43 -1.47 -0.14 0.00 -0.65 0.00 0.00 35.03 33.20 1wh2 n LYS 15 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1wh2 h GLU 16 N 0.00 0.27 -6.97 -1.58 4.11 -1.94 -1.73 114.58 106.74 1wh2 h GLU 16 Ca 0.00 -0.46 -0.49 0.00 0.07 0.00 0.00 59.36 58.48 1wh2 h GLU 16 Cb 0.73 0.17 0.02 0.00 0.50 0.00 0.00 28.75 30.17 1wh2 h GLU 16 CO 0.00 1.22 0.17 -1.59 0.07 0.00 0.00 179.01 178.88 1wh2 s LYS 17 N -2.55 3.69 -1.20 1.06 -2.85 -1.26 -4.71 119.74 111.92 1wh2 s LYS 17 Ca -0.22 0.45 -0.20 0.00 -1.00 0.00 0.00 55.97 55.01 1wh2 s LYS 17 Cb 0.06 -2.33 0.07 0.00 -2.06 0.00 0.00 37.83 33.57 1wh2 s LYS 17 CO 0.77 -0.18 1.63 -0.51 0.10 0.00 0.00 175.35 177.16 1wh2 s LEU 18 N -4.33 3.77 0.00 2.77 1.43 -1.26 -3.90 118.68 117.15 1wh2 s LEU 18 Ca 0.51 -2.14 0.01 0.00 -1.03 0.00 0.00 54.13 51.49 1wh2 s LEU 18 Cb -0.10 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.56 1wh2 s LEU 18 CO 0.39 -1.27 0.76 -3.20 0.23 0.00 0.00 176.35 173.26 1wh2 n ASN 19 N 8.47 1.55 -4.16 2.29 5.15 -1.11 -4.65 115.26 122.80 1wh2 n ASN 19 Ca 0.43 -1.48 -0.21 0.00 -0.60 0.00 0.00 54.58 52.72 1wh2 n ASN 19 Cb 0.48 -0.01 -0.13 0.00 -0.53 0.00 0.00 39.78 39.58 1wh2 n ASN 19 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1wh2 s TRP 20 N -0.51 1.33 0.18 1.20 0.52 -0.95 -0.95 118.94 119.77 1wh2 s TRP 20 Ca 0.02 -0.36 0.09 0.00 0.02 0.00 0.00 56.10 55.87 1wh2 s TRP 20 Cb 0.01 -0.79 -0.04 0.00 -1.15 0.00 0.00 33.47 31.50 1wh2 s TRP 20 CO 0.01 0.05 -0.18 -0.51 0.02 0.00 0.00 176.95 176.34 1wh2 s LEU 21 N -1.16 2.47 0.01 2.99 1.43 0.41 -0.46 118.68 124.38 1wh2 s LEU 21 Ca 0.03 -0.91 -0.07 0.00 -1.03 0.00 0.00 54.13 52.15 1wh2 s LEU 21 Cb -0.08 -0.84 -0.00 0.00 0.03 0.00 0.00 46.19 45.30 1wh2 s LEU 21 CO 0.01 -0.04 0.13 -0.72 0.23 0.00 0.00 176.35 175.96 1wh2 s TYR 22 N -2.24 0.08 -0.23 0.29 -0.85 -1.20 -1.94 117.35 111.26 1wh2 s TYR 22 Ca 0.19 -0.21 -0.15 0.00 -0.52 0.00 0.00 57.07 56.37 1wh2 s TYR 22 Cb -0.05 -0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.19 1wh2 s TYR 22 CO 0.08 -0.30 0.38 0.21 -1.52 0.00 0.00 175.55 174.39 1wh2 s LYS 23 N -1.63 4.11 1.00 -3.49 2.20 -1.26 -1.21 119.74 119.45 1wh2 s LYS 23 Ca -0.13 0.12 -0.16 0.00 -0.36 0.00 0.00 55.97 55.44 1wh2 s LYS 23 Cb -0.07 -3.58 0.21 0.00 -1.51 0.00 0.00 37.83 32.88 1wh2 s LYS 23 CO 0.00 -0.13 1.27 0.16 -0.36 0.00 0.00 175.35 176.29 1wh2 s ASP 24 N 1.27 2.79 0.00 1.43 1.47 -0.01 -4.96 116.67 118.66 1wh2 s ASP 24 Ca 0.17 0.39 0.31 0.00 1.18 0.00 0.00 52.55 54.60 1wh2 s ASP 24 Cb -0.15 -0.52 1.60 0.00 -0.34 0.00 0.00 42.92 43.51 1wh2 s ASP 24 CO 0.08 -2.94 2.06 -0.81 0.68 0.00 0.00 175.17 174.24 1wh2 n PRO 25 N -3.93 1.12 0.09 2.11 -0.04 -1.26 -3.25 135.00 129.84 1wh2 n PRO 25 Ca 0.14 -0.28 -0.18 0.00 -0.04 0.00 0.00 63.50 63.15 1wh2 n PRO 25 Cb 0.60 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.42 1wh2 n PRO 25 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1wh2 