#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 0.00 -3.65 1.61 2.88 -1.26 -4.27 113.62 108.93 1wh2 n SER 2 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1wh2 n SER 2 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 1wh2 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wh2 s SER 3 N -4.00 1.18 0.00 -3.46 0.01 -1.26 -5.12 113.70 101.05 1wh2 s SER 3 Ca 0.00 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1wh2 s SER 3 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1wh2 s SER 3 CO 0.00 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.99 1wh2 n GLY 4 N 5.31 2.95 3.58 3.44 0.00 -1.26 -4.91 105.19 114.30 1wh2 n GLY 4 Ca -0.04 -1.98 -0.39 0.00 0.00 0.00 0.00 46.02 43.61 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 6.29 0.02 1.61 0.15 -1.26 -4.77 113.70 115.74 1wh2 s SER 5 Ca 0.00 -2.17 -0.09 0.00 0.70 0.00 0.00 55.95 54.39 1wh2 s SER 5 Cb 0.00 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.73 1wh2 s SER 5 CO 0.00 -1.74 0.19 -0.44 1.20 0.00 0.00 173.24 172.45 1wh2 s SER 6 N 4.94 0.00 0.90 5.45 0.01 -1.26 -5.03 113.70 118.72 1wh2 s SER 6 Ca 0.58 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.59 1wh2 s SER 6 Cb 0.02 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1wh2 s SER 6 CO 0.09 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1wh2 n GLY 7 N 1.04 0.61 0.00 3.44 0.00 -1.26 -1.75 105.19 107.26 1wh2 n GLY 7 Ca -0.21 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 0.00 -1.18 1.61 0.24 -1.26 -4.95 118.33 112.79 1wh2 n VAL 8 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 1wh2 n VAL 8 Cb 0.00 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.45 1wh2 n VAL 8 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1wh2 n ARG 9 N 0.00 0.20 -4.27 7.34 3.00 -1.26 -5.03 116.66 116.64 1wh2 n ARG 9 Ca 0.00 0.11 -0.25 0.00 -0.01 0.00 0.00 57.85 57.70 1wh2 n ARG 9 Cb 0.00 -1.86 -0.08 0.00 0.00 0.00 0.00 32.46 30.52 1wh2 n ARG 9 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1wh2 s VAL 10 N -2.00 3.44 -0.56 1.55 1.01 -1.26 -5.09 120.40 117.50 1wh2 s VAL 10 Ca 0.64 -1.72 0.04 0.00 0.00 0.00 0.00 61.98 60.94 1wh2 s VAL 10 Cb -0.32 -2.78 0.14 0.00 0.00 0.00 0.00 36.38 33.42 1wh2 s VAL 10 CO 0.59 -0.24 0.32 -0.76 0.00 0.00 0.00 175.10 175.02 1wh2 s LEU 11 N -3.26 4.34 -0.15 3.92 1.43 -1.26 -5.02 118.68 118.69 1wh2 s LEU 11 Ca 0.29 -3.22 -0.03 0.00 -1.03 0.00 0.00 54.13 50.14 1wh2 s LEU 11 Cb -0.08 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.59 1wh2 s LEU 11 CO 0.18 -0.19 0.04 -0.55 0.23 0.00 0.00 176.35 