#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 4.94 0.30 1.61 0.01 -1.26 -5.11 113.70 114.19 1wh2 s SER 2 Ca 0.00 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.19 1wh2 s SER 2 Cb 0.00 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.37 1wh2 s SER 2 CO 0.00 0.14 0.21 -0.94 0.41 0.00 0.00 173.24 173.06 1wh2 s SER 3 N 0.52 1.41 1.09 2.44 1.04 -1.26 -5.17 113.70 113.77 1wh2 s SER 3 Ca -0.02 -1.63 -0.15 0.00 0.48 0.00 0.00 55.95 54.63 1wh2 s SER 3 Cb -0.14 0.48 0.23 0.00 0.10 0.00 0.00 66.02 66.69 1wh2 s SER 3 CO 0.02 -0.96 1.10 -0.83 0.98 0.00 0.00 173.24 173.55 1wh2 s GLY 4 N -3.35 1.57 -0.10 7.32 0.00 -1.26 -4.94 107.32 106.56 1wh2 s GLY 4 Ca 0.38 -0.63 -0.29 0.00 0.00 0.00 0.00 44.72 44.18 1wh2 s GLY 4 CO 0.21 0.11 1.99 -0.45 0.00 0.00 0.00 173.10 174.96 1wh2 s SER 5 N -3.65 6.09 0.21 1.64 0.15 -1.26 -4.95 113.70 111.93 1wh2 s SER 5 Ca 0.68 2.22 -0.19 0.00 0.70 0.00 0.00 55.95 59.36 1wh2 s SER 5 Cb -0.15 -2.52 0.03 0.00 -1.71 0.00 0.00 66.02 61.67 1wh2 s SER 5 CO 0.57 -1.41 0.58 -0.44 1.20 0.00 0.00 173.24 173.74 1wh2 s SER 6 N 5.74 -0.29 0.00 5.45 0.01 -1.26 -5.12 113.70 118.23 1wh2 s SER 6 Ca 0.90 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1wh2 s SER 6 Cb -0.36 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1wh2 s SER 6 CO 0.37 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.51 1wh2 n GLY 7 N -0.38 -2.35 3.56 3.44 0.00 -1.26 -5.05 105.19 103.16 1wh2 n GLY 7 Ca -0.09 0.80 -0.23 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 3.29 0.03 1.61 1.01 -1.26 -4.88 120.40 120.21 1wh2 s VAL 8 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1wh2 s VAL 8 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1wh2 s VAL 8 CO 0.00 -0.62 -0.06 -0.13 0.00 0.00 0.00 175.10 174.29 1wh2 s ARG 9 N 7.64 0.43 0.85 2.72 1.81 -1.26 -5.16 118.95 125.98 1wh2 s ARG 9 Ca 0.78 -0.68 -0.11 0.00 -1.72 0.00 0.00 55.73 54.00 1wh2 s ARG 9 Cb -0.09 -0.12 0.10 0.00 -0.45 0.00 0.00 34.95 34.40 1wh2 s ARG 9 CO 0.04 0.01 1.10 0.14 -0.68 0.00 0.00 175.30 175.90 1wh2 s VAL 10 N -1.38 2.85 -0.21 3.52 -7.23 -1.26 -5.06 120.40 111.63 1wh2 s VAL 10 Ca -0.12 0.28 -0.03 0.00 -1.81 0.00 0.00 61.98 60.30 1wh2 s VAL 10 Cb -0.10 -2.67 0.06 0.00 0.56 0.00 0.00 36.38 34.24 1wh2 s VAL 10 CO -0.00 -0.36 0.04 -1.48 -0.31 0.00 0.00 175.10 172.99 1wh2 s LEU 11 N -6.19 1.31 0.10 1.32 0.05 -1.26 -5.12 118.68 108.89 1wh2 s LEU 11 Ca 0.63 -0.91 -0.30 0.00 0.05 0.00 0.00 54.13 53.59 1wh2 s LEU 11 Cb -0.19 -0.64 -0.06 0.00 -2.05 0.00 0.00 46.19 43.26 1wh2 s LEU 11 CO 0.57 -0.31 