#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh2 n SER 2 N 0.00 -2.49 -4.61 1.61 7.64 -1.26 -4.97 113.62 109.55 1wh2 n SER 2 Ca 0.00 -0.68 -0.30 0.00 1.01 0.00 0.00 58.87 58.90 1wh2 n SER 2 Cb 0.00 -4.70 0.20 0.00 -1.01 0.00 0.00 64.21 58.70 1wh2 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh2 s SER 3 N -4.16 2.22 0.00 6.43 0.01 -1.26 -5.00 113.70 111.94 1wh2 s SER 3 Ca 0.12 1.76 0.00 0.00 1.31 0.00 0.00 55.95 59.14 1wh2 s SER 3 Cb -0.06 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1wh2 s SER 3 CO 0.76 -3.47 0.00 0.61 0.41 0.00 0.00 173.24 171.55 1wh2 n GLY 4 N 0.17 -1.06 0.00 3.44 0.00 -1.26 -5.15 105.19 101.33 1wh2 n GLY 4 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1wh2 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wh2 n SER 5 N 0.00 0.00 0.15 1.61 2.88 -1.26 -5.02 113.62 111.98 1wh2 n SER 5 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1wh2 n SER 5 Cb 0.00 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 1wh2 n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wh2 h SER 6 N 0.00 0.00 -0.03 -3.46 0.02 -2.04 -3.49 113.55 104.54 1wh2 h SER 6 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wh2 h SER 6 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1wh2 h SER 6 CO 0.00 0.53 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 1wh2 n GLY 7 N 0.80 1.49 3.56 -3.77 0.00 -1.26 -5.07 105.19 100.94 1wh2 n GLY 7 Ca 0.01 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.36 3.05 0.77 1.61 1.01 -1.26 -4.98 120.40 118.24 1wh2 s VAL 8 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1wh2 s VAL 8 Cb 0.00 -3.12 0.05 0.00 0.00 0.00 0.00 36.38 33.31 1wh2 s VAL 8 CO 0.00 -0.11 1.08 -0.13 0.00 0.00 0.00 175.10 175.94 1wh2 s ARG 9 N 8.47 2.31 0.55 2.72 1.81 -1.26 -5.06 118.95 128.48 1wh2 s ARG 9 Ca 0.92 1.02 -0.20 0.00 -1.72 0.00 0.00 55.73 55.75 1wh2 s ARG 9 Cb -0.14 -1.91 -0.05 0.00 -0.45 0.00 0.00 34.95 32.39 1wh2 s ARG 9 CO 0.15 -1.56 1.19 0.54 -0.68 0.00 0.00 175.30 174.94 1wh2 s VAL 10 N -2.97 2.81 0.04 3.52 0.11 -1.26 -5.06 120.40 117.59 1wh2 s VAL 10 Ca 0.60 0.54 0.03 0.00 -2.93 0.00 0.00 61.98 60.22 1wh2 s VAL 10 Cb -0.16 -3.24 -0.02 0.00 -1.53 0.00 0.00 36.38 31.43 1wh2 s VAL 10 CO 0.56 -0.08 -0.09 -1.48 -3.33 0.00 0.00 175.10 170.68 1wh2 s LEU 11 N -3.71 2.19 0.10 2.54 2.34 -1.26 -5.17 118.68 115.71 1wh2 s LEU 11 Ca 0.73 -0.45 0.02 0.00 0.06 0.00 0.00 54.13 54.48 1wh2 s LEU 11 Cb -0.29 -0.31 -0.04 0.00 -0.56 0.00 0.00 46.19 44.99 1wh2 s LEU 11 CO 0.33 -0.09 -0.06 -0.55 -1.06 0.00 0.00 