176.06 1wh2 s SER 12 N -0.56 2.31 -0.61 2.29 0.15 -1.26 -5.09 113.70 110.92 1wh2 s SER 12 Ca 0.19 -0.52 -0.27 0.00 0.70 0.00 0.00 55.95 56.05 1wh2 s SER 12 Cb -0.20 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.67 1wh2 s SER 12 CO -0.04 -0.28 1.55 -0.31 1.20 0.00 0.00 173.24 175.35 1wh2 s TYR 13 N 1.97 2.06 -0.55 3.44 1.51 -1.26 -4.89 117.35 119.63 1wh2 s TYR 13 Ca 0.02 0.45 -0.26 0.00 -1.01 0.00 0.00 57.07 56.27 1wh2 s TYR 13 Cb -0.15 -4.34 -0.06 0.00 -0.11 0.00 0.00 41.96 37.29 1wh2 s TYR 13 CO -0.07 -2.16 2.28 -0.51 -1.11 0.00 0.00 175.55 173.98 1wh2 s ASP 14 N 5.53 4.58 0.19 2.29 1.01 -1.26 -4.79 116.67 124.22 1wh2 s ASP 14 Ca 0.54 0.80 0.21 0.00 0.71 0.00 0.00 52.55 54.81 1wh2 s ASP 14 Cb -0.11 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 1wh2 s ASP 14 CO 0.22 -2.85 1.04 0.07 0.21 0.00 0.00 175.17 173.85 1wh2 h LYS 15 N 17.92 0.00 0.00 8.23 2.10 -1.97 -3.33 116.57 139.53 1wh2 h LYS 15 Ca -0.22 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.19 1wh2 h LYS 15 Cb 1.22 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.51 1wh2 h LYS 15 CO 1.16 0.09 -1.58 -0.85 -2.00 0.00 0.00 179.45 176.27 1wh2 n GLU 16 N -2.77 0.55 -1.78 0.07 0.28 -1.26 -3.14 120.64 112.59 1wh2 n GLU 16 Ca -0.02 0.38 -0.31 0.00 -0.16 0.00 0.00 57.16 57.05 1wh2 n GLU 16 Cb 0.63 -1.58 0.02 0.00 1.43 0.00 0.00 31.44 31.94 1wh2 n GLU 16 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1wh2 s LYS 17 N -2.51 3.38 -0.40 3.44 -2.85 -1.26 -4.79 119.74 114.76 1wh2 s LYS 17 Ca -0.31 0.82 -0.28 0.00 -1.00 0.00 0.00 55.97 55.20 1wh2 s LYS 17 Cb 0.08 -2.05 -0.00 0.00 -2.06 0.00 0.00 37.83 33.80 1wh2 s LYS 17 CO 0.46 -0.74 1.59 -0.51 0.10 0.00 0.00 175.35 176.25 1wh2 s LEU 18 N -5.29 3.53 0.00 2.77 2.01 -1.26 -4.08 118.68 116.36 1wh2 s LEU 18 Ca 0.56 0.97 0.00 0.00 0.01 0.00 0.00 54.13 55.67 1wh2 s LEU 18 Cb -0.12 -3.46 0.00 0.00 0.01 0.00 0.00 46.19 42.62 1wh2 s LEU 18 CO 0.54 -1.60 0.29 -3.20 1.01 0.00 0.00 176.35 173.38 1wh2 n ASN 19 N 9.63 0.00 -3.94 2.29 5.15 -0.27 -4.72 115.26 123.40 1wh2 n ASN 19 Ca 0.19 -1.00 -0.28 0.00 -0.60 0.00 0.00 54.58 52.89 1wh2 n ASN 19 Cb 0.48 0.00 -0.17 0.00 -0.53 0.00 0.00 39.78 39.56 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 1.67 0.47 1.20 0.52 -0.55 -2.04 118.94 120.21 1wh2 s TRP 20 Ca 0.00 -0.86 -0.02 0.00 0.02 0.00 0.00 56.10 55.24 1wh2 s TRP 20 Cb 0.00 -1.32 -0.01 0.00 -1.15 0.00 0.00 33.47 30.99 1wh2 s TRP 20 CO 0.00 -0.54 0.73 -0.51 0.02 0.00 0.00 176.95 176.65 1wh2 s LEU 21 N 1.58 3.60 0.14 2.99 1.43 0.74 -0.53 118.68 128.62 1wh2 s LEU 