#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh9 n SER 2 N 0.00 0.00 -4.23 1.61 7.64 -1.26 -5.08 113.62 112.30 1wh9 n SER 2 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1wh9 n SER 2 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1wh9 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wh9 s SER 3 N -0.05 0.81 0.00 6.43 1.04 -1.26 -5.14 113.70 115.53 1wh9 s SER 3 Ca 0.00 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.17 1wh9 s SER 3 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1wh9 s SER 3 CO 0.00 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1wh9 n GLY 4 N -0.25 -1.33 3.58 7.32 0.00 -1.26 -5.17 105.19 108.09 1wh9 n GLY 4 Ca -0.04 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 1wh9 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wh9 s SER 5 N -3.62 1.90 0.53 1.61 1.04 -1.26 -5.04 113.70 108.85 1wh9 s SER 5 Ca 0.00 1.59 -0.18 0.00 0.48 0.00 0.00 55.95 57.83 1wh9 s SER 5 Cb 0.00 -2.27 -0.07 0.00 0.10 0.00 0.00 66.02 63.78 1wh9 s SER 5 CO 0.00 -3.64 1.04 -0.44 0.98 0.00 0.00 173.24 171.18 1wh9 s SER 6 N -2.81 6.15 0.00 7.02 0.01 -1.26 -4.66 113.70 118.15 1wh9 s SER 6 Ca 0.67 1.87 0.00 0.00 1.31 0.00 0.00 55.95 59.80 1wh9 s SER 6 Cb -0.23 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.46 1wh9 s SER 6 CO 0.61 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.96 1wh9 n GLY 7 N -0.58 2.71 0.18 3.44 0.00 -1.26 -4.82 105.19 104.86 1wh9 n GLY 7 Ca 0.09 -1.90 -0.06 0.00 0.00 0.00 0.00 46.02 44.15 1wh9 n GLY 7 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wh9 h PHE 8 N 0.00 -0.29 0.00 1.61 3.57 -1.99 -0.40 116.94 119.44 1wh9 h PHE 8 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1wh9 h PHE 8 Cb 0.00 0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1wh9 h PHE 8 CO 0.00 -0.19 0.00 1.17 -2.23 0.00 0.00 178.31 177.06 1wh9 n LYS 9 N -5.31 0.14 -0.08 1.11 4.81 -1.26 -0.66 118.16 116.91 1wh9 n LYS 9 Ca 0.01 0.35 -0.17 0.00 -0.87 0.00 0.00 58.31 57.63 1wh9 n LYS 9 Cb 0.22 -1.76 -0.12 0.00 0.02 0.00 0.00 35.03 33.40 1wh9 n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wh9 h ALA 10 N 2.37 0.11 -0.45 3.14 0.00 -1.48 -3.18 119.26 119.77 1wh9 h ALA 10 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 54.91 54.17 1wh9 h ALA 10 Cb 0.36 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1wh9 h ALA 10 CO 0.00 0.31 0.18 0.93 0.00 0.00 0.00 179.25 180.67 1wh9 h GLU 11 N -1.00 0.36 -0.21 0.00 4.39 -0.64 -0.26 114.58 117.22 1wh9 h GLU 11 Ca -0.15 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.43 1wh9 h GLU 11 Cb 1.09 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 1wh9 h GLU 11 CO -0.09 0.24 -0.30 1.25 -1.16 0.00 0.00 179.01 178.95 1wh9 h LEU 12 N 0.37 0.42 0.08 1.33 5.85 -1.10 -1.33 115.31 120.92 1wh9 h LEU 12 Ca 0.20 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1wh9 h LEU 12 Cb 0.17 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1wh9 h LEU 12 CO -0.19 0.70 -0.04 -1.13 -0.34 0.00 0.00 178.44 177.45 1wh9 h ASN 13 N 0.36 -0.09 -0.15 1.25 -1.24 -1.34 0.42 115.58 114.79 1wh9 h ASN 13 Ca 0.05 -0.29 0.05 0.00 0.71 0.00 0.00 56.30 56.82 1wh9 h ASN 13 Cb 0.70 0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.72 1wh9 h ASN 13 CO 0.05 0.25 -0.19 -0.33 -1.29 0.00 0.00 177.43 175.92 1wh9 h GLU 14 N -0.43 -0.22 0.23 6.67 4.39 -1.01 0.22 114.58 124.42 1wh9 h GLU 14 Ca -0.01 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1wh9 h GLU 14 Cb 0.37 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 1wh9 h GLU 14 CO 0.02 -0.14 -0.52 0.35 -1.16 0.00 0.00 179.01 177.55 1wh9 h PHE 15 N -0.22 -1.49 -0.57 4.33 3.04 -1.21 -2.74 116.94 118.08 1wh9 h PHE 15 Ca 0.11 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.05 1wh9 h PHE 15 Cb 0.38 0.62 -0.03 0.00 2.56 0.00 0.00 35.95 39.48 1wh9 h PHE 15 CO -0.31 -0.62 0.21 -0.07 -2.02 0.00 0.00 178.31 175.51 1wh9 h LEU 16 N -0.82 0.75 -0.57 0.59 3.38 -0.72 -1.32 115.31 116.61 1wh9 h LEU 16 Ca -0.02 -0.10 0.11 0.00 0.09 0.00 0.00 57.88 57.95 1wh9 h LEU 16 Cb 0.79 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 1wh9 h LEU 16 CO -0.22 0.69 0.09 0.74 0.09 0.00 0.00 178.44 179.83 1wh9 h THR 17 N 0.81 0.63 0.04 0.22 2.02 -0.35 0.16 112.91 116.44 1wh9 h THR 17 Ca 0.19 -0.07 -0.25 0.00 0.77 0.00 0.00 66.41 67.05 1wh9 h THR 17 Cb 0.18 0.40 0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1wh9 h THR 17 CO -0.02 0.04 -1.01 0.03 0.37 0.00 0.00 175.52 174.94 1wh9 h ARG 18 N 0.21 0.61 0.00 6.66 3.08 -1.13 -2.36 114.38 121.46 1wh9 h ARG 18 Ca 0.30 -0.71 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1wh9 h ARG 18 Cb 0.44 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1wh9 h ARG 18 CO -0.41 1.30 0.00 0.93 -1.07 0.00 0.00 179.97 180.72 1wh9 h GLU 19 N 0.22 0.00 0.00 0.04 3.07 -0.88 -3.26 114.58 113.77 1wh9 h GLU 19 Ca -0.14 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.68 1wh9 h GLU 19 Cb 1.69 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.50 1wh9 h GLU 19 CO 0.20 0.00 -0.50 1.28 -1.40 0.00 0.00 179.01 178.59 1wh9 n LEU 20 N -2.75 1.42 0.07 1.33 4.77 0.01 -4.90 117.00 116.96 1wh9 n LEU 20 Ca 0.02 -2.40 -0.12 0.00 -0.03 0.00 0.00 56.01 53.48 1wh9 n LEU 20 Cb 0.31 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1wh9 n LEU 20 CO 0.26 0.68 0.77 0.00 -1.33 0.00 0.00 177.39 177.76 1wh9 h ALA 21 N 0.45 -0.20 -0.42 -1.18 0.00 -1.46 -2.19 119.26 114.24 1wh9 h ALA 21 Ca -0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1wh9 h ALA 21 Cb 1.33 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1wh9 h ALA 21 CO 0.02 -0.65 -0.03 0.93 0.00 0.00 0.00 179.25 179.53 1wh9 h GLU 22 N -0.26 0.70 -0.49 0.00 4.39 -1.88 -3.25 114.58 113.78 1wh9 h GLU 22 Ca 0.03 -0.19 -0.11 0.00 0.34 0.00 0.00 59.36 59.44 1wh9 h GLU 22 Cb 0.30 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1wh9 h GLU 22 CO -0.11 0.73 -0.13 -0.44 -1.16 0.00 0.00 179.01 177.91 1wh9 h ASP 23 N 0.66 0.93 0.00 1.42 5.19 -1.80 -3.47 116.42 119.35 1wh9 h ASP 23 Ca 0.13 -0.31 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1wh9 h ASP 23 Cb 0.45 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1wh9 h ASP 23 CO 0.02 1.06 0.00 0.61 -3.12 0.00 0.00 179.24 