176.35 174.92 1wh2 s SER 12 N -1.23 1.10 -0.54 1.48 0.15 -1.26 -5.12 113.70 108.28 1wh2 s SER 12 Ca -0.05 -1.02 -0.17 0.00 0.70 0.00 0.00 55.95 55.42 1wh2 s SER 12 Cb -0.08 0.10 0.10 0.00 -1.71 0.00 0.00 66.02 64.44 1wh2 s SER 12 CO 0.01 -0.48 0.55 -0.31 1.20 0.00 0.00 173.24 174.21 1wh2 s TYR 13 N -3.65 3.15 -0.33 3.44 1.51 -1.26 -5.03 117.35 115.19 1wh2 s TYR 13 Ca 0.12 -1.03 -0.19 0.00 -1.01 0.00 0.00 57.07 54.96 1wh2 s TYR 13 Cb 0.05 -3.70 -0.01 0.00 -0.11 0.00 0.00 41.96 38.20 1wh2 s TYR 13 CO -0.05 -1.05 0.56 -0.51 -1.11 0.00 0.00 175.55 173.39 1wh2 s ASP 14 N 3.29 6.39 0.00 2.29 1.01 -1.26 -4.91 116.67 123.49 1wh2 s ASP 14 Ca 0.07 0.20 0.25 0.00 0.71 0.00 0.00 52.55 53.78 1wh2 s ASP 14 Cb -0.26 -2.29 1.35 0.00 1.01 0.00 0.00 42.92 42.73 1wh2 s ASP 14 CO 0.06 -0.46 1.89 0.29 0.21 0.00 0.00 175.17 177.15 1wh2 n LYS 15 N 5.79 1.18 -0.00 8.23 5.02 -1.26 -2.30 118.16 134.82 1wh2 n LYS 15 Ca -0.03 -0.26 -0.03 0.00 -2.02 0.00 0.00 58.31 55.97 1wh2 n LYS 15 Cb 0.49 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 34.09 1wh2 n LYS 15 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wh2 n GLU 16 N -0.60 0.17 -2.25 1.97 1.02 -1.26 -3.02 120.64 116.67 1wh2 n GLU 16 Ca 0.19 0.07 -0.33 0.00 -0.02 0.00 0.00 57.16 57.07 1wh2 n GLU 16 Cb 0.15 -0.75 -0.01 0.00 -0.02 0.00 0.00 31.44 30.81 1wh2 n GLU 16 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1wh2 s LYS 17 N -2.12 3.62 -0.72 3.49 -2.85 -1.26 -4.79 119.74 115.10 1wh2 s LYS 17 Ca -0.09 1.14 -0.25 0.00 -1.00 0.00 0.00 55.97 55.77 1wh2 s LYS 17 Cb 0.01 -2.08 0.05 0.00 -2.06 0.00 0.00 37.83 33.75 1wh2 s LYS 17 CO 0.14 -0.56 1.17 -0.51 0.10 0.00 0.00 175.35 175.69 1wh2 s LEU 18 N -4.18 3.61 0.00 2.77 1.43 -1.26 -3.94 118.68 117.11 1wh2 s LEU 18 Ca 0.63 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1wh2 s LEU 18 Cb -0.14 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1wh2 s LEU 18 CO 0.32 -1.69 0.23 -3.20 0.23 0.00 0.00 176.35 172.25 1wh2 n ASN 19 N 8.76 0.47 -3.99 2.29 5.15 -0.56 -4.66 115.26 122.73 1wh2 n ASN 19 Ca 0.02 -0.95 -0.30 0.00 -0.60 0.00 0.00 54.58 52.75 1wh2 n ASN 19 Cb 0.48 0.04 -0.16 0.00 -0.53 0.00 0.00 39.78 39.60 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 -0.04 2.14 0.37 1.20 0.52 -0.34 -0.95 118.94 121.85 1wh2 s TRP 20 Ca 0.00 -1.26 -0.04 0.00 0.02 0.00 0.00 56.10 54.82 1wh2 s TRP 20 Cb 0.00 -1.55 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 1wh2 s TRP 20 CO 0.00 -0.67 0.64 -0.51 0.02 0.00 0.00 176.95 176.43 1wh2 s LEU 21 N 1.50 3.90 0.04 2.99 1.43 