#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 -5.75 -3.71 1.61 7.64 -1.26 -5.01 113.62 107.15 1wh2 n SER 2 Ca 0.00 -0.91 -0.12 0.00 1.01 0.00 0.00 58.87 58.85 1wh2 n SER 2 Cb 0.00 -3.83 -0.07 0.00 -1.01 0.00 0.00 64.21 59.30 1wh2 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh2 s SER 3 N -3.41 -0.20 -1.07 6.43 0.15 -1.26 -5.10 113.70 109.24 1wh2 s SER 3 Ca 0.44 -0.12 -0.22 0.00 0.70 0.00 0.00 55.95 56.75 1wh2 s SER 3 Cb -0.13 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.59 1wh2 s SER 3 CO 0.83 -0.66 1.66 -0.83 1.20 0.00 0.00 173.24 175.44 1wh2 s GLY 4 N -2.11 1.01 0.30 9.45 0.00 -1.26 -4.89 107.32 109.81 1wh2 s GLY 4 Ca -0.04 -2.23 0.03 0.00 0.00 0.00 0.00 44.72 42.48 1wh2 s GLY 4 CO -0.04 2.95 0.28 -0.45 0.00 0.00 0.00 173.10 175.84 1wh2 s SER 5 N 5.62 1.10 0.83 1.64 0.15 -1.26 -5.17 113.70 116.60 1wh2 s SER 5 Ca 0.55 -1.59 -0.12 0.00 0.70 0.00 0.00 55.95 55.49 1wh2 s SER 5 Cb -0.01 0.53 0.10 0.00 -1.71 0.00 0.00 66.02 64.94 1wh2 s SER 5 CO -0.02 -1.05 1.19 -0.44 1.20 0.00 0.00 173.24 174.12 1wh2 s SER 6 N -3.28 4.24 0.36 5.45 0.01 -1.26 -5.13 113.70 114.09 1wh2 s SER 6 Ca 0.38 0.61 0.04 0.00 1.31 0.00 0.00 55.95 58.28 1wh2 s SER 6 Cb 0.03 -1.02 -0.05 0.00 0.21 0.00 0.00 66.02 65.19 1wh2 s SER 6 CO 0.22 -2.04 0.07 -0.83 0.41 0.00 0.00 173.24 171.07 1wh2 s GLY 7 N -4.64 2.27 -0.52 3.44 0.00 -1.26 -5.11 107.32 101.50 1wh2 s GLY 7 Ca 0.64 -1.75 -0.19 0.00 0.00 0.00 0.00 44.72 43.42 1wh2 s GLY 7 CO 0.49 -1.84 0.63 -1.34 0.00 0.00 0.00 173.10 171.04 1wh2 s VAL 8 N -3.25 4.88 -1.12 1.40 -7.23 -1.26 -4.55 120.40 109.27 1wh2 s VAL 8 Ca 0.32 -0.61 -0.05 0.00 -1.81 0.00 0.00 61.98 59.82 1wh2 s VAL 8 Cb 0.07 -4.33 0.05 0.00 0.56 0.00 0.00 36.38 32.73 1wh2 s VAL 8 CO 0.15 -0.85 0.12 0.54 -0.31 0.00 0.00 175.10 174.75 1wh2 n ARG 9 N 6.15 -0.91 -1.95 4.82 1.74 -1.26 -4.82 116.66 120.43 1wh2 n ARG 9 Ca -0.07 0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.65 1wh2 n ARG 9 Cb 0.45 -2.65 -0.03 0.00 -1.02 0.00 0.00 32.46 29.21 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 -3.50 3.48 -0.45 1.55 1.01 -1.26 -4.91 120.40 116.31 1wh2 s VAL 10 Ca 0.17 0.57 0.06 0.00 0.00 0.00 0.00 61.98 62.78 1wh2 s VAL 10 Cb -0.10 -3.40 0.21 0.00 0.00 0.00 0.00 36.38 33.08 1wh2 s VAL 10 CO 0.68 -0.09 0.46 0.18 0.00 0.00 0.00 175.10 176.33 1wh2 n LEU 11 N 7.64 0.49 -4.89 3.92 4.77 -1.26 -5.08 117.00 122.59 1wh2 n LEU 11 Ca 0.19 -4.67 -0.30 0.00 -0.03 0.00 0.00 56.01 51.19 1wh2 n LEU 11 Cb 0.43 0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 41.82 1wh2 n LEU 11 