#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh9 s SER 2 N 0.00 -0.36 0.29 1.61 1.04 -1.26 -5.19 113.70 109.83 1wh9 s SER 2 Ca 0.00 -0.36 -0.19 0.00 0.48 0.00 0.00 55.95 55.87 1wh9 s SER 2 Cb 0.00 0.65 0.06 0.00 0.10 0.00 0.00 66.02 66.83 1wh9 s SER 2 CO 0.00 -1.15 0.90 -0.94 0.98 0.00 0.00 173.24 173.03 1wh9 s SER 3 N -2.85 -0.02 0.05 7.02 1.04 -1.26 -5.19 113.70 112.50 1wh9 s SER 3 Ca 0.08 -0.89 -0.02 0.00 0.48 0.00 0.00 55.95 55.60 1wh9 s SER 3 Cb -0.04 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 1wh9 s SER 3 CO -0.01 -1.35 -0.01 -0.83 0.98 0.00 0.00 173.24 172.02 1wh9 s GLY 4 N -3.19 0.42 -0.06 7.32 0.00 -1.26 -4.97 107.32 105.58 1wh9 s GLY 4 Ca 0.18 -1.13 -0.08 0.00 0.00 0.00 0.00 44.72 43.68 1wh9 s GLY 4 CO 0.08 -1.25 -0.16 1.44 0.00 0.00 0.00 173.10 173.21 1wh9 n SER 5 N 0.14 1.16 0.00 1.64 7.64 -1.26 -5.03 113.62 117.92 1wh9 n SER 5 Ca -0.14 0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1wh9 n SER 5 Cb 0.61 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1wh9 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh9 n SER 6 N -3.65 0.00 0.00 6.43 7.64 -1.26 -5.09 113.62 117.70 1wh9 n SER 6 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1wh9 n SER 6 Cb 0.25 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1wh9 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh9 n GLY 7 N 0.63 -0.62 0.35 0.23 0.00 -1.26 -5.00 105.19 99.53 1wh9 n GLY 7 Ca 0.00 0.35 -0.17 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.80 -0.96 1.61 3.57 -2.00 -3.00 116.94 115.37 1wh9 h PHE 8 Ca 0.00 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.65 1wh9 h PHE 8 Cb 0.00 0.26 -0.09 0.00 2.79 0.00 0.00 35.95 38.92 1wh9 h PHE 8 CO 0.00 -0.47 0.61 -0.22 -2.23 0.00 0.00 178.31 176.00 1wh9 h LYS 9 N -0.94 0.69 -0.01 1.11 3.64 -1.97 -1.15 116.57 117.93 1wh9 h LYS 9 Ca -0.09 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1wh9 h LYS 9 Cb 0.68 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1wh9 h LYS 9 CO 0.14 0.46 -0.02 0.00 -2.27 0.00 0.00 179.45 177.76 1wh9 h ALA 10 N 1.61 0.02 -0.45 5.00 0.00 -1.93 -0.11 119.26 123.39 1wh9 h ALA 10 Ca 0.51 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1wh9 h ALA 10 Cb 0.85 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1wh9 h ALA 10 CO -0.28 -0.19 0.16 0.93 0.00 0.00 0.00 179.25 179.88 1wh9 h GLU 11 N -0.52 0.32 -0.84 0.00 4.39 -1.26 0.05 114.58 116.72 1wh9 h GLU 11 Ca 0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1wh9 h GLU 11 Cb 0.58 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 1wh9 h GLU 11 CO 0.00 0.21 0.40 1.25 -1.16 0.00 0.00 179.01 179.72 1wh9 h LEU 12 N 0.33 1.10 0.17 1.33 5.85 -1.23 0.56 115.31 123.42 1wh9 h LEU 12 Ca 0.21 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1wh9 h LEU 12 Cb 0.20 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1wh9 h LEU 12 CO -0.21 0.93 -0.08 -1.13 -0.34 0.00 0.00 178.44 177.60 1wh9 h ASN 13 N 1.20 -0.19 -1.00 1.25 -1.24 -0.44 -1.15 115.58 114.00 1wh9 h ASN 13 Ca 0.29 -0.04 0.02 0.00 0.71 0.00 0.00 56.30 57.27 1wh9 h ASN 13 Cb 