0.47 -0.48 118.68 128.52 1wh2 s LEU 21 Ca 0.03 0.75 -0.07 0.00 -1.03 0.00 0.00 54.13 53.81 1wh2 s LEU 21 Cb -0.14 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.45 1wh2 s LEU 21 CO -0.10 -0.36 0.14 -0.72 0.23 0.00 0.00 176.35 175.55 1wh2 s TYR 22 N -2.37 0.13 -0.25 0.29 -0.85 -1.24 -2.42 117.35 110.64 1wh2 s TYR 22 Ca 0.45 -0.38 -0.14 0.00 -0.52 0.00 0.00 57.07 56.48 1wh2 s TYR 22 Cb -0.10 -0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 1wh2 s TYR 22 CO 0.36 -0.38 0.34 0.21 -1.52 0.00 0.00 175.55 174.56 1wh2 s LYS 23 N -2.48 4.06 0.92 -3.49 2.20 -1.26 -1.12 119.74 118.56 1wh2 s LYS 23 Ca -0.06 0.02 -0.14 0.00 -0.36 0.00 0.00 55.97 55.43 1wh2 s LYS 23 Cb -0.02 -3.61 0.16 0.00 -1.51 0.00 0.00 37.83 32.84 1wh2 s LYS 23 CO -0.04 -0.18 1.23 0.16 -0.36 0.00 0.00 175.35 176.17 1wh2 s ASP 24 N 1.44 3.49 0.00 1.43 1.47 0.38 -4.93 116.67 119.95 1wh2 s ASP 24 Ca 0.15 0.57 0.29 0.00 1.18 0.00 0.00 52.55 54.74 1wh2 s ASP 24 Cb -0.15 -0.85 1.33 0.00 -0.34 0.00 0.00 42.92 42.91 1wh2 s ASP 24 CO 0.09 -2.53 1.92 -0.81 0.68 0.00 0.00 175.17 174.52 1wh2 n PRO 25 N -3.69 0.86 0.19 2.11 -0.04 -1.26 -1.97 135.00 131.21 1wh2 n PRO 25 Ca 0.11 -0.28 0.07 0.00 -0.04 0.00 0.00 63.50 63.36 1wh2 n PRO 25 Cb 0.60 -1.49 0.32 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.69 0.00 0.00 0.54 7.50 -2.05 -3.47 115.11 118.31 1wh2 h GLN 26 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1wh2 h GLN 26 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.84 1wh2 h GLN 26 CO 0.00 0.34 0.00 0.41 -1.50 0.00 0.00 178.83 178.08 1wh2 n GLY 27 N 0.41 0.84 3.81 3.46 0.00 -0.83 -5.11 105.19 107.76 1wh2 n GLY 27 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 4.41 -0.02 0.99 2.01 -1.26 -4.72 118.68 120.10 1wh2 s LEU 28 Ca 0.00 1.44 -0.28 0.00 0.01 0.00 0.00 54.13 55.30 1wh2 s LEU 28 Cb 0.00 -3.46 -0.03 0.00 0.01 0.00 0.00 46.19 42.71 1wh2 s LEU 28 CO 0.00 0.09 0.91 -0.69 1.01 0.00 0.00 176.35 177.67 1wh2 s VAL 29 N -1.41 4.91 0.50 -1.59 1.01 -1.26 -0.47 120.40 122.10 1wh2 s VAL 29 Ca 0.40 1.90 0.05 0.00 0.00 0.00 0.00 61.98 64.33 1wh2 s VAL 29 Cb -0.18 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 31.95 1wh2 s VAL 29 CO 0.22 0.19 0.23 -1.10 0.00 0.00 0.00 175.10 174.64 1wh2 s GLN 30 N 0.95 2.23 1.36 2.72 -1.52 -0.28 -4.97 119.66 120.15 1wh2 s GLN 30 Ca 0.48 -2.07 0.00 0.00 -1.95 0.00 0.00 55.36 51.82 1wh2 s GLN 30 Cb -0.20 -1.92 0.00 0.00 -0.22 0.00 0.00 33.01 30.67 1wh2 s GLN 30 CO 0.25 -0.41 0.00 0.41 -0.25 0.00 0.00 175.29 175.30 1wh2 n GLY 31 N -1.48 -1.18 3.81 3.09 0.00 -1.26 -3.64 105.19 104.53 1wh2 n GLY 31 Ca -0.06 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 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 1.10 0.17 1.61 0.04 -1.26 -5.04 135.00 131.62 1wh2 s PRO 32 Ca 0.00 0.15 0.04 0.00 0.04 0.00 0.00 61.00 61.23 1wh2 s PRO 32 Cb 0.00 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1wh2 s PRO 32 CO 0.00 -2.20 -0.06 -0.06 0.04 0.00 0.00 177.00 174.72 1wh2 s PHE 33 N -3.39 1.35 0.52 0.56 0.08 0.37 -4.79 117.98 112.68 1wh2 s PHE 33 Ca 0.65 -0.83 -0.06 0.00 0.12 0.00 0.00 56.93 56.81 1wh2 s PHE 33 Cb -0.12 -0.73 -0.02 0.00 -0.57 0.00 0.00 43.02 41.58 1wh2 s PHE 33 CO 0.53 0.02 0.83 -1.54 -0.10 0.00 0.00 175.22 174.96 1wh2 s SER 34 N -3.21 6.03 0.43 1.36 1.04 -1.25 -1.20 113.70 116.90 1wh2 s SER 34 Ca 0.21 0.87 0.15 0.00 0.48 0.00 0.00 55.95 57.66 1wh2 s SER 34 Cb 0.04 -2.07 0.96 0.00 0.10 0.00 0.00 66.02 65.05 1wh2 s SER 34 CO 0.03 -0.76 1.95 -0.07 0.98 0.00 0.00 173.24 175.38 1wh2 h LEU 35 N 0.07 0.00 -0.76 2.42 3.38 -1.63 -1.77 115.31 117.02 1wh2 h LEU 35 Ca -0.46 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.55 1wh2 h LEU 35 Cb 1.22 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 1wh2 h LEU 35 CO 0.61 0.23 0.47 0.74 0.09 0.00 0.00 178.44 180.59 1wh2 h THR 36 N 0.00 1.07 0.28 0.22 2.02 -1.79 0.13 112.91 114.85 1wh2 h THR 36 Ca -0.00 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1wh2 h THR 36 Cb 0.42 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1wh2 h THR 36 CO 0.03 0.16 -0.13 1.56 0.37 0.00 0.00 175.52 177.51 1wh2 h GLN 37 N 0.90 -0.36 -0.87 6.66 4.20 -1.70 -0.72 115.11 123.23 1wh2 h GLN 37 Ca 0.32 0.02 0.05 0.00 0.06 0.00 0.00 58.65 59.10 1wh2 h GLN 37 Cb 0.08 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 1wh2 h GLN 37 CO -0.14 -0.02 0.55 -0.07 -0.67 0.00 0.00 178.83 178.48 1wh2 h LEU 38 N -0.88 0.88 0.56 1.46 3.38 -1.30 -0.42 115.31 118.98 1wh2 h LEU 38 Ca -0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1wh2 h LEU 38 Cb 0.51 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1wh2 h LEU 38 CO 0.06 0.58 -0.42 0.50 0.09 0.00 0.00 178.44 179.25 1wh2 h LYS 39 N 1.02 -0.92 -0.85 1.13 3.64 -0.78 -0.43 116.57 119.37 1wh2 h LYS 39 Ca 0.36 0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.90 1wh2 h LYS 39 Cb 0.10 0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 1wh2 h LYS 39 CO -0.15 -0.61 0.50 0.00 -2.27 0.00 0.00 179.45 176.92 1wh2 h ALA 40 N -0.68 1.23 -0.58 5.00 0.00 -0.23 0.21 119.26 124.19 1wh2 h ALA 40 Ca -0.06 