CO 0.64 1.94 0.22 -0.44 -1.33 0.00 0.00 177.39 178.42 1wh2 s SER 12 N -0.77 6.53 -0.66 -1.43 0.01 -1.26 -5.06 113.70 111.06 1wh2 s SER 12 Ca 0.33 0.83 -0.26 0.00 1.31 0.00 0.00 55.95 58.16 1wh2 s SER 12 Cb 0.09 -2.19 0.04 0.00 0.21 0.00 0.00 66.02 64.16 1wh2 s SER 12 CO -0.15 -0.14 1.16 -0.31 0.41 0.00 0.00 173.24 174.21 1wh2 s TYR 13 N -1.96 2.50 0.15 2.43 2.02 -1.26 -5.02 117.35 116.21 1wh2 s TYR 13 Ca 0.46 0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.87 1wh2 s TYR 13 Cb -0.11 -4.48 -0.07 0.00 -0.40 0.00 0.00 41.96 36.90 1wh2 s TYR 13 CO 0.26 -1.78 1.18 0.34 -1.57 0.00 0.00 175.55 173.97 1wh2 s ASP 14 N 3.39 7.12 0.20 2.29 2.15 -1.26 -4.95 116.67 125.61 1wh2 s ASP 14 Ca 0.35 2.14 0.24 0.00 0.43 0.00 0.00 52.55 55.71 1wh2 s ASP 14 Cb -0.10 -2.60 0.30 0.00 -0.30 0.00 0.00 42.92 40.22 1wh2 s ASP 14 CO 0.18 -0.36 1.34 0.11 -0.17 0.00 0.00 175.17 176.26 1wh2 h LYS 15 N 5.64 0.00 0.00 4.34 1.79 -1.98 -3.42 116.57 122.94 1wh2 h LYS 15 Ca -0.44 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.97 1wh2 h LYS 15 Cb 1.21 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.85 1wh2 h LYS 15 CO 0.76 0.00 -1.41 0.39 -1.08 0.00 0.00 179.45 178.11 1wh2 n GLU 16 N -2.44 1.46 -3.40 3.15 1.02 -1.26 -1.40 120.64 117.78 1wh2 n GLU 16 Ca 0.03 -0.04 -0.32 0.00 -0.02 0.00 0.00 57.16 56.81 1wh2 n GLU 16 Cb 0.48 -1.18 -0.05 0.00 -0.02 0.00 0.00 31.44 30.67 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 -2.36 3.79 -0.74 3.49 -2.85 -1.26 -4.80 119.74 115.02 1wh2 s LYS 17 Ca -0.03 0.27 -0.27 0.00 -1.00 0.00 0.00 55.97 54.94 1wh2 s LYS 17 Cb 0.04 -2.64 0.03 0.00 -2.06 0.00 0.00 37.83 33.20 1wh2 s LYS 17 CO 0.30 0.30 1.31 -0.51 0.10 0.00 0.00 175.35 176.86 1wh2 s LEU 18 N -2.89 3.17 0.00 2.77 2.01 -1.26 -4.00 118.68 118.48 1wh2 s LEU 18 Ca 0.47 -0.42 0.00 0.00 0.01 0.00 0.00 54.13 54.19 1wh2 s LEU 18 Cb -0.11 -2.56 0.00 0.00 0.01 0.00 0.00 46.19 43.53 1wh2 s LEU 18 CO 0.22 -1.86 0.38 0.59 1.01 0.00 0.00 176.35 176.68 1wh2 n ASN 19 N 9.55 0.16 -4.02 2.29 4.13 -0.62 -4.64 115.26 122.11 1wh2 n ASN 19 Ca 0.04 -1.06 -0.25 0.00 1.68 0.00 0.00 54.58 54.99 1wh2 n ASN 19 Cb 0.49 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.57 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 -0.06 1.45 0.21 3.10 0.52 -0.90 -1.69 118.94 121.57 1wh2 s TRP 20 Ca 0.00 -0.54 0.08 0.00 0.02 0.00 0.00 56.10 55.66 1wh2 s TRP 20 Cb 0.00 -1.07 -0.04 0.00 -1.15 0.00 0.00 33.47 31.21 1wh2 s TRP 20 CO 0.00 -0.28 0.03 -0.51 0.02 0.00 0.00 176.95 176.21 1wh2 s LEU 21 N 0.70 3.38 -0.00 2.99 1.43 0.42 -0.67 