#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 -0.42 0.26 1.61 0.15 -1.26 -5.20 113.70 108.84 1wh2 s SER 2 Ca 0.00 -0.21 -0.19 0.00 0.70 0.00 0.00 55.95 56.25 1wh2 s SER 2 Cb 0.00 0.60 0.02 0.00 -1.71 0.00 0.00 66.02 64.93 1wh2 s SER 2 CO 0.00 -1.03 0.64 -0.55 1.20 0.00 0.00 173.24 173.50 1wh2 s SER 3 N -2.78 -0.24 1.01 5.45 0.15 -1.26 -5.18 113.70 110.84 1wh2 s SER 3 Ca 0.05 -0.62 -0.02 0.00 0.70 0.00 0.00 55.95 56.05 1wh2 s SER 3 Cb -0.02 0.68 0.03 0.00 -1.71 0.00 0.00 66.02 64.99 1wh2 s SER 3 CO -0.05 -1.25 0.18 0.61 1.20 0.00 0.00 173.24 173.92 1wh2 n GLY 4 N -0.43 -1.40 2.88 9.45 0.00 -1.26 -4.86 105.19 109.57 1wh2 n GLY 4 Ca -0.05 -1.64 -0.07 0.00 0.00 0.00 0.00 46.02 44.26 1wh2 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh2 n SER 5 N -3.14 -7.94 0.00 1.61 7.64 -1.26 -5.02 113.62 105.51 1wh2 n SER 5 Ca 0.02 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1wh2 n SER 5 Cb 0.08 -5.39 0.00 0.00 -1.01 0.00 0.00 64.21 57.89 1wh2 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh2 n SER 6 N -0.50 0.06 0.00 6.43 7.64 -1.26 -5.16 113.62 120.82 1wh2 n SER 6 Ca 0.10 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.34 1wh2 n SER 6 Cb 0.46 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1wh2 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh2 n GLY 7 N 0.04 0.47 3.22 0.23 0.00 -1.26 -4.99 105.19 102.89 1wh2 n GLY 7 Ca 0.00 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 1wh2 n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wh2 n VAL 8 N 0.11 4.02 -1.51 1.61 0.24 -1.26 -4.99 118.33 116.54 1wh2 n VAL 8 Ca 0.00 -4.12 -0.33 0.00 -2.04 0.00 0.00 64.34 57.86 1wh2 n VAL 8 Cb 0.00 -2.44 0.07 0.00 -1.47 0.00 0.00 33.84 30.01 1wh2 n VAL 8 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1wh2 s ARG 9 N 2.45 2.44 0.10 7.34 1.81 -1.26 -4.97 118.95 126.86 1wh2 s ARG 9 Ca 0.46 1.40 -0.36 0.00 -1.72 0.00 0.00 55.73 55.51 1wh2 s ARG 9 Cb 0.05 -1.90 -0.16 0.00 -0.45 0.00 0.00 34.95 32.48 1wh2 s ARG 9 CO 0.01 -1.53 1.32 0.28 -0.68 0.00 0.00 175.30 174.70 1wh2 n VAL 10 N -2.87 0.13 -3.75 3.52 0.31 -1.26 -4.99 118.33 109.42 1wh2 n VAL 10 Ca 0.11 -0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.28 1wh2 n VAL 10 Cb 0.52 -0.85 -0.13 0.00 -0.91 0.00 0.00 33.84 32.47 1wh2 n VAL 10 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1wh2 s LEU 11 N 0.52 0.66 0.03 7.52 0.05 -1.26 -5.16 118.68 121.03 1wh2 s LEU 11 Ca 0.83 0.44 0.02 0.00 0.05 0.00 0.00 54.13 55.47 1wh2 s LEU 11 Cb -0.93 0.63 -0.02 0.00 -2.05 0.00 0.00 46.19 43.82 