1.13 -0.44 -0.55 0.00 0.00 176.35 176.74 1wh2 s SER 12 N 1.82 7.19 0.44 1.48 0.01 -1.26 -5.04 113.70 118.35 1wh2 s SER 12 Ca -0.00 1.99 -0.23 0.00 1.31 0.00 0.00 55.95 59.02 1wh2 s SER 12 Cb -0.17 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.39 1wh2 s SER 12 CO -0.10 -0.34 1.14 -0.31 0.41 0.00 0.00 173.24 174.03 1wh2 s TYR 13 N 0.55 2.98 -0.56 2.43 1.51 -1.26 -4.95 117.35 118.05 1wh2 s TYR 13 Ca 0.54 1.56 -0.15 0.00 -1.01 0.00 0.00 57.07 58.02 1wh2 s TYR 13 Cb -0.28 -3.31 0.14 0.00 -0.11 0.00 0.00 41.96 38.39 1wh2 s TYR 13 CO 0.31 -1.28 0.50 -0.51 -1.11 0.00 0.00 175.55 173.46 1wh2 s ASP 14 N -1.41 6.17 0.04 2.29 1.01 -1.26 -4.94 116.67 118.56 1wh2 s ASP 14 Ca 0.62 -1.92 0.15 0.00 0.71 0.00 0.00 52.55 52.12 1wh2 s ASP 14 Cb -0.27 -2.18 -0.16 0.00 1.01 0.00 0.00 42.92 41.33 1wh2 s ASP 14 CO 0.33 -0.80 0.80 0.11 0.21 0.00 0.00 175.17 175.82 1wh2 h LYS 15 N 8.68 0.00 0.00 8.23 1.57 -1.97 -3.10 116.57 129.98 1wh2 h LYS 15 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1wh2 h LYS 15 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1wh2 h LYS 15 CO 0.98 0.35 -0.71 0.39 -0.57 0.00 0.00 179.45 179.89 1wh2 n GLU 16 N -2.94 1.50 -1.03 3.15 1.02 -1.26 -2.41 120.64 118.67 1wh2 n GLU 16 Ca -0.11 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.72 1wh2 n GLU 16 Cb 0.89 -0.86 0.13 0.00 -0.02 0.00 0.00 31.44 31.59 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 -1.71 1.59 -0.59 3.49 -2.85 -1.26 -4.68 119.74 113.72 1wh2 s LYS 17 Ca 0.00 1.25 -0.15 0.00 -1.00 0.00 0.00 55.97 56.06 1wh2 s LYS 17 Cb 0.00 -1.81 0.15 0.00 -2.06 0.00 0.00 37.83 34.10 1wh2 s LYS 17 CO 0.00 -2.14 0.55 -0.51 0.10 0.00 0.00 175.35 173.35 1wh2 s LEU 18 N -6.24 6.29 0.00 2.77 1.43 -1.26 -3.90 118.68 117.77 1wh2 s LEU 18 Ca 0.64 -1.97 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 1wh2 s LEU 18 Cb -0.19 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1wh2 s LEU 18 CO 0.57 -0.80 0.57 0.59 0.23 0.00 0.00 176.35 177.51 1wh2 n ASN 19 N 4.99 0.86 -4.24 2.29 4.13 -0.94 -4.67 115.26 117.68 1wh2 n ASN 19 Ca -0.08 -1.32 -0.25 0.00 1.68 0.00 0.00 54.58 54.60 1wh2 n ASN 19 Cb 0.41 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.51 1wh2 n ASN 19 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1wh2 s TRP 20 N -0.32 1.79 0.24 3.10 0.52 -0.98 -1.10 118.94 122.19 1wh2 s TRP 20 Ca 0.00 -0.37 0.11 0.00 0.02 0.00 0.00 56.10 55.85 1wh2 s TRP 20 Cb 0.00 -1.07 -0.05 0.00 -1.15 0.00 0.00 33.47 31.20 1wh2 s TRP 20 CO 0.00 0.08 -0.19 -0.51 0.02 0.00 0.00 176.95 176.36 1wh2 s LEU 21 N -1.15 2.55 0.08 2.99 1.43 0.56 -0.52 118.68 124.62 1wh2 s LEU 21 Ca 0.07 -1.00 -0.10 0.00 -1.03 0.00 0.00 54.13 52.08 1wh2 s LEU 21 Cb -0.09 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.16 1wh2 s LEU 21 CO 0.02 -0.01 0.21 -0.72 0.23 0.00 0.00 176.35 176.08 1wh2 s TYR 22 N -2.50 0.10 -0.25 0.29 -0.85 -1.16 -1.65 117.35 111.33 1wh2 s TYR 22 Ca 0.26 -0.47 -0.09 0.00 -0.52 0.00 0.00 57.07 56.25 1wh2 s TYR 22 Cb -0.04 -0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 1wh2 s TYR 22 CO 0.12 -0.53 0.12 0.21 -1.52 0.00 0.00 175.55 173.95 1wh2 s LYS 23 N -3.58 3.88 0.70 -3.49 2.20 -1.26 -0.51 119.74 117.67 1wh2 s LYS 23 Ca 0.03 -0.37 -0.10 0.00 -0.36 0.00 0.00 55.97 55.17 1wh2 s LYS 23 Cb 0.03 -3.46 0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1wh2 s LYS 23 CO -0.10 -0.06 1.06 0.34 -0.36 0.00 0.00 175.35 176.23 1wh2 s ASP 24 N 1.36 5.30 0.54 1.43 2.15 -0.50 -4.96 116.67 121.99 1wh2 s ASP 24 Ca 0.06 0.95 0.28 0.00 0.43 0.00 0.00 52.55 54.27 1wh2 s ASP 24 Cb -0.15 -1.73 1.44 0.00 -0.30 0.00 0.00 42.92 42.18 1wh2 s ASP 24 CO 0.06 -1.38 1.95 -0.65 -0.17 0.00 0.00 175.17 174.98 1wh2 h PRO 25 N -0.61 0.00 0.00 4.34 0.11 -2.00 -0.69 132.00 133.16 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 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1wh2 h PRO 25 CO 0.63 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.46 1wh2 n GLN 26 N -4.26 0.12 0.00 1.05 6.02 -1.26 -4.84 117.38 114.22 1wh2 n GLN 26 Ca 0.12 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.62 1wh2 n GLN 26 Cb 0.73 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 30.17 1wh2 n GLN 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wh2 n GLY 27 N -0.77 0.76 3.70 1.08 0.00 -0.26 -5.05 105.19 104.65 1wh2 n GLY 27 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.04 0.99 2.01 -1.26 -4.81 118.68 119.99 1wh2 s LEU 28 Ca 0.00 1.99 -0.30 0.00 0.01 0.00 0.00 54.13 55.82 1wh2 s LEU 28 Cb 0.00 -3.57 -0.07 0.00 0.01 0.00 0.00 46.19 42.56 1wh2 s LEU 28 CO 0.00 -0.53 1.55 -0.69 1.01 0.00 0.00 176.35 177.69 1wh2 s VAL 29 N 1.49 3.30 0.30 -1.59 1.01 -1.26 -1.41 120.40 122.24 1wh2 s VAL 29 Ca 0.59 0.73 0.08 0.00 0.00 0.00 0.00 61.98 63.38 1wh2 s VAL 29 Cb -0.29 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1wh2 s VAL 29 CO 0.27 -0.00 0.13 -1.10 0.00 0.00 0.00 175.10 174.40 1wh2 s GLN 30 N 2.54 2.49 0.00 2.72 -1.52 0.34 -4.98 119.66 121.24 1wh2 s GLN 30 Ca 0.70 -1.39 0.00 0.00 -1.95 0.00 0.00 55.36 52.72 1wh2 s GLN 30 Cb -0.36 -2.28 0.00 0.00 -0.22 0.00 0.00 33.01 30.15 1wh2 s GLN 