#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 6.10 0.88 1.61 0.01 -1.26 -5.00 113.70 116.04 1wh2 s SER 2 Ca 0.00 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1wh2 s SER 2 Cb 0.00 -1.46 0.00 0.00 0.21 0.00 0.00 66.02 64.77 1wh2 s SER 2 CO 0.00 -0.30 0.00 -1.20 0.41 0.00 0.00 173.24 172.15 1wh2 n SER 3 N -1.56 -5.27 0.00 2.44 7.64 -1.26 -5.11 113.62 110.50 1wh2 n SER 3 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1wh2 n SER 3 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1wh2 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh2 n GLY 4 N 0.00 0.63 3.02 0.23 0.00 -1.26 -5.11 105.19 102.70 1wh2 n GLY 4 Ca 0.00 -1.87 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 1wh2 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wh2 s SER 5 N -0.97 2.24 0.26 1.61 1.04 -1.26 -5.12 113.70 111.50 1wh2 s SER 5 Ca 0.00 -0.38 -0.07 0.00 0.48 0.00 0.00 55.95 55.99 1wh2 s SER 5 Cb 0.00 -0.99 0.03 0.00 0.10 0.00 0.00 66.02 65.16 1wh2 s SER 5 CO 0.00 -0.00 0.46 -0.24 0.98 0.00 0.00 173.24 174.43 1wh2 n SER 6 N 4.23 -1.31 -0.18 7.02 2.88 -1.26 -5.18 113.62 119.81 1wh2 n SER 6 Ca -0.19 -2.16 0.00 0.00 -1.33 0.00 0.00 58.87 55.19 1wh2 n SER 6 Cb 0.51 2.26 0.00 0.00 -0.75 0.00 0.00 64.21 66.23 1wh2 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh2 n GLY 7 N -0.37 4.73 3.58 0.46 0.00 -1.26 -5.06 105.19 107.27 1wh2 n GLY 7 Ca -0.04 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.39 3.44 1.20 1.61 1.01 -1.26 -4.99 120.40 120.03 1wh2 s VAL 8 Ca 0.00 0.40 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 1wh2 s VAL 8 Cb 0.00 -3.74 0.28 0.00 0.00 0.00 0.00 36.38 32.93 1wh2 s VAL 8 CO 0.00 -0.57 1.05 -0.13 0.00 0.00 0.00 175.10 175.45 1wh2 s ARG 9 N 6.15 -1.22 0.72 2.72 1.81 -1.26 -5.04 118.95 122.83 1wh2 s ARG 9 Ca 0.76 0.28 -0.15 0.00 -1.72 0.00 0.00 55.73 54.90 1wh2 s ARG 9 Cb -0.19 -1.57 0.03 0.00 -0.45 0.00 0.00 34.95 32.78 1wh2 s ARG 9 CO 0.29 -3.78 1.17 0.14 -0.68 0.00 0.00 175.30 172.44 1wh2 s VAL 10 N -2.72 2.59 -0.04 3.52 -7.23 -1.26 -5.06 120.40 110.19 1wh2 s VAL 10 Ca 0.69 0.28 0.02 0.00 -1.81 0.00 0.00 61.98 61.16 1wh2 s VAL 10 Cb -0.16 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 33.98 1wh2 s VAL 10 CO 0.59 -0.16 -0.08 -1.48 -0.31 0.00 0.00 175.10 173.65 1wh2 s LEU 11 N -5.12 1.59 -0.21 1.32 0.05 -1.26 -5.12 118.68 109.94 1wh2 s LEU 11 Ca 0.72 -0.19 -0.03 0.00 0.05 0.00 0.00 54.13 54.67 1wh2 s LEU 11 Cb -0.26 -0.58 0.07 0.00 -2.05 0.00 0.00 46.19 43.36 1wh2 s LEU 11 CO 0.45 0.02 0.06 -0.44 -0.55 0.00 0.00 176.35 175.88 