177.81 1wh9 n GLY 24 N -0.30 1.21 3.54 2.75 0.00 -0.87 -4.25 105.19 107.27 1wh9 n GLY 24 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1wh9 n GLY 24 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wh9 n TYR 25 N -0.03 -0.51 0.00 1.61 9.36 -1.10 -2.28 117.16 124.21 1wh9 n TYR 25 Ca 0.00 0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.27 1wh9 n TYR 25 Cb 0.00 -1.81 0.00 0.00 -0.63 0.00 0.00 39.34 36.90 1wh9 n TYR 25 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1wh9 n SER 26 N -4.65 0.00 0.00 2.98 7.64 -0.85 -4.88 113.62 113.85 1wh9 n SER 26 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1wh9 n SER 26 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1wh9 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh9 n GLY 27 N -0.54 -1.43 3.34 0.23 0.00 -1.03 -4.79 105.19 100.96 1wh9 n GLY 27 Ca 0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 1wh9 n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wh9 s VAL 28 N -2.83 -0.00 0.22 1.61 0.11 -1.26 -0.76 120.40 117.49 1wh9 s VAL 28 Ca 0.00 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.12 1wh9 s VAL 28 Cb 0.00 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 1wh9 s VAL 28 CO 0.00 0.01 0.29 -1.61 -3.33 0.00 0.00 175.10 170.46 1wh9 s GLU 29 N 0.50 3.27 -0.10 1.54 2.02 0.03 -4.95 118.70 121.01 1wh9 s GLU 29 Ca -0.02 -0.81 -0.03 0.00 0.02 0.00 0.00 54.97 54.12 1wh9 s GLU 29 Cb -0.04 -2.80 0.05 0.00 0.10 0.00 0.00 34.13 31.43 1wh9 s GLU 29 CO -0.02 0.44 0.12 0.54 0.02 0.00 0.00 175.26 176.35 1wh9 s VAL 30 N -1.96 -0.18 -0.21 2.63 0.11 -1.26 -0.94 120.40 118.58 1wh9 s VAL 30 Ca 0.34 0.24 -0.05 0.00 -2.93 0.00 0.00 61.98 59.58 1wh9 s VAL 30 Cb -0.09 -0.33 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 1wh9 s VAL 30 CO 0.27 0.04 -0.01 -0.13 -3.33 0.00 0.00 175.10 171.95 1wh9 s ARG 31 N 2.22 3.51 -0.10 1.54 0.52 -0.58 -5.00 118.95 121.06 1wh9 s ARG 31 Ca 0.04 -0.57 -0.18 0.00 -0.52 0.00 0.00 55.73 54.50 1wh9 s ARG 31 Cb -0.13 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 1wh9 s ARG 31 CO -0.06 -0.11 0.48 0.54 0.02 0.00 0.00 175.30 176.18 1wh9 s VAL 32 N 1.29 5.16 0.36 3.52 0.11 -1.26 -0.41 120.40 129.16 1wh9 s VAL 32 Ca 0.04 0.97 0.08 0.00 -2.93 0.00 0.00 61.98 60.14 1wh9 s VAL 32 Cb -0.15 -3.82 -0.07 0.00 -1.53 0.00 0.00 36.38 30.82 1wh9 s VAL 32 CO 0.00 0.35 -0.06 0.42 -3.33 0.00 0.00 175.10 172.48 1wh9 s THR 33 N 0.43 2.11 -0.66 5.04 -4.23 -0.45 -4.99 115.64 112.90 1wh9 s THR 33 Ca 0.26 -2.14 0.18 0.00 -1.18 0.00 0.00 61.69 58.81 1wh9 s THR 33 Cb -0.15 -2.74 0.18 0.00 1.34 0.00 0.00 72.50 71.12 1wh9 s THR 33 CO 0.11 -0.14 1.55 -0.81 -0.54 0.00 0.00 174.62 174.78 1wh9 n PRO 34 N -0.83 0.10 -0.12 3.99 -0.04 -1.26 -3.44 135.00 133.41 1wh9 n PRO 34 Ca -0.05 0.41 -0.25 0.00 -0.04 0.00 0.00 63.50 63.57 1wh9 n PRO 34 Cb 0.65 -1.73 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 1wh9 n PRO 34 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wh9 n THR 35 N -1.93 1.53 -3.83 0.52 -2.24 -1.26 -5.07 114.28 102.00 1wh9 n THR 35 Ca 0.02 -0.18 -0.06 0.00 -2.27 0.00 0.00 64.05 61.55 