#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 0.82 0.36 1.61 1.04 -1.26 -5.18 113.70 111.09 1wh2 s SER 2 Ca 0.00 -1.24 0.03 0.00 0.48 0.00 0.00 55.95 55.22 1wh2 s SER 2 Cb 0.00 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 1wh2 s SER 2 CO 0.00 -0.67 0.54 -0.44 0.98 0.00 0.00 173.24 173.65 1wh2 s SER 3 N -3.15 6.05 0.00 7.02 0.01 -1.26 -5.10 113.70 117.27 1wh2 s SER 3 Ca 0.27 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1wh2 s SER 3 Cb 0.07 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.69 1wh2 s SER 3 CO 0.05 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1wh2 n GLY 4 N -1.79 0.73 2.40 3.44 0.00 -1.26 -5.04 105.19 103.67 1wh2 n GLY 4 Ca -0.02 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 1wh2 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wh2 n SER 5 N 0.00 7.76 -4.58 1.61 3.41 -1.26 -4.89 113.62 115.67 1wh2 n SER 5 Ca 0.00 -2.60 -0.42 0.00 -0.26 0.00 0.00 58.87 55.59 1wh2 n SER 5 Cb 0.00 -1.55 -0.02 0.00 -0.26 0.00 0.00 64.21 62.38 1wh2 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wh2 s SER 6 N 2.42 6.21 0.97 4.04 1.04 -1.26 -5.02 113.70 122.11 1wh2 s SER 6 Ca 0.65 0.37 -0.15 0.00 0.48 0.00 0.00 55.95 57.29 1wh2 s SER 6 Cb 0.17 -2.55 0.18 0.00 0.10 0.00 0.00 66.02 63.93 1wh2 s SER 6 CO -0.06 -1.62 1.20 -0.83 0.98 0.00 0.00 173.24 172.91 1wh2 s GLY 7 N 4.12 1.65 0.03 7.32 0.00 -1.26 -5.12 107.32 114.07 1wh2 s GLY 7 Ca 0.53 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1wh2 s GLY 7 CO 0.27 -0.17 0.00 3.33 0.00 0.00 0.00 173.10 176.53 1wh2 n VAL 8 N -3.91 0.00 -3.82 1.40 0.24 -1.26 -4.83 118.33 106.14 1wh2 n VAL 8 Ca 0.11 -0.16 -0.26 0.00 -2.04 0.00 0.00 64.34 61.99 1wh2 n VAL 8 Cb 0.60 0.04 0.01 0.00 -1.47 0.00 0.00 33.84 33.02 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 -0.07 -3.12 -4.16 7.34 1.74 -1.26 -5.02 116.66 112.11 1wh2 n ARG 9 Ca -0.01 0.47 -0.15 0.00 -0.77 0.00 0.00 57.85 57.39 1wh2 n ARG 9 Cb 0.04 -4.57 -0.11 0.00 -1.02 0.00 0.00 32.46 26.80 1wh2 n ARG 9 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wh2 s VAL 10 N -3.77 0.94 -0.02 1.55 0.11 -1.26 -5.16 120.40 112.80 1wh2 s VAL 10 Ca 0.13 -1.51 -0.10 0.00 -2.93 0.00 0.00 61.98 57.56 1wh2 s VAL 10 Cb -0.04 -1.22 0.01 0.00 -1.53 0.00 0.00 36.38 33.60 1wh2 s VAL 10 CO 0.86 -0.47 0.21 -1.48 -3.33 0.00 0.00 175.10 170.90 1wh2 s LEU 11 N -2.21 1.24 0.09 2.54 2.34 -1.26 -5.17 118.68 116.26 1wh2 s LEU 11 Ca 0.02 -0.01 0.01 0.00 0.06 0.00 0.00 54.13 54.22 1wh2 s LEU 11 Cb -0.05 0.90 -0.04 0.00 -0.56 0.00 0.00 46.19 46.44 1wh2 s LEU 11 CO 