#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh7 n SER 2 N 0.00 0.63 -2.94 1.61 2.88 -1.26 -5.10 113.62 109.44 1wh7 n SER 2 Ca 0.00 0.21 -0.11 0.00 -1.33 0.00 0.00 58.87 57.64 1wh7 n SER 2 Cb 0.00 -0.10 0.01 0.00 -0.75 0.00 0.00 64.21 63.37 1wh7 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wh7 n SER 3 N -3.40 -7.57 0.00 -3.46 7.64 -1.26 -4.99 113.62 100.58 1wh7 n SER 3 Ca 0.00 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1wh7 n SER 3 Cb 0.05 -4.71 0.00 0.00 -1.01 0.00 0.00 64.21 58.55 1wh7 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh7 n GLY 4 N -0.04 -1.28 2.62 0.23 0.00 -1.26 -5.15 105.19 100.31 1wh7 n GLY 4 Ca 0.06 0.48 -0.27 0.00 0.00 0.00 0.00 46.02 46.29 1wh7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh7 s SER 5 N 0.00 2.75 0.10 1.61 0.01 -1.26 -5.03 113.70 111.88 1wh7 s SER 5 Ca 0.00 -0.83 -0.32 0.00 1.31 0.00 0.00 55.95 56.11 1wh7 s SER 5 Cb 0.00 -0.34 -0.13 0.00 0.21 0.00 0.00 66.02 65.77 1wh7 s SER 5 CO 0.00 -0.37 1.58 -1.28 0.41 0.00 0.00 173.24 173.59 1wh7 h SER 6 N 8.38 -1.27 0.00 2.44 0.87 -2.06 -3.48 113.55 118.43 1wh7 h SER 6 Ca -0.16 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1wh7 h SER 6 Cb 1.11 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1wh7 h SER 6 CO 0.34 -0.54 0.00 0.61 -0.53 0.00 0.00 176.83 176.71 1wh7 n GLY 7 N -1.49 0.23 3.25 5.77 0.00 -1.26 -4.66 105.19 107.03 1wh7 n GLY 7 Ca -0.09 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 1wh7 n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh7 s SER 8 N -4.00 5.77 -0.13 1.61 0.15 -1.26 -5.06 113.70 110.78 1wh7 s SER 8 Ca 0.00 -1.74 0.00 0.00 0.70 0.00 0.00 55.95 54.91 1wh7 s SER 8 Cb 0.00 -2.04 -0.02 0.00 -1.71 0.00 0.00 66.02 62.26 1wh7 s SER 8 CO 0.00 -0.67 -0.13 0.21 1.20 0.00 0.00 173.24 173.85 1wh7 s ASN 9 N 2.62 4.00 0.74 5.45 2.47 -1.26 -5.10 114.94 123.86 1wh7 s ASN 9 Ca 0.05 -0.32 -0.11 0.00 0.42 0.00 0.00 52.86 52.89 1wh7 s ASN 9 Cb -0.26 -1.58 0.03 0.00 -1.45 0.00 0.00 41.25 38.00 1wh7 s ASN 9 CO 0.01 0.17 1.08 -2.16 -3.72 0.00 0.00 177.10 172.48 1wh7 s PRO 10 N 0.30 2.57 -0.38 0.43 0.04 -1.26 -5.05 135.00 131.65 1wh7 s PRO 10 Ca -0.10 0.81 0.01 0.00 0.04 0.00 0.00 61.00 61.76 1wh7 s PRO 10 Cb -0.16 -1.96 0.13 0.00 0.04 0.00 0.00 34.50 32.55 1wh7 s PRO 10 CO 0.06 -1.32 0.20 0.45 0.04 0.00 0.00 177.00 176.42 1wh7 s SER 11 N -3.85 3.54 -0.24 6.66 0.15 -1.26 -5.06 113.70 113.64 1wh7 s SER 11 Ca 0.59 -2.24 -0.03 0.00 0.70 0.00 0.00 55.95 54.97 1wh7 s SER 11 Cb -0.14 -0.80 0.13 0.00 -1.71 0.00 0.00 66.02 63.50 1wh7 s SER 11 CO 0.55 -0.32 0.36 -0.44 1.20 0.00 0.00 173.24 174.59 1wh7 s SER 12 N 0.89 0.38 -1.21 5.45 0.01 -1.26 -5.07 113.70 112.89 1wh7 s SER 12 Ca 0.16 0.17 -0.20 0.00 1.31 0.00 0.00 55.95 57.39 1wh7 s SER 12 Cb -0.22 1.03 -0.02 0.00 0.21 0.00 0.00 66.02 67.01 1wh7 s SER 12 CO -0.06 -0.30 1.88 -1.20 0.41 0.00 0.00 173.24 173.97 1wh7 n SER 13 N 5.36 3.80 0.00 2.44 7.64 -1.26 -4.89 113.62 126.71 1wh7 n SER 13 Ca -0.04 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.05 1wh7 n SER 13 Cb 0.50 -1.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 1wh7 n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh7 n GLY 14 N 5.35 2.55 3.57 0.23 0.00 -1.26 -4.78 105.19 110.86 1wh7 n GLY 14 Ca 0.48 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.46 1wh7 n GLY 14 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wh7 s GLY 15 N 0.00 -0.43 0.30 -0.02 0.00 -1.26 -5.18 107.32 100.73 1wh7 s GLY 15 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 44.72 44.99 1wh7 s GLY 15 CO 0.00 0.07 0.43 -1.08 0.00 0.00 0.00 173.10 172.52 1wh7 s THR 16 N -3.81 4.60 -0.30 0.90 -1.32 -1.26 -5.10 115.64 109.35 1wh7 s THR 16 Ca 0.05 -0.97 -0.08 0.00 -1.21 0.00 0.00 61.69 59.47 1wh7 s THR 16 Cb -0.03 -3.61 0.19 0.00 -1.51 0.00 0.00 72.50 67.54 1wh7 s THR 16 CO -0.06 -0.24 0.94 0.28 -2.21 0.00 0.00 174.62 173.33 1wh7 s THR 17 N -2.10 -0.45 0.00 5.08 -1.32 -1.26 -4.98 115.64 110.61 1wh7 s THR 17 Ca 0.40 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.88 1wh7 s THR 17 Cb -0.09 -0.64 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 1wh7 s THR 17 CO 0.30 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 175.00 1wh7 n LYS 18 N 5.28 0.00 -0.87 7.08 2.85 -1.26 -4.86 118.16 126.39 1wh7 n LYS 18 Ca 0.03 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.93 1wh7 n LYS 18 Cb 0.56 0.00 0.09 0.00 -0.65 0.00 0.00 35.03 35.02 1wh7 n LYS 18 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wh7 n ARG 19 N 0.00 -0.63 -3.90 -1.58 1.74 -1.26 -4.94 116.66 106.09 1wh7 n ARG 19 Ca 0.00 -0.18 -0.36 0.00 -0.77 0.00 0.00 57.85 56.54 1wh7 n ARG 19 Cb 0.00 -1.29 -0.07 0.00 -1.02 0.00 0.00 32.46 30.08 1wh7 n ARG 19 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1wh7 s PHE 20 N -2.10 3.47 0.04 -1.55 0.40 -1.26 -5.07 117.98 111.91 1wh7 s PHE 20 Ca 0.44 0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 56.86 1wh7 s PHE 20 Cb -0.00 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 1wh7 s PHE 20 CO 0.67 0.52 1.05 -0.98 0.70 0.00 0.00 175.22 177.18 1wh7 s ARG 21 N -0.47 4.54 0.34 0.44 1.70 -1.26 -5.02 118.95 119.22 1wh7 s ARG 21 Ca 0.12 1.55 -0.21 0.00 -0.47 0.00 0.00 55.73 56.71 1wh7 s ARG 21 Cb -0.12 -3.41 -0.10 0.00 -0.57 0.00 0.00 34.95 30.76 1wh7 s ARG 21 CO 0.02 -0.08 0.86 0.95 -1.08 0.00 