1wh9 n THR 35 Cb 0.16 -1.99 -0.00 0.00 -2.10 0.00 0.00 70.33 66.40 1wh9 n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wh9 s ARG 36 N -2.44 1.77 0.56 -0.78 1.70 -1.22 -4.86 118.95 113.67 1wh9 s ARG 36 Ca -0.33 -1.06 -0.17 0.00 -0.47 0.00 0.00 55.73 53.70 1wh9 s ARG 36 Cb 0.10 0.55 -0.05 0.00 -0.57 0.00 0.00 34.95 34.98 1wh9 s ARG 36 CO 0.53 -0.82 1.06 0.99 -1.08 0.00 0.00 175.30 175.97 1wh9 s THR 37 N -3.11 3.76 -0.01 4.99 2.01 0.16 -1.34 115.64 122.09 1wh9 s THR 37 Ca 0.14 0.93 0.02 0.00 0.31 0.00 0.00 61.69 63.08 1wh9 s THR 37 Cb -0.05 -3.39 -0.00 0.00 0.01 0.00 0.00 72.50 69.07 1wh9 s THR 37 CO 0.07 -0.40 -0.06 -1.61 -0.69 0.00 0.00 174.62 171.93 1wh9 s GLU 38 N -3.77 0.55 -0.09 4.92 2.02 0.45 -1.79 118.70 120.98 1wh9 s GLU 38 Ca 0.65 -0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.44 1wh9 s GLU 38 Cb -0.17 -0.54 0.02 0.00 0.10 0.00 0.00 34.13 33.55 1wh9 s GLU 38 CO 0.31 0.11 -0.10 0.42 0.02 0.00 0.00 175.26 176.03 1wh9 s ILE 39 N -0.02 1.07 -0.36 -1.63 1.01 -0.28 -1.53 121.20 119.46 1wh9 s ILE 39 Ca 0.01 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.31 1wh9 s ILE 39 Cb -0.04 -1.04 0.11 0.00 0.01 0.00 0.00 42.46 41.49 1wh9 s ILE 39 CO -0.00 0.36 0.10 -0.63 0.00 0.00 0.00 174.94 174.77 1wh9 s ILE 40 N 1.27 1.88 0.07 2.92 1.09 -0.12 -0.18 121.20 128.13 1wh9 s ILE 40 Ca -0.03 -2.24 -0.31 0.00 -1.10 0.00 0.00 60.65 56.98 1wh9 s ILE 40 Cb -0.14 -2.38 -0.07 0.00 -1.06 0.00 0.00 42.46 38.81 1wh9 s ILE 40 CO -0.03 -0.67 1.47 -0.63 -0.10 0.00 0.00 174.94 174.98 1wh9 s ILE 41 N 0.90 3.32 -0.42 2.92 1.09 -0.42 -0.79 121.20 127.80 1wh9 s ILE 41 Ca 0.12 0.85 -0.17 0.00 -1.10 0.00 0.00 60.65 60.34 1wh9 s ILE 41 Cb -0.20 -3.54 0.02 0.00 -1.06 0.00 0.00 42.46 37.68 1wh9 s ILE 41 CO -0.11 0.03 0.42 -0.76 -0.10 0.00 0.00 174.94 174.42 1wh9 s LEU 42 N 1.89 4.89 0.25 2.97 1.43 0.06 -0.64 118.68 129.52 1wh9 s LEU 42 Ca 0.67 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 1wh9 s LEU 42 Cb -0.36 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.49 1wh9 s LEU 42 CO 0.29 -0.56 0.46 0.00 0.23 0.00 0.00 176.35 176.77 1wh9 s ALA 43 N 2.08 -0.13 -0.10 4.21 0.00 -1.04 -2.01 121.76 124.77 1wh9 s ALA 43 Ca 0.11 -0.95 -0.27 0.00 0.00 0.00 0.00 51.96 50.86 1wh9 s ALA 43 Cb -0.17 1.09 -0.26 0.00 0.00 0.00 0.00 23.12 23.78 1wh9 s ALA 43 CO 0.13 -0.84 0.88 1.79 0.00 0.00 0.00 175.76 177.72 1wh9 h THR 44 N 2.27 1.67 -2.15 0.00 1.35 -1.72 -2.37 112.91 111.95 1wh9 h THR 44 Ca -0.27 -2.20 -0.78 0.00 -0.55 0.00 0.00 66.41 62.61 1wh9 h THR 44 Cb 1.25 3.14 -0.22 0.00 -1.73 0.00 0.00 68.15 70.59 1wh9 h THR 44 CO 0.36 0.59 1.40 0.54 -0.25 0.00 0.00 175.52 178.16 1wh9 n ARG 45 N -4.53 4.13 -0.22 4.72 1.74 -1.26 -4.73 116.66 116.51 1wh9 n ARG 45 Ca -0.10 -4.07 0.18 0.00 -0.77 0.00 0.00 57.85 53.09 1wh9 n ARG 45 Cb 0.52 -2.70 0.50 0.00 -1.02 0.00 0.00 32.46 29.76 1wh9 n ARG 45 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1wh9 h THR 46 N 3.51 0.72 -0.25 0.55 1.35 -1.88 0.80 112.91 117.71 1wh9 h THR 46 Ca 0.31 -0.15 -0.01 0.00 -0.55 0.00 0.00 66.41 66.02 1wh9 h THR 46 Cb 0.60 0.