1wh2 s SER 12 N 0.56 2.94 -0.51 1.48 0.01 -1.26 -5.08 113.70 111.84 1wh2 s SER 12 Ca -0.09 -0.88 -0.27 0.00 1.31 0.00 0.00 55.95 56.02 1wh2 s SER 12 Cb -0.13 -0.54 -0.04 0.00 0.21 0.00 0.00 66.02 65.52 1wh2 s SER 12 CO 0.01 -0.33 2.11 -0.31 0.41 0.00 0.00 173.24 175.13 1wh2 s TYR 13 N 1.90 1.39 -0.13 2.43 1.51 -1.26 -4.96 117.35 118.23 1wh2 s TYR 13 Ca 0.01 1.09 -0.27 0.00 -1.01 0.00 0.00 57.07 56.89 1wh2 s TYR 13 Cb -0.17 -3.86 -0.02 0.00 -0.11 0.00 0.00 41.96 37.80 1wh2 s TYR 13 CO -0.11 -2.58 0.89 0.34 -1.11 0.00 0.00 175.55 172.97 1wh2 s ASP 14 N 9.68 7.07 0.00 2.29 -1.08 -1.26 -4.94 116.67 128.43 1wh2 s ASP 14 Ca 0.84 1.32 0.26 0.00 -0.52 0.00 0.00 52.55 54.44 1wh2 s ASP 14 Cb -0.17 -2.49 0.59 0.00 -1.46 0.00 0.00 42.92 39.39 1wh2 s ASP 14 CO 0.25 -0.39 1.46 2.29 0.52 0.00 0.00 175.17 179.30 1wh2 n LYS 15 N 5.01 0.97 -0.04 4.34 2.85 -1.26 -4.26 118.16 125.77 1wh2 n LYS 15 Ca 0.06 -0.64 -0.08 0.00 -1.05 0.00 0.00 58.31 56.60 1wh2 n LYS 15 Cb 0.49 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.35 1wh2 n LYS 15 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1wh2 n GLU 16 N -0.45 0.16 -2.08 -1.58 1.02 -1.26 -1.54 120.64 114.91 1wh2 n GLU 16 Ca 0.12 0.07 -0.39 0.00 -0.02 0.00 0.00 57.16 56.93 1wh2 n GLU 16 Cb 0.38 -0.83 -0.01 0.00 -0.02 0.00 0.00 31.44 30.97 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 -2.14 3.94 -0.89 3.49 -2.85 -1.26 -4.56 119.74 115.47 1wh2 s LYS 17 Ca -0.11 2.10 -0.25 0.00 -1.00 0.00 0.00 55.97 56.72 1wh2 s LYS 17 Cb 0.04 -2.72 0.03 0.00 -2.06 0.00 0.00 37.83 33.12 1wh2 s LYS 17 CO 0.14 -0.49 1.49 -0.51 0.10 0.00 0.00 175.35 176.08 1wh2 s LEU 18 N -2.49 3.34 0.00 2.77 2.01 -1.26 -4.24 118.68 118.80 1wh2 s LEU 18 Ca 0.58 -0.92 0.00 0.00 0.01 0.00 0.00 54.13 53.80 1wh2 s LEU 18 Cb -0.37 -2.56 0.00 0.00 0.01 0.00 0.00 46.19 43.27 1wh2 s LEU 18 CO 0.47 -1.83 0.23 -3.20 1.01 0.00 0.00 176.35 173.02 1wh2 n ASN 19 N 9.98 0.44 -4.10 2.29 5.15 -0.78 -4.62 115.26 123.61 1wh2 n ASN 19 Ca 0.24 -1.01 -0.27 0.00 -0.60 0.00 0.00 54.58 52.94 1wh2 n ASN 19 Cb 0.50 0.00 -0.17 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 -0.01 1.81 0.22 1.20 0.52 -0.95 -1.52 118.94 120.21 1wh2 s TRP 20 Ca 0.00 -0.67 0.07 0.00 0.02 0.00 0.00 56.10 55.52 1wh2 s TRP 20 Cb 0.00 -1.26 -0.04 0.00 -1.15 0.00 0.00 33.47 31.02 1wh2 s TRP 20 CO 0.00 -0.30 0.11 -0.51 0.02 0.00 0.00 176.95 176.27 1wh2 s LEU 21 N 0.47 3.59 0.03 2.99 1.43 0.13 -0.58 118.68 126.75 1wh2 s LEU 21 Ca -0.14 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1wh2 s LEU 21 Cb -0.16 