1wh2 s LEU 11 CO 0.47 -0.14 -0.07 -0.44 -0.55 0.00 0.00 176.35 175.62 1wh2 s SER 12 N 1.01 0.76 0.27 1.48 0.01 -1.26 -5.13 113.70 110.83 1wh2 s SER 12 Ca -0.07 -0.41 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 1wh2 s SER 12 Cb -0.09 0.01 -0.11 0.00 0.21 0.00 0.00 66.02 66.04 1wh2 s SER 12 CO -0.06 -0.13 1.53 -0.31 0.41 0.00 0.00 173.24 174.68 1wh2 s TYR 13 N -1.01 2.88 -0.78 2.43 1.51 -1.26 -4.86 117.35 116.26 1wh2 s TYR 13 Ca -0.07 0.88 -0.26 0.00 -1.01 0.00 0.00 57.07 56.62 1wh2 s TYR 13 Cb -0.08 -3.95 0.04 0.00 -0.11 0.00 0.00 41.96 37.86 1wh2 s TYR 13 CO 0.00 -3.18 1.26 -0.51 -1.11 0.00 0.00 175.55 172.01 1wh2 s ASP 14 N 0.46 6.23 -0.05 2.29 1.11 -1.26 -4.77 116.67 120.68 1wh2 s ASP 14 Ca 0.62 -0.73 0.03 0.00 0.18 0.00 0.00 52.55 52.65 1wh2 s ASP 14 Cb -0.45 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 40.95 1wh2 s ASP 14 CO 0.45 -1.71 -0.01 2.29 1.18 0.00 0.00 175.17 177.37 1wh2 n LYS 15 N 8.99 1.88 0.00 8.23 2.85 -1.26 -3.47 118.16 135.39 1wh2 n LYS 15 Ca 0.07 0.01 0.10 0.00 -1.05 0.00 0.00 58.31 57.45 1wh2 n LYS 15 Cb 0.49 -1.12 -0.07 0.00 -0.65 0.00 0.00 35.03 33.68 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 -2.39 0.08 -4.43 -1.58 1.02 -1.26 -2.62 120.64 109.46 1wh2 n GLU 16 Ca -0.09 -0.02 -0.33 0.00 -0.02 0.00 0.00 57.16 56.70 1wh2 n GLU 16 Cb 0.63 -1.51 -0.10 0.00 -0.02 0.00 0.00 31.44 30.45 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 -3.06 2.72 -0.18 3.49 -2.85 -1.26 -4.95 119.74 113.65 1wh2 s LYS 17 Ca 0.07 -0.61 -0.29 0.00 -1.00 0.00 0.00 55.97 54.13 1wh2 s LYS 17 Cb 0.16 -2.61 -0.03 0.00 -2.06 0.00 0.00 37.83 33.29 1wh2 s LYS 17 CO 0.85 0.63 1.51 -0.51 0.10 0.00 0.00 175.35 177.93 1wh2 s LEU 18 N -1.27 4.05 0.00 2.77 2.01 -1.26 -4.16 118.68 120.82 1wh2 s LEU 18 Ca 0.16 1.73 0.00 0.00 0.01 0.00 0.00 54.13 56.03 1wh2 s LEU 18 Cb -0.11 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.55 1wh2 s LEU 18 CO 0.06 -1.05 0.26 -3.20 1.01 0.00 0.00 176.35 173.43 1wh2 n ASN 19 N 7.65 0.00 -4.11 2.29 5.15 -0.59 -4.73 115.26 120.92 1wh2 n ASN 19 Ca 0.17 -1.03 -0.26 0.00 -0.60 0.00 0.00 54.58 52.86 1wh2 n ASN 19 Cb 0.45 -0.01 -0.16 0.00 -0.53 0.00 0.00 39.78 39.53 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 0.00 1.70 0.04 1.20 0.52 -0.89 -1.38 118.94 120.13 1wh2 s TRP 20 Ca 0.00 -0.53 0.03 0.00 0.02 0.00 0.00 56.10 55.62 1wh2 s TRP 20 Cb 0.00 -1.16 -0.04 0.00 -1.15 0.00 0.00 33.47 31.12 1wh2 s TRP 20 CO 0.00 -0.21 -0.01 -0.51 0.02 0.00 0.00 176.95 176.25 1wh2 s LEU 21 N 0.19 3.45 0.00 2.99 1.43 0.41 -0.41 118.68 126.75 1wh2 s LEU 21 Ca -0.07 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1wh2 s LEU 21 Cb -0.13 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 1wh2 s LEU 21 CO 0.03 0.23 -0.02 -0.72 0.23 0.00 0.00 176.35 176.09 1wh2 s TYR 22 N -1.19 0.22 -0.21 0.29 -0.85 -1.25 -2.05 117.35 112.31 1wh2 s TYR 22 Ca 0.22 -0.13 -0.22 0.00 -0.52 0.00 0.00 57.07 56.43 1wh2 s TYR 22 Cb -0.12 -0.14 -0.02 0.00 0.38 0.00 0.00 41.96 42.06 1wh2 s TYR 22 CO 0.14 -0.03 0.68 0.21 -1.52 0.00 0.00 175.55 175.03 1wh2 s LYS 23 N -0.32 4.20 1.01 -3.49 2.20 -1.26 -2.32 119.74 119.76 1wh2 s LYS 23 Ca -0.02 0.69 -0.12 0.00 -0.36 0.00 0.00 55.97 56.16 1wh2 s LYS 23 Cb -0.03 -3.60 0.19 0.00 -1.51 0.00 0.00 37.83 32.89 1wh2 s LYS 23 CO -0.00 -0.32 1.08 0.16 -0.36 0.00 0.00 175.35 175.91 1wh2 s ASP 24 N 1.26 2.39 0.15 1.43 1.47 -0.03 -4.90 116.67 118.44 1wh2 s ASP 24 Ca 0.30 1.59 0.25 0.00 1.18 0.00 0.00 52.55 55.86 1wh2 s ASP 24 Cb -0.16 -2.25 0.92 0.00 -0.34 0.00 0.00 42.92 41.09 1wh2 s ASP 24 CO 0.10 -3.33 1.75 -0.81 0.68 0.00 0.00 175.17 173.56 1wh2 n PRO 25 N -4.35 0.15 0.26 2.11 -0.04 -1.26 -2.34 135.00 129.54 1wh2 n PRO 25 Ca 0.06 0.23 0.15 0.00 -0.04 0.00 0.00 63.50 63.90 1wh2 n PRO 25 Cb 0.55 -1.72 0.61 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.00 0.00 0.00 0.54 4.20 -2.04 -3.46 115.11 114.35 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 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1wh2 h GLN 26 CO 0.00 0.05 0.00 0.41 -0.67 0.00 0.00 178.83 178.62 1wh2 n GLY 27 N 0.11 1.02 3.83 3.46 0.00 -0.99 -5.12 105.19 107.51 1wh2 n GLY 27 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 4.34 -0.82 0.99 2.01 -1.25 -4.84 118.68 119.10 1wh2 s LEU 28 Ca 0.00 0.40 -0.26 0.00 0.01 0.00 0.00 54.13 54.28 1wh2 s LEU 28 Cb 0.00 -2.08 0.04 0.00 0.01 0.00 0.00 46.19 44.16 1wh2 s LEU 28 CO 0.00 0.34 1.34 -0.69 1.01 0.00 0.00 176.35 178.35 1wh2 s VAL 29 N -0.61 3.78 0.77 -1.59 1.01 -1.26 -0.85 120.40 121.64 1wh2 s VAL 29 Ca 0.13 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.07 1wh2 s VAL 29 Cb -0.12 -4.95 0.09 0.00 0.00 0.00 0.00 36.38 31.41 1wh2 s VAL 29 CO 0.02 -1.87 1.10 -1.10 0.00 0.00 0.00 175.10 173.24 1wh2 s GLN 30 N 5.52 1.84 1.16 2.72 -1.52 -0.98 -4.99 119.66 123.41 1wh2 s GLN 30 Ca 0.39 -0.30 0.00 0.00 -1.95 0.00 0.00 55.36 53.50 1wh2 s GLN 30 Cb -0.06 -2.09 0.00 0.00 -0.22 0.00 0.00 33.01 30.64 1wh2 s GLN 30 CO 0.07 -1.53 0.00 0.41 -0.25 0.00 0.00 175.29 174.00 1wh2 n GLY 31 N -3.13 -1.26 3.73 3.09 0.00 -1.26 -3.87 105.19 102.48 