118.68 126.93 1wh2 s LEU 21 Ca -0.14 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.40 1wh2 s LEU 21 Cb -0.16 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.10 1wh2 s LEU 21 CO 0.03 0.05 0.27 -0.72 0.23 0.00 0.00 176.35 176.21 1wh2 s TYR 22 N -1.94 -0.13 -0.37 0.29 -0.85 -1.20 -1.61 117.35 111.54 1wh2 s TYR 22 Ca 0.29 0.15 -0.22 0.00 -0.52 0.00 0.00 57.07 56.78 1wh2 s TYR 22 Cb -0.08 0.07 0.01 0.00 0.38 0.00 0.00 41.96 42.33 1wh2 s TYR 22 CO 0.20 -0.38 0.69 0.21 -1.52 0.00 0.00 175.55 174.75 1wh2 s LYS 23 N -1.48 3.68 0.91 -3.49 2.20 -1.26 -0.68 119.74 119.63 1wh2 s LYS 23 Ca -0.13 0.12 -0.11 0.00 -0.36 0.00 0.00 55.97 55.49 1wh2 s LYS 23 Cb -0.05 -3.82 0.14 0.00 -1.51 0.00 0.00 37.83 32.59 1wh2 s LYS 23 CO 0.03 -0.80 1.09 0.34 -0.36 0.00 0.00 175.35 175.65 1wh2 s ASP 24 N 1.83 3.26 0.62 1.43 2.15 -0.02 -4.88 116.67 121.06 1wh2 s ASP 24 Ca 0.27 1.57 0.34 0.00 0.43 0.00 0.00 52.55 55.16 1wh2 s ASP 24 Cb -0.14 -2.24 1.90 0.00 -0.30 0.00 0.00 42.92 42.14 1wh2 s ASP 24 CO 0.16 -2.79 2.18 -0.65 -0.17 0.00 0.00 175.17 173.90 1wh2 h PRO 25 N -1.65 0.00 0.00 4.34 0.11 -1.98 0.72 132.00 133.54 1wh2 h PRO 25 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1wh2 h PRO 25 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1wh2 h PRO 25 CO 0.53 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.36 1wh2 n GLN 26 N -3.48 0.18 -0.03 1.05 6.02 -1.26 -4.92 117.38 114.94 1wh2 n GLN 26 Ca -0.01 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1wh2 n GLN 26 Cb 0.22 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.98 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 1.81 3.70 1.08 0.00 0.25 -5.02 105.19 107.78 1wh2 n GLY 27 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 4.37 -0.34 0.99 2.01 -1.26 -4.75 118.68 119.70 1wh2 s LEU 28 Ca 0.00 2.60 -0.29 0.00 0.01 0.00 0.00 54.13 56.45 1wh2 s LEU 28 Cb 0.00 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.63 1wh2 s LEU 28 CO 0.00 -0.89 1.34 -0.69 1.01 0.00 0.00 176.35 177.12 1wh2 s VAL 29 N 2.05 4.05 0.52 -1.59 1.01 -1.26 -0.84 120.40 124.35 1wh2 s VAL 29 Ca 0.74 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.88 1wh2 s VAL 29 Cb -0.43 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 31.80 1wh2 s VAL 29 CO 0.32 -0.58 0.74 -1.10 0.00 0.00 0.00 175.10 174.48 1wh2 s GLN 30 N 4.45 2.67 1.02 2.72 -1.52 0.14 -4.97 119.66 124.18 1wh2 s GLN 30 Ca 0.58 -0.75 0.00 0.00 -1.95 0.00 0.00 55.36 53.24 1wh2 s GLN 30 Cb -0.16 -2.52 0.00 0.00 -0.22 0.00 0.00 33.01 30.11 1wh2 s GLN 30 CO 0.27 -0.59 0.00 