21 Ca 0.04 0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 53.58 1wh2 s LEU 21 Cb -0.13 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.67 1wh2 s LEU 21 CO -0.08 -0.70 0.27 -0.72 0.23 0.00 0.00 176.35 175.35 1wh2 s TYR 22 N -2.66 0.22 -0.15 0.29 -0.85 -1.08 -2.22 117.35 110.90 1wh2 s TYR 22 Ca 0.48 -0.61 -0.07 0.00 -0.52 0.00 0.00 57.07 56.36 1wh2 s TYR 22 Cb -0.10 -0.00 -0.04 0.00 0.38 0.00 0.00 41.96 42.20 1wh2 s TYR 22 CO 0.41 -0.67 0.09 0.21 -1.52 0.00 0.00 175.55 174.07 1wh2 s LYS 23 N -3.91 3.72 0.67 -3.49 2.20 -1.26 -0.53 119.74 117.14 1wh2 s LYS 23 Ca 0.11 -0.27 -0.01 0.00 -0.36 0.00 0.00 55.97 55.44 1wh2 s LYS 23 Cb 0.03 -3.18 0.09 0.00 -1.51 0.00 0.00 37.83 33.26 1wh2 s LYS 23 CO -0.05 0.48 0.93 0.16 -0.36 0.00 0.00 175.35 176.51 1wh2 s ASP 24 N -0.21 4.69 0.00 1.43 -4.77 0.08 -4.95 116.67 112.93 1wh2 s ASP 24 Ca 0.09 -0.14 0.25 0.00 -3.30 0.00 0.00 52.55 49.45 1wh2 s ASP 24 Cb -0.12 -0.43 1.22 0.00 -1.09 0.00 0.00 42.92 42.50 1wh2 s ASP 24 CO 0.01 -1.61 1.85 -0.81 0.70 0.00 0.00 175.17 175.31 1wh2 n PRO 25 N -2.70 0.24 0.05 2.11 -0.04 -1.26 -1.49 135.00 131.91 1wh2 n PRO 25 Ca 0.12 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 1wh2 n PRO 25 Cb 0.60 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.83 1wh2 n PRO 25 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wh2 n GLN 26 N -1.36 0.21 -0.55 0.54 3.00 -1.26 -4.97 117.38 112.98 1wh2 n GLN 26 Ca 0.10 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1wh2 n GLN 26 Cb 0.24 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 28.82 1wh2 n GLN 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wh2 n GLY 27 N 1.38 0.72 3.75 1.08 0.00 -0.56 -5.07 105.19 106.50 1wh2 n GLY 27 Ca 0.04 0.00 -0.41 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 4.51 0.41 0.99 2.01 -1.26 -4.75 118.68 120.59 1wh2 s LEU 28 Ca 0.00 2.22 -0.24 0.00 0.01 0.00 0.00 54.13 56.11 1wh2 s LEU 28 Cb 0.00 -3.62 -0.08 0.00 0.01 0.00 0.00 46.19 42.50 1wh2 s LEU 28 CO 0.00 -0.22 1.13 -0.69 1.01 0.00 0.00 176.35 177.58 1wh2 s VAL 29 N -0.67 3.33 0.16 -1.59 1.01 -1.26 -0.74 120.40 120.64 1wh2 s VAL 29 Ca 0.48 1.06 0.06 0.00 0.00 0.00 0.00 61.98 63.57 1wh2 s VAL 29 Cb -0.31 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1wh2 s VAL 29 CO 0.39 0.05 -0.12 -1.10 0.00 0.00 0.00 175.10 174.32 1wh2 s GLN 30 N -2.43 1.14 0.14 2.72 -1.52 0.31 -4.92 119.66 115.10 1wh2 s GLN 30 Ca 0.58 -1.49 0.00 0.00 -1.95 0.00 0.00 55.36 52.51 1wh2 s GLN 30 Cb -0.27 -0.78 0.00 0.00 -0.22 0.00 0.00 33.01 31.73 1wh2 s GLN 30 CO 0.34 0.11 0.00 