0.01 -0.36 -0.06 -0.44 -1.06 0.00 0.00 176.35 174.44 1wh2 s SER 12 N -1.16 1.06 -0.51 1.48 0.01 -1.26 -5.12 113.70 108.20 1wh2 s SER 12 Ca -0.12 -1.01 -0.14 0.00 1.31 0.00 0.00 55.95 55.98 1wh2 s SER 12 Cb -0.06 0.11 0.12 0.00 0.21 0.00 0.00 66.02 66.40 1wh2 s SER 12 CO 0.02 -0.49 0.45 -0.31 0.41 0.00 0.00 173.24 173.33 1wh2 s TYR 13 N -3.66 3.29 -0.06 2.43 1.51 -1.26 -5.05 117.35 114.54 1wh2 s TYR 13 Ca 0.12 -1.37 -0.30 0.00 -1.01 0.00 0.00 57.07 54.51 1wh2 s TYR 13 Cb 0.06 -3.63 -0.02 0.00 -0.11 0.00 0.00 41.96 38.26 1wh2 s TYR 13 CO -0.05 -0.98 0.99 0.34 -1.11 0.00 0.00 175.55 174.74 1wh2 s ASP 14 N 3.24 7.29 0.02 2.29 -1.08 -1.26 -4.93 116.67 122.25 1wh2 s ASP 14 Ca 0.04 1.58 0.22 0.00 -0.52 0.00 0.00 52.55 53.87 1wh2 s ASP 14 Cb -0.28 -2.56 -0.14 0.00 -1.46 0.00 0.00 42.92 38.48 1wh2 s ASP 14 CO 0.03 -0.36 0.83 2.29 0.52 0.00 0.00 175.17 178.48 1wh2 n LYS 15 N 4.51 0.36 -0.06 4.34 2.85 -1.26 -4.42 118.16 124.47 1wh2 n LYS 15 Ca 0.07 -0.06 -0.08 0.00 -1.05 0.00 0.00 58.31 57.20 1wh2 n LYS 15 Cb 0.50 -1.56 -0.08 0.00 -0.65 0.00 0.00 35.03 33.23 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 -1.99 1.29 -2.73 -1.58 -0.58 -1.26 -1.27 120.64 112.52 1wh2 n GLU 16 Ca 0.00 0.04 -0.35 0.00 -0.42 0.00 0.00 57.16 56.44 1wh2 n GLU 16 Cb 0.46 -1.30 -0.06 0.00 -0.57 0.00 0.00 31.44 29.98 1wh2 n GLU 16 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1wh2 s LYS 17 N -2.29 4.24 -0.71 3.49 -2.85 -1.26 -4.67 119.74 115.69 1wh2 s LYS 17 Ca -0.12 1.27 -0.26 0.00 -1.00 0.00 0.00 55.97 55.85 1wh2 s LYS 17 Cb 0.04 -2.37 0.00 0.00 -2.06 0.00 0.00 37.83 33.45 1wh2 s LYS 17 CO 0.41 -0.04 1.58 -0.51 0.10 0.00 0.00 175.35 176.89 1wh2 s LEU 18 N -2.88 3.24 0.00 2.77 2.01 -1.26 -4.06 118.68 118.49 1wh2 s LEU 18 Ca 0.59 -0.18 0.00 0.00 0.01 0.00 0.00 54.13 54.55 1wh2 s LEU 18 Cb -0.14 -2.55 0.00 0.00 0.01 0.00 0.00 46.19 43.51 1wh2 s LEU 18 CO 0.19 -2.10 0.13 0.59 1.01 0.00 0.00 176.35 176.16 1wh2 n ASN 19 N 11.06 0.12 -3.99 2.29 4.13 -0.67 -4.66 115.26 123.53 1wh2 n ASN 19 Ca 0.14 -1.02 -0.30 0.00 1.68 0.00 0.00 54.58 55.09 1wh2 n ASN 19 Cb 0.50 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.58 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 -0.02 2.11 0.38 3.10 0.52 -0.83 -1.79 118.94 122.41 1wh2 s TRP 20 Ca 0.00 -1.24 0.02 0.00 0.02 0.00 0.00 56.10 54.91 1wh2 s TRP 20 Cb 0.00 -1.54 -0.02 0.00 -1.15 0.00 0.00 33.47 30.76 1wh2 s TRP 20 CO 0.00 -0.66 0.57 -0.51 0.02 0.00 0.00 176.95 176.36 1wh2 s LEU 21 N 1.50 3.88 0.25 2.99 1.43 0.36 -0.75 118.68 128.34 1wh2 s LEU 21 Ca 0.03 