0.41 -0.25 0.00 0.00 175.29 175.13 1wh2 n GLY 31 N -2.25 -1.80 3.88 3.09 0.00 -1.26 -3.22 105.19 103.62 1wh2 n GLY 31 Ca 0.06 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 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 1.93 0.16 1.61 0.04 -1.26 -5.03 135.00 132.45 1wh2 s PRO 32 Ca 0.00 0.19 0.03 0.00 0.04 0.00 0.00 61.00 61.26 1wh2 s PRO 32 Cb 0.00 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1wh2 s PRO 32 CO 0.00 -1.63 -0.05 -0.06 0.04 0.00 0.00 177.00 175.30 1wh2 s PHE 33 N -3.50 1.20 0.43 0.56 0.08 0.16 -4.78 117.98 112.14 1wh2 s PHE 33 Ca 0.62 -0.90 -0.19 0.00 0.12 0.00 0.00 56.93 56.58 1wh2 s PHE 33 Cb -0.12 -0.67 -0.10 0.00 -0.57 0.00 0.00 43.02 41.57 1wh2 s PHE 33 CO 0.50 -0.08 0.92 -1.54 -0.10 0.00 0.00 175.22 174.92 1wh2 s SER 34 N -3.16 6.83 0.43 1.36 1.04 -1.26 -1.59 113.70 117.35 1wh2 s SER 34 Ca 0.20 1.58 0.12 0.00 0.48 0.00 0.00 55.95 58.33 1wh2 s SER 34 Cb 0.05 -2.50 0.95 0.00 0.10 0.00 0.00 66.02 64.61 1wh2 s SER 34 CO 0.02 -0.39 1.99 -0.07 0.98 0.00 0.00 173.24 175.77 1wh2 h LEU 35 N 1.70 0.13 -0.48 2.42 3.38 -1.56 -0.62 115.31 120.28 1wh2 h LEU 35 Ca -0.48 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.49 1wh2 h LEU 35 Cb 1.18 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1wh2 h LEU 35 CO 0.62 0.25 0.28 0.74 0.09 0.00 0.00 178.44 180.41 1wh2 h THR 36 N 0.14 1.03 -0.39 0.22 2.02 -1.60 0.15 112.91 114.48 1wh2 h THR 36 Ca 0.03 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 1wh2 h THR 36 Cb 0.26 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1wh2 h THR 36 CO 0.01 0.10 -0.14 1.56 0.37 0.00 0.00 175.52 177.42 1wh2 h GLN 37 N 0.55 0.79 -0.43 6.66 4.20 -1.50 -1.24 115.11 124.14 1wh2 h GLN 37 Ca 0.20 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1wh2 h GLN 37 Cb 0.04 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1wh2 h GLN 37 CO -0.10 0.95 0.03 -0.07 -0.67 0.00 0.00 178.83 178.97 1wh2 h LEU 38 N 0.60 0.71 0.01 1.46 3.38 -0.98 -0.13 115.31 120.36 1wh2 h LEU 38 Ca 0.09 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1wh2 h LEU 38 Cb 0.68 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1wh2 h LEU 38 CO 0.05 0.83 -0.22 0.50 0.09 0.00 0.00 178.44 179.68 1wh2 h LYS 39 N 0.58 -0.34 0.00 1.13 3.64 -0.70 0.23 116.57 121.10 1wh2 h LYS 39 Ca 0.12 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1wh2 h LYS 39 Cb 0.44 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1wh2 h LYS 39 CO 0.02 -0.23 -0.05 0.00 -2.27 0.00 0.00 179.45 176.92 1wh2 h ALA 40 N 0.50 1.75 0.01 5.00 0.00 -0.80 0.53 119.26 