0.41 -0.25 0.00 0.00 175.29 175.90 1wh2 n GLY 31 N -0.23 -1.67 3.78 3.09 0.00 -1.26 -2.64 105.19 106.27 1wh2 n GLY 31 Ca -0.10 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 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 0.19 1.61 0.04 -1.26 -5.02 135.00 131.66 1wh2 s PRO 32 Ca 0.00 0.30 0.02 0.00 0.04 0.00 0.00 61.00 61.36 1wh2 s PRO 32 Cb 0.00 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 1wh2 s PRO 32 CO 0.00 -2.23 0.01 -0.06 0.04 0.00 0.00 177.00 174.76 1wh2 s PHE 33 N -3.26 1.32 0.20 0.56 0.08 0.31 -4.79 117.98 112.40 1wh2 s PHE 33 Ca 0.64 -1.02 -0.00 0.00 0.12 0.00 0.00 56.93 56.67 1wh2 s PHE 33 Cb -0.15 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 1wh2 s PHE 33 CO 0.54 -0.19 0.38 -1.54 -0.10 0.00 0.00 175.22 174.30 1wh2 s SER 34 N -3.22 6.37 0.49 1.36 1.04 -1.26 -1.11 113.70 117.38 1wh2 s SER 34 Ca 0.27 0.36 0.25 0.00 0.48 0.00 0.00 55.95 57.31 1wh2 s SER 34 Cb 0.06 -1.99 1.29 0.00 0.10 0.00 0.00 66.02 65.48 1wh2 s SER 34 CO 0.06 -0.04 2.01 -0.07 0.98 0.00 0.00 173.24 176.18 1wh2 h LEU 35 N 1.95 0.00 0.08 2.42 3.38 -1.65 -0.31 115.31 121.18 1wh2 h LEU 35 Ca -0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 1wh2 h LEU 35 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1wh2 h LEU 35 CO 0.68 0.16 -0.04 0.74 0.09 0.00 0.00 178.44 180.06 1wh2 h THR 36 N 0.00 1.11 -0.29 0.22 2.02 -1.89 -0.37 112.91 113.72 1wh2 h THR 36 Ca -0.00 -0.75 0.04 0.00 0.77 0.00 0.00 66.41 66.47 1wh2 h THR 36 Cb 0.43 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.40 1wh2 h THR 36 CO 0.02 0.18 0.05 1.56 0.37 0.00 0.00 175.52 177.70 1wh2 h GLN 37 N -0.46 0.15 -0.66 6.66 4.20 -1.73 -1.70 115.11 121.57 1wh2 h GLN 37 Ca -0.01 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1wh2 h GLN 37 Cb 0.39 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1wh2 h GLN 37 CO 0.02 0.10 0.17 -0.07 -0.67 0.00 0.00 178.83 178.38 1wh2 h LEU 38 N 0.15 0.99 -0.05 1.46 3.38 -1.07 -1.77 115.31 118.40 1wh2 h LEU 38 Ca 0.13 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1wh2 h LEU 38 Cb 0.14 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1wh2 h LEU 38 CO -0.18 0.96 0.04 0.50 0.09 0.00 0.00 178.44 179.85 1wh2 h LYS 39 N 0.97 0.07 -0.57 1.13 3.64 -0.81 -0.18 116.57 120.82 1wh2 h LYS 39 Ca 0.21 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.65 1wh2 h LYS 39 Cb 0.35 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 1wh2 h LYS 39 CO 0.00 0.05 0.26 0.00 -2.27 0.00 0.00 179.45 177.49 1wh2 h ALA 40 N 1.02 0.73 -0.05 5.00 0.00 -0.91 0.02 119.26 125.07 1wh2 h