h GLN 26 N 0.67 0.30 0.00 0.54 4.20 -2.04 -3.48 115.11 115.30 1wh2 h GLN 26 Ca 0.00 -0.51 0.00 0.00 0.06 0.00 0.00 58.65 58.20 1wh2 h GLN 26 Cb 0.18 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1wh2 h GLN 26 CO 0.00 1.20 0.00 0.41 -0.67 0.00 0.00 178.83 179.77 1wh2 n GLY 27 N 1.63 1.90 3.63 3.46 0.00 -1.20 -5.15 105.19 109.47 1wh2 n GLY 27 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1wh2 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wh2 s LEU 28 N 0.00 3.33 -0.42 0.99 2.01 -1.26 -4.92 118.68 118.40 1wh2 s LEU 28 Ca 0.00 -0.07 -0.26 0.00 0.01 0.00 0.00 54.13 53.81 1wh2 s LEU 28 Cb 0.00 -1.89 0.02 0.00 0.01 0.00 0.00 46.19 44.33 1wh2 s LEU 28 CO 0.00 0.29 0.96 -0.69 1.01 0.00 0.00 176.35 177.92 1wh2 s VAL 29 N -1.02 4.47 0.59 -1.59 1.01 -1.26 -0.83 120.40 121.78 1wh2 s VAL 29 Ca 0.18 1.02 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 1wh2 s VAL 29 Cb -0.11 -4.42 0.02 0.00 0.00 0.00 0.00 36.38 31.87 1wh2 s VAL 29 CO 0.08 -0.74 0.88 -1.10 0.00 0.00 0.00 175.10 174.22 1wh2 s GLN 30 N 3.76 2.72 0.28 2.72 -1.52 -0.35 -4.97 119.66 122.30 1wh2 s GLN 30 Ca 0.39 -0.22 0.00 0.00 -1.95 0.00 0.00 55.36 53.59 1wh2 s GLN 30 Cb -0.10 -2.31 0.00 0.00 -0.22 0.00 0.00 33.01 30.38 1wh2 s GLN 30 CO 0.24 -0.77 0.00 0.41 -0.25 0.00 0.00 175.29 174.92 1wh2 n GLY 31 N -2.57 -1.83 3.79 3.09 0.00 -1.26 -3.26 105.19 103.14 1wh2 n GLY 31 Ca 0.05 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 1wh2 n GLY 31 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh2 s PRO 32 N 0.00 1.92 0.13 1.61 0.04 -1.26 -5.06 135.00 132.39 1wh2 s PRO 32 Ca 0.00 0.68 0.04 0.00 0.04 0.00 0.00 61.00 61.76 1wh2 s PRO 32 Cb 0.00 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1wh2 s PRO 32 CO 0.00 -1.75 -0.09 -0.06 0.04 0.00 0.00 177.00 175.14 1wh2 s PHE 33 N -3.11 1.17 0.38 0.56 0.08 0.39 -4.89 117.98 112.57 1wh2 s PHE 33 Ca 0.61 -0.79 -0.19 0.00 0.12 0.00 0.00 56.93 56.68 1wh2 s PHE 33 Cb -0.15 -0.61 -0.10 0.00 -0.57 0.00 0.00 43.02 41.58 1wh2 s PHE 33 CO 0.55 0.03 0.87 -1.54 -0.10 0.00 0.00 175.22 175.03 1wh2 s SER 34 N -3.12 6.91 0.43 1.36 1.04 -1.25 -2.25 113.70 116.82 1wh2 s SER 34 Ca 0.15 1.56 0.10 0.00 0.48 0.00 0.00 55.95 58.24 1wh2 s SER 34 Cb 0.03 -2.48 0.95 0.00 0.10 0.00 0.00 66.02 64.62 1wh2 s SER 34 CO -0.01 -0.29 2.06 -0.07 0.98 0.00 0.00 173.24 175.92 1wh2 h LEU 35 N 2.12 0.38 -1.83 2.42 3.38 -1.72 0.72 115.31 120.79 1wh2 h LEU 35 Ca -0.48 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 1wh2 h LEU 35 Cb 1.18 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1wh2 h LEU 35 CO 0.63 0.27 -0.10 0.74 0.09 0.00 0.00 178.44 180.06 1wh2 h THR 36 N 0.44 1.02 0.00 0.22 2.02 -1.68 0.11 112.91 115.04 1wh2 h THR 36 Ca 0.15 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1wh2 h THR 36 Cb 0.06 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1wh2 