126.25 1wh2 h ALA 40 Ca 0.06 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1wh2 h ALA 40 Cb 0.43 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1wh2 h ALA 40 CO -0.20 0.06 -1.29 -1.49 0.00 0.00 0.00 179.25 176.33 1wh2 h TRP 41 N 0.00 0.03 -0.22 0.00 6.55 -0.59 -0.53 115.95 121.19 1wh2 h TRP 41 Ca -0.00 -0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.82 1wh2 h TRP 41 Cb 0.09 -0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.38 1wh2 h TRP 41 CO 0.00 1.02 0.13 1.03 -1.05 0.00 0.00 178.44 179.57 1wh2 h SER 42 N 0.00 0.26 -0.98 -3.49 0.87 -0.28 0.57 113.55 110.51 1wh2 h SER 42 Ca -0.13 -0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.43 1wh2 h SER 42 Cb 1.88 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 63.71 1wh2 h SER 42 CO 0.11 0.24 0.64 -0.78 -0.53 0.00 0.00 176.83 176.51 1wh2 h ASP 43 N 0.26 1.05 -0.12 6.23 1.82 -0.92 -0.55 116.42 124.19 1wh2 h ASP 43 Ca 0.08 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1wh2 h ASP 43 Cb 0.02 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 39.80 1wh2 h ASP 43 CO -0.01 0.71 0.00 0.00 -1.61 0.00 0.00 179.24 178.32 1wh2 n ALA 44 N -2.37 2.48 -1.95 -0.78 0.00 -0.21 -4.93 120.51 112.76 1wh2 n ALA 44 Ca 0.14 -0.22 -0.20 0.00 0.00 0.00 0.00 53.44 53.16 1wh2 n ALA 44 Cb 0.12 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.14 -1.57 0.00 0.00 1.02 -0.22 -4.88 120.64 114.86 1wh2 n GLU 45 Ca 0.04 1.11 0.08 0.00 -0.02 0.00 0.00 57.16 58.37 1wh2 n GLU 45 Cb 0.11 -5.62 0.47 0.00 -0.02 0.00 0.00 31.44 26.38 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 -3.07 0.00 -4.42 -0.32 4.01 0.09 -4.88 117.16 108.57 1wh2 n TYR 46 Ca -0.22 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.30 1wh2 n TYR 46 Cb 0.68 -0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 39.62 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 -1.03 0.03 -4.51 -0.72 3.72 -1.26 -5.01 117.46 108.68 1wh2 n PHE 47 Ca 0.12 -2.34 -0.25 0.00 -0.05 0.00 0.00 57.45 54.93 1wh2 n PHE 47 Cb 0.06 0.03 -0.10 0.00 -0.94 0.00 0.00 39.48 38.52 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 -2.94 2.14 0.57 4.37 -4.23 -1.26 -5.03 115.64 109.26 1wh2 s THR 48 Ca 0.20 -2.22 0.25 0.00 -1.18 0.00 0.00 61.69 58.75 1wh2 s THR 48 Cb 0.01 -2.55 0.33 0.00 1.34 0.00 0.00 72.50 71.62 1wh2 s THR 48 CO 0.14 -0.25 2.21 0.11 -0.54 0.00 0.00 174.62 176.29 1wh2 h LYS 49 N 2.11 0.00 -0.74 3.99 6.56 -2.02 -2.32 116.57 124.16 1wh2 h LYS 49 Ca -0.41 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 58.64 1wh2 h LYS 49 Cb 1.25 0.00 -0.42 