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 1wh2 s LEU 21 CO 0.05 0.02 -0.01 -0.72 0.23 0.00 0.00 176.35 175.91 1wh2 s TYR 22 N -2.02 0.36 -0.15 0.29 -0.85 -1.18 -2.36 117.35 111.44 1wh2 s TYR 22 Ca 0.31 -0.74 -0.17 0.00 -0.52 0.00 0.00 57.07 55.95 1wh2 s TYR 22 Cb -0.08 -0.26 -0.04 0.00 0.38 0.00 0.00 41.96 41.95 1wh2 s TYR 22 CO 0.22 -0.29 0.43 0.21 -1.52 0.00 0.00 175.55 174.60 1wh2 s LYS 23 N -2.60 4.27 0.72 -3.49 2.20 -1.26 -0.72 119.74 118.87 1wh2 s LYS 23 Ca -0.05 0.32 -0.09 0.00 -0.36 0.00 0.00 55.97 55.78 1wh2 s LYS 23 Cb -0.02 -3.47 0.05 0.00 -1.51 0.00 0.00 37.83 32.88 1wh2 s LYS 23 CO -0.05 0.09 1.07 0.16 -0.36 0.00 0.00 175.35 176.27 1wh2 s ASP 24 N 0.75 4.97 0.35 1.43 1.47 0.09 -4.95 116.67 120.78 1wh2 s ASP 24 Ca 0.22 0.76 0.27 0.00 1.18 0.00 0.00 52.55 54.98 1wh2 s ASP 24 Cb -0.15 -1.44 1.17 0.00 -0.34 0.00 0.00 42.92 42.16 1wh2 s ASP 24 CO 0.08 -1.57 1.80 -0.65 0.68 0.00 0.00 175.17 175.51 1wh2 h PRO 25 N -0.71 0.00 0.00 2.11 0.11 -1.99 -2.31 132.00 129.21 1wh2 h PRO 25 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1wh2 h PRO 25 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1wh2 h PRO 25 CO 0.63 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.38 1wh2 h GLN 26 N 0.00 0.00 -0.03 1.05 4.20 -2.04 -3.46 115.11 114.82 1wh2 h GLN 26 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1wh2 h GLN 26 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1wh2 h GLN 26 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1wh2 n GLY 27 N 0.07 1.58 3.25 3.46 0.00 -0.87 -5.11 105.19 107.56 1wh2 n GLY 27 Ca 0.01 -0.08 -0.29 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 -0.03 2.03 -0.33 0.99 2.01 -1.25 -4.96 118.68 117.15 1wh2 s LEU 28 Ca 0.00 -0.44 -0.29 0.00 0.01 0.00 0.00 54.13 53.41 1wh2 s LEU 28 Cb 0.00 -1.22 0.02 0.00 0.01 0.00 0.00 46.19 45.00 1wh2 s LEU 28 CO 0.00 0.26 1.08 -0.69 1.01 0.00 0.00 176.35 178.00 1wh2 s VAL 29 N -0.35 4.50 0.35 -1.59 1.01 -1.26 -0.73 120.40 122.32 1wh2 s VAL 29 Ca 0.03 1.71 0.02 0.00 0.00 0.00 0.00 61.98 63.74 1wh2 s VAL 29 Cb -0.11 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 1wh2 s VAL 29 CO 0.01 -0.50 0.53 -1.10 0.00 0.00 0.00 175.10 174.04 1wh2 s GLN 30 N 3.68 3.38 0.00 2.72 -1.52 0.10 -4.98 119.66 123.04 1wh2 s GLN 30 Ca 0.45 -0.48 0.00 0.00 -1.95 0.00 0.00 55.36 53.39 1wh2 s GLN 30 Cb -0.12 -2.69 0.00 0.00 -0.22 0.00 0.00 33.01 29.98 1wh2 s GLN 30 CO 0.16 0.11 0.00 0.41 -0.25 0.00 0.00 175.29 175.72 1wh2 n GLY 31 N -1.77 -0.66 3.79 3.09 0.00 -1.26 -3.09 105.19 105.29 1wh2 