h THR 36 CO -0.03 0.10 -0.03 1.56 0.37 0.00 0.00 175.52 177.49 1wh2 h GLN 37 N 0.00 0.00 -0.76 6.66 4.20 -1.17 -3.15 115.11 120.89 1wh2 h GLN 37 Ca -0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1wh2 h GLN 37 Cb 0.19 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.91 1wh2 h GLN 37 CO 0.01 0.90 0.44 -0.07 -0.67 0.00 0.00 178.83 179.45 1wh2 h LEU 38 N -1.00 0.68 0.28 1.46 3.38 -1.09 -1.48 115.31 117.54 1wh2 h LEU 38 Ca -0.01 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wh2 h LEU 38 Cb 0.91 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1wh2 h LEU 38 CO -0.00 0.43 -0.25 0.50 0.09 0.00 0.00 178.44 179.20 1wh2 h LYS 39 N 0.81 -0.53 -0.33 1.13 3.64 -0.94 -0.58 116.57 119.77 1wh2 h LYS 39 Ca 0.34 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.69 1wh2 h LYS 39 Cb 0.20 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1wh2 h LYS 39 CO -0.18 -0.35 -0.07 0.00 -2.27 0.00 0.00 179.45 176.57 1wh2 h ALA 40 N 0.09 1.27 -0.39 5.00 0.00 -1.32 0.17 119.26 124.07 1wh2 h ALA 40 Ca -0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1wh2 h ALA 40 Cb 0.50 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1wh2 h ALA 40 CO -0.04 0.49 0.08 -1.49 0.00 0.00 0.00 179.25 178.28 1wh2 h TRP 41 N 0.51 0.68 -0.55 0.00 6.55 -1.25 -2.88 115.95 119.02 1wh2 h TRP 41 Ca 0.10 -0.09 -0.05 0.00 0.95 0.00 0.00 58.89 59.80 1wh2 h TRP 41 Cb 0.43 -0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.52 1wh2 h TRP 41 CO 0.02 0.67 0.15 1.03 -1.05 0.00 0.00 178.44 179.26 1wh2 h SER 42 N 0.50 0.77 0.01 -3.49 0.87 0.16 -1.71 113.55 110.66 1wh2 h SER 42 Ca 0.12 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wh2 h SER 42 Cb 0.35 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1wh2 h SER 42 CO 0.01 0.74 -0.03 -0.78 -0.53 0.00 0.00 176.83 176.23 1wh2 h ASP 43 N 0.80 -0.09 0.00 6.23 3.58 -1.00 -1.86 116.42 124.08 1wh2 h ASP 43 Ca 0.18 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1wh2 h ASP 43 Cb 0.27 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1wh2 h ASP 43 CO -0.01 -0.05 0.00 0.00 -2.88 0.00 0.00 179.24 176.30 1wh2 n ALA 44 N -2.17 1.91 -0.88 -0.78 0.00 -0.79 -4.84 120.51 112.95 1wh2 n ALA 44 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1wh2 n ALA 44 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1wh2 n ALA 44 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wh2 n GLU 45 N -0.24 -0.48 0.00 0.00 1.02 -0.70 -4.89 120.64 115.35 1wh2 n GLU 45 Ca 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1wh2 n GLU 45 Cb 0.04 -3.72 0.02 0.00 -0.02 0.00 0.00 31.44 27.76 1wh2 n GLU 45 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1wh2 n TYR 46 N -2.25 0.00 -4.61 -0.32 4.01 -0.84 -4.70 117.16 108.45 1wh2 n TYR 46 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 1wh2 n TYR 46 Cb 0.12 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.07 