ALA 40 Ca 0.02 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1wh2 h ALA 40 Cb -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1wh2 h ALA 40 CO -0.00 -0.11 -0.53 -1.49 0.00 0.00 0.00 179.25 177.11 1wh2 h TRP 41 N 0.49 0.18 -0.72 0.00 6.55 -1.22 0.61 115.95 121.83 1wh2 h TRP 41 Ca 0.27 -0.06 -0.04 0.00 0.95 0.00 0.00 58.89 60.01 1wh2 h TRP 41 Cb 0.24 -0.04 -0.03 0.00 -0.86 0.00 0.00 29.16 28.47 1wh2 h TRP 41 CO -0.12 0.65 0.31 1.03 -1.05 0.00 0.00 178.44 179.25 1wh2 h SER 42 N 0.12 0.97 0.08 -3.49 0.87 -0.03 0.58 113.55 112.65 1wh2 h SER 42 Ca 0.00 -0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.31 1wh2 h SER 42 Cb 0.98 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.70 1wh2 h SER 42 CO 0.08 0.85 -0.52 -0.78 -0.53 0.00 0.00 176.83 175.92 1wh2 h ASP 43 N 1.04 0.32 0.00 6.23 3.58 -0.66 -3.14 116.42 123.80 1wh2 h ASP 43 Ca 0.25 -0.93 0.00 0.00 0.42 0.00 0.00 57.03 56.76 1wh2 h ASP 43 Cb 0.17 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1wh2 h ASP 43 CO -0.02 1.23 0.00 0.00 -2.88 0.00 0.00 179.24 177.57 1wh2 n ALA 44 N -2.63 2.19 -3.75 -0.78 0.00 0.17 -4.90 120.51 110.81 1wh2 n ALA 44 Ca -0.12 -0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.03 1wh2 n ALA 44 Cb 0.69 -1.09 0.04 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.64 -5.83 0.08 0.00 1.02 -0.67 -4.89 120.64 109.70 1wh2 n GLU 45 Ca 0.04 0.67 0.13 0.00 -0.02 0.00 0.00 57.16 57.98 1wh2 n GLU 45 Cb 0.02 -5.49 0.47 0.00 -0.02 0.00 0.00 31.44 26.42 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 -4.56 0.65 -2.72 -0.32 4.02 0.11 -4.93 117.16 109.41 1wh2 n TYR 46 Ca -0.11 0.20 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 1wh2 n TYR 46 Cb 0.59 -0.82 0.00 0.00 -0.02 0.00 0.00 39.34 39.10 1wh2 n TYR 46 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1wh2 n PHE 47 N -2.03 0.00 -4.38 -0.72 3.72 -1.24 -5.03 117.46 107.77 1wh2 n PHE 47 Ca 0.06 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.26 1wh2 n PHE 47 Cb 0.38 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.82 1wh2 n PHE 47 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1wh2 s THR 48 N 1.28 1.90 -2.00 4.37 -4.23 -1.26 -5.02 115.64 110.68 1wh2 s THR 48 Ca 0.00 -2.25 0.11 0.00 -1.18 0.00 0.00 61.69 58.37 1wh2 s THR 48 Cb 0.00 -2.13 0.30 0.00 1.34 0.00 0.00 72.50 72.02 1wh2 s THR 48 CO 0.00 -0.54 1.06 1.17 -0.54 0.00 0.00 174.62 175.77 1wh2 n LYS 49 N -0.45 0.43 -1.49 3.99 4.81 -1.26 -2.54 118.16 121.66 1wh2 n LYS 49 Ca -0.07 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.40 1wh2 n LYS 49 Cb 0.60 -1.38 0.06 0.00 0.02 0.00 0.00 35.03 34.33 1wh2 n LYS 49 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1wh2 n GLN 50 N -0.88 0.53 -2.52 1.64 6.02 -1.26 -5.06 117.38 115.84 1wh2 n GLN 50 Ca 0.08 -2.42 -0.41 0.00 -0.01 0.00 0.00 57.00 54.23 1wh2 n GLN 50 Cb 0.04 -0.