1wh2 n GLY 31 Ca 0.10 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 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 0.65 0.13 1.61 0.04 -1.26 -5.07 135.00 131.10 1wh2 s PRO 32 Ca 0.00 0.33 0.03 0.00 0.04 0.00 0.00 61.00 61.40 1wh2 s PRO 32 Cb 0.00 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 1wh2 s PRO 32 CO 0.00 -2.54 -0.07 -0.06 0.04 0.00 0.00 177.00 174.38 1wh2 s PHE 33 N -3.15 1.10 0.31 0.56 0.08 0.46 -4.76 117.98 112.57 1wh2 s PHE 33 Ca 0.65 -0.87 -0.20 0.00 0.12 0.00 0.00 56.93 56.63 1wh2 s PHE 33 Cb -0.16 -0.60 -0.09 0.00 -0.57 0.00 0.00 43.02 41.60 1wh2 s PHE 33 CO 0.55 -0.07 0.82 -1.54 -0.10 0.00 0.00 175.22 174.88 1wh2 s SER 34 N -3.12 7.01 0.40 1.36 1.04 -1.26 -1.54 113.70 117.59 1wh2 s SER 34 Ca 0.16 1.52 0.07 0.00 0.48 0.00 0.00 55.95 58.18 1wh2 s SER 34 Cb 0.04 -2.46 0.82 0.00 0.10 0.00 0.00 66.02 64.52 1wh2 s SER 34 CO -0.01 -0.13 2.03 -0.07 0.98 0.00 0.00 173.24 176.04 1wh2 h LEU 35 N 2.74 0.47 -0.80 2.42 3.38 -1.53 -0.56 115.31 121.43 1wh2 h LEU 35 Ca -0.48 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 1wh2 h LEU 35 Cb 1.18 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1wh2 h LEU 35 CO 0.64 0.37 -0.07 0.74 0.09 0.00 0.00 178.44 180.22 1wh2 h THR 36 N 0.54 1.26 -0.10 0.22 2.02 -1.86 0.10 112.91 115.09 1wh2 h THR 36 Ca 0.14 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 1wh2 h THR 36 Cb 0.00 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1wh2 h THR 36 CO -0.02 0.39 -0.04 1.56 0.37 0.00 0.00 175.52 177.77 1wh2 h GLN 37 N 0.76 0.21 -0.75 6.66 4.20 -1.66 -0.68 115.11 123.85 1wh2 h GLN 37 Ca 0.13 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.77 1wh2 h GLN 37 Cb 0.55 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.29 1wh2 h GLN 37 CO 0.03 0.56 0.49 -0.07 -0.67 0.00 0.00 178.83 179.17 1wh2 h LEU 38 N -0.14 0.83 0.72 1.46 3.38 -0.91 0.05 115.31 120.69 1wh2 h LEU 38 Ca 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1wh2 h LEU 38 Cb 0.49 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1wh2 h LEU 38 CO 0.01 0.59 -0.49 0.50 0.09 0.00 0.00 178.44 179.14 1wh2 h LYS 39 N 0.98 -1.11 -0.70 1.13 3.64 -0.80 -1.69 116.57 118.02 1wh2 h LYS 39 Ca 0.29 0.08 0.09 0.00 -1.27 0.00 0.00 60.65 59.84 1wh2 h LYS 39 Cb -0.05 0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 1wh2 h LYS 39 CO -0.08 -0.74 0.46 0.00 -2.27 0.00 0.00 179.45 176.82 1wh2 h ALA 40 N -1.05 1.86 -0.17 5.00 0.00 -0.32 0.24 119.26 124.82 1wh2 h ALA 40 Ca -0.09 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1wh2 h