0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 53.21 1wh2 s LEU 21 Cb -0.14 -3.09 -0.00 0.00 0.03 0.00 0.00 46.19 42.99 1wh2 s LEU 21 CO -0.10 -0.48 0.50 -0.72 0.23 0.00 0.00 176.35 175.79 1wh2 s TYR 22 N -2.36 0.32 -0.19 0.29 -0.85 -1.24 -1.71 117.35 111.61 1wh2 s TYR 22 Ca 0.44 -0.69 -0.04 0.00 -0.52 0.00 0.00 57.07 56.26 1wh2 s TYR 22 Cb -0.10 0.24 -0.02 0.00 0.38 0.00 0.00 41.96 42.46 1wh2 s TYR 22 CO 0.35 -1.02 -0.02 0.21 -1.52 0.00 0.00 175.55 173.55 1wh2 s LYS 23 N -4.00 3.59 0.87 -3.49 2.20 -1.26 -2.29 119.74 115.36 1wh2 s LYS 23 Ca 0.21 -0.54 -0.11 0.00 -0.36 0.00 0.00 55.97 55.17 1wh2 s LYS 23 Cb -0.01 -3.03 0.16 0.00 -1.51 0.00 0.00 37.83 33.44 1wh2 s LYS 23 CO 0.09 0.04 1.21 0.34 -0.36 0.00 0.00 175.35 176.67 1wh2 s ASP 24 N 0.91 3.65 0.48 1.43 2.15 -0.69 -4.95 116.67 119.66 1wh2 s ASP 24 Ca 0.01 0.16 0.32 0.00 0.43 0.00 0.00 52.55 53.47 1wh2 s ASP 24 Cb -0.14 -0.37 1.49 0.00 -0.30 0.00 0.00 42.92 43.60 1wh2 s ASP 24 CO 0.02 -2.37 1.97 1.55 -0.17 0.00 0.00 175.17 176.17 1wh2 h PRO 25 N -1.24 0.00 0.00 4.34 0.13 -2.01 -2.37 132.00 130.84 1wh2 h PRO 25 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1wh2 h PRO 25 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wh2 h PRO 25 CO 0.42 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 180.15 1wh2 h GLN 26 N 0.00 0.00 0.00 0.86 7.50 -2.02 -3.45 115.11 117.99 1wh2 h GLN 26 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1wh2 h GLN 26 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.83 1wh2 h GLN 26 CO 0.00 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.74 1wh2 n GLY 27 N -0.67 0.42 3.72 3.46 0.00 -0.89 -5.06 105.19 106.16 1wh2 n GLY 27 Ca -0.01 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 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 3.58 0.71 0.99 2.01 -1.26 -4.96 118.68 119.74 1wh2 s LEU 28 Ca 0.00 -0.16 -0.12 0.00 0.01 0.00 0.00 54.13 53.86 1wh2 s LEU 28 Cb 0.00 -2.27 0.02 0.00 0.01 0.00 0.00 46.19 43.95 1wh2 s LEU 28 CO 0.00 0.14 1.08 -0.69 1.01 0.00 0.00 176.35 177.89 1wh2 s VAL 29 N -1.47 3.68 0.13 -1.59 1.01 -1.26 -1.70 120.40 119.20 1wh2 s VAL 29 Ca 0.28 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.83 1wh2 s VAL 29 Cb -0.11 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1wh2 s VAL 29 CO 0.20 -0.67 0.07 -1.10 0.00 0.00 0.00 175.10 173.61 1wh2 s GLN 30 N -4.79 0.94 0.00 2.72 -1.52 -0.97 -4.88 119.66 111.15 1wh2 s GLN 30 Ca 0.61 -1.40 0.00 0.00 -1.95 0.00 0.00 55.36 52.61 1wh2 s GLN 30 Cb -0.16 0.25 0.00 0.00 -0.22 0.00 0.00 33.01 32.88 1wh2 