#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 2.40 0.00 1.61 1.04 -1.26 -5.10 113.70 112.39 1wh2 s SER 2 Ca 0.00 1.41 0.00 0.00 0.48 0.00 0.00 55.95 57.84 1wh2 s SER 2 Cb 0.00 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 64.02 1wh2 s SER 2 CO 0.00 -3.30 0.00 -1.54 0.98 0.00 0.00 173.24 169.38 1wh2 n SER 3 N -4.31 0.96 0.00 7.02 3.41 -1.26 -5.15 113.62 114.29 1wh2 n SER 3 Ca 0.05 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1wh2 n SER 3 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1wh2 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wh2 n GLY 4 N 5.00 -0.79 0.00 5.00 0.00 -1.26 -5.16 105.19 107.98 1wh2 n GLY 4 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.18 -0.35 1.61 2.88 -1.26 -4.82 113.62 111.51 1wh2 n SER 5 Ca 0.00 -0.05 0.33 0.00 -1.33 0.00 0.00 58.87 57.83 1wh2 n SER 5 Cb 0.00 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 64.15 1wh2 n SER 5 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1wh2 h SER 6 N -0.18 0.13 -4.60 -3.46 4.64 -2.01 -3.48 113.55 104.59 1wh2 h SER 6 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1wh2 h SER 6 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1wh2 h SER 6 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1wh2 n GLY 7 N -1.69 0.03 2.67 -0.77 0.00 -1.26 -4.74 105.19 99.43 1wh2 n GLY 7 Ca 0.27 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 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 0.21 5.13 -3.12 1.61 0.24 -1.26 -4.74 118.33 116.39 1wh2 n VAL 8 Ca 0.00 -5.06 -0.03 0.00 -2.04 0.00 0.00 64.34 57.21 1wh2 n VAL 8 Cb 0.00 -1.56 0.01 0.00 -1.47 0.00 0.00 33.84 30.82 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 0.17 -1.41 -3.75 7.34 1.74 -1.26 -5.07 116.66 114.41 1wh2 n ARG 9 Ca 0.51 1.39 -0.12 0.00 -0.77 0.00 0.00 57.85 58.86 1wh2 n ARG 9 Cb 0.27 -5.57 -0.13 0.00 -1.02 0.00 0.00 32.46 26.02 1wh2 n ARG 9 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1wh2 s VAL 10 N -3.04 -0.02 -0.15 1.55 1.01 -1.26 -5.15 120.40 113.33 1wh2 s VAL 10 Ca 0.04 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 1wh2 s VAL 10 Cb -0.01 -0.36 0.07 0.00 0.00 0.00 0.00 36.38 36.09 1wh2 s VAL 10 CO 0.76 0.04 0.29 -0.76 0.00 0.00 0.00 175.10 175.42 1wh2 s LEU 11 N 0.79 -0.36 0.47 3.92 1.43 -1.26 -4.85 118.68 118.82 1wh2 s LEU 11 Ca -0.05 0.58 -0.21 0.00 -1.03 0.00 0.00 54.13 53.42 1wh2 s LEU 11 Cb -0.07 0.80 -0.09 0.00 0.03 0.00 0.00 46.19 46.87 1wh2 s LEU 11 CO -0.05 -0.25 1.03 -0.55 0.23 0.00 0.00 176.35 176.77 1wh2 s SER 12 N 2.45 6.47 0.33 2.29 0.15 -1.26 -5.05 113.70 119.08 1wh2 s SER 12 Ca 0.02 1.93 -0.29 0.00 0.70 0.00 0.00 55.95 58.31 1wh2 s SER 12 Cb -0.12 -2.56 -0.10 0.00 -1.71 0.00 0.00 66.02 61.52 1wh2 s SER 12 CO -0.10 -0.69 1.35 -0.31 1.20 0.00 0.00 173.24 174.68 1wh2 s TYR 13 N -1.94 2.96 -0.79 3.44 1.51 -1.26 -4.95 117.35 116.33 1wh2 s TYR 13 Ca 0.65 