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.78 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 -1.01 2.36 0.61 1.08 5.36 -1.05 -5.00 117.98 120.33 1wh2 s PHE 51 Ca 0.34 0.21 -0.06 0.00 -0.96 0.00 0.00 56.93 56.47 1wh2 s PHE 51 Cb 0.38 -4.54 0.02 0.00 -0.34 0.00 0.00 43.02 38.54 1wh2 s PHE 51 CO -0.14 -1.91 0.91 1.03 -1.46 0.00 0.00 175.22 173.66 1wh2 s ARG 52 N 5.50 2.77 0.04 10.12 3.00 -1.26 -1.04 118.95 138.08 1wh2 s ARG 52 Ca 0.41 -0.10 -0.04 0.00 0.00 0.00 0.00 55.73 56.00 1wh2 s ARG 52 Cb -0.08 -2.27 -0.01 0.00 0.00 0.00 0.00 34.95 32.58 1wh2 s ARG 52 CO 0.20 -0.79 0.07 0.14 0.00 0.00 0.00 175.30 174.92 1wh2 s VAL 53 N -3.02 0.14 0.09 3.52 -7.23 -0.01 -4.70 120.40 109.19 1wh2 s VAL 53 Ca 0.55 -1.14 0.03 0.00 -1.81 0.00 0.00 61.98 59.61 1wh2 s VAL 53 Cb -0.11 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 1wh2 s VAL 53 CO 0.45 -0.63 -0.09 -1.66 -0.31 0.00 0.00 175.10 172.86 1wh2 s TRP 54 N -2.61 0.94 0.70 2.82 -2.14 -0.94 -0.95 118.94 116.76 1wh2 s TRP 54 Ca -0.05 -0.71 -0.12 0.00 2.66 0.00 0.00 56.10 57.89 1wh2 s TRP 54 Cb -0.01 -0.53 0.01 0.00 -3.10 0.00 0.00 33.47 29.84 1wh2 s TRP 54 CO -0.05 -0.06 1.07 -1.64 -2.66 0.00 0.00 176.95 173.62 1wh2 s MET 55 N -2.90 2.80 -0.50 3.25 -1.94 -1.26 -0.19 119.30 118.56 1wh2 s MET 55 Ca 0.05 1.07 -0.26 0.00 -1.71 0.00 0.00 55.69 54.84 1wh2 s MET 55 Cb -0.02 -1.97 -0.05 0.00 2.01 0.00 0.00 34.83 34.80 1wh2 s MET 55 CO -0.01 -1.22 2.21 0.95 -0.01 0.00 0.00 175.02 176.94 1wh2 s THR 56 N -2.88 3.13 0.00 2.05 -4.23 -0.87 -1.22 115.64 111.61 1wh2 s THR 56 Ca 0.60 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1wh2 s THR 56 Cb -0.15 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.38 1wh2 s THR 56 CO 0.52 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 1wh2 n GLY 57 N 5.87 0.86 3.98 3.99 0.00 -1.26 -5.10 105.19 113.54 1wh2 n GLY 57 Ca 0.31 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.65 2.53 0.36 1.61 2.02 -0.36 -5.10 118.70 119.11 1wh2 s GLU 58 Ca 0.00 -0.91 -0.26 0.00 0.02 0.00 0.00 54.97 53.83 1wh2 s GLU 58 Cb 0.00 -2.53 -0.09 0.00 0.10 0.00 0.00 34.13 31.61 1wh2 s GLU 58 CO 0.00 -0.68 1.06 0.45 0.02 0.00 0.00 175.26 176.10 1wh2 s SER 59 N -4.44 6.93 0.40 -0.19 0.15 -1.26 -4.85 113.70 110.44 1wh2 s SER 59 Ca 0.58 2.10 