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1wh2 h ALA 40 Cb 0.80 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1wh2 h ALA 40 CO 0.01 0.13 0.07 -1.49 0.00 0.00 0.00 179.25 177.97 1wh2 h TRP 41 N 0.84 1.06 0.00 0.00 6.55 -1.07 0.45 115.95 123.77 1wh2 h TRP 41 Ca 0.41 -0.16 -0.00 0.00 0.95 0.00 0.00 58.89 60.09 1wh2 h TRP 41 Cb 0.37 -0.29 -0.00 0.00 -0.86 0.00 0.00 29.16 28.38 1wh2 h TRP 41 CO -0.05 0.93 -0.02 1.03 -1.05 0.00 0.00 178.44 179.28 1wh2 h SER 42 N 0.88 0.00 0.13 -3.49 0.87 0.51 -1.89 113.55 110.56 1wh2 h SER 42 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1wh2 h SER 42 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1wh2 h SER 42 CO 0.02 0.02 -0.50 0.47 -0.53 0.00 0.00 176.83 176.31 1wh2 n ASP 43 N -3.17 1.35 -0.15 6.23 8.00 0.57 -4.45 116.55 124.93 1wh2 n ASP 43 Ca -0.01 -1.07 0.01 0.00 0.71 0.00 0.00 54.79 54.43 1wh2 n ASP 43 Cb 0.20 0.43 0.04 0.00 -0.02 0.00 0.00 41.12 41.76 1wh2 n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wh2 n ALA 44 N -0.65 2.04 -3.53 2.24 0.00 0.07 -5.01 120.51 115.67 1wh2 n ALA 44 Ca 0.09 -1.03 -0.25 0.00 0.00 0.00 0.00 53.44 52.25 1wh2 n ALA 44 Cb 0.39 -0.10 0.05 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.26 -6.44 0.13 0.00 1.02 -1.15 -4.92 120.64 109.02 1wh2 n GLU 45 Ca 0.03 0.77 0.04 0.00 -0.02 0.00 0.00 57.16 57.98 1wh2 n GLU 45 Cb 0.29 -5.73 0.03 0.00 -0.02 0.00 0.00 31.44 26.01 1wh2 n GLU 45 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1wh2 h TYR 46 N -2.16 0.00 -3.58 -0.32 -1.99 -1.78 -3.49 116.97 103.65 1wh2 h TYR 46 Ca -0.56 0.00 -0.48 0.00 2.00 0.00 0.00 58.73 59.69 1wh2 h TYR 46 Cb 1.37 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.96 1wh2 h TYR 46 CO 0.53 0.41 -0.53 -0.06 -0.00 0.00 0.00 178.16 178.51 1wh2 s PHE 47 N -3.02 1.71 0.32 4.88 0.08 -1.26 -5.04 117.98 115.65 1wh2 s PHE 47 Ca 0.03 -1.38 0.09 0.00 0.12 0.00 0.00 56.93 55.79 1wh2 s PHE 47 Cb 0.07 -0.96 -0.06 0.00 -0.57 0.00 0.00 43.02 41.50 1wh2 s PHE 47 CO 0.75 -0.48 -0.11 0.95 -0.10 0.00 0.00 175.22 176.23 1wh2 s THR 48 N -3.41 2.17 0.35 0.64 -4.23 -1.26 -5.00 115.64 104.90 1wh2 s THR 48 Ca 0.32 -2.23 0.08 0.00 -1.18 0.00 0.00 61.69 58.68 1wh2 s THR 48 Cb 0.04 -2.54 0.32 0.00 1.34 0.00 0.00 72.50 71.65 1wh2 s THR 48 CO 0.18 -0.26 1.88 0.11 -0.54 0.00 0.00 174.62 175.99 1wh2 h LYS 49 N 2.12 0.69 -3.60 3.99 1.57 -2.02 -3.15 116.57 116.17 1wh2 h LYS 49 Ca -0.41 -0.04 -0.74 0.00 -1.87 0.00 0.00 60.65 57.59 1wh2 h LYS 49 Cb 1.25 -0.16 -0.11 0.00 0.08 0.00 0.00 32.23 33.30 1wh2 h LYS 49 CO 