0.00 175.30 175.97 1wh7 s THR 22 N 0.85 4.44 -0.13 4.99 -4.23 -1.26 -5.06 115.64 115.23 1wh7 s THR 22 Ca 0.53 1.43 0.01 0.00 -1.18 0.00 0.00 61.69 62.48 1wh7 s THR 22 Cb -0.24 -3.76 0.02 0.00 1.34 0.00 0.00 72.50 69.85 1wh7 s THR 22 CO 0.29 -0.07 -0.14 -0.75 -0.54 0.00 0.00 174.62 173.42 1wh7 s LYS 23 N -2.60 2.19 0.39 3.99 2.47 -1.26 -5.13 119.74 119.79 1wh7 s LYS 23 Ca 0.53 -0.53 0.04 0.00 -1.56 0.00 0.00 55.97 54.46 1wh7 s LYS 23 Cb -0.13 -1.98 -0.05 0.00 -1.46 0.00 0.00 37.83 34.21 1wh7 s LYS 23 CO 0.18 -0.19 0.06 -0.06 0.16 0.00 0.00 175.35 175.51 1wh7 s PHE 24 N 1.35 1.99 0.13 4.03 0.08 -1.26 -5.15 117.98 119.15 1wh7 s PHE 24 Ca 0.01 -1.00 0.01 0.00 0.12 0.00 0.00 56.93 56.08 1wh7 s PHE 24 Cb -0.13 -1.39 -0.04 0.00 -0.57 0.00 0.00 43.02 40.89 1wh7 s PHE 24 CO -0.08 0.04 0.27 -0.08 -0.10 0.00 0.00 175.22 175.27 1wh7 s THR 25 N -3.11 5.33 0.17 0.64 -1.32 -1.26 -4.94 115.64 111.15 1wh7 s THR 25 Ca 0.28 -0.56 -0.27 0.00 -1.21 0.00 0.00 61.69 59.93 1wh7 s THR 25 Cb 0.06 -3.71 -0.00 0.00 -1.51 0.00 0.00 72.50 67.34 1wh7 s THR 25 CO 0.14 -0.02 1.49 0.00 -2.21 0.00 0.00 174.62 174.01 1wh7 n ALA 26 N -0.29 -0.51 -0.39 11.08 0.00 -1.26 -0.15 120.51 129.00 1wh7 n ALA 26 Ca -0.06 0.85 -0.09 0.00 0.00 0.00 0.00 53.44 54.13 1wh7 n ALA 26 Cb 0.53 -0.20 -0.08 0.00 0.00 0.00 0.00 19.45 19.70 1wh7 n ALA 26 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wh7 n GLU 27 N -5.25 -0.39 0.02 0.00 2.13 -1.26 0.18 120.64 116.07 1wh7 n GLU 27 Ca 0.04 1.40 -0.13 0.00 0.66 0.00 0.00 57.16 59.12 1wh7 n GLU 27 Cb 0.28 -2.06 -0.07 0.00 0.27 0.00 0.00 31.44 29.86 1wh7 n GLU 27 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1wh7 h GLN 28 N 0.00 -0.53 -0.24 5.31 4.20 -0.94 1.38 115.11 124.29 1wh7 h GLN 28 Ca 0.16 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.97 1wh7 h GLN 28 Cb 0.39 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.23 1wh7 h GLN 28 CO -0.87 -0.36 -0.16 0.87 -0.67 0.00 0.00 178.83 177.65 1wh7 h LYS 29 N -0.55 -0.13 0.36 1.46 1.57 0.53 0.25 116.57 120.04 1wh7 h LYS 29 Ca 0.05 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1wh7 h LYS 29 Cb 0.66 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1wh7 h LYS 29 CO -0.37 -0.09 -0.37 0.93 -0.57 0.00 0.00 179.45 178.98 1wh7 h GLU 30 N -0.14 -0.73 -0.57 3.15 5.08 0.29 0.50 114.58 122.16 1wh7 h GLU 30 Ca 0.14 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.66 1wh7 h GLU 30 Cb 0.34 0.17 -0.11 0.00 0.50 0.00 0.00 28.75 29.65 1wh7 h GLU 30 CO -0.33 -0.49 -0.18 0.87 -1.00 0.00 0.00 179.01 177.89 1wh7 h LYS 31 N -0.76 -0.04 -0.08 2.33 6.56 0.23 -0.12 116.57 124.69 1wh7 h LYS 31 Ca -0.02 