0.12 0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.17 1wh9 h ASN 13 CO -0.04 -0.08 0.66 -0.33 -1.29 0.00 0.00 177.43 176.36 1wh9 h GLU 14 N -0.29 1.30 0.72 6.67 4.39 -0.62 0.22 114.58 126.96 1wh9 h GLU 14 Ca -0.02 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1wh9 h GLU 14 Cb 0.23 -0.29 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1wh9 h GLU 14 CO 0.04 0.86 -0.39 0.35 -1.16 0.00 0.00 179.01 178.70 1wh9 h PHE 15 N 1.34 -1.04 -0.78 4.33 3.57 -0.79 -3.07 116.94 120.50 1wh9 h PHE 15 Ca 0.38 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 1wh9 h PHE 15 Cb -0.12 0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 1wh9 h PHE 15 CO -0.00 -0.61 0.44 -0.07 -2.23 0.00 0.00 178.31 175.83 1wh9 h LEU 16 N -1.03 0.96 -1.89 0.59 3.38 -0.91 -0.87 115.31 115.54 1wh9 h LEU 16 Ca -0.09 -0.07 0.18 0.00 0.09 0.00 0.00 57.88 57.98 1wh9 h LEU 16 Cb 0.81 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1wh9 h LEU 16 CO 0.13 0.76 0.48 0.74 0.09 0.00 0.00 178.44 180.64 1wh9 h THR 17 N 1.08 0.70 0.03 0.22 2.02 -0.52 0.18 112.91 116.62 1wh9 h THR 17 Ca 0.28 -0.04 -0.28 0.00 0.77 0.00 0.00 66.41 67.14 1wh9 h THR 17 Cb 0.01 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1wh9 h THR 17 CO -0.05 0.02 -1.54 0.54 0.37 0.00 0.00 175.52 174.86 1wh9 n ARG 18 N -4.38 0.61 0.02 6.66 3.00 -0.87 -2.82 116.66 118.88 1wh9 n ARG 18 Ca 0.13 0.48 0.04 0.00 -0.01 0.00 0.00 57.85 58.49 1wh9 n ARG 18 Cb 0.68 -1.72 0.42 0.00 0.00 0.00 0.00 32.46 31.84 1wh9 n ARG 18 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1wh9 h GLU 19 N -0.75 0.49 -0.24 5.56 4.39 -0.74 -2.55 114.58 120.74 1wh9 h GLU 19 Ca -0.40 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.20 1wh9 h GLU 19 Cb 1.50 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 30.01 1wh9 h GLU 19 CO -0.16 0.36 -0.05 1.28 -1.16 0.00 0.00 179.01 179.28 1wh9 n LEU 20 N -4.45 3.66 0.14 1.33 4.77 0.61 -4.79 117.00 118.27 1wh9 n LEU 20 Ca 0.02 -3.32 -0.17 0.00 -0.03 0.00 0.00 56.01 52.52 1wh9 n LEU 20 Cb 0.09 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 1wh9 n LEU 20 CO 0.36 0.90 0.52 0.00 -1.33 0.00 0.00 177.39 177.84 1wh9 h ALA 21 N 1.19 -1.00 -1.00 -1.18 0.00 -1.29 -2.48 119.26 113.51 1wh9 h ALA 21 Ca 0.07 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1wh9 h ALA 21 Cb 1.42 0.86 -0.06 0.00 0.00 0.00 0.00 17.79 20.01 1wh9 h ALA 21 CO 0.23 -1.13 0.65 0.93 0.00 0.00 0.00 179.25 179.94 1wh9 h GLU 22 N -0.79 1.19 -0.67 0.00 4.39 -1.86 -3.28 114.58 113.56 1wh9 h GLU 22 Ca -0.01 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.64 1wh9 h GLU 22 Cb 0.77 -0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 1wh9 h GLU 22 CO -0.25 0.79 0.43 -0.44 -1.16 0.00 0.00 179.01 178.38 1wh9 h ASP 23 N 1.23 0.72 0.00 1.42 5.19 -1.80 -3.46 116.42 119.72 1wh9 h ASP 23 Ca 0.42 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 1wh9 h ASP 23 Cb 0.08 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1wh9 h ASP 23 CO -0.15 0.51 0.00 0.61 -3.12 0.00 0.00 179.24 177.10 1wh9 n GLY 24 N -1.28 0.77 3.58 2.75 0.00 -1.20 -4.57 105.19 105.23 1wh9 n GLY 24 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1wh9 n GLY 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wh9 s TYR 25 N -0.71 1.71 0.00 1.61 5.04 -1.22 -0.23 117.35 123.55 1wh9 s TYR 25 Ca 0.00 1.