s GLN 30 CO 0.52 -0.27 0.00 0.41 -0.25 0.00 0.00 175.29 175.70 1wh2 n GLY 31 N -0.10 0.45 3.60 3.09 0.00 -1.26 -3.65 105.19 107.33 1wh2 n GLY 31 Ca -0.06 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.28 0.19 1.61 0.04 -1.26 -5.07 135.00 130.23 1wh2 s PRO 32 Ca 0.00 0.52 0.04 0.00 0.04 0.00 0.00 61.00 61.59 1wh2 s PRO 32 Cb 0.00 -1.65 -0.05 0.00 0.04 0.00 0.00 34.50 32.84 1wh2 s PRO 32 CO 0.00 -3.21 -0.04 -0.06 0.04 0.00 0.00 177.00 173.73 1wh2 s PHE 33 N -2.81 1.43 0.55 0.56 0.08 0.07 -4.73 117.98 113.13 1wh2 s PHE 33 Ca 0.67 -0.86 -0.17 0.00 0.12 0.00 0.00 56.93 56.70 1wh2 s PHE 33 Cb -0.20 -0.79 -0.06 0.00 -0.57 0.00 0.00 43.02 41.41 1wh2 s PHE 33 CO 0.60 0.01 1.03 -1.54 -0.10 0.00 0.00 175.22 175.21 1wh2 s SER 34 N -3.25 6.15 0.32 1.36 1.04 -1.26 -1.68 113.70 116.39 1wh2 s SER 34 Ca 0.23 1.75 0.01 0.00 0.48 0.00 0.00 55.95 58.42 1wh2 s SER 34 Cb 0.04 -2.53 0.53 0.00 0.10 0.00 0.00 66.02 64.16 1wh2 s SER 34 CO 0.05 -0.91 1.92 -0.07 0.98 0.00 0.00 173.24 175.21 1wh2 h LEU 35 N 0.77 0.74 -0.07 2.42 3.38 -1.40 -1.57 115.31 119.59 1wh2 h LEU 35 Ca -0.47 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.46 1wh2 h LEU 35 Cb 1.21 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1wh2 h LEU 35 CO 0.59 0.63 -0.15 0.74 0.09 0.00 0.00 178.44 180.34 1wh2 h THR 36 N 0.82 0.62 0.09 0.22 2.02 -1.64 0.11 112.91 115.15 1wh2 h THR 36 Ca 0.20 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.38 1wh2 h THR 36 Cb 0.09 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1wh2 h THR 36 CO -0.03 0.00 -0.05 1.56 0.37 0.00 0.00 175.52 177.38 1wh2 h GLN 37 N -0.21 -0.12 -0.95 6.66 4.20 -1.75 -0.45 115.11 122.48 1wh2 h GLN 37 Ca 0.07 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.81 1wh2 h GLN 37 Cb 0.31 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 1wh2 h GLN 37 CO -0.19 0.01 0.63 -0.07 -0.67 0.00 0.00 178.83 178.53 1wh2 h LEU 38 N -0.22 1.06 -0.06 1.46 3.38 -1.15 -0.45 115.31 119.34 1wh2 h LEU 38 Ca -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1wh2 h LEU 38 Cb 0.19 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1wh2 h LEU 38 CO 0.02 0.75 0.03 0.50 0.09 0.00 0.00 178.44 179.83 1wh2 h LYS 39 N 1.24 0.08 0.00 1.13 3.64 -0.60 -1.26 116.57 120.80 1wh2 h LYS 39 Ca 0.37 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.69 1wh2 h LYS 39 Cb -0.07 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1wh2 h LYS 39 CO -0.10 0.12 -0.23 0.00 -2.27 0.00 0.00 179.45 176.97 1wh2 h ALA 40 N 0.96 1.51 0.07 5.00 0.00 -0.02 -0.36 119.26 126.41 1wh2 h ALA 40 Ca 