ALA 40 Cb 0.94 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1wh2 h ALA 40 CO 0.06 -0.00 -0.32 -1.49 0.00 0.00 0.00 179.25 177.50 1wh2 h TRP 41 N 0.59 0.66 -0.61 0.00 6.55 -1.03 -2.17 115.95 119.94 1wh2 h TRP 41 Ca 0.32 -0.23 0.08 0.00 0.95 0.00 0.00 58.89 60.01 1wh2 h TRP 41 Cb 0.46 -0.12 -0.07 0.00 -0.86 0.00 0.00 29.16 28.57 1wh2 h TRP 41 CO -0.00 0.96 0.27 0.77 -1.05 0.00 0.00 178.44 179.38 1wh2 h SER 42 N 0.17 0.31 0.14 -3.49 0.02 -0.14 0.43 113.55 110.99 1wh2 h SER 42 Ca 0.01 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1wh2 h SER 42 Cb 0.91 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1wh2 h SER 42 CO 0.07 0.19 0.00 -0.67 -1.14 0.00 0.00 176.83 175.28 1wh2 n ASP 43 N -4.94 0.00 -0.23 3.07 2.03 0.68 -1.58 116.55 115.59 1wh2 n ASP 43 Ca 0.08 -0.43 0.02 0.00 0.52 0.00 0.00 54.79 54.98 1wh2 n ASP 43 Cb 0.25 -0.10 0.05 0.00 -0.72 0.00 0.00 41.12 40.60 1wh2 n ASP 43 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wh2 n ALA 44 N -1.10 2.13 -3.54 -1.67 0.00 -0.81 -5.01 120.51 110.51 1wh2 n ALA 44 Ca 0.14 -0.98 -0.25 0.00 0.00 0.00 0.00 53.44 52.35 1wh2 n ALA 44 Cb 0.10 -0.16 0.05 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.07 -6.60 0.13 0.00 1.02 -0.61 -4.92 120.64 109.59 1wh2 n GLU 45 Ca 0.04 0.78 -0.01 0.00 -0.02 0.00 0.00 57.16 57.95 1wh2 n GLU 45 Cb 0.28 -5.75 0.14 0.00 -0.02 0.00 0.00 31.44 26.10 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 -2.22 0.00 -2.84 -0.32 -1.99 -1.13 -3.48 116.97 104.99 1wh2 h TYR 46 Ca -0.56 0.00 -0.46 0.00 2.00 0.00 0.00 58.73 59.71 1wh2 h TYR 46 Cb 1.37 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.96 1wh2 h TYR 46 CO 0.53 0.64 -0.65 -0.06 -0.00 0.00 0.00 178.16 178.62 1wh2 s PHE 47 N -3.43 1.88 0.36 4.88 0.08 -1.26 -4.99 117.98 115.51 1wh2 s PHE 47 Ca -0.00 -0.83 0.07 0.00 0.12 0.00 0.00 56.93 56.28 1wh2 s PHE 47 Cb 0.12 -1.14 -0.01 0.00 -0.57 0.00 0.00 43.02 41.42 1wh2 s PHE 47 CO 0.76 0.12 0.43 0.95 -0.10 0.00 0.00 175.22 177.38 1wh2 s THR 48 N -3.19 3.53 -0.90 0.64 -4.23 -1.26 -4.88 115.64 105.35 1wh2 s THR 48 Ca 0.32 -1.14 0.28 0.00 -1.18 0.00 0.00 61.69 59.97 1wh2 s THR 48 Cb 0.06 -3.21 0.26 0.00 1.34 0.00 0.00 72.50 70.94 1wh2 s THR 48 CO 0.12 -0.11 1.87 0.29 -0.54 0.00 0.00 174.62 176.26 1wh2 n LYS 49 N -1.60 0.10 -1.04 3.99 4.01 -1.26 -2.39 118.16 119.96 1wh2 n LYS 49 Ca 0.02 0.08 -0.09 0.00 -0.51 0.00 0.00 58.31 57.81 1wh2 n LYS 49 Cb 0.59 -1.61 0.28 0.00 -0.51 0.00 0.00 35.03 33.78 1wh2 n LYS 49 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1wh2 n GLN 