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1wh7 h LYS 31 Cb 0.68 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.34 1wh7 h LYS 31 CO -0.07 -0.02 0.02 0.52 -2.06 0.00 0.00 179.45 177.83 1wh7 h MET 32 N -0.04 0.06 -0.90 3.15 2.86 -0.01 1.34 114.93 121.39 1wh7 h MET 32 Ca 0.27 -0.00 0.25 0.00 -2.06 0.00 0.00 59.70 58.16 1wh7 h MET 32 Cb 0.46 -0.01 -0.16 0.00 0.06 0.00 0.00 31.60 31.95 1wh7 h MET 32 CO -0.61 0.04 0.16 -0.07 1.06 0.00 0.00 176.91 177.49 1wh7 h LEU 33 N 0.06 -0.17 0.00 1.22 -0.00 0.18 0.70 115.31 117.29 1wh7 h LEU 33 Ca 0.04 0.23 -0.01 0.00 -0.00 0.00 0.00 57.88 58.14 1wh7 h LEU 33 Cb 0.02 0.35 -0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1wh7 h LEU 33 CO -0.04 -0.24 -0.09 0.00 -0.00 0.00 0.00 178.44 178.07 1wh7 h ALA 34 N 1.85 0.01 -0.88 1.53 0.00 -0.72 -2.96 119.26 118.08 1wh7 h ALA 34 Ca 0.57 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.49 1wh7 h ALA 34 Cb 1.17 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.87 1wh7 h ALA 34 CO -0.75 0.08 -0.17 0.34 0.00 0.00 0.00 179.25 178.75 1wh7 n PHE 35 N -4.72 0.37 0.39 0.00 7.35 0.46 -0.27 117.46 121.03 1wh7 n PHE 35 Ca -0.04 1.07 -0.16 0.00 -0.76 0.00 0.00 57.45 57.57 1wh7 n PHE 35 Cb 0.14 -1.04 -0.07 0.00 0.35 0.00 0.00 39.48 38.85 1wh7 n PHE 35 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wh7 h ALA 36 N 1.76 -1.11 -1.67 3.13 0.00 0.24 -1.39 119.26 120.22 1wh7 h ALA 36 Ca 0.45 -0.22 0.52 0.00 0.00 0.00 0.00 54.91 55.65 1wh7 h ALA 36 Cb 0.74 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 1wh7 h ALA 36 CO -0.89 -1.03 1.15 0.93 0.00 0.00 0.00 179.25 179.40 1wh7 h GLU 37 N -1.16 0.01 0.02 0.00 4.39 -0.46 1.83 114.58 119.20 1wh7 h GLU 37 Ca -0.10 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1wh7 h GLU 37 Cb 0.78 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1wh7 h GLU 37 CO 0.17 0.01 -0.01 0.00 -1.16 0.00 0.00 179.01 178.02 1wh7 h ARG 38 N 0.01 -0.02 0.00 2.33 3.08 -0.29 -3.06 114.38 116.42 1wh7 h ARG 38 Ca 0.90 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.95 1wh7 h ARG 38 Cb 3.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 33.33 1wh7 h ARG 38 CO -0.23 0.64 0.00 1.28 -1.07 0.00 0.00 179.97 180.59 1wh7 n LEU 39 N -4.78 0.00 -0.12 3.04 4.77 0.36 -4.85 117.00 115.43 1wh7 n LEU 39 Ca -0.09 0.41 -0.01 0.00 -0.03 0.00 0.00 56.01 56.29 1wh7 n LEU 39 Cb 0.33 -0.41 -0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1wh7 n LEU 39 CO 0.33 -0.13 -0.01 0.61 -1.33 0.00 0.00 177.39 176.85 1wh7 n GLY 40 N 0.52 0.38 2.29 -0.72 0.00 0.53 -2.97 105.19 105.22 1wh7 n GLY 40 Ca 0.07 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 1wh7 n GLY 40 