0.02 -0.21 -0.25 0.00 0.00 0.00 0.00 54.91 54.47 1wh2 h ALA 40 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1wh2 h ALA 40 CO -0.00 0.29 -1.11 -1.49 0.00 0.00 0.00 179.25 176.94 1wh2 h TRP 41 N 0.00 0.49 -0.59 0.00 6.55 -1.03 -2.23 115.95 119.15 1wh2 h TRP 41 Ca -0.00 -0.32 0.00 0.00 0.95 0.00 0.00 58.89 59.52 1wh2 h TRP 41 Cb 0.44 -0.03 -0.03 0.00 -0.86 0.00 0.00 29.16 28.67 1wh2 h TRP 41 CO 0.00 1.20 0.38 1.03 -1.05 0.00 0.00 178.44 180.00 1wh2 h SER 42 N 0.12 0.68 -0.46 -3.49 0.87 -0.50 -0.94 113.55 109.84 1wh2 h SER 42 Ca -0.10 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1wh2 h SER 42 Cb 1.80 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 63.57 1wh2 h SER 42 CO 0.18 0.50 0.29 -0.78 -0.53 0.00 0.00 176.83 176.49 1wh2 h ASP 43 N 0.80 0.54 0.00 6.23 1.82 -0.96 -1.47 116.42 123.37 1wh2 h ASP 43 Ca 0.21 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1wh2 h ASP 43 Cb -0.08 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 39.79 1wh2 h ASP 43 CO -0.05 0.41 0.00 0.00 -1.61 0.00 0.00 179.24 177.99 1wh2 n ALA 44 N -2.23 2.46 -1.14 -0.78 0.00 -0.80 -4.90 120.51 113.12 1wh2 n ALA 44 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 1wh2 n ALA 44 Cb 0.04 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.48 -1.54 0.00 0.00 1.02 -0.48 -4.87 120.64 114.30 1wh2 n GLU 45 Ca 0.00 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1wh2 n GLU 45 Cb 0.01 -4.85 0.03 0.00 -0.02 0.00 0.00 31.44 26.61 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 -2.26 0.00 -4.15 -0.32 4.01 -0.50 -4.74 117.16 109.21 1wh2 n TYR 46 Ca -0.05 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.58 1wh2 n TYR 46 Cb 0.46 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.40 1wh2 n TYR 46 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1wh2 s PHE 47 N -2.00 0.96 0.26 -0.72 0.08 -1.26 -4.97 117.98 110.33 1wh2 s PHE 47 Ca 0.01 -1.22 -0.10 0.00 0.12 0.00 0.00 56.93 55.75 1wh2 s PHE 47 Cb 0.01 -0.38 -0.07 0.00 -0.57 0.00 0.00 43.02 42.00 1wh2 s PHE 47 CO 0.01 -0.72 0.59 0.95 -0.10 0.00 0.00 175.22 175.95 1wh2 s THR 48 N -4.12 4.89 -1.17 0.64 -4.23 -1.26 -4.97 115.64 105.42 1wh2 s THR 48 Ca 0.35 0.51 0.12 0.00 -1.18 0.00 0.00 61.69 61.48 1wh2 s THR 48 Cb 0.05 -3.63 0.14 0.00 1.34 0.00 0.00 72.50 70.40 1wh2 s THR 48 CO 0.11 -0.14 1.35 0.29 -0.54 0.00 0.00 174.62 175.68 1wh2 n LYS 49 N -0.33 0.07 -3.79 3.99 4.01 -1.26 -1.18 118.16 119.67 1wh2 n LYS 49 Ca 0.01 0.25 -0.29 0.00 -0.51 0.00 0.00 58.31 57.77 1wh2 n LYS 49 Cb 0.53 -1.50 -0.13 0.00 -0.51 0.00 0.00 35.03 33.42 