1.35 -0.26 0.00 -1.01 0.00 0.00 57.07 57.80 1wh2 s TYR 13 Cb -0.17 -3.75 0.03 0.00 -0.11 0.00 0.00 41.96 37.97 1wh2 s TYR 13 CO 0.21 -2.10 1.33 -0.51 -1.11 0.00 0.00 175.55 173.36 1wh2 s ASP 14 N -0.38 6.19 -0.02 2.29 1.01 -1.26 -4.80 116.67 119.70 1wh2 s ASP 14 Ca 0.50 -0.60 0.22 0.00 0.71 0.00 0.00 52.55 53.38 1wh2 s ASP 14 Cb -0.41 -2.56 -0.32 0.00 1.01 0.00 0.00 42.92 40.64 1wh2 s ASP 14 CO 0.54 -1.80 0.57 2.29 0.21 0.00 0.00 175.17 176.97 1wh2 n LYS 15 N 9.29 0.53 -0.02 8.23 2.85 -1.26 -3.96 118.16 133.82 1wh2 n LYS 15 Ca 0.09 -0.16 0.02 0.00 -1.05 0.00 0.00 58.31 57.21 1wh2 n LYS 15 Cb 0.49 -1.52 0.03 0.00 -0.65 0.00 0.00 35.03 33.39 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 -2.11 2.58 -4.24 -1.58 1.02 -1.26 -1.94 120.64 113.09 1wh2 n GLU 16 Ca -0.02 -1.73 -0.21 0.00 -0.02 0.00 0.00 57.16 55.18 1wh2 n GLU 16 Cb 0.52 -1.11 -0.12 0.00 -0.02 0.00 0.00 31.44 30.72 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 -1.41 1.02 -0.84 3.49 -2.85 -1.26 -5.00 119.74 112.89 1wh2 s LYS 17 Ca 0.07 -1.13 -0.25 0.00 -1.00 0.00 0.00 55.97 53.66 1wh2 s LYS 17 Cb 0.06 -1.11 -0.02 0.00 -2.06 0.00 0.00 37.83 34.71 1wh2 s LYS 17 CO 0.01 0.24 1.79 -0.51 0.10 0.00 0.00 175.35 176.98 1wh2 s LEU 18 N -2.03 3.25 0.00 2.77 1.02 -1.26 -3.87 118.68 118.56 1wh2 s LEU 18 Ca 0.05 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 53.66 1wh2 s LEU 18 Cb -0.09 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.57 1wh2 s LEU 18 CO 0.04 -2.38 0.41 0.59 0.02 0.00 0.00 176.35 175.03 1wh2 n ASN 19 N 12.47 0.63 -3.95 2.29 4.13 -0.88 -4.60 115.26 125.35 1wh2 n ASN 19 Ca 0.31 -1.16 -0.27 0.00 1.68 0.00 0.00 54.58 55.14 1wh2 n ASN 19 Cb 0.49 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.56 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 -0.16 1.64 0.41 3.10 0.52 -0.74 -1.79 118.94 121.91 1wh2 s TRP 20 Ca 0.00 -0.82 -0.02 0.00 0.02 0.00 0.00 56.10 55.28 1wh2 s TRP 20 Cb 0.00 -1.29 -0.04 0.00 -1.15 0.00 0.00 33.47 30.99 1wh2 s TRP 20 CO 0.00 -0.52 0.66 -0.51 0.02 0.00 0.00 176.95 176.61 1wh2 s LEU 21 N 1.51 3.83 0.18 2.99 1.43 0.62 -0.49 118.68 128.75 1wh2 s LEU 21 Ca 0.02 0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 53.70 1wh2 s LEU 21 Cb -0.13 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.49 1wh2 s LEU 21 CO -0.07 -0.43 0.36 -0.72 0.23 0.00 0.00 176.35 175.72 1wh2 s TYR 22 N -2.51 0.30 -0.22 0.29 -0.85 -0.95 -2.14 117.35 111.27 1wh2 s TYR 22 Ca 0.44 -0.65 -0.04 0.00 -0.52 0.00 0.00 57.07 56.30 1wh2 s TYR 22 Cb -0.10 0.06 -0.01 0.00 0.38 0.00 0.00 41.96 42.29 1wh2 s TYR 22 CO 0.40 -0.79 -0.04 0.21 -1.52 0.00 0.00 175.55 173.81 1wh2 s LYS 23 N -3.96 3.40 0.98 -3.49 2.20 -1.26 -0.46 119.74 117.15 1wh2 s LYS 23 Ca 0.16 -0.61 -0.17 0.00 -0.36 0.00 0.00 55.97 54.99 1wh2 s LYS 23 Cb 0.02 -3.01 0.23 0.00 -1.51 0.00 0.00 37.83 33.56 1wh2 s LYS 23 CO 0.01 -0.17 1.13 -3.47 -0.36 0.00 0.00 175.35 172.48 1wh2 n ASP 24 N 4.73 -0.71 -1.78 1.43 2.03 -1.20 -4.94 116.55 116.12 1wh2 n ASP 24 Ca -0.18 -1.31 -0.11 0.00 0.52 0.00 0.00 54.79 53.71 1wh2 n ASP 24 Cb 0.51 -0.92 0.02 0.00 -0.72 0.00 0.00 41.12 40.01 1wh2 n ASP 24 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wh2 n PRO 25 N -3.93 1.55 0.00 -0.67 -0.04 -1.26 -3.35 135.00 127.30 1wh2 n PRO 25 Ca 0.15 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.55 1wh2 n PRO 25 Cb 0.53 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.78 3.15 -0.89 0.54 6.02 -1.26 -5.02 117.38 120.70 1wh2 n GLN 26 Ca 0.21 -0.24 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1wh2 n GLN 26 Cb 0.56 -0.74 0.00 0.00 1.02 0.00 0.00 30.24 31.08 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 0.52 0.73 3.70 1.08 0.00 -1.21 -5.01 105.19 105.00 1wh2 n GLY 27 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 4.28 0.14 0.99 2.01 -1.26 -4.99 118.68 119.85 1wh2 s LEU 28 Ca 0.00 1.23 -0.31 0.00 0.01 0.00 0.00 54.13 55.05 1wh2 s LEU 28 Cb 0.00 -3.17 -0.10 0.00 0.01 0.00 0.00 46.19 42.94 1wh2 s LEU 28 CO 0.00 -0.20 1.62 -0.69 1.01 0.00 0.00 176.35 178.08 1wh2 s VAL 29 N 1.18 2.70 0.25 -1.59 1.01 -1.26 -3.21 120.40 119.47 1wh2 s VAL 29 Ca 0.39 0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.85 1wh2 s VAL 29 Cb -0.18 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1wh2 s VAL 29 CO 0.18 0.02 0.23 -1.10 0.00 0.00 0.00 175.10 174.43 1wh2 s GLN 30 N 1.65 3.03 0.00 2.72 -1.52 0.40 -4.99 119.66 120.95 1wh2 s GLN 30 Ca 0.72 -1.00 0.00 0.00 -1.95 0.00 0.00 55.36 53.13 1wh2 s GLN 30 Cb -0.43 -2.63 0.00 0.00 -0.22 0.00 0.00 33.01 29.73 1wh2 s GLN 30 CO 0.32 0.41 0.00 0.41 -0.25 0.00 0.00 175.29 176.17 1wh2 n GLY 31 N -1.23 -1.32 3.85 3.09 0.00 -1.26 -2.23 105.19 106.10 1wh2 n GLY 31 Ca -0.08 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.56 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 2.01 0.08 1.61 0.04 -1.26 -5.01 135.00 132.47 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 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1wh2 s PRO 32 CO 0.00 -1.61 -0.09 -0.06 0.04 0.00 0.00 177.00 175.29 1wh2 s PHE 33 N -3.38 0.90 0.45 0.56 0.08 0.36 -4.77 117.98 112.18 1wh2 s PHE 33 Ca 0.61 -0.68 -0.22 0.00 0.12 0.00 0.00 56.93 56.76 1wh2 s PHE 33 Cb -0.12 -0.51 -0.08 0.00 -0.57 0.00 0.00 43.02 41.73 1wh2 s PHE 33 CO 0.52 -0.07 1.09 -1.54 -0.10 0.00 0.00 175.22 175.12 1wh2 s SER 34 N -2.35 6.38 0.47 1.36 1.04 -1.25 -1.80 113.70 117.56 1wh2 s SER 34 Ca 0.03 2.10 0.13 0.00 0.48 0.00 0.00 55.95 58.69 1wh2 s SER 34 Cb -0.03 -2.58 1.11 0.00 0.10 0.00 0.00 66.02 64.62 1wh2 s SER 34 CO -0.01 -0.76 2.10 -0.07 0.98 0.00 0.00 173.24 175.48 1wh2 h LEU 35 N 2.01 0.20 -0.34 2.42 3.38 -1.65 -1.04 115.31 120.29 1wh2 h LEU 35 Ca -0.49 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.49 1wh2 h LEU 35 Cb 1.23 