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 1wh9 s TYR 25 Cb 0.00 -3.18 0.00 0.00 0.35 0.00 0.00 41.96 39.13 1wh9 s TYR 25 CO 0.00 -3.44 0.00 0.43 -1.34 0.00 0.00 175.55 171.20 1wh9 n SER 26 N -4.59 0.00 0.00 4.32 7.64 -0.30 -4.72 113.62 115.97 1wh9 n SER 26 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1wh9 n SER 26 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.22 -1.34 3.45 0.23 0.00 -0.75 -4.98 105.19 101.57 1wh9 n GLY 27 Ca 0.00 -1.20 -0.14 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.00 0.01 0.22 1.61 0.11 -1.26 -0.07 120.40 118.01 1wh9 s VAL 28 Ca 0.00 -0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.06 1wh9 s VAL 28 Cb 0.00 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1wh9 s VAL 28 CO 0.00 -0.03 0.19 -1.61 -3.33 0.00 0.00 175.10 170.33 1wh9 s GLU 29 N -0.09 2.97 -0.02 1.54 0.41 0.38 -4.95 118.70 118.94 1wh9 s GLU 29 Ca -0.03 -0.97 0.05 0.00 -0.41 0.00 0.00 54.97 53.61 1wh9 s GLU 29 Cb -0.03 -2.62 -0.01 0.00 -1.78 0.00 0.00 34.13 29.68 1wh9 s GLU 29 CO 0.02 0.43 -0.16 0.54 -0.49 0.00 0.00 175.26 175.61 1wh9 s VAL 30 N -2.00 1.25 -0.04 2.63 0.11 -1.26 -1.12 120.40 119.97 1wh9 s VAL 30 Ca 0.32 -0.66 -0.00 0.00 -2.93 0.00 0.00 61.98 58.71 1wh9 s VAL 30 Cb -0.09 -1.05 0.03 0.00 -1.53 0.00 0.00 36.38 33.74 1wh9 s VAL 30 CO 0.25 0.36 0.01 -0.13 -3.33 0.00 0.00 175.10 172.26 1wh9 s ARG 31 N -0.26 0.27 -0.18 1.54 0.52 -0.08 -5.01 118.95 115.74 1wh9 s ARG 31 Ca 0.04 0.14 -0.07 0.00 -0.52 0.00 0.00 55.73 55.32 1wh9 s ARG 31 Cb -0.07 -0.55 -0.04 0.00 0.52 0.00 0.00 34.95 34.81 1wh9 s ARG 31 CO -0.00 -0.20 0.05 0.08 0.02 0.00 0.00 175.30 175.25 1wh9 s VAL 32 N 1.38 4.62 0.48 3.52 1.01 -1.26 -0.67 120.40 129.47 1wh9 s VAL 32 Ca -0.05 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1wh9 s VAL 32 Cb -0.13 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1wh9 s VAL 32 CO -0.03 0.45 0.02 0.42 0.00 0.00 0.00 175.10 175.97 1wh9 s THR 33 N 0.48 1.18 -2.00 3.92 -4.23 -1.23 -5.02 115.64 108.73 1wh9 s THR 33 Ca 0.02 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.83 1wh9 s THR 33 Cb -0.13 -2.31 0.85 0.00 1.34 0.00 0.00 72.50 72.25 1wh9 s THR 33 CO 0.01 0.00 2.12 -0.81 -0.54 0.00 0.00 174.62 175.40 1wh9 n PRO 34 N -1.15 0.94 0.01 3.99 -0.04 -1.26 -4.52 135.00 132.96 1wh9 n PRO 34 Ca -0.15 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1wh9 n PRO 34 Cb 0.67 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.00 0.41 -3.68 0.52 -2.24 -1.26 -5.12 114.28 101.91 1wh9 n THR 35 Ca 0.22 0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 62.03 1wh9 n THR 35 Cb 0.10 -1.54 -0.05 0.00 -2.10 0.00 0.00 70.33 66.75 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 -2.01 1.14 0.48 -0.78 1.70 -1.26 -4.90 118.95 113.32 1wh9 s ARG 36 Ca -0.01 -0.77 -0.22 0.00 -0.47 0.00 0.00 55.73 54.27 1wh9 s ARG 