50 N -1.78 3.48 -2.15 1.97 7.27 -1.26 -4.85 117.38 120.06 1wh2 n GLN 50 Ca 0.06 -3.00 -0.39 0.00 0.07 0.00 0.00 57.00 53.74 1wh2 n GLN 50 Cb 0.37 -2.20 -0.03 0.00 2.41 0.00 0.00 30.24 30.79 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 -2.97 1.80 0.50 3.69 5.36 -1.00 -4.99 117.98 120.37 1wh2 s PHE 51 Ca 0.54 0.61 -0.09 0.00 -0.96 0.00 0.00 56.93 57.04 1wh2 s PHE 51 Cb 0.44 -4.21 -0.05 0.00 -0.34 0.00 0.00 43.02 38.87 1wh2 s PHE 51 CO 0.13 -2.27 0.86 1.03 -1.46 0.00 0.00 175.22 173.51 1wh2 s ARG 52 N 6.71 3.64 0.13 10.12 3.00 -1.26 -1.39 118.95 139.89 1wh2 s ARG 52 Ca 0.61 0.45 -0.04 0.00 0.00 0.00 0.00 55.73 56.75 1wh2 s ARG 52 Cb -0.12 -2.29 -0.03 0.00 0.00 0.00 0.00 34.95 32.51 1wh2 s ARG 52 CO 0.20 -0.26 0.11 0.14 0.00 0.00 0.00 175.30 175.49 1wh2 s VAL 53 N -2.76 0.11 0.16 3.52 -7.23 -0.09 -4.79 120.40 109.31 1wh2 s VAL 53 Ca 0.51 -1.71 0.03 0.00 -1.81 0.00 0.00 61.98 59.00 1wh2 s VAL 53 Cb -0.10 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.92 1wh2 s VAL 53 CO 0.43 -0.50 -0.04 -1.66 -0.31 0.00 0.00 175.10 173.01 1wh2 s TRP 54 N -4.00 1.20 0.62 2.82 -2.14 -0.87 -0.66 118.94 115.91 1wh2 s TRP 54 Ca 0.19 -0.90 -0.15 0.00 2.66 0.00 0.00 56.10 57.89 1wh2 s TRP 54 Cb 0.06 -0.67 -0.02 0.00 -3.10 0.00 0.00 33.47 29.74 1wh2 s TRP 54 CO -0.01 -0.09 1.07 -1.64 -2.66 0.00 0.00 176.95 173.62 1wh2 s MET 55 N -3.84 3.16 0.29 3.25 -1.94 -1.26 -0.44 119.30 118.51 1wh2 s MET 55 Ca 0.20 1.24 -0.30 0.00 -1.71 0.00 0.00 55.69 55.12 1wh2 s MET 55 Cb 0.05 -2.01 -0.11 0.00 2.01 0.00 0.00 34.83 34.77 1wh2 s MET 55 CO 0.02 -0.95 1.54 0.95 -0.01 0.00 0.00 175.02 176.57 1wh2 s THR 56 N -2.46 2.24 0.00 2.05 -4.23 -0.48 -2.25 115.64 110.51 1wh2 s THR 56 Ca 0.64 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.35 1wh2 s THR 56 Cb -0.17 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.54 1wh2 s THR 56 CO 0.39 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 1wh2 n GLY 57 N 2.00 2.27 3.95 3.99 0.00 -1.26 -5.01 105.19 111.13 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 -0.03 2.26 0.37 1.61 0.41 -0.95 -5.08 118.70 117.29 1wh2 s GLU 58 Ca 0.00 -0.56 -0.25 0.00 -0.41 0.00 0.00 54.97 53.75 1wh2 s GLU 58 Cb 0.00 -2.31 -0.09 0.00 -1.78 0.00 0.00 34.13 29.95 1wh2 s GLU 58 CO 0.00 -1.06 1.06 0.45 -0.49 0.00 0.00 175.26 175.22 1wh2 s SER 59 N -4.51 6.86 0.31 -0.19 0.15 -1.26 -4.86 113.70 110.21 1wh2 s SER 59 Ca 0.60 2.09 0.01 0.00 0.70 0.00 0.00 55.95 59.35 1wh2 s SER 59 Cb -0.10 -2.59 0.52 0.00 -1.71 0.00 0.00 66.02 62.14 1wh2 s SER 59 CO 0.42 -0.42 