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1wh2 h LEU 35 CO 0.60 0.14 0.21 0.74 0.09 0.00 0.00 178.44 180.22 1wh2 h THR 36 N 0.23 1.05 -0.46 0.22 2.02 -1.73 0.14 112.91 114.40 1wh2 h THR 36 Ca 0.09 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 1wh2 h THR 36 Cb 0.06 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1wh2 h THR 36 CO -0.02 0.08 0.02 1.56 0.37 0.00 0.00 175.52 177.53 1wh2 h GLN 37 N 0.43 0.79 -0.72 6.66 4.20 -1.59 -1.55 115.11 123.34 1wh2 h GLN 37 Ca 0.13 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1wh2 h GLN 37 Cb -0.02 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1wh2 h GLN 37 CO -0.05 0.84 0.37 -0.07 -0.67 0.00 0.00 178.83 179.26 1wh2 h LEU 38 N 0.65 0.93 -0.38 1.46 3.38 -0.94 -1.59 115.31 118.82 1wh2 h LEU 38 Ca 0.13 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1wh2 h LEU 38 Cb 0.47 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1wh2 h LEU 38 CO 0.02 0.78 0.25 0.50 0.09 0.00 0.00 178.44 180.07 1wh2 h LYS 39 N 1.01 0.49 -0.65 1.13 3.64 -0.58 -0.85 116.57 120.76 1wh2 h LYS 39 Ca 0.25 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1wh2 h LYS 39 Cb 0.08 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1wh2 h LYS 39 CO -0.04 0.33 0.34 0.00 -2.27 0.00 0.00 179.45 177.81 1wh2 h ALA 40 N 1.14 1.38 -0.28 5.00 0.00 -0.70 0.47 119.26 126.28 1wh2 h ALA 40 Ca 0.14 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1wh2 h ALA 40 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1wh2 h ALA 40 CO -0.04 0.50 -0.10 -1.49 0.00 0.00 0.00 179.25 178.12 1wh2 h TRP 41 N 0.90 0.64 -0.93 0.00 6.55 -1.15 -3.11 115.95 118.86 1wh2 h TRP 41 Ca 0.23 -0.15 0.02 0.00 0.95 0.00 0.00 58.89 59.94 1wh2 h TRP 41 Cb 0.05 -0.15 -0.05 0.00 -0.86 0.00 0.00 29.16 28.15 1wh2 h TRP 41 CO 0.01 0.79 0.61 1.03 -1.05 0.00 0.00 178.44 179.82 1wh2 h SER 42 N 0.30 1.05 -0.58 -3.49 0.87 -0.20 0.61 113.55 112.10 1wh2 h SER 42 Ca 0.07 -0.02 0.16 0.00 -1.23 0.00 0.00 61.79 60.76 1wh2 h SER 42 Cb 0.60 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1wh2 h SER 42 CO 0.03 0.74 0.41 0.44 -0.53 0.00 0.00 176.83 177.93 1wh2 h ASP 43 N 1.23 0.06 -0.21 6.23 5.19 -0.96 -2.54 116.42 125.42 1wh2 h ASP 43 Ca 0.35 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 1wh2 h ASP 43 Cb -0.09 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.41 1wh2 h ASP 43 CO -0.09 0.03 0.00 0.00 -3.12 0.00 0.00 179.24 176.06 1wh2 n ALA 44 N -2.63 2.43 -1.27 3.45 0.00 0.15 -4.98 120.51 117.67 1wh2 n ALA 44 Ca 0.11 -0.84 -0.09 0.00 0.00 0.00 0.00 53.44 52.62 1wh2 n ALA 44 Cb 0.61 -0.79 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 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 1.34 -0.62 0.00 0.00 -0.58 -0.87 -4.94 120.64 114.97 1wh2 n GLU 45 Ca 0.16 0.81 0.07 0.00 -0.42 0.00 0.00 57.16 57.79 1wh2 n GLU 45 Cb 0.57 -4.69 0.41 0.00 -0.57 0.00 0.00 31.44 27.16 