0.68 0.46 2.50 0.94 -0.57 0.00 0.00 179.45 183.46 1wh2 n GLN 50 N -4.55 3.41 -3.70 3.15 7.27 -1.26 -4.75 117.38 116.96 1wh2 n GLN 50 Ca 0.16 -3.15 -0.30 0.00 0.07 0.00 0.00 57.00 53.78 1wh2 n GLN 50 Cb 0.43 -3.03 -0.15 0.00 2.41 0.00 0.00 30.24 29.90 1wh2 n GLN 50 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 1wh2 s PHE 51 N 1.33 1.53 0.51 3.69 2.19 -1.19 -5.12 117.98 120.91 1wh2 s PHE 51 Ca 0.44 -1.70 -0.05 0.00 0.33 0.00 0.00 56.93 55.95 1wh2 s PHE 51 Cb 0.12 -1.60 -0.02 0.00 -1.31 0.00 0.00 43.02 40.21 1wh2 s PHE 51 CO -0.04 -0.86 0.80 1.03 1.83 0.00 0.00 175.22 177.99 1wh2 s ARG 52 N 1.52 3.33 -0.11 10.12 3.00 -1.26 -1.06 118.95 134.50 1wh2 s ARG 52 Ca 0.11 0.08 -0.11 0.00 0.00 0.00 0.00 55.73 55.80 1wh2 s ARG 52 Cb -0.18 -2.37 0.03 0.00 0.00 0.00 0.00 34.95 32.43 1wh2 s ARG 52 CO -0.23 -0.34 0.32 0.14 0.00 0.00 0.00 175.30 175.19 1wh2 s VAL 53 N -2.79 0.01 0.12 3.52 -7.23 -0.14 -4.66 120.40 109.23 1wh2 s VAL 53 Ca 0.49 -0.06 0.04 0.00 -1.81 0.00 0.00 61.98 60.64 1wh2 s VAL 53 Cb -0.10 -0.47 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 1wh2 s VAL 53 CO 0.44 -0.04 -0.10 -1.66 -0.31 0.00 0.00 175.10 173.44 1wh2 s TRP 54 N -0.02 1.14 0.63 2.82 -2.14 -1.01 -1.65 118.94 118.70 1wh2 s TRP 54 Ca -0.02 -0.71 -0.11 0.00 2.66 0.00 0.00 56.10 57.93 1wh2 s TRP 54 Cb -0.03 -0.61 -0.03 0.00 -3.10 0.00 0.00 33.47 29.71 1wh2 s TRP 54 CO 0.01 0.02 1.04 -1.64 -2.66 0.00 0.00 176.95 173.72 1wh2 s MET 55 N -3.20 3.48 -0.58 3.25 -1.94 -1.26 -0.39 119.30 118.65 1wh2 s MET 55 Ca 0.10 0.77 -0.26 0.00 -1.71 0.00 0.00 55.69 54.59 1wh2 s MET 55 Cb -0.00 -2.06 -0.08 0.00 2.01 0.00 0.00 34.83 34.69 1wh2 s MET 55 CO -0.00 -0.66 2.36 0.95 -0.01 0.00 0.00 175.02 177.66 1wh2 s THR 56 N -3.16 3.04 0.00 2.05 -4.23 -0.12 -1.09 115.64 112.13 1wh2 s THR 56 Ca 0.56 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 1wh2 s THR 56 Cb -0.11 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1wh2 s THR 56 CO 0.54 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 1wh2 n GLY 57 N 6.19 0.64 3.87 3.99 0.00 -1.26 -5.09 105.19 113.54 1wh2 n GLY 57 Ca 0.38 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.75 1.24 0.38 1.61 0.41 -0.25 -5.06 118.70 116.29 1wh2 s GLU 58 Ca 0.00 -0.03 -0.26 0.00 -0.41 0.00 0.00 54.97 54.27 1wh2 s GLU 58 Cb 0.00 -1.88 -0.09 0.00 -1.78 0.00 0.00 34.13 30.38 1wh2 s GLU 58 CO 0.00 -2.07 1.13 -1.12 -0.49 0.00 0.00 175.26 172.71 1wh2 s SER 59 N -4.54 6.72 0.61 -0.19 0.01 -1.26 -4.89 113.70 110.16 1wh2 s SER 59 Ca 0.66 2.26 0.33 0.00 1.31 0.00 