1.89 -0.03 1.20 0.00 0.00 173.24 176.30 1wh2 h MET 60 N 2.78 0.75 0.00 5.44 4.05 -1.98 -1.91 114.93 124.06 1wh2 h MET 60 Ca -0.48 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 58.82 1wh2 h MET 60 Cb 1.21 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.89 1wh2 h MET 60 CO 0.63 0.64 0.00 0.39 0.23 0.00 0.00 176.91 178.80 1wh2 n GLU 61 N -4.32 0.17 -1.04 0.39 1.02 -1.26 -1.47 120.64 114.12 1wh2 n GLU 61 Ca 0.04 0.54 -0.10 0.00 -0.02 0.00 0.00 57.16 57.62 1wh2 n GLU 61 Cb 0.18 -1.94 0.26 0.00 -0.02 0.00 0.00 31.44 29.93 1wh2 n GLU 61 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wh2 n SER 62 N -2.28 4.35 -4.46 1.62 2.88 -0.72 -5.00 113.62 110.02 1wh2 n SER 62 Ca 0.00 -3.36 -0.28 0.00 -1.33 0.00 0.00 58.87 53.90 1wh2 n SER 62 Cb 0.13 -0.76 0.27 0.00 -0.75 0.00 0.00 64.21 63.10 1wh2 n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wh2 s ALA 63 N -3.09 -0.77 0.15 -1.46 0.00 -0.54 -4.79 121.76 111.24 1wh2 s ALA 63 Ca 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1wh2 s ALA 63 Cb 0.45 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 1wh2 s ALA 63 CO 0.12 -4.05 0.03 0.14 0.00 0.00 0.00 175.76 171.99 1wh2 s VAL 64 N -2.39 0.38 0.12 0.00 -7.23 0.16 -4.96 120.40 106.48 1wh2 s VAL 64 Ca 0.69 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 1wh2 s VAL 64 Cb -0.26 -2.05 -0.06 0.00 0.56 0.00 0.00 36.38 34.57 1wh2 s VAL 64 CO 0.66 -0.50 1.12 -0.76 -0.31 0.00 0.00 175.10 175.30 1wh2 s LEU 65 N -3.10 4.44 0.44 1.32 1.43 -1.26 -0.92 118.68 121.03 1wh2 s LEU 65 Ca 0.23 2.01 0.18 0.00 -1.03 0.00 0.00 54.13 55.52 1wh2 s LEU 65 Cb 0.07 -3.59 1.11 0.00 0.03 0.00 0.00 46.19 43.81 1wh2 s LEU 65 CO 0.02 -0.30 1.91 0.25 0.23 0.00 0.00 176.35 178.46 1wh2 h LEU 66 N 5.85 0.34 -0.84 1.79 5.85 -1.55 -2.07 115.31 124.69 1wh2 h LEU 66 Ca -0.43 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.20 1wh2 h LEU 66 Cb 1.21 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1wh2 h LEU 66 CO 0.76 0.16 -0.54 0.71 -0.34 0.00 0.00 178.44 179.19 1wh2 h THR 67 N 0.36 1.29 0.23 1.05 1.35 -1.89 0.64 112.91 115.94 1wh2 h THR 67 Ca 0.39 -1.91 -0.01 0.00 -0.55 0.00 0.00 66.41 64.32 1wh2 h THR 67 Cb 0.98 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 1wh2 h THR 67 CO -0.12 0.53 -0.11 0.44 -0.25 0.00 0.00 175.52 176.01 1wh2 h ASP 68 N 0.00 -0.27 -0.28 5.36 3.32 -1.78 -2.05 116.42 120.73 1wh2 h ASP 68 Ca -0.01 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 1wh2 h ASP 68 Cb 1.01 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1wh2 h ASP 68 CO 