1wh2 n LYS 49 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1wh2 s GLN 50 N -2.83 1.72 -0.14 1.97 -0.21 -1.26 -5.02 119.66 113.89 1wh2 s GLN 50 Ca 0.08 -2.51 -0.15 0.00 0.02 0.00 0.00 55.36 52.80 1wh2 s GLN 50 Cb 0.08 -2.77 -0.05 0.00 1.00 0.00 0.00 33.01 31.27 1wh2 s GLN 50 CO 0.20 -1.20 0.33 0.12 -2.12 0.00 0.00 175.29 172.63 1wh2 s PHE 51 N -0.29 3.49 0.20 0.91 5.36 -0.33 -5.03 117.98 122.30 1wh2 s PHE 51 Ca 0.21 0.68 0.07 0.00 -0.96 0.00 0.00 56.93 56.92 1wh2 s PHE 51 Cb -0.17 -2.37 -0.04 0.00 -0.34 0.00 0.00 43.02 40.10 1wh2 s PHE 51 CO -0.06 0.27 0.09 1.03 -1.46 0.00 0.00 175.22 175.09 1wh2 s ARG 52 N 0.34 2.68 0.04 10.12 3.00 -1.26 -0.60 118.95 133.26 1wh2 s ARG 52 Ca 0.19 -1.05 -0.01 0.00 0.00 0.00 0.00 55.73 54.85 1wh2 s ARG 52 Cb -0.14 -2.48 -0.03 0.00 0.00 0.00 0.00 34.95 32.30 1wh2 s ARG 52 CO 0.06 0.44 -0.02 0.14 0.00 0.00 0.00 175.30 175.92 1wh2 s VAL 53 N -1.90 0.19 0.04 3.52 -7.23 -0.00 -4.71 120.40 110.31 1wh2 s VAL 53 Ca 0.30 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 1wh2 s VAL 53 Cb -0.09 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 1wh2 s VAL 53 CO 0.22 -0.86 -0.04 -1.66 -0.31 0.00 0.00 175.10 172.45 1wh2 s TRP 54 N -3.31 0.47 0.63 2.82 -2.14 -0.69 -0.70 118.94 116.01 1wh2 s TRP 54 Ca 0.01 -0.77 -0.12 0.00 2.66 0.00 0.00 56.10 57.88 1wh2 s TRP 54 Cb 0.03 -0.32 -0.03 0.00 -3.10 0.00 0.00 33.47 30.05 1wh2 s TRP 54 CO -0.08 -0.25 1.04 -1.64 -2.66 0.00 0.00 176.95 173.36 1wh2 s MET 55 N -2.63 3.38 -0.40 3.25 -1.94 -1.26 -0.49 119.30 119.20 1wh2 s MET 55 Ca -0.04 0.92 -0.27 0.00 -1.71 0.00 0.00 55.69 54.59 1wh2 s MET 55 Cb -0.02 -2.05 -0.04 0.00 2.01 0.00 0.00 34.83 34.74 1wh2 s MET 55 CO -0.05 -0.75 2.03 0.95 -0.01 0.00 0.00 175.02 177.20 1wh2 s THR 56 N -2.94 3.25 0.00 2.05 -4.23 -0.74 -1.42 115.64 111.61 1wh2 s THR 56 Ca 0.58 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 1wh2 s THR 56 Cb -0.13 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.28 1wh2 s THR 56 CO 0.48 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 1wh2 n GLY 57 N 5.68 1.78 3.68 3.99 0.00 -1.26 -5.10 105.19 113.96 1wh2 n GLY 57 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.17 -0.08 0.40 1.61 0.41 -0.50 -5.07 118.70 115.30 1wh2 s GLU 58 Ca 0.00 0.18 -0.02 0.00 -0.41 0.00 0.00 54.97 54.72 1wh2 s GLU 58 Cb 0.00 -1.71 -0.03 0.00 -1.78 0.00 0.00 34.13 30.61 1wh2 s GLU 58 CO 0.00 -3.00 0.64 0.45 -0.49 0.00 0.00 175.26 172.86 1wh2 s SER 59 N -3.83 6.25 0.31 -0.19 0.15 -1.26 -4.95 113.70 110.19 1wh2 s SER 59 Ca 0.68 0.61 0.06 0.00 0.70 0.00 