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 1wh9 h THR 46 CO 1.47 0.08 0.12 -0.61 -0.25 0.00 0.00 175.52 176.33 1wh9 h GLN 47 N 0.42 0.35 -0.52 4.72 5.75 -1.94 -0.55 115.11 123.34 1wh9 h GLN 47 Ca 0.44 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.87 1wh9 h GLN 47 Cb 1.06 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 1wh9 h GLN 47 CO -0.16 0.35 0.24 -0.97 -2.65 0.00 0.00 178.83 175.63 1wh9 h ASN 48 N 0.27 0.70 0.17 -0.69 -1.24 -1.20 -0.74 115.58 112.85 1wh9 h ASN 48 Ca 0.09 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 56.94 1wh9 h ASN 48 Cb 0.11 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 38.98 1wh9 h ASN 48 CO -0.01 0.65 -0.08 0.58 -1.29 0.00 0.00 177.43 177.27 1wh9 h VAL 49 N 0.70 0.85 -0.37 2.57 2.07 -1.27 -1.64 116.25 119.17 1wh9 h VAL 49 Ca 0.18 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1wh9 h VAL 49 Cb 0.14 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1wh9 h VAL 49 CO -0.02 0.03 0.25 -0.07 0.02 0.00 0.00 177.57 177.77 1wh9 h LEU 50 N -0.28 0.27 -0.05 2.57 3.38 -0.93 -3.26 115.31 117.01 1wh9 h LEU 50 Ca -0.02 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1wh9 h LEU 50 Cb 0.22 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1wh9 h LEU 50 CO 0.04 0.18 -0.10 0.61 0.09 0.00 0.00 178.44 179.26 1wh9 n GLY 51 N -1.52 -1.45 3.52 0.83 0.00 -0.30 -0.81 105.19 105.46 1wh9 n GLY 51 Ca 0.04 -1.47 -0.45 0.00 0.00 0.00 0.00 46.02 44.15 1wh9 n GLY 51 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wh9 n GLU 52 N -1.70 1.28 -3.94 1.61 2.13 -1.26 -2.54 120.64 116.22 1wh9 n GLU 52 Ca 0.00 0.29 -0.26 0.00 0.66 0.00 0.00 57.16 57.85 1wh9 n GLU 52 Cb 0.12 -2.85 -0.02 0.00 0.27 0.00 0.00 31.44 28.96 1wh9 n GLU 52 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wh9 n LYS 53 N 8.57 -3.17 -3.01 5.31 4.76 -1.26 -2.42 118.16 126.94 1wh9 n LYS 53 Ca 0.38 0.40 -0.13 0.00 -2.87 0.00 0.00 58.31 56.10 1wh9 n LYS 53 Cb 0.35 -4.49 0.06 0.00 -1.84 0.00 0.00 35.03 29.11 1wh9 n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wh9 n GLY 54 N -1.98 -0.80 0.01 0.72 0.00 -1.05 -5.02 105.19 97.08 1wh9 n GLY 54 Ca -0.30 0.42 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 1wh9 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wh9 n ARG 55 N -3.04 0.08 -0.23 1.61 5.12 0.01 -4.24 116.66 115.97 1wh9 n ARG 55 Ca -0.08 0.20 -0.02 0.00 -1.93 0.00 0.00 57.85 56.02 1wh9 n ARG 55 Cb 0.61 -0.81 0.18 0.00 -1.16 0.00 0.00 32.46 31.27 1wh9 n ARG 55 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wh9 h ARG 56 N -0.16 1.03 -0.77 5.56 -0.00 -1.67 -0.96 114.38 117.41 1wh9 h ARG 56 Ca 0.00 -0.13 0.08 0.00 -0.50 0.00 0.00 59.98 59.43 1wh9 h ARG 56 Cb 0.11 -0.20 -0.07 0.00 0.00 0.00 0.00 29.97 29.82 1wh9 h ARG 56 CO 0.00 0.78 0.43 0.97 0.00 0.00 0.00 179.97 182.15 1wh9 h ILE 57 N 1.03 0.92 -0.13 2.04 6.09 -1.53 0.89 117.51 126.82 1wh9 h ILE 57 Ca 0.25 -0.26 -0.18 0.00 -1.37 0.00 0.00 64.86 63.31 1wh9 h ILE 57 Cb 0.07 0.11 -0.00 0.00 0.47 0.00 0.00 36.82 37.47 1wh9 h ILE 57 CO -0.04 0.14 -0.66 0.03 -3.07 0.00 0.00 178.15 174.55 1wh9 h ARG 58 N 0.75 