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wh7 n TRP 41 N -3.62 -0.59 -3.81 1.61 7.02 -0.34 -4.94 117.44 112.78 1wh7 n TRP 41 Ca -0.01 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.34 1wh7 n TRP 41 Cb 0.34 -2.97 -0.12 0.00 -2.42 0.00 0.00 31.31 26.14 1wh7 n TRP 41 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1wh7 s ARG 42 N -4.52 0.28 -0.14 -0.99 1.70 -1.16 -4.74 118.95 109.39 1wh7 s ARG 42 Ca 0.00 0.21 0.02 0.00 -0.47 0.00 0.00 55.73 55.49 1wh7 s ARG 42 Cb 0.00 0.13 0.00 0.00 -0.57 0.00 0.00 34.95 34.51 1wh7 s ARG 42 CO 0.00 -0.04 -0.20 0.42 -1.08 0.00 0.00 175.30 174.40 1wh7 s ILE 43 N -0.08 2.31 0.24 4.99 1.01 -1.26 -4.67 121.20 123.73 1wh7 s ILE 43 Ca -0.02 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1wh7 s ILE 43 Cb -0.02 -1.94 -0.00 0.00 0.01 0.00 0.00 42.46 40.51 1wh7 s ILE 43 CO 0.01 0.54 0.02 0.00 0.00 0.00 0.00 174.94 175.50 1wh7 n GLN 44 N 3.94 1.24 -0.02 2.79 6.02 -1.26 -4.96 117.38 125.11 1wh7 n GLN 44 Ca -0.19 -1.79 0.05 0.00 -0.01 0.00 0.00 57.00 55.06 1wh7 n GLN 44 Cb 0.52 0.60 0.43 0.00 1.02 0.00 0.00 30.24 32.80 1wh7 n GLN 44 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1wh7 h LYS 45 N 0.00 0.54 -0.46 -1.09 5.09 -2.02 -0.53 116.57 118.10 1wh7 h LYS 45 Ca -0.19 -0.03 -0.11 0.00 0.09 0.00 0.00 60.65 60.41 1wh7 h LYS 45 Cb 0.62 -0.12 -0.02 0.00 0.10 0.00 0.00 32.23 32.81 1wh7 h LYS 45 CO 0.32 0.36 -0.14 1.12 -2.09 0.00 0.00 179.45 179.02 1wh7 h HIS 46 N 0.56 0.97 -0.46 0.07 2.07 -2.02 -3.05 115.15 113.29 1wh7 h HIS 46 Ca 0.18 -0.20 -0.41 0.00 -2.85 0.00 0.00 60.37 57.09 1wh7 h HIS 46 Cb 0.03 -0.24 -0.10 0.00 2.57 0.00 0.00 27.41 29.67 1wh7 h HIS 46 CO -0.00 0.95 0.70 -0.25 -3.07 0.00 0.00 177.93 176.26 1wh7 n ASP 47 N -4.14 6.38 -0.07 3.10 8.00 -0.21 -4.28 116.55 125.34 1wh7 n ASP 47 Ca 0.01 -2.79 -0.06 0.00 0.71 0.00 0.00 54.79 52.66 1wh7 n ASP 47 Cb 0.40 -1.37 -0.02 0.00 -0.02 0.00 0.00 41.12 40.11 1wh7 n ASP 47 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1wh7 n ASP 48 N 2.04 1.53 0.15 -2.24 2.03 -1.15 -3.91 116.55 115.00 1wh7 n ASP 48 Ca 0.52 0.42 -0.14 0.00 0.52 0.00 0.00 54.79 56.11 1wh7 n ASP 48 Cb 0.64 -0.75 -0.08 0.00 -0.72 0.00 0.00 41.12 40.21 1wh7 n ASP 48 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1wh7 h VAL 49 N -0.82 0.78 -1.16 5.18 2.07 -1.86 -1.10 116.25 119.35 1wh7 h VAL 49 Ca 0.00 -0.19 0.35 0.00 0.82 0.00 0.00 66.70 67.67 1wh7 h VAL 49 Cb 0.61 0.89 -0.11 0.00 -1.52 0.00 0.00 31.29 31.16 1wh7 h VAL 49 CO 0.00 0.04 0.74 0.00 0.02 0.00 0.00 177.57 178.37 1wh7 h ALA 50 N 0.29 2.42 -0.15 1.67 0.00 -1.82 1.52 119.26 123.19 1wh7 h ALA 50 Ca -0.03 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1wh7 h