36 Cb 0.00 0.48 -0.07 0.00 -0.57 0.00 0.00 34.95 34.78 1wh9 s ARG 36 CO 0.01 -0.46 1.11 0.99 -1.08 0.00 0.00 175.30 175.87 1wh9 s THR 37 N -3.83 3.35 -0.08 4.99 2.01 -1.08 -3.58 115.64 117.43 1wh9 s THR 37 Ca 0.05 0.93 0.03 0.00 0.31 0.00 0.00 61.69 63.02 1wh9 s THR 37 Cb 0.01 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.10 1wh9 s THR 37 CO -0.09 -0.09 -0.19 -1.61 -0.69 0.00 0.00 174.62 171.95 1wh9 s GLU 38 N -2.94 2.35 -0.14 4.92 2.02 0.15 -2.60 118.70 122.47 1wh9 s GLU 38 Ca 0.66 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.99 1wh9 s GLU 38 Cb -0.24 -1.86 0.02 0.00 0.10 0.00 0.00 34.13 32.16 1wh9 s GLU 38 CO 0.28 0.14 -0.15 0.42 0.02 0.00 0.00 175.26 175.97 1wh9 s ILE 39 N 0.39 1.62 -0.39 -1.63 1.01 -0.87 -0.90 121.20 120.45 1wh9 s ILE 39 Ca -0.14 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 59.86 1wh9 s ILE 39 Cb -0.16 -1.50 0.11 0.00 0.01 0.00 0.00 42.46 40.91 1wh9 s ILE 39 CO 0.06 0.47 0.11 -0.63 0.00 0.00 0.00 174.94 174.95 1wh9 s ILE 40 N 1.31 2.26 0.35 2.92 1.09 -0.28 -0.28 121.20 128.57 1wh9 s ILE 40 Ca 0.02 -2.56 -0.27 0.00 -1.10 0.00 0.00 60.65 56.74 1wh9 s ILE 40 Cb -0.13 -2.64 -0.09 0.00 -1.06 0.00 0.00 42.46 38.53 1wh9 s ILE 40 CO -0.08 -0.66 1.21 -0.63 -0.10 0.00 0.00 174.94 174.68 1wh9 s ILE 41 N 0.62 3.02 -0.20 2.92 1.01 -0.47 -0.47 121.20 127.64 1wh9 s ILE 41 Ca 0.13 0.95 -0.02 0.00 0.00 0.00 0.00 60.65 61.72 1wh9 s ILE 41 Cb -0.21 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1wh9 s ILE 41 CO -0.07 0.17 -0.11 -0.76 0.00 0.00 0.00 174.94 174.17 1wh9 s LEU 42 N -2.04 2.57 0.25 2.97 1.43 0.89 -0.97 118.68 123.78 1wh9 s LEU 42 Ca 0.52 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.98 1wh9 s LEU 42 Cb -0.35 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1wh9 s LEU 42 CO 0.45 0.00 0.54 0.00 0.23 0.00 0.00 176.35 177.57 1wh9 s ALA 43 N 1.31 -0.51 0.06 4.21 0.00 -1.20 -1.15 121.76 124.49 1wh9 s ALA 43 Ca 0.04 -0.71 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 1wh9 s ALA 43 Cb -0.14 1.01 -0.29 0.00 0.00 0.00 0.00 23.12 23.70 1wh9 s ALA 43 CO -0.06 -0.90 1.10 1.79 0.00 0.00 0.00 175.76 177.69 1wh9 h THR 44 N 2.19 1.45 -2.98 0.00 1.35 -0.89 -1.66 112.91 112.37 1wh9 h THR 44 Ca -0.24 -3.01 -0.62 0.00 -0.55 0.00 0.00 66.41 61.99 1wh9 h THR 44 Cb 1.25 2.94 -0.41 0.00 -1.73 0.00 0.00 68.15 70.20 1wh9 h THR 44 CO 0.33 0.88 -0.69 -0.13 -0.25 0.00 0.00 175.52 175.66 1wh9 s ARG 45 N -2.65 1.88 0.25 4.72 1.81 -1.26 -4.64 118.95 119.06 1wh9 s ARG 45 Ca -0.05 -2.76 -0.04 0.00 -1.72 0.00 0.00 55.73 51.16 1wh9 s ARG 45 Cb 0.07 -2.83 0.47 0.00 -0.45 0.00 0.00 34.95 32.21 1wh9 s ARG 45 CO 0.89 -1.26 1.70 1.79 -0.68 0.00 0.00 175.30 177.74 1wh9 h THR 46 N 4.76 0.56 -0.90 0.02 1.35 -1.86 -0.85 112.91 115.98 1wh9 h THR 46 Ca 0.11 -0.11 0.08 0.00 -0.55 0.00 0.00 66.41 65.93 1wh9 h THR 46 Cb 0.84 0.20 -0.06 0.00 -1.73 0.00 0.00 68.15 67.39 1wh9 h THR 46 CO 0.60 0.06 0.58 0.06 -0.25 0.00 0.00 175.52 176.58 1wh9 h GLN 47 N 0.33 0.95 -0.33 4.72 3.07 -1.96 -0.44 115.11 121.44 1wh9 h GLN 47 Ca 0.42 -0.06 -0.08 0.00 0.09 0.00 0.00 