n GLY 31 Ca -0.04 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 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 1.65 0.18 1.61 0.04 -1.26 -5.07 135.00 132.15 1wh2 s PRO 32 Ca 0.00 0.50 0.02 0.00 0.04 0.00 0.00 61.00 61.56 1wh2 s PRO 32 Cb 0.00 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 1wh2 s PRO 32 CO 0.00 -1.89 0.02 -0.06 0.04 0.00 0.00 177.00 175.10 1wh2 s PHE 33 N -3.19 1.24 0.63 0.56 0.08 0.25 -4.79 117.98 112.77 1wh2 s PHE 33 Ca 0.62 -1.05 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 1wh2 s PHE 33 Cb -0.15 -0.71 -0.02 0.00 -0.57 0.00 0.00 43.02 41.57 1wh2 s PHE 33 CO 0.54 -0.24 1.03 -1.54 -0.10 0.00 0.00 175.22 174.91 1wh2 s SER 34 N -3.19 6.00 0.50 1.36 1.04 -1.26 -1.87 113.70 116.29 1wh2 s SER 34 Ca 0.26 1.28 0.29 0.00 0.48 0.00 0.00 55.95 58.26 1wh2 s SER 34 Cb 0.06 -2.28 1.20 0.00 0.10 0.00 0.00 66.02 65.10 1wh2 s SER 34 CO 0.05 -0.99 1.93 -0.07 0.98 0.00 0.00 173.24 175.15 1wh2 h LEU 35 N -0.37 0.00 -0.25 2.42 3.38 -1.59 -1.84 115.31 117.06 1wh2 h LEU 35 Ca -0.44 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.32 1wh2 h LEU 35 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1wh2 h LEU 35 CO 0.62 0.11 -0.64 0.74 0.09 0.00 0.00 178.44 179.36 1wh2 h THR 36 N 0.00 1.28 0.21 0.22 2.02 -1.64 0.81 112.91 115.80 1wh2 h THR 36 Ca -0.00 -1.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.33 1wh2 h THR 36 Cb 0.59 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1wh2 h THR 36 CO 0.01 0.59 -0.10 1.56 0.37 0.00 0.00 175.52 177.96 1wh2 h GLN 37 N 0.61 -0.27 -0.49 6.66 4.20 -1.79 -2.00 115.11 122.03 1wh2 h GLN 37 Ca -0.01 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1wh2 h GLN 37 Cb 1.26 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 1wh2 h GLN 37 CO 0.14 -0.10 0.32 -0.07 -0.67 0.00 0.00 178.83 178.45 1wh2 h LEU 38 N -0.38 0.57 -0.40 1.46 3.38 -1.30 -1.77 115.31 116.87 1wh2 h LEU 38 Ca -0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1wh2 h LEU 38 Cb 0.29 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1wh2 h LEU 38 CO 0.05 0.42 0.12 0.50 0.09 0.00 0.00 178.44 179.62 1wh2 h LYS 39 N 0.66 0.62 -0.92 1.13 3.64 -0.86 -1.21 116.57 119.64 1wh2 h LYS 39 Ca 0.18 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1wh2 h LYS 39 Cb -0.06 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.61 1wh2 h LYS 39 CO -0.04 0.63 0.59 0.00 -2.27 0.00 0.00 179.45 178.36 1wh2 h ALA 40 N 0.97 1.23 -0.35 5.00 0.00 -1.01 0.15 119.26 125.25 1wh2 h ALA 40 Ca 0.13 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1wh2 