0.53 0.65 2.19 3.08 -1.54 -0.63 114.38 119.41 1wh9 h ARG 58 Ca 0.36 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1wh9 h ARG 58 Cb 0.30 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1wh9 h ARG 58 CO -0.23 1.01 -0.34 1.05 -1.07 0.00 0.00 179.97 180.38 1wh9 h GLU 59 N 0.38 -0.89 0.00 0.04 4.11 -0.34 -2.53 114.58 115.35 1wh9 h GLU 59 Ca -0.02 0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.45 1wh9 h GLU 59 Cb 1.23 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 1wh9 h GLU 59 CO 0.12 -0.59 -0.11 -0.07 0.07 0.00 0.00 179.01 178.43 1wh9 h LEU 60 N -0.92 0.00 0.59 3.06 3.38 -0.87 -1.08 115.31 119.47 1wh9 h LEU 60 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1wh9 h LEU 60 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1wh9 h LEU 60 CO 0.12 0.11 -0.38 0.74 0.09 0.00 0.00 178.44 179.13 1wh9 h THR 61 N 0.00 0.23 0.00 0.22 2.02 -0.83 0.15 112.91 114.70 1wh9 h THR 61 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1wh9 h THR 61 Cb 0.50 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1wh9 h THR 61 CO 0.01 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.76 1wh9 h ALA 62 N -0.60 1.52 0.50 6.16 0.00 -0.86 0.21 119.26 126.18 1wh9 h ALA 62 Ca -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1wh9 h ALA 62 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1wh9 h ALA 62 CO 0.07 0.18 -0.24 0.28 0.00 0.00 0.00 179.25 179.53 1wh9 h VAL 63 N 0.00 0.00 -0.78 0.00 2.07 -1.08 -3.19 116.25 113.27 1wh9 h VAL 63 Ca -0.00 -0.17 0.13 0.00 0.82 0.00 0.00 66.70 67.48 1wh9 h VAL 63 Cb 0.30 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.98 1wh9 h VAL 63 CO 0.02 0.00 0.37 0.58 0.02 0.00 0.00 177.57 178.56 1wh9 h VAL 64 N -0.83 0.74 -0.63 2.57 2.07 -0.14 0.22 116.25 120.24 1wh9 h VAL 64 Ca -0.07 -0.19 0.10 0.00 0.82 0.00 0.00 66.70 67.36 1wh9 h VAL 64 Cb 0.51 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 1wh9 h VAL 64 CO 0.11 0.10 0.25 1.56 0.02 0.00 0.00 177.57 179.62 1wh9 h GLN 65 N 0.56 0.43 0.34 1.57 4.20 -0.72 0.11 115.11 121.60 1wh9 h GLN 65 Ca 0.42 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.08 1wh9 h GLN 65 Cb 0.57 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1wh9 h GLN 65 CO -0.35 0.29 -0.16 -0.22 -0.67 0.00 0.00 178.83 177.71 1wh9 h LYS 66 N 0.45 -0.43 -0.72 1.46 3.64 -1.19 -0.98 116.57 118.79 1wh9 h LYS 66 Ca 0.32 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.89 1wh9 h LYS 66 Cb 0.39 0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 32.18 1wh9 h LYS 66 CO -0.30 -0.17 0.04 -0.09 -2.27 0.00 0.00 179.45 176.66 1wh9 h ARG 67 N -1.04 0.13 -0.01 1.90 1.12 -0.19 -1.56 114.38 114.75 1wh9 h ARG 67 Ca -0.05 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 1wh9 h ARG 67 Cb 0.47 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.40 1wh9 h ARG 67 CO 0.08 0.09 -0.68 1.19 -3.11 0.00 0.00 179.97 177.53 1wh9 n PHE 68 N -5.30 0.00 -3.26 2.20 3.72 0.35 -5.00 117.46 110.18 1wh9 n PHE 68 Ca 0.13 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.36 1wh9 n PHE 68 Cb 0.45 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.06 