30 CO 0.30 0.24 0.00 0.41 -0.25 0.00 0.00 175.29 175.98 1wh2 n GLY 31 N -1.11 0.26 3.71 3.09 0.00 -1.26 -2.99 105.19 106.89 1wh2 n GLY 31 Ca -0.05 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 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 0.84 0.14 1.61 0.04 -1.26 -5.09 135.00 131.28 1wh2 s PRO 32 Ca 0.00 0.58 0.03 0.00 0.04 0.00 0.00 61.00 61.65 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 -2.47 -0.06 -0.06 0.04 0.00 0.00 177.00 174.45 1wh2 s PHE 33 N -3.00 1.16 0.50 0.56 0.08 0.32 -4.86 117.98 112.72 1wh2 s PHE 33 Ca 0.64 -0.87 -0.13 0.00 0.12 0.00 0.00 56.93 56.69 1wh2 s PHE 33 Cb -0.18 -0.63 -0.07 0.00 -0.57 0.00 0.00 43.02 41.58 1wh2 s PHE 33 CO 0.57 -0.06 0.92 -1.54 -0.10 0.00 0.00 175.22 175.01 1wh2 s SER 34 N -3.14 6.51 0.24 1.36 1.04 -1.25 -2.20 113.70 116.26 1wh2 s SER 34 Ca 0.17 1.38 -0.05 0.00 0.48 0.00 0.00 55.95 57.93 1wh2 s SER 34 Cb 0.04 -2.43 0.34 0.00 0.10 0.00 0.00 66.02 64.07 1wh2 s SER 34 CO 0.00 -0.57 1.85 -0.07 0.98 0.00 0.00 173.24 175.42 1wh2 h LEU 35 N 0.79 0.81 -0.43 2.42 3.38 -1.60 -1.53 115.31 119.15 1wh2 h LEU 35 Ca -0.46 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1wh2 h LEU 35 Cb 1.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1wh2 h LEU 35 CO 0.62 0.51 0.26 0.74 0.09 0.00 0.00 178.44 180.67 1wh2 h THR 36 N 0.94 1.13 0.23 0.22 2.02 -1.75 0.17 112.91 115.87 1wh2 h THR 36 Ca 0.37 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1wh2 h THR 36 Cb 0.19 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1wh2 h THR 36 CO -0.18 0.13 -0.11 1.56 0.37 0.00 0.00 175.52 177.29 1wh2 h GLN 37 N 0.57 -0.29 -0.87 6.66 4.20 -1.76 0.10 115.11 123.72 1wh2 h GLN 37 Ca 0.15 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.97 1wh2 h GLN 37 Cb -0.01 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 1wh2 h GLN 37 CO -0.03 -0.18 0.56 -0.07 -0.67 0.00 0.00 178.83 178.44 1wh2 h LEU 38 N -0.32 0.81 0.51 1.46 3.38 -0.97 -0.00 115.31 120.17 1wh2 h LEU 38 Ca -0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1wh2 h LEU 38 Cb 0.25 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1wh2 h LEU 38 CO 0.05 0.50 -0.25 0.50 0.09 0.00 0.00 178.44 179.33 1wh2 h LYS 39 N 0.91 -0.66 0.00 1.13 3.64 -0.44 -2.23 116.57 118.92 1wh2 h LYS 39 Ca 0.39 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1wh2 h LYS 39 Cb 0.32 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1wh2 h LYS 39 CO -0.16 -0.44 0.00 0.00 -2.27 0.00 0.00 179.45 176.58 1wh2 h ALA 40 N -1.40 1.00 0.01 5.00 0.00 -0.48 0.31 119.26 123.70 1wh2 h ALA 