h ALA 40 Cb 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1wh2 h ALA 40 CO -0.00 0.42 -0.24 -1.49 0.00 0.00 0.00 179.25 177.94 1wh2 h TRP 41 N 1.12 0.77 -0.35 0.00 6.55 -1.17 0.10 115.95 122.98 1wh2 h TRP 41 Ca 0.38 -0.17 -0.16 0.00 0.95 0.00 0.00 58.89 59.88 1wh2 h TRP 41 Cb 0.06 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 28.16 1wh2 h TRP 41 CO -0.02 0.86 -0.40 1.03 -1.05 0.00 0.00 178.44 178.86 1wh2 h SER 42 N 0.60 0.92 -0.41 -3.49 0.87 -0.19 -0.31 113.55 111.54 1wh2 h SER 42 Ca 0.08 -0.43 0.03 0.00 -1.23 0.00 0.00 61.79 60.25 1wh2 h SER 42 Cb 0.72 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 1wh2 h SER 42 CO 0.06 1.20 0.20 0.44 -0.53 0.00 0.00 176.83 178.20 1wh2 h ASP 43 N 0.70 0.30 0.15 6.23 3.32 -0.60 -1.70 116.42 124.82 1wh2 h ASP 43 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1wh2 h ASP 43 Cb 0.98 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1wh2 h ASP 43 CO 0.09 0.22 0.00 0.00 -1.72 0.00 0.00 179.24 177.83 1wh2 n ALA 44 N -2.29 1.91 -2.08 3.45 0.00 0.01 -4.88 120.51 116.62 1wh2 n ALA 44 Ca 0.02 -0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 1wh2 n ALA 44 Cb 0.10 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.16 -1.35 -0.03 0.00 1.02 -0.64 -4.91 120.64 113.57 1wh2 n GLU 45 Ca 0.09 0.94 -0.10 0.00 -0.02 0.00 0.00 57.16 58.07 1wh2 n GLU 45 Cb 0.08 -5.35 -0.04 0.00 -0.02 0.00 0.00 31.44 26.12 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 0.00 0.07 -2.45 -0.32 -1.99 -1.32 -3.46 116.97 107.50 1wh2 h TYR 46 Ca -0.40 0.01 -0.45 0.00 2.00 0.00 0.00 58.73 59.89 1wh2 h TYR 46 Cb 1.26 -0.01 0.06 0.00 2.00 0.00 0.00 36.73 40.04 1wh2 h TYR 46 CO 0.48 0.03 0.02 -0.06 -0.00 0.00 0.00 178.16 178.62 1wh2 s PHE 47 N -6.19 2.50 0.37 4.88 0.08 -1.25 -5.04 117.98 113.33 1wh2 s PHE 47 Ca -0.13 -0.07 0.08 0.00 0.12 0.00 0.00 56.93 56.93 1wh2 s PHE 47 Cb 0.09 -2.83 -0.04 0.00 -0.57 0.00 0.00 43.02 39.66 1wh2 s PHE 47 CO 0.68 -1.13 0.16 0.95 -0.10 0.00 0.00 175.22 175.78 1wh2 s THR 48 N -2.89 2.71 -1.85 0.64 -4.23 -1.26 -4.96 115.64 103.80 1wh2 s THR 48 Ca 0.60 -1.70 0.09 0.00 -1.18 0.00 0.00 61.69 59.50 1wh2 s THR 48 Cb -0.09 -2.97 0.23 0.00 1.34 0.00 0.00 72.50 71.01 1wh2 s THR 48 CO 0.40 -0.11 1.04 0.29 -0.54 0.00 0.00 174.62 175.70 1wh2 n LYS 49 N -1.19 0.24 -2.81 3.99 4.76 -1.26 -2.40 118.16 119.49 1wh2 n LYS 49 Ca -0.02 0.05 -0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1wh2 n LYS 49 Cb 0.63 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.38 1wh2 n LYS 49 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1wh2 