1wh9 n PHE 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wh9 n GLY 69 N 1.39 -0.22 3.77 1.37 0.00 -0.59 -4.99 105.19 105.92 1wh9 n GLY 69 Ca 0.06 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1wh9 n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wh9 s PHE 70 N -3.27 3.16 0.15 1.61 0.08 -0.46 -4.99 117.98 114.27 1wh9 s PHE 70 Ca 0.25 1.53 -0.33 0.00 0.12 0.00 0.00 56.93 58.50 1wh9 s PHE 70 Cb -0.11 -3.49 -0.12 0.00 -0.57 0.00 0.00 43.02 38.73 1wh9 s PHE 70 CO 0.58 -1.39 1.72 -2.30 -0.10 0.00 0.00 175.22 173.73 1wh9 n PRO 71 N 0.59 2.56 -1.84 0.24 -0.02 -1.26 -4.85 135.00 130.42 1wh9 n PRO 71 Ca 0.01 0.93 -0.37 0.00 -2.02 0.00 0.00 63.50 62.05 1wh9 n PRO 71 Cb 0.44 -2.76 -0.03 0.00 -0.02 0.00 0.00 33.50 31.13 1wh9 n PRO 71 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1wh9 s GLU 72 N 1.71 2.40 0.00 -0.52 -1.05 -1.26 -1.27 118.70 118.71 1wh9 s GLU 72 Ca 0.79 0.94 0.00 0.00 -0.15 0.00 0.00 54.97 56.55 1wh9 s GLU 72 Cb -0.56 -4.48 0.00 0.00 -0.44 0.00 0.00 34.13 28.65 1wh9 s GLU 72 CO 0.37 -2.98 0.00 0.41 0.95 0.00 0.00 175.26 174.01 1wh9 n GLY 73 N 5.84 0.68 0.94 -3.83 0.00 -1.26 -4.93 105.19 102.63 1wh9 n GLY 73 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1wh9 n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh9 n SER 74 N 0.00 2.41 -3.89 1.61 7.64 -0.40 -4.82 113.62 116.17 1wh9 n SER 74 Ca 0.00 -2.27 -0.10 0.00 1.01 0.00 0.00 58.87 57.51 1wh9 n SER 74 Cb 0.00 -0.56 -0.09 0.00 -1.01 0.00 0.00 64.21 62.56 1wh9 n SER 74 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wh9 s VAL 75 N -1.36 0.12 -0.00 0.44 0.11 -1.25 -0.67 120.40 117.79 1wh9 s VAL 75 Ca 0.14 -0.99 -0.14 0.00 -2.93 0.00 0.00 61.98 58.07 1wh9 s VAL 75 Cb 0.11 -0.89 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 1wh9 s VAL 75 CO 0.04 -0.55 0.28 -0.70 -3.33 0.00 0.00 175.10 170.85 1wh9 s GLU 76 N -2.57 0.67 -0.08 1.54 -6.30 -0.74 -4.87 118.70 106.36 1wh9 s GLU 76 Ca -0.05 -0.28 0.04 0.00 -2.50 0.00 0.00 54.97 52.17 1wh9 s GLU 76 Cb -0.01 0.29 0.00 0.00 0.00 0.00 0.00 34.13 34.41 1wh9 s GLU 76 CO -0.04 -0.19 -0.19 -0.51 0.02 0.00 0.00 175.26 174.35 1wh9 s LEU 77 N -1.48 1.91 0.23 2.70 1.02 -1.26 -1.12 118.68 120.68 1wh9 s LEU 77 Ca -0.12 -0.44 0.07 0.00 0.02 0.00 0.00 54.13 53.67 1wh9 s LEU 77 Cb -0.05 -1.14 -0.05 0.00 0.02 0.00 0.00 46.19 44.97 1wh9 s LEU 77 CO 0.02 0.12 -0.12 -0.31 0.02 0.00 0.00 176.35 176.09 1wh9 s TYR 78 N 0.36 1.80 -0.21 0.29 2.02 0.75 -4.96 117.35 117.39 1wh9 s TYR 78 Ca -0.14 -0.61 -0.02 0.00 -0.37 0.00 0.00 57.07 55.93 1wh9 s TYR 78 Cb -0.16 -0.90 0.06 0.00 -0.40 0.00 0.00 41.96 40.57 1wh9 s TYR 78 CO 0.06 0.34 0.02 0.00 -1.57 0.00 0.00 175.55 174.40 1wh9 s ALA 79 N -2.98 1.26 0.21 3.71 0.00 -1.26 -1.29 121.76 121.41 1wh9 s ALA 79 Ca 0.25 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.34 1wh9 s ALA 79 Cb 0.01 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 1wh9 s ALA 79 CO 0.09 -1.22 0.24 -1.21 0.00 0.00 0.00 175.76 173.65 1wh9 s GLU 80 N 1.73 3.12 0.41 0.00 0.41 0.18 -4.91 118.70 119.65 1wh9 s GLU 80 Ca -0.01 -0.87 -0.16 0.00 -0.41 0.00 0.00 54.97 53.52 1wh9 s GLU 80 Cb -0.17 -2.72 -0.09 0.00 -1.78 0.00 0.00 34.13 29.37 1wh9 s GLU 80 CO -0.09 0.44 0.85 0.15 -0.49 0.00 0.00 175.26 176.12 1wh9 s LYS 81 N -3.62 3.98 0.91 1.61 1.02 -1.26 -2.49 119.74 119.90 1wh9 s LYS 81 Ca 0.33 0.78 -0.13 0.00 0.02 0.00 0.00 55.97 56.97 1wh9 s LYS 81 Cb -0.09 -2.30 0.18 0.00 -0.52 0.00 0.00 37.83 35.10 1wh9 s LYS 81 CO 0.26 -0.03 1.26 0.14 -0.92 0.00 0.00 175.35 176.05 1wh9 s VAL 82 N -2.27 2.03 0.00 3.17 -7.23 -0.89 -4.75 120.40 110.45 1wh9 s VAL 82 Ca 0.56 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.63 1wh9 s VAL 82 Cb -0.10 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.92 1wh9 s VAL 82 CO 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.02 1wh9 n ALA 83 N -3.57 0.00 -0.92 1.32 0.00 -1.26 -4.96 120.51 111.12 1wh9 n ALA 83 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1wh9 n ALA 83 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1wh9 n ALA 83 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wh9 n THR 84 N -1.98 0.00 0.21 0.00 -2.24 -1.26 -4.95 114.28 104.06 1wh9 n THR 84 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wh9 n THR 84 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1wh9 n THR 84 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1wh9 n ARG 85 N 2.51 0.00 0.00 -0.78 0.63 -1.26 -5.10 116.66 112.66 1wh9 n ARG 85 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1wh9 n ARG 85 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1wh9 n ARG 85 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wh9 n GLY 86 N -1.46 0.01 0.00 5.14 0.00 -1.26 -5.12 105.19 102.50 1wh9 n GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wh9 n GLY 86 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh9 n SER 87 N 0.00 0.00 0.00 1.61 7.64 -1.26 -5.19 113.62 116.42 1wh9 n SER 87 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wh9 n SER 87 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wh9 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh9 n GLY 88 N 1.76 2.69 3.79 0.23 0.00 -1.26 -5.07 105.19 107.33 1wh9 n GLY 88 Ca 0.00 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 1wh9 n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh9 s PRO 89 N -1.90 3.33 -0.01 1.61 0.04 -1.26 -4.98 135.00 131.83 1wh9 s PRO 89 Ca 0.00 1.34 0.21 0.00 0.04 0.00 0.00 61.00 62.59 1wh9 s PRO 89 Cb 0.00 -2.03 -0.25 0.00 0.04 0.00 0.00 34.50 32.26 1wh9 s PRO 89 CO 0.00 -0.82 0.80 0.43 0.04 0.00 0.00 177.00 177.45 1wh9 n SER 90 N -1.76 0.79 -3.78 6.66 7.64 -1.26 -5.00 113.62 116.92 1wh9 n SER 90 Ca 0.10 -0.78 -0.09 0.00 1.01 0.00 0.00 58.87 59.10 1wh9 n SER 90 Cb 0.52 1.21 -0.04 0.00 -1.01 0.00 0.00 64.21 64.89 1wh9 n SER 90 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh9 s SER 91 N -3.30 -0.21 0.00 6.43 0.01 -1.26 -5.37 113.70 110.00 1wh9 s SER 91 Ca 0.05 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1wh9 s SER 91 Cb 0.15 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.95 1wh9 s SER 91 CO 0.87 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 174.08