1wh2 n TYR 46 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1wh2 s PHE 47 N -2.00 1.80 0.38 -0.72 0.08 -1.26 -4.96 117.98 111.29 1wh2 s PHE 47 Ca 0.01 -1.19 0.07 0.00 0.12 0.00 0.00 56.93 55.94 1wh2 s PHE 47 Cb 0.00 -1.31 -0.01 0.00 -0.57 0.00 0.00 43.02 41.14 1wh2 s PHE 47 CO 0.01 -0.13 0.47 0.95 -0.10 0.00 0.00 175.22 176.42 1wh2 s THR 48 N -3.08 3.44 0.45 0.64 -4.23 -1.26 -5.01 115.64 106.58 1wh2 s THR 48 Ca 0.16 -1.09 0.28 0.00 -1.18 0.00 0.00 61.69 59.87 1wh2 s THR 48 Cb 0.02 -3.18 0.31 0.00 1.34 0.00 0.00 72.50 70.99 1wh2 s THR 48 CO 0.10 -0.08 2.12 0.11 -0.54 0.00 0.00 174.62 176.33 1wh2 h LYS 49 N 0.86 0.00 -1.97 3.99 1.79 -2.02 -3.00 116.57 116.22 1wh2 h LYS 49 Ca -0.43 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.52 1wh2 h LYS 49 Cb 1.27 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.51 1wh2 h LYS 49 CO 0.51 0.09 -0.92 1.04 -1.08 0.00 0.00 179.45 179.09 1wh2 n GLN 50 N -3.65 2.17 -2.73 3.15 6.02 -1.26 -5.06 117.38 116.02 1wh2 n GLN 50 Ca -0.02 -4.09 -0.43 0.00 -0.01 0.00 0.00 57.00 52.45 1wh2 n GLN 50 Cb 0.20 -1.94 -0.03 0.00 1.02 0.00 0.00 30.24 29.50 1wh2 n GLN 50 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1wh2 s PHE 51 N -3.04 3.10 0.42 1.08 5.36 -1.14 -5.03 117.98 118.73 1wh2 s PHE 51 Ca 0.43 0.95 0.05 0.00 -0.96 0.00 0.00 56.93 57.41 1wh2 s PHE 51 Cb 0.34 -3.68 0.01 0.00 -0.34 0.00 0.00 43.02 39.34 1wh2 s PHE 51 CO -0.10 -0.81 0.59 1.03 -1.46 0.00 0.00 175.22 174.47 1wh2 s ARG 52 N 3.57 2.89 0.04 10.12 3.00 -1.26 -1.20 118.95 136.12 1wh2 s ARG 52 Ca 0.41 -0.97 -0.02 0.00 0.00 0.00 0.00 55.73 55.15 1wh2 s ARG 52 Cb -0.12 -2.70 -0.03 0.00 0.00 0.00 0.00 34.95 32.11 1wh2 s ARG 52 CO 0.18 -0.26 0.01 0.14 0.00 0.00 0.00 175.30 175.37 1wh2 s VAL 53 N -2.41 0.18 0.15 3.52 -7.23 -0.04 -4.66 120.40 109.91 1wh2 s VAL 53 Ca 0.51 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 59.23 1wh2 s VAL 53 Cb -0.10 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.66 1wh2 s VAL 53 CO 0.34 -0.80 0.02 -1.66 -0.31 0.00 0.00 175.10 172.68 1wh2 s TRP 54 N -3.18 1.06 0.65 2.82 -2.14 -0.82 -0.71 118.94 116.62 1wh2 s TRP 54 Ca 0.00 -1.09 -0.11 0.00 2.66 0.00 0.00 56.10 57.56 1wh2 s TRP 54 Cb 0.03 -0.61 -0.02 0.00 -3.10 0.00 0.00 33.47 29.77 1wh2 s TRP 54 CO -0.07 -0.32 1.05 -1.64 -2.66 0.00 0.00 176.95 173.30 1wh2 s MET 55 N -3.96 3.30 0.49 3.25 -1.94 -1.26 -0.44 119.30 118.74 1wh2 s MET 55 Ca 0.23 0.81 -0.24 0.00 -1.71 0.00 0.00 55.69 54.78 1wh2 s MET 55 Cb 0.07 -2.04 -0.07 0.00 2.01 0.00 0.00 34.83 34.80 1wh2 s MET 55 CO 0.02 -0.80 1.38 0.95 -0.01 0.00 0.00 175.02 176.56 1wh2 s THR 56 N -3.14 2.15 0.00 2.05 -4.23 -0.12 -2.53 115.64 109.82 1wh2 s THR 56 Ca 0.56 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 1wh2 s THR 56 Cb -0.12 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1wh2 s THR 56 CO 0.54 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 