40 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wh2 h ALA 40 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wh2 h ALA 40 CO 0.12 0.00 -0.01 -1.49 0.00 0.00 0.00 179.25 177.87 1wh2 h TRP 41 N 0.00 -0.02 -0.94 0.00 6.55 -1.07 -3.19 115.95 117.28 1wh2 h TRP 41 Ca 0.00 -0.00 0.04 0.00 0.95 0.00 0.00 58.89 59.88 1wh2 h TRP 41 Cb 0.12 0.01 -0.06 0.00 -0.86 0.00 0.00 29.16 28.37 1wh2 h TRP 41 CO 0.00 0.76 0.61 1.03 -1.05 0.00 0.00 178.44 179.78 1wh2 h SER 42 N -0.86 1.00 0.44 -3.49 0.87 -0.45 -1.04 113.55 110.02 1wh2 h SER 42 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1wh2 h SER 42 Cb 0.78 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1wh2 h SER 42 CO 0.00 0.68 0.00 -0.67 -0.53 0.00 0.00 176.83 176.32 1wh2 n ASP 43 N -4.50 0.00 -0.39 6.23 2.03 0.92 -1.22 116.55 119.63 1wh2 n ASP 43 Ca 0.12 0.20 0.04 0.00 0.52 0.00 0.00 54.79 55.68 1wh2 n ASP 43 Cb 0.10 -0.37 0.08 0.00 -0.72 0.00 0.00 41.12 40.22 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 -1.37 2.21 -3.36 -1.67 0.00 -0.84 -5.03 120.51 110.47 1wh2 n ALA 44 Ca 0.07 -0.95 -0.16 0.00 0.00 0.00 0.00 53.44 52.39 1wh2 n ALA 44 Cb 0.17 -0.27 0.08 0.00 0.00 0.00 0.00 19.45 19.43 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 0.23 -6.02 0.04 0.00 -0.58 -0.36 -4.96 120.64 108.99 1wh2 n GLU 45 Ca 0.07 0.82 0.13 0.00 -0.42 0.00 0.00 57.16 57.75 1wh2 n GLU 45 Cb 0.32 -5.73 0.39 0.00 -0.57 0.00 0.00 31.44 25.85 1wh2 n GLU 45 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1wh2 n TYR 46 N -3.94 0.32 -2.72 -0.32 4.01 -0.46 -4.98 117.16 109.08 1wh2 n TYR 46 Ca -0.26 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1wh2 n TYR 46 Cb 0.66 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1wh2 n TYR 46 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1wh2 n PHE 47 N -1.80 0.00 -4.22 -0.72 3.72 -1.26 -4.98 117.46 108.20 1wh2 n PHE 47 Ca 0.06 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.33 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 0.72 0.37 0.19 4.37 -4.23 -1.26 -5.06 115.64 110.74 1wh2 s THR 48 Ca 0.00 -1.96 -0.09 0.00 -1.18 0.00 0.00 61.69 58.45 1wh2 s THR 48 Cb 0.00 -2.25 0.11 0.00 1.34 0.00 0.00 72.50 71.70 1wh2 s THR 48 CO 0.00 -0.31 1.72 0.50 -0.54 0.00 0.00 174.62 175.99 1wh2 h LYS 49 N 2.68 1.09 -0.63 3.99 3.11 -2.03 -2.47 116.57 122.31 1wh2 h LYS 49 Ca -0.36 -0.24 0.00 0.00 -2.81 0.00 0.00 60.65 57.23 1wh2 h LYS 49 Cb 1.22 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 1wh2 h LYS 49 CO 0.60 0.95 0.00 0.94 -2.81 0.00 0.00 179.45 179.13 1wh2 n GLN 