0.00 55.95 58.00 1wh2 s SER 59 Cb -0.14 -2.08 0.52 0.00 -1.71 0.00 0.00 66.02 62.62 1wh2 s SER 59 CO 0.56 -0.42 1.76 -0.03 1.20 0.00 0.00 173.24 176.31 1wh2 h MET 60 N 0.54 0.31 0.00 5.44 4.05 -1.97 -1.98 114.93 121.31 1wh2 h MET 60 Ca -0.49 -0.12 -0.03 0.00 -0.28 0.00 0.00 59.70 58.79 1wh2 h MET 60 Cb 1.22 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.99 1wh2 h MET 60 CO 0.61 0.58 -0.12 0.93 0.23 0.00 0.00 176.91 179.14 1wh2 h GLU 61 N 0.27 0.00 0.00 0.39 5.08 -2.01 -0.99 114.58 117.33 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 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1wh2 h GLU 61 CO 0.05 0.12 0.00 0.43 -1.00 0.00 0.00 179.01 178.61 1wh2 n SER 62 N -4.03 0.00 -4.74 1.42 7.64 -0.74 -4.87 113.62 108.29 1wh2 n SER 62 Ca -0.02 -0.91 -0.36 0.00 1.01 0.00 0.00 58.87 58.58 1wh2 n SER 62 Cb 0.21 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.46 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 -2.00 2.45 0.19 -0.43 0.00 -0.38 -4.85 121.76 116.75 1wh2 s ALA 63 Ca 0.23 1.11 0.09 0.00 0.00 0.00 0.00 51.96 53.39 1wh2 s ALA 63 Cb 0.11 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1wh2 s ALA 63 CO 0.18 -1.39 -0.18 0.14 0.00 0.00 0.00 175.76 174.51 1wh2 s VAL 64 N -1.50 1.91 0.14 0.00 -7.23 0.12 -4.88 120.40 108.97 1wh2 s VAL 64 Ca 0.80 -2.08 -0.31 0.00 -1.81 0.00 0.00 61.98 58.57 1wh2 s VAL 64 Cb -0.34 -1.98 -0.10 0.00 0.56 0.00 0.00 36.38 34.51 1wh2 s VAL 64 CO 0.37 -0.41 1.74 -0.76 -0.31 0.00 0.00 175.10 175.73 1wh2 s LEU 65 N -2.99 4.38 0.53 1.32 1.43 -1.26 -0.82 118.68 121.27 1wh2 s LEU 65 Ca 0.20 2.73 0.27 0.00 -1.03 0.00 0.00 54.13 56.30 1wh2 s LEU 65 Cb -0.04 -3.58 1.41 0.00 0.03 0.00 0.00 46.19 44.01 1wh2 s LEU 65 CO 0.08 -0.96 1.96 0.25 0.23 0.00 0.00 176.35 177.92 1wh2 h LEU 66 N 7.91 0.01 -1.23 1.79 5.85 -1.17 -0.30 115.31 128.17 1wh2 h LEU 66 Ca -0.44 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 1wh2 h LEU 66 Cb 1.21 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1wh2 h LEU 66 CO 0.94 0.01 -0.27 0.74 -0.34 0.00 0.00 178.44 179.52 1wh2 h THR 67 N 0.01 1.24 0.06 1.05 2.02 -1.90 0.20 112.91 115.60 1wh2 h THR 67 Ca 0.31 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1wh2 h THR 67 Cb 1.20 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1wh2 h THR 67 CO -0.01 0.33 -0.03 -0.78 0.37 0.00 0.00 175.52 175.40 1wh2 h ASP 68 N 0.17 -0.07 -0.69 4.18 3.58 -1.43 -3.00 116.42 119.15 1wh2 h ASP 68 Ca 0.03 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.14 1wh2 h ASP 68 Cb 0.57 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.60 