1wh2 n GLY 57 N 0.64 2.38 3.98 3.99 0.00 -1.26 -4.99 105.19 109.93 1wh2 n GLY 57 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1wh2 n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wh2 s GLU 58 N -0.00 1.66 -0.03 1.61 0.41 -1.05 -5.06 118.70 116.23 1wh2 s GLU 58 Ca 0.00 -0.91 -0.30 0.00 -0.41 0.00 0.00 54.97 53.35 1wh2 s GLU 58 Cb 0.00 -2.27 -0.03 0.00 -1.78 0.00 0.00 34.13 30.06 1wh2 s GLU 58 CO 0.00 -1.49 1.01 -1.54 -0.49 0.00 0.00 175.26 172.75 1wh2 s SER 59 N -4.71 7.31 0.25 -0.19 1.04 -1.26 -4.96 113.70 111.18 1wh2 s SER 59 Ca 0.66 1.64 -0.04 0.00 0.48 0.00 0.00 55.95 58.70 1wh2 s SER 59 Cb -0.06 -2.57 0.39 0.00 0.10 0.00 0.00 66.02 63.88 1wh2 s SER 59 CO 0.45 -0.34 1.85 -0.03 0.98 0.00 0.00 173.24 176.15 1wh2 h MET 60 N 6.91 0.99 0.00 4.02 4.05 -1.97 -1.82 114.93 127.11 1wh2 h MET 60 Ca -0.38 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 58.98 1wh2 h MET 60 Cb 1.19 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 31.77 1wh2 h MET 60 CO 0.79 0.65 -0.03 0.93 0.23 0.00 0.00 176.91 179.48 1wh2 h GLU 61 N 1.02 0.00 -0.08 0.39 5.08 -2.01 -0.53 114.58 118.45 1wh2 h GLU 61 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1wh2 h GLU 61 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1wh2 h GLU 61 CO -0.19 0.03 0.00 0.45 -1.00 0.00 0.00 179.01 178.30 1wh2 n SER 62 N -3.45 0.68 -4.60 1.42 2.88 -0.69 -4.93 113.62 104.93 1wh2 n SER 62 Ca -0.02 -1.60 -0.38 0.00 -1.33 0.00 0.00 58.87 55.53 1wh2 n SER 62 Cb 0.14 -0.05 0.04 0.00 -0.75 0.00 0.00 64.21 63.59 1wh2 n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wh2 n ALA 63 N -0.31 0.09 -2.47 -1.46 0.00 -0.21 -4.94 120.51 111.22 1wh2 n ALA 63 Ca 0.13 0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.37 1wh2 n ALA 63 Cb 0.16 -2.08 -0.10 0.00 0.00 0.00 0.00 19.45 17.43 1wh2 n ALA 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1wh2 s VAL 64 N -1.49 2.49 0.03 0.00 -7.23 0.11 -4.87 120.40 109.44 1wh2 s VAL 64 Ca 0.73 -2.40 -0.30 0.00 -1.81 0.00 0.00 61.98 58.20 1wh2 s VAL 64 Cb -0.44 -2.31 -0.07 0.00 0.56 0.00 0.00 36.38 34.11 1wh2 s VAL 64 CO 0.49 -0.40 1.64 -0.76 -0.31 0.00 0.00 175.10 175.77 1wh2 s LEU 65 N -3.51 4.35 0.51 1.32 1.43 -1.26 -0.86 118.68 120.65 1wh2 s LEU 65 Ca 0.30 2.39 0.25 0.00 -1.03 0.00 0.00 54.13 56.04 1wh2 s LEU 65 Cb -0.05 -3.55 1.35 0.00 0.03 0.00 0.00 46.19 43.96 1wh2 s LEU 65 CO 0.15 -0.88 1.94 0.25 0.23 0.00 0.00 176.35 178.04 1wh2 h LEU 66 N 9.03 0.09 -1.12 1.79 5.85 -1.45 -1.25 115.31 128.25 1wh2 h LEU 66 Ca -0.42 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1wh2 h LEU 66 Cb 1.19 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1wh2 h LEU 66 CO 0.93 0.04 -0.06 0.71 -0.34 0.00 0.00 178.44 179.73 1wh2 h THR 67 N 0.10 0.14 0.20 1.05 1.35 -1.90 -0.87 112.91 112.97 1wh2 h THR 67 Ca 0.34 -0.76 -0.34 0.00 -0.55 0.00 0.00 66.41 65.10 1wh2 h THR 67 