0.00 -0.57 0.00 0.00 32.23 32.48 1wh2 h LYS 49 CO 0.68 0.00 -0.82 1.04 -2.06 0.00 0.00 179.45 178.30 1wh2 n GLN 50 N -4.08 3.59 -2.39 3.15 3.00 -1.26 -4.96 117.38 114.43 1wh2 n GLN 50 Ca -0.03 -4.16 -0.42 0.00 -0.01 0.00 0.00 57.00 52.38 1wh2 n GLN 50 Cb 0.10 -2.27 -0.02 0.00 0.00 0.00 0.00 30.24 28.04 1wh2 n GLN 50 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1wh2 s PHE 51 N -3.60 2.37 0.45 1.08 5.36 -0.87 -5.02 117.98 117.76 1wh2 s PHE 51 Ca 0.51 0.58 0.03 0.00 -0.96 0.00 0.00 56.93 57.09 1wh2 s PHE 51 Cb 0.41 -4.36 0.01 0.00 -0.34 0.00 0.00 43.02 38.74 1wh2 s PHE 51 CO 0.04 -1.93 0.65 1.03 -1.46 0.00 0.00 175.22 173.55 1wh2 s ARG 52 N 5.20 2.87 0.03 10.12 3.00 -1.26 -1.58 118.95 137.33 1wh2 s ARG 52 Ca 0.56 -0.82 -0.05 0.00 0.00 0.00 0.00 55.73 55.42 1wh2 s ARG 52 Cb -0.12 -2.62 -0.01 0.00 0.00 0.00 0.00 34.95 32.20 1wh2 s ARG 52 CO 0.29 -0.35 0.08 0.14 0.00 0.00 0.00 175.30 175.46 1wh2 s VAL 53 N -2.51 0.12 0.27 3.52 -7.23 -0.10 -4.77 120.40 109.70 1wh2 s VAL 53 Ca 0.52 -1.00 0.12 0.00 -1.81 0.00 0.00 61.98 59.80 1wh2 s VAL 53 Cb -0.10 -0.71 -0.05 0.00 0.56 0.00 0.00 36.38 36.08 1wh2 s VAL 53 CO 0.36 -0.55 -0.19 -1.66 -0.31 0.00 0.00 175.10 172.74 1wh2 s TRP 54 N -2.20 2.23 0.64 2.82 -2.14 -0.64 -0.75 118.94 118.90 1wh2 s TRP 54 Ca -0.08 -0.36 -0.15 0.00 2.66 0.00 0.00 56.10 58.17 1wh2 s TRP 54 Cb -0.04 -0.97 -0.01 0.00 -3.10 0.00 0.00 33.47 29.35 1wh2 s TRP 54 CO -0.03 0.68 1.10 -1.64 -2.66 0.00 0.00 176.95 174.40 1wh2 s MET 55 N -3.51 2.92 0.32 3.25 -1.94 -1.26 -0.44 119.30 118.64 1wh2 s MET 55 Ca 0.29 1.33 -0.29 0.00 -1.71 0.00 0.00 55.69 55.31 1wh2 s MET 55 Cb -0.05 -1.97 -0.12 0.00 2.01 0.00 0.00 34.83 34.70 1wh2 s MET 55 CO 0.14 -1.14 1.44 0.25 -0.01 0.00 0.00 175.02 175.70 1wh2 n THR 56 N -2.35 1.57 -0.95 2.05 -2.24 -0.68 -1.81 114.28 109.87 1wh2 n THR 56 Ca 0.10 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1wh2 n THR 56 Cb 0.52 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.99 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 1.27 0.51 3.75 3.38 0.00 -1.26 -5.03 105.19 107.81 1wh2 n GLY 57 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.41 2.23 0.42 1.61 2.02 -0.75 -5.13 118.70 118.68 1wh2 s GLU 58 Ca 0.00 -1.86 -0.22 0.00 0.02 0.00 0.00 54.97 52.91 1wh2 s GLU 58 Cb 0.00 -1.98 -0.10 0.00 0.10 0.00 0.00 34.13 32.14 1wh2 s GLU 58 CO 0.00 -0.14 0.97 -1.12 0.02 0.00 0.00 175.26 174.98 1wh2 s SER 59 N -3.92 6.93 0.44 -0.19 0.01 -1.26 -4.85 113.70 110.85 1wh2 s SER 59 Ca 0.40 1.76 0.14 0.00 1.31 0.00 0.00 55.95 59.56 1wh2 s SER 