1wh2 h ASP 68 CO 0.04 0.30 0.42 0.58 -2.88 0.00 0.00 179.24 177.70 1wh2 h VAL 69 N -0.46 1.20 -0.24 2.25 2.07 -1.27 -1.21 116.25 118.59 1wh2 h VAL 69 Ca -0.01 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1wh2 h VAL 69 Cb 0.40 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 1wh2 h VAL 69 CO 0.01 0.21 -0.23 -0.07 0.02 0.00 0.00 177.57 177.51 1wh2 h LEU 70 N 0.97 -0.75 -0.24 2.57 4.07 -0.95 0.57 115.31 121.54 1wh2 h LEU 70 Ca 0.25 0.14 -0.01 0.00 0.08 0.00 0.00 57.88 58.34 1wh2 h LEU 70 Cb -0.03 0.36 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1wh2 h LEU 70 CO -0.05 -0.27 0.11 -0.09 -1.08 0.00 0.00 178.44 177.06 1wh2 h ARG 71 N -0.24 0.36 -0.19 1.13 2.43 -1.23 -3.02 114.38 113.61 1wh2 h ARG 71 Ca 0.14 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1wh2 h ARG 71 Cb 0.45 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1wh2 h ARG 71 CO -0.38 0.37 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.35 1wh2 h LEU 72 N 0.26 0.25 -0.83 3.80 3.38 -0.74 -1.88 115.31 119.55 1wh2 h LEU 72 Ca 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1wh2 h LEU 72 Cb 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1wh2 h LEU 72 CO -0.01 0.34 0.00 -0.24 0.09 0.00 0.00 178.44 178.62 1wh2 n SER 73 N -4.34 1.25 -4.60 -0.43 2.88 0.15 -4.85 113.62 103.67 1wh2 n SER 73 Ca -0.00 -1.62 -0.25 0.00 -1.33 0.00 0.00 58.87 55.67 1wh2 n SER 73 Cb 0.21 -0.07 -0.08 0.00 -0.75 0.00 0.00 64.21 63.51 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 -1.59 1.71 1.03 0.46 0.00 -0.71 -5.06 107.32 103.16 1wh2 s GLY 74 Ca 0.32 -1.59 -0.12 0.00 0.00 0.00 0.00 44.72 43.32 1wh2 s GLY 74 CO 0.25 -1.64 1.07 2.56 0.00 0.00 0.00 173.10 175.35 1wh2 s PRO 75 N -3.30 0.19 0.25 2.90 0.04 -1.26 -4.95 135.00 128.87 1wh2 s PRO 75 Ca 0.29 0.78 -0.31 0.00 0.04 0.00 0.00 61.00 61.80 1wh2 s PRO 75 Cb -0.07 -1.69 -0.13 0.00 0.04 0.00 0.00 34.50 32.65 1wh2 s PRO 75 CO 0.17 -2.96 1.36 -1.13 0.04 0.00 0.00 177.00 174.48 1wh2 n SER 76 N -4.38 2.58 -4.56 6.66 3.41 -1.26 -4.86 113.62 111.21 1wh2 n SER 76 Ca 0.05 1.15 -0.37 0.00 -0.26 0.00 0.00 58.87 59.45 1wh2 n SER 76 Cb 0.55 -1.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.06 1wh2 n SER 76 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wh2 s SER 77 N 0.15 6.10 0.00 4.04 0.15 -1.26 -5.27 113.70 117.61 1wh2 s SER 77 Ca 0.66 -1.43 0.00 0.00 0.70 0.00 0.00 55.95 55.89 1wh2 s SER 77 Cb -0.66 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.08 1wh2 s SER 77 CO 0.52 -1.88 0.00 0.61 1.20 0.00 0.00 173.24 173.68