ALA 50 Cb 0.33 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wh7 h ALA 50 CO 0.06 -0.95 -0.21 0.28 0.00 0.00 0.00 179.25 178.43 1wh7 h VAL 51 N 0.25 1.36 -0.57 0.00 2.07 -1.49 -1.24 116.25 116.62 1wh7 h VAL 51 Ca 0.71 -1.43 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 1wh7 h VAL 51 Cb 1.99 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.67 1wh7 h VAL 51 CO -0.38 0.42 0.05 1.05 0.02 0.00 0.00 177.57 178.73 1wh7 h GLU 52 N 0.03 0.95 -0.67 1.57 4.11 0.22 -1.58 114.58 119.20 1wh7 h GLU 52 Ca 0.02 -0.26 -0.07 0.00 0.07 0.00 0.00 59.36 59.12 1wh7 h GLU 52 Cb 0.78 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1wh7 h GLU 52 CO 0.05 0.91 0.13 1.96 0.07 0.00 0.00 179.01 182.13 1wh7 h GLN 53 N 0.88 1.09 -0.03 1.06 4.20 0.17 0.58 115.11 123.06 1wh7 h GLN 53 Ca 0.17 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1wh7 h GLN 53 Cb 0.45 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1wh7 h GLN 53 CO 0.02 0.99 0.01 0.35 -0.67 0.00 0.00 178.83 179.52 1wh7 h PHE 54 N 1.03 0.05 -0.15 2.96 3.57 -0.87 -2.48 116.94 121.05 1wh7 h PHE 54 Ca 0.21 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1wh7 h PHE 54 Cb 0.41 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1wh7 h PHE 54 CO 0.03 0.24 0.10 0.00 -2.23 0.00 0.00 178.31 176.45 1wh7 h ALA 56 N 1.05 1.89 -0.74 0.00 0.00 -0.76 1.44 119.26 122.13 1wh7 h ALA 56 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wh7 h ALA 56 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wh7 h ALA 56 CO -0.01 -0.67 0.00 0.39 0.00 0.00 0.00 179.25 178.96 1wh7 n GLU 57 N -3.24 0.00 0.12 0.00 -0.58 0.16 -4.75 120.64 112.35 1wh7 n GLU 57 Ca 0.05 0.08 -0.13 0.00 -0.42 0.00 0.00 57.16 56.73 1wh7 n GLU 57 Cb 0.65 -0.48 -0.08 0.00 -0.57 0.00 0.00 31.44 30.96 1wh7 n GLU 57 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1wh7 h THR 58 N 0.00 0.85 0.00 2.62 1.35 0.38 -3.48 112.91 114.63 1wh7 h THR 58 Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1wh7 h THR 58 Cb 0.00 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1wh7 h THR 58 CO 0.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 1wh7 n GLY 59 N -0.31 1.18 3.77 5.82 0.00 0.49 -5.00 105.19 111.13 1wh7 n GLY 59 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1wh7 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wh7 s VAL 60 N -2.00 3.31 0.03 1.61 1.01 -1.26 -4.96 120.40 118.14 1wh7 s VAL 60 Ca 0.00 1.