0.09 0.00 0.70 0.00 0.00 55.95 59.41 1wh2 s SER 59 Cb -0.10 -2.60 0.84 0.00 -1.71 0.00 0.00 66.02 62.46 1wh2 s SER 59 CO 0.38 -0.37 1.98 -0.03 1.20 0.00 0.00 173.24 176.39 1wh2 h MET 60 N 2.91 0.33 0.00 5.44 4.05 -1.98 -1.12 114.93 124.56 1wh2 h MET 60 Ca -0.48 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 58.85 1wh2 h MET 60 Cb 1.21 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.95 1wh2 h MET 60 CO 0.64 0.35 -0.19 0.93 0.23 0.00 0.00 176.91 178.87 1wh2 h GLU 61 N 0.33 0.00 -0.07 0.39 5.08 -2.00 -1.04 114.58 117.26 1wh2 h GLU 61 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1wh2 h GLU 61 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1wh2 h GLU 61 CO 0.00 0.19 0.00 0.45 -1.00 0.00 0.00 179.01 178.65 1wh2 n SER 62 N -4.24 0.26 -4.68 1.42 2.88 -0.43 -4.88 113.62 103.95 1wh2 n SER 62 Ca -0.02 -2.00 -0.42 0.00 -1.33 0.00 0.00 58.87 55.09 1wh2 n SER 62 Cb 0.26 -0.04 -0.03 0.00 -0.75 0.00 0.00 64.21 63.64 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 -1.92 3.68 0.39 -1.46 0.00 -0.40 -4.85 121.76 117.21 1wh2 s ALA 63 Ca 0.03 1.30 0.03 0.00 0.00 0.00 0.00 51.96 53.31 1wh2 s ALA 63 Cb 0.02 -3.76 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 1wh2 s ALA 63 CO 0.02 -1.29 0.58 0.14 0.00 0.00 0.00 175.76 175.21 1wh2 s VAL 64 N 3.25 4.14 0.20 0.00 -7.23 -0.12 -4.75 120.40 115.89 1wh2 s VAL 64 Ca 0.80 -0.70 -0.31 0.00 -1.81 0.00 0.00 61.98 59.96 1wh2 s VAL 64 Cb -0.42 -3.49 -0.10 0.00 0.56 0.00 0.00 36.38 32.93 1wh2 s VAL 64 CO 0.36 -0.28 1.47 -0.76 -0.31 0.00 0.00 175.10 175.57 1wh2 s LEU 65 N -4.38 4.38 0.31 1.32 1.43 -1.26 -0.83 118.68 119.64 1wh2 s LEU 65 Ca 0.46 2.59 0.03 0.00 -1.03 0.00 0.00 54.13 56.18 1wh2 s LEU 65 Cb -0.10 -3.61 0.61 0.00 0.03 0.00 0.00 46.19 43.12 1wh2 s LEU 65 CO 0.35 -0.72 1.87 0.25 0.23 0.00 0.00 176.35 178.32 1wh2 h LEU 66 N 5.82 0.86 -1.45 1.79 5.85 -1.37 -1.38 115.31 125.43 1wh2 h LEU 66 Ca -0.44 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 1wh2 h LEU 66 Cb 1.21 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1wh2 h LEU 66 CO 0.83 0.48 -0.15 0.00 -0.34 0.00 0.00 178.44 179.26 1wh2 h THR 67 N 0.93 0.44 0.13 1.05 1.03 -1.90 0.70 112.91 115.30 1wh2 h THR 67 Ca 0.45 -0.82 -0.01 0.00 -0.01 0.00 0.00 66.41 66.02 1wh2 h THR 67 Cb 0.46 1.58 0.00 0.00 -1.07 0.00 0.00 68.15 69.13 1wh2 h THR 67 CO -0.22 0.15 -0.06 -0.78 -0.01 0.00 0.00 175.52 174.60 1wh2 h ASP 68 N 0.00 -0.15 -0.58 0.00 3.58 -1.66 -3.29 116.42 114.31 1wh2 h ASP 68 Ca -0.00 -0.39 0.08 0.00 0.42 0.00 0.00 57.03 57.14 1wh2 h ASP 68 Cb 0.57 