50 N -4.29 0.91 -2.22 1.90 -0.06 -1.26 -4.71 117.38 107.66 1wh2 n GLN 50 Ca 0.05 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.63 1wh2 n GLN 50 Cb 0.23 -1.32 -0.03 0.00 -4.06 0.00 0.00 30.24 25.07 1wh2 n GLN 50 CO 0.00 0.00 0.00 0.12 -0.20 0.00 0.00 177.06 176.98 1wh2 s PHE 51 N -1.31 2.12 0.42 3.69 5.36 -0.93 -4.99 117.98 122.33 1wh2 s PHE 51 Ca 0.00 0.63 -0.03 0.00 -0.96 0.00 0.00 56.93 56.57 1wh2 s PHE 51 Cb 0.00 -4.25 -0.04 0.00 -0.34 0.00 0.00 43.02 38.39 1wh2 s PHE 51 CO 0.00 -2.30 0.68 1.03 -1.46 0.00 0.00 175.22 173.17 1wh2 s ARG 52 N 5.51 3.52 0.04 10.12 3.00 -1.26 -1.30 118.95 138.57 1wh2 s ARG 52 Ca 0.66 -0.03 -0.01 0.00 0.00 0.00 0.00 55.73 56.35 1wh2 s ARG 52 Cb -0.15 -2.50 -0.03 0.00 0.00 0.00 0.00 34.95 32.26 1wh2 s ARG 52 CO 0.30 -0.05 -0.03 0.14 0.00 0.00 0.00 175.30 175.66 1wh2 s VAL 53 N -2.55 0.17 0.16 3.52 -7.23 -0.05 -4.68 120.40 109.74 1wh2 s VAL 53 Ca 0.44 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 1wh2 s VAL 53 Cb -0.10 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.82 1wh2 s VAL 53 CO 0.41 -0.78 0.04 -1.66 -0.31 0.00 0.00 175.10 172.80 1wh2 s TRP 54 N -2.86 1.06 0.54 2.82 -2.14 -0.66 -0.61 118.94 117.10 1wh2 s TRP 54 Ca -0.03 -1.16 -0.13 0.00 2.66 0.00 0.00 56.10 57.44 1wh2 s TRP 54 Cb 0.00 -0.60 -0.06 0.00 -3.10 0.00 0.00 33.47 29.71 1wh2 s TRP 54 CO -0.06 -0.39 0.96 -1.64 -2.66 0.00 0.00 176.95 173.16 1wh2 s MET 55 N -4.00 3.78 -0.02 3.25 -1.94 -1.26 -0.33 119.30 118.78 1wh2 s MET 55 Ca 0.26 0.77 -0.30 0.00 -1.71 0.00 0.00 55.69 54.72 1wh2 s MET 55 Cb 0.07 -2.16 -0.08 0.00 2.01 0.00 0.00 34.83 34.67 1wh2 s MET 55 CO 0.04 -0.34 2.00 0.95 -0.01 0.00 0.00 175.02 177.66 1wh2 s THR 56 N -2.80 3.04 0.00 2.05 -4.23 -0.26 -1.48 115.64 111.96 1wh2 s THR 56 Ca 0.56 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1wh2 s THR 56 Cb -0.10 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1wh2 s THR 56 CO 0.40 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 1wh2 n GLY 57 N 4.76 0.78 3.97 3.99 0.00 -1.26 -5.04 105.19 112.39 1wh2 n GLY 57 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.02 2.87 0.46 1.61 2.02 -0.55 -5.11 118.70 119.98 1wh2 s GLU 58 Ca 0.00 -0.68 -0.20 0.00 0.02 0.00 0.00 54.97 54.11 1wh2 s GLU 58 Cb 0.00 -2.57 -0.10 0.00 0.10 0.00 0.00 34.13 31.56 1wh2 s GLU 58 CO 0.00 -0.40 0.96 -1.54 0.02 0.00 0.00 175.26 174.30 1wh2 s SER 59 N -4.29 6.82 0.30 -0.19 1.04 -1.26 -4.76 113.70 111.36 1wh2 s SER 59 Ca 0.52 1.66 0.06 0.00 0.48 0.00 0.00 55.95 58.66 1wh2 s SER 59 Cb -0.10 -2.53 0.47 0.00 0.10 0.00 