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.86 1wh7 s VAL 60 Cb 0.00 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1wh7 s VAL 60 CO 0.00 0.14 0.82 -0.13 0.00 0.00 0.00 175.10 175.92 1wh7 s ARG 61 N -2.13 4.53 0.27 2.72 0.52 -1.26 -4.39 118.95 119.20 1wh7 s ARG 61 Ca 0.54 1.14 -0.02 0.00 -0.52 0.00 0.00 55.73 56.87 1wh7 s ARG 61 Cb -0.30 -3.39 0.56 0.00 0.52 0.00 0.00 34.95 32.34 1wh7 s ARG 61 CO 0.38 0.19 1.40 -2.13 0.02 0.00 0.00 175.30 175.15 1wh7 n ARG 62 N 3.13 -0.08 -0.10 3.54 0.63 -1.26 0.20 116.66 122.72 1wh7 n ARG 62 Ca -0.00 1.37 -0.09 0.00 -0.92 0.00 0.00 57.85 58.20 1wh7 n ARG 62 Cb 0.50 -2.11 -0.02 0.00 0.45 0.00 0.00 32.46 31.29 1wh7 n ARG 62 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 1wh7 h GLN 63 N 0.00 0.44 -0.23 -0.14 3.07 -1.97 1.43 115.11 117.71 1wh7 h GLN 63 Ca 0.49 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 59.16 1wh7 h GLN 63 Cb 0.90 -0.09 -0.01 0.00 0.08 0.00 0.00 27.48 28.37 1wh7 h GLN 63 CO -0.88 0.35 0.04 0.28 0.09 0.00 0.00 178.83 178.71 1wh7 h VAL 64 N 0.40 1.23 0.22 1.86 2.07 0.16 0.54 116.25 122.73 1wh7 h VAL 64 Ca 0.11 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1wh7 h VAL 64 Cb 0.04 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1wh7 h VAL 64 CO -0.02 0.24 -0.10 0.25 0.02 0.00 0.00 177.57 177.95 1wh7 h LEU 65 N 0.18 -0.25 0.06 2.57 5.85 0.25 1.51 115.31 125.48 1wh7 h LEU 65 Ca 0.07 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1wh7 h LEU 65 Cb 0.32 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1wh7 h LEU 65 CO 0.00 -0.07 -0.18 0.50 -0.34 0.00 0.00 178.44 178.35 1wh7 h LYS 66 N -0.42 -0.32 -0.90 1.25 3.11 0.20 0.09 116.57 119.58 1wh7 h LYS 66 Ca -0.03 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 1wh7 h LYS 66 Cb 0.32 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.58 1wh7 h LYS 66 CO 0.05 -0.21 0.51 0.82 -2.81 0.00 0.00 179.45 177.81 1wh7 h ILE 67 N -0.33 1.25 -0.43 2.00 2.04 0.20 -0.06 117.51 122.18 1wh7 h ILE 67 Ca 0.04 -0.60 0.08 0.00 1.00 0.00 0.00 64.86 65.38 1wh7 h ILE 67 Cb 0.37 0.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.39 1wh7 h ILE 67 CO -0.13 0.28 -0.07 -0.25 0.00 0.00 0.00 178.15 177.98 1wh7 h TRP 68 N 1.25 -0.15 0.14 1.37 7.01 0.31 0.45 115.95 126.34 1wh7 h TRP 68 Ca 0.32 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.35 1wh7 h TRP 68 Cb -0.00 0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 1wh7 h TRP 68 CO 0.01 -0.15 -0.07 0.52 -2.79 0.00 0.00 178.44 175.96 1wh7 h MET 69 N 0.04 -0.19 -0.88 2.65 2.86 -0.27 -0.56 114.93 118.58 1wh7 h MET 69 Ca 0.21 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 58.05 1wh7 h MET 69 Cb 0.32 0.04 -0.11 0.00 0.06 0.00 0.00 31.60 31.91 1wh7 h MET 69 CO -0.41 0.03 0.43 1.25 1.06 0.00 0.00 176.91 179.27 1wh7 h HIS 70 N -0.38 0.74 0.00 -0.22 -0.00 -0.24 1.24 115.15 116.28 1wh7 h HIS 70 Ca -0.02 0.04 -0.08 0.00 -0.00 0.00 0.00 