n GLN 50 N -1.08 1.66 -2.65 1.97 6.02 -1.26 -5.10 117.38 116.95 1wh2 n GLN 50 Ca 0.06 -3.10 -0.33 0.00 -0.01 0.00 0.00 57.00 53.61 1wh2 n GLN 50 Cb 0.04 -1.25 -0.05 0.00 1.02 0.00 0.00 30.24 30.00 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 -3.11 3.18 0.13 1.08 5.36 -1.01 -4.98 117.98 118.62 1wh2 s PHE 51 Ca 0.24 1.58 0.03 0.00 -0.96 0.00 0.00 56.93 57.82 1wh2 s PHE 51 Cb 0.34 -2.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.04 1wh2 s PHE 51 CO -0.06 -0.47 -0.08 1.03 -1.46 0.00 0.00 175.22 174.19 1wh2 s ARG 52 N -3.30 0.98 0.05 10.12 3.00 -1.26 -1.17 118.95 127.37 1wh2 s ARG 52 Ca 0.64 -1.41 -0.03 0.00 0.00 0.00 0.00 55.73 54.93 1wh2 s ARG 52 Cb -0.12 -0.44 -0.03 0.00 0.00 0.00 0.00 34.95 34.36 1wh2 s ARG 52 CO 0.18 0.02 0.02 0.14 0.00 0.00 0.00 175.30 175.67 1wh2 s VAL 53 N -3.47 0.18 0.10 3.52 -7.23 -0.83 -4.71 120.40 107.96 1wh2 s VAL 53 Ca 0.15 -1.48 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1wh2 s VAL 53 Cb 0.04 -1.23 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1wh2 s VAL 53 CO -0.01 -0.82 -0.07 -1.66 -0.31 0.00 0.00 175.10 172.23 1wh2 s TRP 54 N -3.38 0.94 0.62 2.82 -2.14 -0.99 -1.11 118.94 115.70 1wh2 s TRP 54 Ca 0.02 -0.89 -0.14 0.00 2.66 0.00 0.00 56.10 57.75 1wh2 s TRP 54 Cb 0.04 -0.53 -0.02 0.00 -3.10 0.00 0.00 33.47 29.85 1wh2 s TRP 54 CO -0.08 -0.12 1.05 -1.64 -2.66 0.00 0.00 176.95 173.50 1wh2 s MET 55 N -3.80 3.25 0.47 3.25 -1.94 -1.26 -0.69 119.30 118.57 1wh2 s MET 55 Ca 0.12 1.09 -0.25 0.00 -1.71 0.00 0.00 55.69 54.95 1wh2 s MET 55 Cb 0.05 -2.03 -0.08 0.00 2.01 0.00 0.00 34.83 34.78 1wh2 s MET 55 CO -0.04 -0.86 1.41 0.95 -0.01 0.00 0.00 175.02 176.47 1wh2 s THR 56 N -2.68 2.09 0.00 2.05 -4.23 -0.58 -2.71 115.64 109.58 1wh2 s THR 56 Ca 0.61 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 1wh2 s THR 56 Cb -0.15 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1wh2 s THR 56 CO 0.43 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.13 1wh2 n GLY 57 N 0.61 0.60 3.67 3.99 0.00 -1.26 -5.03 105.19 107.76 1wh2 n GLY 57 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.20 2.12 0.43 1.61 2.02 -1.10 -5.13 118.70 118.44 1wh2 s GLU 58 Ca 0.00 -1.82 -0.22 0.00 0.02 0.00 0.00 54.97 52.96 1wh2 s GLU 58 Cb 0.00 -1.92 -0.10 0.00 0.10 0.00 0.00 34.13 32.21 1wh2 s GLU 58 CO 0.00 0.04 0.98 -1.54 0.02 0.00 0.00 175.26 174.76 1wh2 s SER 59 N -3.78 6.83 0.40 -0.19 1.04 -1.26 -4.91 113.70 111.84 1wh2 s SER 59 Ca 0.37 1.80 0.10 0.00 0.48 0.00 0.00 55.95 58.70 1wh2 s SER 59 Cb 0.02 -2.55 