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 -2.75 0.00 -4.46 -0.32 4.01 -1.02 -4.80 117.16 107.82 1wh2 n TYR 46 Ca -0.09 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.41 1wh2 n TYR 46 Cb 0.30 -0.15 -0.07 0.00 -0.31 0.00 0.00 39.34 39.11 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 -1.15 0.01 -3.83 -0.72 3.72 -1.26 -5.01 117.46 109.22 1wh2 n PHE 47 Ca 0.09 -2.61 -0.21 0.00 -0.05 0.00 0.00 57.45 54.67 1wh2 n PHE 47 Cb 0.09 0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 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 -3.10 3.74 -2.00 4.37 -4.23 -1.26 -5.01 115.64 108.15 1wh2 s THR 48 Ca 0.23 -1.34 0.04 0.00 -1.18 0.00 0.00 61.69 59.44 1wh2 s THR 48 Cb 0.01 -3.25 0.11 0.00 1.34 0.00 0.00 72.50 70.72 1wh2 s THR 48 CO 0.16 -0.20 0.72 0.29 -0.54 0.00 0.00 174.62 175.05 1wh2 n LYS 49 N -1.37 0.51 -1.30 3.99 4.01 -1.26 -2.64 118.16 120.09 1wh2 n LYS 49 Ca -0.03 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.80 1wh2 n LYS 49 Cb 0.59 -1.12 0.01 0.00 -0.51 0.00 0.00 35.03 34.00 1wh2 n LYS 49 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1wh2 n GLN 50 N -0.62 0.00 -2.76 1.97 6.02 -1.26 -5.11 117.38 115.62 1wh2 n GLN 50 Ca 0.03 -1.74 -0.38 0.00 -0.01 0.00 0.00 57.00 54.90 1wh2 n GLN 50 Cb 0.01 -0.03 -0.06 0.00 1.02 0.00 0.00 30.24 31.18 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 0.00 3.72 0.29 1.08 5.36 -1.08 -4.98 117.98 122.36 1wh2 s PHE 51 Ca 0.26 1.80 0.07 0.00 -0.96 0.00 0.00 56.93 58.09 1wh2 s PHE 51 Cb 0.30 -2.95 -0.06 0.00 -0.34 0.00 0.00 43.02 39.97 1wh2 s PHE 51 CO -0.13 0.20 -0.06 1.03 -1.46 0.00 0.00 175.22 174.80 1wh2 s ARG 52 N -1.92 1.59 0.05 10.12 3.00 -1.26 -1.32 118.95 129.21 1wh2 s ARG 52 Ca 0.49 -1.81 0.00 0.00 0.00 0.00 0.00 55.73 54.41 1wh2 s ARG 52 Cb -0.20 -1.21 -0.04 0.00 0.00 0.00 0.00 34.95 33.50 1wh2 s ARG 52 CO 0.26 0.04 -0.04 0.14 0.00 0.00 0.00 175.30 175.70 1wh2 s VAL 53 N -2.97 0.33 0.07 3.52 -7.23 -0.61 -4.78 120.40 108.74 1wh2 s VAL 53 Ca 0.30 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 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 0.13 -0.82 -0.05 -1.66 -0.31 0.00 0.00 175.10 172.39 1wh2 s TRP 54 N -3.15 0.71 0.70 2.82 -2.14 -0.91 -1.22 118.94 115.75 1wh2 s TRP 54 Ca 0.02 -0.98 -0.14 0.00 2.66 0.00 0.00 56.10 57.66 1wh2 s TRP 54 Cb 0.02 -0.45 0.02 0.00 -3.10 0.00 0.00 33.47 29.96 1wh2 s TRP 54 CO -0.06 -0.26 1.12 -1.64 -2.66 0.00 0.00 176.95 173.45 1wh2 s MET 55 N -3.84 2.55 -0.56 3.25 -1.94 -1.26 -0.27 119.30 117.23 1wh2 s MET 55 Ca 0.09 1.38 -0.29 0.00 -1.71 0.00 0.00 55.69 55.17 1wh2 s MET 55 Cb 0.06 -1.92 -0.11 0.00 2.01 0.00 0.00 34.83 34.88 1wh2 s MET 55 CO -0.07 -1.44 2.43 0.25 -0.01 0.00 0.00 175.02 176.17 1wh2 n THR 56 N -2.76 0.01 -0.01 2.05 -2.24 -0.74 -1.47 114.28 109.12 1wh2 n THR 56 Ca 0.10 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1wh2 n THR 56 Cb 0.52 