0.00 55.95 60.52 1wh2 s SER 59 Cb -0.09 -2.61 1.88 0.00 0.21 0.00 0.00 66.02 65.40 1wh2 s SER 59 CO 0.51 -0.53 2.19 -0.03 0.41 0.00 0.00 173.24 175.79 1wh2 h MET 60 N 2.83 0.00 0.00 12.44 4.05 -1.97 -2.11 114.93 130.17 1wh2 h MET 60 Ca -0.48 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1wh2 h MET 60 Cb 1.23 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 1wh2 h MET 60 CO 0.63 0.00 -0.85 0.93 0.23 0.00 0.00 176.91 177.85 1wh2 h GLU 61 N 0.00 0.00 0.00 0.39 5.08 -1.99 -2.89 114.58 115.17 1wh2 h GLU 61 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1wh2 h GLU 61 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1wh2 h GLU 61 CO -0.00 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 1wh2 n SER 62 N -2.38 0.00 -4.68 1.42 3.41 -0.80 -4.85 113.62 105.75 1wh2 n SER 62 Ca 0.02 -1.12 -0.46 0.00 -0.26 0.00 0.00 58.87 57.04 1wh2 n SER 62 Cb 0.49 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 1wh2 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wh2 n ALA 63 N -0.87 1.33 -2.40 7.33 0.00 -1.09 -4.85 120.51 119.96 1wh2 n ALA 63 Ca 0.16 0.32 -0.21 0.00 0.00 0.00 0.00 53.44 53.71 1wh2 n ALA 63 Cb 0.07 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.02 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 3.10 4.03 0.08 0.00 -7.23 -0.66 -4.67 120.40 115.05 1wh2 s VAL 64 Ca 0.87 -0.76 -0.31 0.00 -1.81 0.00 0.00 61.98 59.97 1wh2 s VAL 64 Cb -0.62 -3.44 -0.08 0.00 0.56 0.00 0.00 36.38 32.80 1wh2 s VAL 64 CO 0.44 -0.24 1.48 -0.76 -0.31 0.00 0.00 175.10 175.72 1wh2 s LEU 65 N -4.36 4.36 0.36 1.32 1.43 -1.26 -0.97 118.68 119.56 1wh2 s LEU 65 Ca 0.47 2.36 0.13 0.00 -1.03 0.00 0.00 54.13 56.05 1wh2 s LEU 65 Cb -0.10 -3.58 0.94 0.00 0.03 0.00 0.00 46.19 43.49 1wh2 s LEU 65 CO 0.34 -0.75 1.80 0.25 0.23 0.00 0.00 176.35 178.22 1wh2 h LEU 66 N 7.60 0.58 -0.54 1.79 5.85 -1.40 0.19 115.31 129.38 1wh2 h LEU 66 Ca -0.41 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1wh2 h LEU 66 Cb 1.20 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1wh2 h LEU 66 CO 0.90 0.19 0.00 0.74 -0.34 0.00 0.00 178.44 179.92 1wh2 h THR 67 N 0.55 0.00 0.04 1.05 2.02 -1.85 -1.56 112.91 113.15 1wh2 h THR 67 Ca 0.55 -0.37 -0.33 0.00 0.77 0.00 0.00 66.41 67.03 1wh2 h THR 67 Cb 1.16 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.75 1wh2 h THR 67 CO -0.30 0.00 -1.93 0.47 0.37 0.00 0.00 175.52 174.12 1wh2 n ASP 68 N -2.38 1.19 -0.30 4.18 8.00 -0.05 -3.80 116.55 123.39 1wh2 n ASP 68 Ca 0.03 0.26 0.05 0.00 0.71 0.00 0.00 54.79 55.85 1wh2 n ASP 68 Cb 0.31 -0.17 0.20 0.00 -0.02 0.00 0.00 41.12 41.44 1wh2 n ASP 68 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1wh2 h VAL 69 N 0.02 0.81 -0.50 2.53 2.07 -0.75 0.21 116.25 120.65 1wh2 h VAL 69 Ca -0.38 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 66.97 1wh2 h VAL 69 Cb 2.04 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1wh2 h VAL 69 CO 0.06 0.13 0.33 -0.07 0.02 0.00 0.00 177.57 178.05 1wh2 h LEU 70 N 0.70 0.32 0.13 2.57 4.07 -1.45 -1.16 115.31 120.50 1wh2 h LEU 70 Ca 0.44 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 58.07 1wh2 h LEU 70 Cb 0.53 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 1wh2 h LEU 70 CO -0.31 0.20 -1.65 -0.09 -1.08 0.00 0.00 178.44 175.51 1wh2 h ARG 71 N 0.36 0.28 0.21 1.13 2.43 -1.13 -3.35 114.38 114.31 1wh2 h ARG 71 Ca 0.22 -0.48 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 1wh2 h ARG 71 Cb 0.41 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1wh2 h ARG 71 CO -0.05 1.15 -0.10 -0.07 -1.51 0.00 0.00 179.97 179.39 1wh2 h LEU 72 N 0.08 -0.24 -8.02 3.80 3.38 -0.27 -3.36 115.31 110.67 1wh2 h LEU 72 Ca -0.29 -0.09 -0.70 0.00 0.09 0.00 0.00 57.88 56.89 1wh2 h LEU 72 Cb 2.04 0.06 -0.32 0.00 0.09 0.00 0.00 40.66 42.54 1wh2 h LEU 72 CO 0.16 -0.06 -0.59 -0.55 0.09 0.00 0.00 178.44 177.49 1wh2 s SER 73 N -5.06 5.23 0.00 -0.43 0.15 -0.47 -5.01 113.70 108.10 1wh2 s SER 73 Ca -0.15 -1.52 0.00 0.00 0.70 0.00 0.00 55.95 54.98 1wh2 s SER 73 Cb 0.04 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 1wh2 s SER 73 CO 0.63 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1wh2 n GLY 74 N 4.70 -1.23 3.77 9.45 0.00 -1.26 -4.48 105.19 116.15 1wh2 n GLY 74 Ca -0.09 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.78 3.48 0.96 1.61 0.04 -1.26 -5.05 135.00 134.00 1wh2 s PRO 75 Ca 0.00 1.81 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 1wh2 s PRO 75 Cb 0.00 -2.24 0.21 0.00 0.04 0.00 0.00 34.50 32.51 1wh2 s PRO 75 CO 0.00 -0.79 1.32 0.45 0.04 0.00 0.00 177.00 178.01 1wh2 s SER 76 N -1.42 3.03 -0.34 6.66 0.15 -1.26 -4.77 113.70 115.75 1wh2 s SER 76 Ca 0.69 0.14 -0.10 0.00 0.70 0.00 0.00 55.95 57.37 1wh2 s SER 76 Cb -0.30 -0.14 0.01 0.00 -1.71 0.00 0.00 66.02 63.88 1wh2 s SER 76 CO 0.35 -2.77 0.31 -0.24 1.20 0.00 0.00 173.24 172.08 1wh2 n SER 77 N -3.75 -7.63 0.00 5.45 2.88 -1.26 -5.31 113.62 104.00 1wh2 n SER 77 Ca 0.16 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1wh2 n SER 77 Cb 0.59 -4.65 0.00 0.00 -0.75 0.00 0.00 64.21 59.40 1wh2 n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42