0.07 0.01 0.08 0.58 -1.72 0.00 0.00 179.24 178.26 1wh2 h VAL 69 N -0.55 1.17 -0.52 -1.35 2.07 -1.21 0.22 116.25 116.08 1wh2 h VAL 69 Ca -0.03 -0.61 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 1wh2 h VAL 69 Cb 0.41 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1wh2 h VAL 69 CO 0.05 0.22 -0.08 -0.07 0.02 0.00 0.00 177.57 177.71 1wh2 h LEU 70 N 0.52 0.94 -1.32 2.57 4.07 -0.88 0.33 115.31 121.53 1wh2 h LEU 70 Ca 0.12 -0.29 -0.05 0.00 0.08 0.00 0.00 57.88 57.75 1wh2 h LEU 70 Cb 0.22 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 1wh2 h LEU 70 CO -0.00 1.04 -0.04 -0.09 -1.08 0.00 0.00 178.44 178.27 1wh2 h ARG 71 N 0.85 0.41 0.05 1.13 2.43 -0.47 -3.32 114.38 115.47 1wh2 h ARG 71 Ca 0.14 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1wh2 h ARG 71 Cb 0.61 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1wh2 h ARG 71 CO 0.04 0.47 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.88 1wh2 h LEU 72 N 0.40 -0.06 -4.31 3.80 3.38 -0.48 -3.39 115.31 114.65 1wh2 h LEU 72 Ca 0.09 -0.51 -0.61 0.00 0.09 0.00 0.00 57.88 56.93 1wh2 h LEU 72 Cb 0.33 0.01 -0.24 0.00 0.09 0.00 0.00 40.66 40.85 1wh2 h LEU 72 CO 0.01 0.66 0.77 -0.24 0.09 0.00 0.00 178.44 179.73 1wh2 n SER 73 N -4.76 7.23 -4.91 -0.43 2.88 0.06 -4.95 113.62 108.73 1wh2 n SER 73 Ca -0.06 -3.58 -0.28 0.00 -1.33 0.00 0.00 58.87 53.62 1wh2 n SER 73 Cb 0.27 -1.07 0.08 0.00 -0.75 0.00 0.00 64.21 62.75 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 -0.87 1.63 0.00 0.46 0.00 -1.26 -5.00 107.32 102.29 1wh2 s GLY 74 Ca 0.54 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.50 1wh2 s GLY 74 CO -0.17 -0.32 0.00 -1.55 0.00 0.00 0.00 173.10 171.06 1wh2 n PRO 75 N -3.13 -0.26 -2.37 2.90 -0.04 -1.26 -4.96 135.00 125.88 1wh2 n PRO 75 Ca 0.08 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.13 1wh2 n PRO 75 Cb 0.61 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.04 1wh2 n PRO 75 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wh2 s SER 76 N -1.33 6.00 0.31 3.54 1.04 -1.26 -4.85 113.70 117.14 1wh2 s SER 76 Ca 0.00 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1wh2 s SER 76 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1wh2 s SER 76 CO 0.00 -1.84 0.00 -1.20 0.98 0.00 0.00 173.24 171.18 1wh2 n SER 77 N 10.01 -3.92 0.00 7.02 7.64 -1.26 -5.34 113.62 127.77 1wh2 n SER 77 Ca 0.12 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.76 1wh2 n SER 77 Cb 0.50 -2.37 0.00 0.00 -1.01 0.00 0.00 64.21 61.32 1wh2 n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64