0.00 66.02 63.96 1wh2 s SER 59 CO 0.37 -0.44 1.73 -0.03 0.98 0.00 0.00 173.24 175.85 1wh2 h MET 60 N 1.60 0.31 0.00 4.02 4.05 -1.99 -0.94 114.93 121.98 1wh2 h MET 60 Ca -0.48 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 58.81 1wh2 h MET 60 Cb 1.18 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 1wh2 h MET 60 CO 0.61 0.62 0.00 0.39 0.23 0.00 0.00 176.91 178.76 1wh2 n GLU 61 N -4.08 0.17 -0.42 0.39 -0.58 -1.26 -1.35 120.64 113.50 1wh2 n GLU 61 Ca -0.01 0.44 0.08 0.00 -0.42 0.00 0.00 57.16 57.25 1wh2 n GLU 61 Cb 0.44 -1.84 0.27 0.00 -0.57 0.00 0.00 31.44 29.74 1wh2 n GLU 61 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wh2 n SER 62 N -2.16 3.60 -4.68 1.62 2.88 -0.36 -4.97 113.62 109.56 1wh2 n SER 62 Ca 0.02 -2.23 -0.31 0.00 -1.33 0.00 0.00 58.87 55.02 1wh2 n SER 62 Cb 0.19 -0.47 0.16 0.00 -0.75 0.00 0.00 64.21 63.34 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 -1.60 1.47 0.12 -1.46 0.00 -0.46 -4.82 121.76 115.01 1wh2 s ALA 63 Ca 0.40 0.46 0.05 0.00 0.00 0.00 0.00 51.96 52.87 1wh2 s ALA 63 Cb 0.24 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1wh2 s ALA 63 CO 0.22 -2.65 -0.12 0.14 0.00 0.00 0.00 175.76 173.34 1wh2 s VAL 64 N -2.69 1.17 0.12 0.00 -7.23 0.22 -4.93 120.40 107.07 1wh2 s VAL 64 Ca 0.66 -1.74 -0.31 0.00 -1.81 0.00 0.00 61.98 58.78 1wh2 s VAL 64 Cb -0.22 -1.52 -0.07 0.00 0.56 0.00 0.00 36.38 35.13 1wh2 s VAL 64 CO 0.58 -0.51 1.30 -0.76 -0.31 0.00 0.00 175.10 175.40 1wh2 s LEU 65 N -2.56 4.38 0.48 1.32 1.43 -1.26 -0.87 118.68 121.61 1wh2 s LEU 65 Ca 0.09 2.24 0.19 0.00 -1.03 0.00 0.00 54.13 55.62 1wh2 s LEU 65 Cb -0.03 -3.59 1.22 0.00 0.03 0.00 0.00 46.19 43.81 1wh2 s LEU 65 CO 0.02 -0.55 1.99 0.25 0.23 0.00 0.00 176.35 178.29 1wh2 h LEU 66 N 6.44 0.18 -1.29 1.79 5.85 -1.49 -1.02 115.31 125.77 1wh2 h LEU 66 Ca -0.43 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.25 1wh2 h LEU 66 Cb 1.21 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1wh2 h LEU 66 CO 0.82 0.10 -0.01 0.71 -0.34 0.00 0.00 178.44 179.73 1wh2 h THR 67 N 0.19 1.19 0.08 1.05 1.35 -1.84 0.46 112.91 115.39 1wh2 h THR 67 Ca 0.26 -0.74 -0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1wh2 h THR 67 Cb 0.75 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1wh2 h THR 67 CO -0.04 0.25 -0.04 -0.78 -0.25 0.00 0.00 175.52 174.66 1wh2 h ASP 68 N 0.45 -0.09 -0.83 5.36 3.58 -1.58 -2.01 116.42 121.31 1wh2 h ASP 68 Ca 0.10 -0.44 0.09 0.00 0.42 0.00 0.00 57.03 57.20 1wh2 h ASP 68 Cb 0.31 0.02 -0.07 0.00 1.72 0.00 0.00 39.33 41.31 1wh2 h ASP 68 CO 0.01 0.43 0.48 