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.65 1wh2 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wh2 n GLY 57 N 6.19 0.28 3.74 3.38 0.00 -1.26 -5.09 105.19 112.43 1wh2 n GLY 57 Ca 0.43 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.97 1.07 0.19 1.61 2.02 -0.55 -5.04 118.70 117.04 1wh2 s GLU 58 Ca 0.00 0.51 -0.29 0.00 0.02 0.00 0.00 54.97 55.21 1wh2 s GLU 58 Cb 0.00 -1.81 -0.08 0.00 0.10 0.00 0.00 34.13 32.34 1wh2 s GLU 58 CO 0.00 -2.29 0.91 -1.54 0.02 0.00 0.00 175.26 172.36 1wh2 s SER 59 N -3.72 7.55 0.58 -0.19 1.04 -1.26 -4.87 113.70 112.83 1wh2 s SER 59 Ca 0.64 1.84 0.27 0.00 0.48 0.00 0.00 55.95 59.18 1wh2 s SER 59 Cb -0.16 -2.58 1.66 0.00 0.10 0.00 0.00 66.02 65.04 1wh2 s SER 59 CO 0.55 0.11 2.17 -0.03 0.98 0.00 0.00 173.24 177.03 1wh2 h MET 60 N 4.57 0.00 0.00 4.02 4.05 -1.96 -1.25 114.93 124.36 1wh2 h MET 60 Ca -0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1wh2 h MET 60 Cb 1.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1wh2 h MET 60 CO 0.69 0.00 0.00 0.93 0.23 0.00 0.00 176.91 178.76 1wh2 h GLU 61 N 0.00 0.00 -0.63 0.39 5.08 -2.00 -2.53 114.58 114.89 1wh2 h GLU 61 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1wh2 h GLU 61 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1wh2 h GLU 61 CO -0.00 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.44 1wh2 n SER 62 N -2.69 4.04 -4.72 1.42 7.64 -0.47 -4.98 113.62 113.85 1wh2 n SER 62 Ca 0.02 -2.41 -0.42 0.00 1.01 0.00 0.00 58.87 57.08 1wh2 n SER 62 Cb 0.32 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.87 3.69 0.32 -0.43 0.00 -0.95 -4.89 121.76 117.63 1wh2 s ALA 63 Ca 0.41 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.70 1wh2 s ALA 63 Cb 0.27 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1wh2 s ALA 63 CO 0.19 -0.73 0.49 0.14 0.00 0.00 0.00 175.76 175.85 1wh2 s VAL 64 N 0.81 4.99 0.04 0.00 -7.23 -0.36 -4.79 120.40 113.86 1wh2 s VAL 64 Ca 0.66 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 59.84 1wh2 s VAL 64 Cb -0.42 -3.80 -0.09 0.00 0.56 0.00 0.00 36.38 32.64 1wh2 s VAL 64 CO 0.34 -0.43 1.97 0.18 -0.31 0.00 0.00 175.10 176.84 1wh2 n LEU 65 N -1.67 4.14 -0.17 1.32 4.77 -1.26 -1.58 117.00 122.54 1wh2 n LEU 65 Ca -0.05 0.91 0.18 0.00 -0.03 0.00 0.00 56.01 57.02 1wh2 n LEU 65 Cb 0.57 -1.52 0.54 0.00 -2.33 0.00 0.00 43.42 40.68 1wh2 n LEU 65 CO 0.47 0.19 1.21 0.25 -1.33 0.00 0.00 177.39 178.19 1wh2 h LEU 66 N 10.43 0.33 -0.90 2.23 5.85 -1.51 -1.29 115.31 130.45 1wh2 h LEU 66 Ca -0.50 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.14 1wh2 h LEU 66 Cb 1.24 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1wh2 h LEU 66 CO 0.94 0.16 -0.44 0.71 -0.34 0.00 0.00 178.44 179.47 1wh2 h THR 67 N 0.34 1.32 -0.15 1.05 1.35 -1.90 0.39 112.91 115.32 1wh2 h THR 67 Ca 0.39 -1.58 -0.03 0.00 -0.55 0.00 0.00 66.41 64.64 1wh2 h THR 67 Cb 1.02 