Cb 1.21 1.66 0.02 0.00 -1.73 0.00 0.00 68.15 69.32 1wh2 h THR 67 CO -0.04 0.06 -1.66 0.44 -0.25 0.00 0.00 175.52 174.07 1wh2 h ASP 68 N 0.00 0.67 -0.38 5.36 3.32 -1.62 -3.23 116.42 120.54 1wh2 h ASP 68 Ca -0.00 -0.89 -0.01 0.00 0.02 0.00 0.00 57.03 56.15 1wh2 h ASP 68 Cb 0.66 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1wh2 h ASP 68 CO 0.01 1.74 0.21 0.58 -1.72 0.00 0.00 179.24 180.06 1wh2 h VAL 69 N 0.12 1.13 0.18 -1.35 2.07 -1.18 0.38 116.25 117.59 1wh2 h VAL 69 Ca -0.31 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1wh2 h VAL 69 Cb 2.12 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 1wh2 h VAL 69 CO 0.21 0.14 -0.36 -0.07 0.02 0.00 0.00 177.57 177.51 1wh2 h LEU 70 N 0.56 -1.02 -0.93 2.57 4.07 -1.27 -0.00 115.31 119.29 1wh2 h LEU 70 Ca 0.14 0.11 0.04 0.00 0.08 0.00 0.00 57.88 58.26 1wh2 h LEU 70 Cb 0.03 0.37 -0.06 0.00 1.08 0.00 0.00 40.66 42.08 1wh2 h LEU 70 CO -0.02 -0.45 0.60 -0.09 -1.08 0.00 0.00 178.44 177.39 1wh2 h ARG 71 N -0.63 1.11 -0.49 1.13 2.43 -0.88 -1.80 114.38 115.25 1wh2 h ARG 71 Ca 0.01 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1wh2 h ARG 71 Cb 0.63 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1wh2 h ARG 71 CO -0.17 0.73 0.20 -0.07 -1.51 0.00 0.00 179.97 179.15 1wh2 h LEU 72 N 1.14 0.68 -4.09 3.80 3.38 -0.77 -2.99 115.31 116.45 1wh2 h LEU 72 Ca 0.38 -0.16 -0.51 0.00 0.09 0.00 0.00 57.88 57.68 1wh2 h LEU 72 Cb 0.05 -0.17 -0.20 0.00 0.09 0.00 0.00 40.66 40.43 1wh2 h LEU 72 CO -0.14 0.65 0.59 -0.24 0.09 0.00 0.00 178.44 179.40 1wh2 n SER 73 N -4.57 6.88 0.00 -0.43 2.88 -0.03 -4.96 113.62 113.39 1wh2 n SER 73 Ca 0.02 -3.36 0.00 0.00 -1.33 0.00 0.00 58.87 54.20 1wh2 n SER 73 Cb 0.15 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 1wh2 n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh2 n GLY 74 N 0.12 2.71 3.58 0.46 0.00 -0.98 -4.91 105.19 106.16 1wh2 n GLY 74 Ca 0.46 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 1wh2 n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh2 s PRO 75 N -2.16 3.02 -0.14 1.61 0.04 -1.26 -3.89 135.00 132.22 1wh2 s PRO 75 Ca 0.00 -1.38 -0.10 0.00 0.04 0.00 0.00 61.00 59.56 1wh2 s PRO 75 Cb 0.00 -5.33 0.05 0.00 0.04 0.00 0.00 34.50 29.25 1wh2 s PRO 75 CO 0.00 -3.32 0.36 -1.12 0.04 0.00 0.00 177.00 172.95 1wh2 s SER 76 N 5.79 -0.41 0.00 6.66 0.01 -1.26 -5.05 113.70 119.44 1wh2 s SER 76 Ca 0.63 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.64 1wh2 s SER 76 Cb 0.00 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.92 1wh2 s SER 76 CO 0.10 -0.16 0.10 -1.20 0.41 0.00 0.00 173.24 172.49 1wh2 n SER 77 N 3.65 0.20 0.00 2.44 7.64 -1.26 -2.34 113.62 123.96 1wh2 n SER 77 Ca -0.19 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.15 1wh2 n SER 77 Cb 0.56 0.50 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 1wh2 n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64