0.83 0.00 0.10 0.00 0.00 66.02 64.42 1wh2 s SER 59 CO 0.20 -0.44 1.95 -0.03 0.98 0.00 0.00 173.24 175.91 1wh2 h MET 60 N 2.06 0.26 0.00 4.02 4.05 -2.00 -2.70 114.93 120.63 1wh2 h MET 60 Ca -0.49 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 58.83 1wh2 h MET 60 Cb 1.19 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.95 1wh2 h MET 60 CO 0.61 0.35 -0.25 0.93 0.23 0.00 0.00 176.91 178.78 1wh2 h GLU 61 N 0.26 0.00 -0.02 0.39 5.08 -2.00 -1.09 114.58 117.19 1wh2 h GLU 61 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1wh2 h GLU 61 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1wh2 h GLU 61 CO 0.01 0.25 0.00 0.43 -1.00 0.00 0.00 179.01 178.70 1wh2 n SER 62 N -3.66 0.12 -4.76 1.42 7.64 -1.02 -4.92 113.62 108.45 1wh2 n SER 62 Ca -0.01 -1.86 -0.41 0.00 1.01 0.00 0.00 58.87 57.60 1wh2 n SER 62 Cb 0.37 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.54 1wh2 n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wh2 s ALA 63 N -1.97 3.66 0.37 -0.43 0.00 -0.42 -4.90 121.76 118.08 1wh2 s ALA 63 Ca 0.08 1.52 0.04 0.00 0.00 0.00 0.00 51.96 53.60 1wh2 s ALA 63 Cb 0.04 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 1wh2 s ALA 63 CO 0.06 -0.95 0.54 0.14 0.00 0.00 0.00 175.76 175.55 1wh2 s VAL 64 N -0.41 4.23 -0.02 0.00 -7.23 -0.27 -4.85 120.40 111.85 1wh2 s VAL 64 Ca 0.59 -0.77 -0.30 0.00 -1.81 0.00 0.00 61.98 59.69 1wh2 s VAL 64 Cb -0.46 -3.51 -0.06 0.00 0.56 0.00 0.00 36.38 32.91 1wh2 s VAL 64 CO 0.52 -0.27 1.52 -0.76 -0.31 0.00 0.00 175.10 175.80 1wh2 s LEU 65 N -4.31 4.31 0.44 1.32 1.43 -1.26 -1.97 118.68 118.63 1wh2 s LEU 65 Ca 0.45 2.18 0.16 0.00 -1.03 0.00 0.00 54.13 55.89 1wh2 s LEU 65 Cb -0.10 -3.55 1.09 0.00 0.03 0.00 0.00 46.19 43.66 1wh2 s LEU 65 CO 0.34 -0.83 1.94 0.25 0.23 0.00 0.00 176.35 178.29 1wh2 h LEU 66 N 9.21 0.34 -1.69 1.79 5.85 -1.44 -0.75 115.31 128.61 1wh2 h LEU 66 Ca -0.38 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1wh2 h LEU 66 Cb 1.17 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1wh2 h LEU 66 CO 0.93 0.18 -0.16 0.71 -0.34 0.00 0.00 178.44 179.77 1wh2 h THR 67 N 0.36 0.60 0.19 1.05 1.35 -1.90 0.27 112.91 114.83 1wh2 h THR 67 Ca 0.33 -0.72 -0.01 0.00 -0.55 0.00 0.00 66.41 65.47 1wh2 h THR 67 Cb 0.79 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1wh2 h THR 67 CO -0.09 0.16 -0.09 -0.78 -0.25 0.00 0.00 175.52 174.46 1wh2 h ASP 68 N 0.00 -0.21 -0.97 5.36 1.82 -1.53 -3.19 116.42 117.70 1wh2 h ASP 68 Ca -0.00 -0.29 0.12 0.00 -0.39 0.00 0.00 57.03 56.47 1wh2 h ASP 68 Cb 0.45 0.06 -0.08 0.00 0.68 0.00 