59 Cb 0.03 -2.55 0.96 0.00 0.21 0.00 0.00 66.02 64.68 1wh2 s SER 59 CO 0.22 -0.37 1.98 -0.03 0.41 0.00 0.00 173.24 175.45 1wh2 h MET 60 N 2.13 0.03 0.00 12.44 4.05 -1.99 -0.36 114.93 131.22 1wh2 h MET 60 Ca -0.49 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1wh2 h MET 60 Cb 1.19 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1wh2 h MET 60 CO 0.62 0.21 0.00 0.93 0.23 0.00 0.00 176.91 178.90 1wh2 h GLU 61 N 0.03 0.00 0.00 0.39 5.08 -2.01 -0.46 114.58 117.61 1wh2 h GLU 61 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wh2 h GLU 61 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1wh2 h GLU 61 CO 0.02 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.48 1wh2 n SER 62 N -2.99 0.00 -4.66 1.42 2.88 -0.15 -4.88 113.62 105.24 1wh2 n SER 62 Ca -0.00 0.47 -0.42 0.00 -1.33 0.00 0.00 58.87 57.59 1wh2 n SER 62 Cb 0.23 -0.49 -0.03 0.00 -0.75 0.00 0.00 64.21 63.17 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 -2.98 3.59 0.28 -1.46 0.00 -0.18 -4.82 121.76 116.19 1wh2 s ALA 63 Ca 0.09 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.24 1wh2 s ALA 63 Cb 0.12 -3.81 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1wh2 s ALA 63 CO 0.34 -1.51 0.45 0.14 0.00 0.00 0.00 175.76 175.17 1wh2 s VAL 64 N 4.32 5.18 0.05 0.00 -7.23 0.07 -4.66 120.40 118.13 1wh2 s VAL 64 Ca 0.82 -0.63 -0.31 0.00 -1.81 0.00 0.00 61.98 60.06 1wh2 s VAL 64 Cb -0.39 -3.83 -0.08 0.00 0.56 0.00 0.00 36.38 32.64 1wh2 s VAL 64 CO 0.37 -0.40 1.67 -0.76 -0.31 0.00 0.00 175.10 175.67 1wh2 s LEU 65 N -3.98 4.36 0.59 1.32 2.01 -1.26 -0.93 118.68 120.79 1wh2 s LEU 65 Ca 0.38 2.46 0.29 0.00 0.01 0.00 0.00 54.13 57.27 1wh2 s LEU 65 Cb -0.10 -3.56 1.48 0.00 0.01 0.00 0.00 46.19 44.03 1wh2 s LEU 65 CO 0.32 -0.90 1.90 0.25 1.01 0.00 0.00 176.35 178.93 1wh2 h LEU 66 N 8.84 0.00 -0.00 1.79 5.85 -1.59 -0.16 115.31 130.04 1wh2 h LEU 66 Ca -0.43 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.19 1wh2 h LEU 66 Cb 1.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1wh2 h LEU 66 CO 0.93 0.00 -0.49 0.71 -0.34 0.00 0.00 178.44 179.25 1wh2 h THR 67 N 0.00 0.84 0.02 1.05 1.35 -1.89 -1.80 112.91 112.50 1wh2 h THR 67 Ca 0.21 -2.19 -0.10 0.00 -0.55 0.00 0.00 66.41 63.78 1wh2 h THR 67 Cb 1.16 2.42 0.01 0.00 -1.73 0.00 0.00 68.15 70.00 1wh2 h THR 67 CO -0.00 0.48 -0.39 0.44 -0.25 0.00 0.00 175.52 175.80 1wh2 h ASP 68 N 0.00 0.30 -0.25 5.36 3.32 -1.44 -3.25 116.42 120.45 1wh2 h ASP 68 Ca -0.00 -0.83 -0.07 0.00 0.02 0.00 0.00 57.03 56.15 1wh2 h ASP 68 Cb 1.38 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 