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1wh2 h THR 67 CO -0.12 0.47 -0.03 -0.78 -0.25 0.00 0.00 175.52 174.82 1wh2 h ASP 68 N 0.20 0.28 -0.91 5.36 1.82 -1.63 -2.51 116.42 119.03 1wh2 h ASP 68 Ca 0.02 -0.35 -0.01 0.00 -0.39 0.00 0.00 57.03 56.29 1wh2 h ASP 68 Cb 0.86 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.74 1wh2 h ASP 68 CO 0.07 0.57 0.53 0.58 -1.61 0.00 0.00 179.24 179.37 1wh2 h VAL 69 N -0.01 1.26 -0.82 2.25 2.07 -1.31 -0.84 116.25 118.85 1wh2 h VAL 69 Ca 0.04 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1wh2 h VAL 69 Cb 0.44 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1wh2 h VAL 69 CO 0.01 0.28 0.54 -0.07 0.02 0.00 0.00 177.57 178.36 1wh2 h LEU 70 N 1.27 0.90 0.65 2.57 4.07 -0.75 0.17 115.31 124.19 1wh2 h LEU 70 Ca 0.33 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.24 1wh2 h LEU 70 Cb -0.01 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 41.52 1wh2 h LEU 70 CO -0.06 0.63 -0.31 -0.09 -1.08 0.00 0.00 178.44 177.53 1wh2 h ARG 71 N 1.05 -0.84 -0.25 1.13 2.43 -0.99 -3.38 114.38 113.53 1wh2 h ARG 71 Ca 0.32 0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.57 1wh2 h ARG 71 Cb -0.01 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 1wh2 h ARG 71 CO -0.09 -0.52 0.08 -0.07 -1.51 0.00 0.00 179.97 177.86 1wh2 h LEU 72 N -1.13 0.08 -5.04 3.80 3.38 -0.42 -3.07 115.31 112.91 1wh2 h LEU 72 Ca -0.09 0.03 -0.64 0.00 0.09 0.00 0.00 57.88 57.26 1wh2 h LEU 72 Cb 0.70 0.02 0.03 0.00 0.09 0.00 0.00 40.66 41.50 1wh2 h LEU 72 CO 0.15 0.08 3.76 -1.20 0.09 0.00 0.00 178.44 181.31 1wh2 n SER 73 N -5.04 8.44 -4.10 -0.43 7.64 -0.02 -4.76 113.62 115.35 1wh2 n SER 73 Ca -0.02 -2.55 -0.10 0.00 1.01 0.00 0.00 58.87 57.22 1wh2 n SER 73 Cb 0.09 -1.52 -0.09 0.00 -1.01 0.00 0.00 64.21 61.68 1wh2 n SER 73 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh2 s GLY 74 N 2.28 0.89 0.08 0.23 0.00 -1.16 -4.95 107.32 104.69 1wh2 s GLY 74 Ca 0.67 -1.32 -0.31 0.00 0.00 0.00 0.00 44.72 43.77 1wh2 s GLY 74 CO -0.06 -1.19 1.35 2.56 0.00 0.00 0.00 173.10 175.76 1wh2 s PRO 75 N -4.04 4.34 0.28 2.90 0.04 -1.26 -4.98 135.00 132.28 1wh2 s PRO 75 Ca 0.24 1.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 1wh2 s PRO 75 Cb 0.06 -3.34 -0.11 0.00 0.04 0.00 0.00 34.50 31.16 1wh2 s PRO 75 CO 0.03 -0.42 1.49 -1.12 0.04 0.00 0.00 177.00 177.01 1wh2 s SER 76 N 1.25 6.53 0.00 6.66 0.01 -1.26 -4.77 113.70 122.13 1wh2 s SER 76 Ca 0.63 2.81 0.00 0.00 1.31 0.00 0.00 55.95 60.70 1wh2 s SER 76 Cb -0.34 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.26 1wh2 s SER 76 CO 0.29 -0.78 0.00 -0.24 0.41 0.00 0.00 173.24 172.92 1wh2 n SER 77 N 2.00 0.00 0.00 2.44 2.88 -1.26 -5.30 113.62 114.37 1wh2 n SER 77 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1wh2 n SER 77 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 1wh2 n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42