0.00 39.33 40.44 1wh2 h ASP 68 CO 0.02 0.33 0.62 0.58 -1.61 0.00 0.00 179.24 179.18 1wh2 h VAL 69 N -0.92 0.91 -0.19 2.25 2.07 -1.16 0.40 116.25 119.62 1wh2 h VAL 69 Ca -0.03 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1wh2 h VAL 69 Cb 0.49 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1wh2 h VAL 69 CO 0.04 0.17 -0.04 -0.07 0.02 0.00 0.00 177.57 177.69 1wh2 h LEU 70 N 0.93 -0.15 -0.64 2.57 4.07 -1.05 0.60 115.31 121.63 1wh2 h LEU 70 Ca 0.48 0.05 -0.06 0.00 0.08 0.00 0.00 57.88 58.43 1wh2 h LEU 70 Cb 0.52 0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.34 1wh2 h LEU 70 CO -0.24 -0.05 0.18 -0.09 -1.08 0.00 0.00 178.44 177.15 1wh2 h ARG 71 N 0.01 1.01 -0.74 1.13 2.43 -1.11 -2.38 114.38 114.73 1wh2 h ARG 71 Ca 0.09 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1wh2 h ARG 71 Cb 0.13 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1wh2 h ARG 71 CO -0.18 0.90 0.43 -0.07 -1.51 0.00 0.00 179.97 179.54 1wh2 h LEU 72 N 0.93 0.89 -2.21 3.80 3.38 -0.60 0.65 115.31 122.16 1wh2 h LEU 72 Ca 0.20 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1wh2 h LEU 72 Cb 0.33 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1wh2 h LEU 72 CO -0.00 0.69 0.11 -0.24 0.09 0.00 0.00 178.44 179.09 1wh2 n SER 73 N -4.38 2.84 -4.59 -0.43 2.88 0.17 -4.88 113.62 105.23 1wh2 n SER 73 Ca 0.08 -2.36 -0.23 0.00 -1.33 0.00 0.00 58.87 55.02 1wh2 n SER 73 Cb 0.07 -0.58 -0.08 0.00 -0.75 0.00 0.00 64.21 62.88 1wh2 n SER 73 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wh2 s GLY 74 N 0.15 1.73 0.79 0.46 0.00 0.22 -4.98 107.32 105.70 1wh2 s GLY 74 Ca 0.15 -1.73 -0.11 0.00 0.00 0.00 0.00 44.72 43.04 1wh2 s GLY 74 CO 0.03 -1.80 1.09 2.56 0.00 0.00 0.00 173.10 174.99 1wh2 s PRO 75 N -3.61 2.08 -1.39 2.90 0.04 -1.26 -4.93 135.00 128.83 1wh2 s PRO 75 Ca 0.31 1.11 -0.16 0.00 0.04 0.00 0.00 61.00 62.31 1wh2 s PRO 75 Cb -0.06 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.65 1wh2 s PRO 75 CO 0.18 -1.75 2.02 -1.13 0.04 0.00 0.00 177.00 176.36 1wh2 n SER 76 N -3.59 4.30 -3.28 6.66 3.41 -1.26 -4.71 113.62 115.15 1wh2 n SER 76 Ca 0.09 -2.87 -0.08 0.00 -0.26 0.00 0.00 58.87 55.75 1wh2 n SER 76 Cb 0.53 -1.69 -0.04 0.00 -0.26 0.00 0.00 64.21 62.75 1wh2 n SER 76 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wh2 s SER 77 N 3.65 -0.16 0.00 4.04 1.04 -1.26 -5.32 113.70 115.69 1wh2 s SER 77 Ca 0.50 -1.01 0.31 0.00 0.48 0.00 0.00 55.95 56.23 1wh2 s SER 77 Cb 0.10 1.27 1.67 0.00 0.10 0.00 0.00 66.02 69.16 1wh2 s SER 77 CO -0.02 -0.24 2.10 0.61 0.98 0.00 0.00 173.24 176.67