1wh2 h ASP 68 CO 0.06 1.10 -0.05 0.58 -1.72 0.00 0.00 179.24 179.21 1wh2 h VAL 69 N -0.46 1.23 0.00 -1.35 2.07 -1.24 0.31 116.25 116.80 1wh2 h VAL 69 Ca -0.06 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 1wh2 h VAL 69 Cb 1.18 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1wh2 h VAL 69 CO 0.08 0.33 -0.00 -0.07 0.02 0.00 0.00 177.57 177.92 1wh2 h LEU 70 N 0.57 0.00 0.03 2.57 4.07 -1.44 0.14 115.31 121.26 1wh2 h LEU 70 Ca 0.11 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.82 1wh2 h LEU 70 Cb 0.44 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.16 1wh2 h LEU 70 CO 0.02 0.00 -1.36 -0.09 -1.08 0.00 0.00 178.44 175.94 1wh2 h ARG 71 N 0.00 0.07 0.00 1.13 2.43 -0.83 -3.33 114.38 113.84 1wh2 h ARG 71 Ca -0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1wh2 h ARG 71 Cb 0.04 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1wh2 h ARG 71 CO 0.00 1.06 0.00 1.28 -1.51 0.00 0.00 179.97 180.80 1wh2 n LEU 72 N -4.22 0.51 -2.49 3.80 4.77 0.81 -1.83 117.00 118.34 1wh2 n LEU 72 Ca -0.31 0.70 -0.24 0.00 -0.03 0.00 0.00 56.01 56.14 1wh2 n LEU 72 Cb 0.76 -0.72 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1wh2 n LEU 72 CO 0.26 -0.78 0.13 -0.24 -1.33 0.00 0.00 177.39 175.43 1wh2 n SER 73 N -2.15 4.13 -4.30 -1.43 2.88 0.44 -5.04 113.62 108.15 1wh2 n SER 73 Ca -0.00 -3.53 -0.23 0.00 -1.33 0.00 0.00 58.87 53.78 1wh2 n SER 73 Cb 0.08 -0.47 -0.09 0.00 -0.75 0.00 0.00 64.21 62.98 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 -3.47 2.29 0.38 0.46 0.00 -0.76 -4.86 107.32 101.36 1wh2 s GLY 74 Ca 0.44 -1.65 -0.23 0.00 0.00 0.00 0.00 44.72 43.28 1wh2 s GLY 74 CO -0.14 -1.81 0.95 2.56 0.00 0.00 0.00 173.10 174.66 1wh2 s PRO 75 N -3.83 4.38 -0.40 2.90 0.04 -1.26 -4.98 135.00 131.85 1wh2 s PRO 75 Ca 0.31 1.22 -0.28 0.00 0.04 0.00 0.00 61.00 62.28 1wh2 s PRO 75 Cb 0.06 -2.46 -0.08 0.00 0.04 0.00 0.00 34.50 32.07 1wh2 s PRO 75 CO 0.15 0.10 2.34 0.45 0.04 0.00 0.00 177.00 180.08 1wh2 n SER 76 N -0.11 2.53 -0.71 6.66 2.88 -1.26 -3.90 113.62 119.72 1wh2 n SER 76 Ca 0.05 -0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1wh2 n SER 76 Cb 0.52 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1wh2 n SER 76 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wh2 n SER 77 N 13.45 0.00 -0.55 -3.46 7.64 -1.26 -5.32 113.62 124.13 1wh2 n SER 77 Ca 0.36 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.31 1wh2 n SER 77 Cb 0.45 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.71 1wh2 n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64