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.63 1wh2 h ASP 68 CO 0.02 0.44 0.39 0.58 -2.88 0.00 0.00 179.24 177.79 1wh2 h VAL 69 N -0.88 0.94 -0.15 2.25 2.07 -1.02 0.18 116.25 119.64 1wh2 h VAL 69 Ca -0.02 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1wh2 h VAL 69 Cb 0.53 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1wh2 h VAL 69 CO 0.03 0.09 0.14 -0.07 0.02 0.00 0.00 177.57 177.77 1wh2 h LEU 70 N 0.47 0.00 0.07 2.57 4.07 -0.96 0.25 115.31 121.79 1wh2 h LEU 70 Ca 0.26 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.85 1wh2 h LEU 70 Cb 0.42 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.12 1wh2 h LEU 70 CO -0.07 0.00 -2.15 -1.14 -1.08 0.00 0.00 178.44 173.99 1wh2 n ARG 71 N -4.08 0.72 0.14 1.13 0.63 0.44 -4.56 116.66 111.08 1wh2 n ARG 71 Ca 0.01 0.22 -0.14 0.00 -0.92 0.00 0.00 57.85 57.02 1wh2 n ARG 71 Cb 0.26 -1.65 -0.08 0.00 0.45 0.00 0.00 32.46 31.44 1wh2 n ARG 71 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1wh2 h LEU 72 N 0.04 -0.25-10.11 6.15 3.38 -0.47 -3.41 115.31 110.64 1wh2 h LEU 72 Ca -0.47 -0.03 -0.51 0.00 0.09 0.00 0.00 57.88 56.96 1wh2 h LEU 72 Cb 2.00 0.07 0.09 0.00 0.09 0.00 0.00 40.66 42.90 1wh2 h LEU 72 CO 0.03 -0.14 0.43 -0.55 0.09 0.00 0.00 178.44 178.31 1wh2 s SER 73 N -4.97 5.42 0.00 -0.43 0.15 0.03 -5.01 113.70 108.89 1wh2 s SER 73 Ca -0.15 2.22 0.00 0.00 0.70 0.00 0.00 55.95 58.73 1wh2 s SER 73 Cb 0.05 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1wh2 s SER 73 CO 0.64 -1.42 0.00 0.61 1.20 0.00 0.00 173.24 174.27 1wh2 n GLY 74 N 0.18 -0.92 2.68 9.45 0.00 -1.26 -4.79 105.19 110.52 1wh2 n GLY 74 Ca 0.12 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 1wh2 n GLY 74 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wh2 n PRO 75 N -0.82 2.63 -4.06 1.61 -0.04 -1.26 -4.81 135.00 128.25 1wh2 n PRO 75 Ca 0.00 -2.12 -0.11 0.00 -0.04 0.00 0.00 63.50 61.23 1wh2 n PRO 75 Cb 0.00 -2.93 -0.06 0.00 -0.04 0.00 0.00 33.50 30.47 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 3.37 0.13 0.17 3.54 1.04 -1.26 -5.06 113.70 115.63 1wh2 s SER 76 Ca 0.54 -1.12 0.19 0.00 0.48 0.00 0.00 55.95 56.04 1wh2 s SER 76 Cb 0.14 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.80 1wh2 s SER 76 CO -0.03 -1.10 1.05 -1.28 0.98 0.00 0.00 173.24 172.86 1wh2 h SER 77 N 2.31 0.00 0.00 7.02 0.87 -2.00 -3.52 113.55 118.23 1wh2 h SER 77 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1wh2 h SER 77 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1wh2 h SER 77 CO 0.40 0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.59