0.58 -2.88 0.00 0.00 179.24 177.85 1wh2 h VAL 69 N -0.64 0.91 -0.10 2.25 2.07 -1.28 0.91 116.25 120.38 1wh2 h VAL 69 Ca -0.01 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1wh2 h VAL 69 Cb 0.53 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1wh2 h VAL 69 CO 0.02 0.15 -0.15 -0.07 0.02 0.00 0.00 177.57 177.54 1wh2 h LEU 70 N 0.80 -0.45 -1.52 2.57 4.07 -0.90 -2.45 115.31 117.43 1wh2 h LEU 70 Ca 0.40 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 58.42 1wh2 h LEU 70 Cb 0.36 0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.31 1wh2 h LEU 70 CO -0.24 -0.19 -0.08 -0.09 -1.08 0.00 0.00 178.44 176.75 1wh2 h ARG 71 N -0.19 0.00 -0.00 1.13 2.43 -0.38 0.21 114.38 117.57 1wh2 h ARG 71 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1wh2 h ARG 71 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1wh2 h ARG 71 CO -0.22 0.08 -0.05 1.28 -1.51 0.00 0.00 179.97 179.55 1wh2 n LEU 72 N -3.25 0.08 0.00 3.80 4.77 0.17 -4.39 117.00 118.18 1wh2 n LEU 72 Ca -0.00 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1wh2 n LEU 72 Cb 0.32 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1wh2 n LEU 72 CO 0.29 0.02 -0.42 -1.54 -1.33 0.00 0.00 177.39 174.41 1wh2 n SER 73 N -1.40 1.41 -4.48 -1.43 3.41 -0.86 -5.01 113.62 105.26 1wh2 n SER 73 Ca 0.09 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.42 1wh2 n SER 73 Cb 0.31 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.51 1wh2 n SER 73 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wh2 s GLY 74 N -4.51 1.54 0.83 5.00 0.00 0.69 -5.03 107.32 105.83 1wh2 s GLY 74 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 44.72 44.38 1wh2 s GLY 74 CO 0.00 0.51 1.16 2.56 0.00 0.00 0.00 173.10 177.33 1wh2 s PRO 75 N -4.54 1.80 -1.07 2.90 0.04 -1.26 -4.75 135.00 128.12 1wh2 s PRO 75 Ca 0.68 0.22 -0.20 0.00 0.04 0.00 0.00 61.00 61.74 1wh2 s PRO 75 Cb -0.24 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.47 1wh2 s PRO 75 CO 0.64 -1.73 1.42 0.45 0.04 0.00 0.00 177.00 177.82 1wh2 s SER 76 N -4.37 6.67 0.23 6.66 0.15 -1.26 -4.65 113.70 117.14 1wh2 s SER 76 Ca 0.62 -1.99 0.00 0.00 0.70 0.00 0.00 55.95 55.28 1wh2 s SER 76 Cb -0.12 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1wh2 s SER 76 CO 0.51 -1.23 0.00 -0.24 1.20 0.00 0.00 173.24 173.48 1wh2 n SER 77 N 7.78 -3.71 -0.73 5.45 2.88 -1.26 -5.27 113.62 118.76 1wh2 n SER 77 Ca 0.34 0.67 0.09 0.00 -1.33 0.00 0.00 58.87 58.64 1wh2 n SER 77 Cb 0.49 -1.45 0.08 0.00 -0.75 0.00 0.00 64.21 62.57 1wh2 n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42