60.37 60.31 1wh7 h HIS 70 Cb 0.30 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 1wh7 h HIS 70 CO -0.01 0.08 -0.36 -0.91 -0.00 0.00 0.00 177.93 176.73 1wh7 h ASN 71 N 0.53 0.00 0.00 3.26 -0.26 0.12 -3.33 115.58 115.91 1wh7 h ASN 71 Ca 0.51 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.25 1wh7 h ASN 71 Cb 0.85 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.11 1wh7 h ASN 71 CO -0.44 0.36 0.00 0.59 -1.06 0.00 0.00 177.43 176.88 1wh7 n ASN 72 N -3.74 0.00 -4.44 5.81 3.02 0.36 -4.17 115.26 112.11 1wh7 n ASN 72 Ca -0.01 0.36 -0.43 0.00 -0.03 0.00 0.00 54.58 54.47 1wh7 n ASN 72 Cb 0.45 -0.30 -0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1wh7 n ASN 72 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1wh7 n LYS 73 N -1.40 0.49 0.00 3.52 2.85 0.23 -4.92 118.16 118.93 1wh7 n LYS 73 Ca 0.00 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 1wh7 n LYS 73 Cb 0.00 -1.40 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 1wh7 n LYS 73 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1wh7 n ASN 74 N 1.52 0.00 0.00 -5.58 2.85 -1.26 -4.82 115.26 107.97 1wh7 n ASN 74 Ca 0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 1wh7 n ASN 74 Cb 0.37 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.39 1wh7 n ASN 74 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1wh7 n SER 75 N 0.00 0.00 -2.87 1.20 7.64 -1.26 -5.06 113.62 113.28 1wh7 n SER 75 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wh7 n SER 75 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wh7 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh7 n GLY 76 N -0.11 0.00 0.10 0.23 0.00 -1.26 -4.91 105.19 99.24 1wh7 n GLY 76 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1wh7 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh7 h PRO 77 N 3.69 -0.12 -6.19 1.61 0.13 -2.00 -3.45 132.00 125.67 1wh7 h PRO 77 Ca 0.00 0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.57 1wh7 h PRO 77 Cb 0.66 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 31.77 1wh7 h PRO 77 CO 0.00 0.40 -0.03 0.45 -0.23 0.00 0.00 178.00 178.59 1wh7 s SER 78 N -5.67 7.04 0.00 1.44 0.15 -1.26 -4.69 113.70 110.70 1wh7 s SER 78 Ca -0.13 1.23 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1wh7 s SER 78 Cb -0.00 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 1wh7 s SER 78 CO 0.49 0.23 0.00 -1.54 1.20 0.00 0.00 173.24 173.62 1wh7 n SER 79 N 1.98 0.00 0.00 5.45 3.41 -1.26 -5.22 113.62 117.97 1wh7 n SER 79 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1wh7 n SER 79 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1wh7 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49