58.65 59.03 1wh9 h GLN 47 Cb 0.70 -0.21 -0.01 0.00 0.08 0.00 0.00 27.48 28.04 1wh9 h GLN 47 CO -0.47 0.63 -0.09 -0.91 0.09 0.00 0.00 178.83 178.08 1wh9 h ASN 48 N 0.98 0.66 -0.68 0.06 2.35 -1.52 -2.43 115.58 115.00 1wh9 h ASN 48 Ca 0.40 -0.37 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1wh9 h ASN 48 Cb 0.28 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1wh9 h ASN 48 CO -0.16 0.87 0.34 0.58 -1.65 0.00 0.00 177.43 177.42 1wh9 h VAL 49 N 0.43 1.22 -0.05 2.81 2.07 -1.23 -2.27 116.25 119.23 1wh9 h VAL 49 Ca 0.08 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 1wh9 h VAL 49 Cb 0.59 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1wh9 h VAL 49 CO 0.03 0.25 -0.23 -0.07 0.02 0.00 0.00 177.57 177.58 1wh9 h LEU 50 N 0.93 0.08 0.00 2.57 3.38 -0.97 -3.23 115.31 118.07 1wh9 h LEU 50 Ca 0.23 -0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.33 1wh9 h LEU 50 Cb 0.09 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1wh9 h LEU 50 CO -0.03 0.32 -0.20 0.61 0.09 0.00 0.00 178.44 179.23 1wh9 n GLY 51 N -0.78 -1.48 3.58 0.83 0.00 -0.85 -1.16 105.19 105.32 1wh9 n GLY 51 Ca -0.02 -1.13 -0.45 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.60 1.90 -0.54 1.61 2.13 -1.26 -2.15 120.64 119.74 1wh9 n GLU 52 Ca 0.00 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.38 1wh9 n GLU 52 Cb 0.25 -3.05 0.00 0.00 0.27 0.00 0.00 31.44 28.91 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 8.42 -0.63 0.00 5.31 5.02 -1.26 -0.75 118.16 134.28 1wh9 n LYS 53 Ca 0.31 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1wh9 n LYS 53 Cb 0.40 -4.08 0.00 0.00 -0.02 0.00 0.00 35.03 31.32 1wh9 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wh9 n GLY 54 N -0.75 0.77 0.41 0.72 0.00 -0.91 -5.07 105.19 100.37 1wh9 n GLY 54 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1wh9 n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wh9 h ARG 55 N 0.00 -0.20 -0.29 1.61 2.47 -0.53 -0.48 114.38 116.96 1wh9 h ARG 55 Ca 0.00 0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 1wh9 h ARG 55 Cb 0.00 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1wh9 h ARG 55 CO 0.00 -0.13 -0.04 0.00 0.56 0.00 0.00 179.97 180.36 1wh9 h ARG 56 N -0.21 0.53 -0.40 0.04 -0.00 -1.37 0.06 114.38 113.03 1wh9 h ARG 56 Ca 0.17 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.98 59.45 1wh9 h ARG 56 Cb 0.55 -0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.46 1wh9 h ARG 56 CO -0.73 0.71 0.19 0.97 0.00 0.00 0.00 179.97 181.11 1wh9 h ILE 57 N 0.30 1.14 -0.19 2.04 2.10 -1.29 0.81 117.51 122.42 1wh9 h ILE 57 Ca 0.08 -0.39 -0.18 0.00 1.08 0.00 0.00 64.86 65.45 1wh9 h ILE 57 Cb 0.49 0.63 -0.00 0.00 -1.09 0.00 0.00 36.82 36.85 1wh9 h ILE 57 CO 0.02 0.16 -0.60 0.03 -1.08 0.00 0.00 178.15 176.68 1wh9 h ARG 58 N 0.56 0.64 0.37 2.19 3.08 -0.61 0.34 114.38 120.95 1wh9 h ARG 58 Ca 0.14 -0.44 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 1wh9 h ARG 58 Cb 0.06 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1wh9 h ARG 58 CO -0.02 1.06 -0.18 0.93 -1.07 0.00 0.00 179.97 180.69 1wh9 h GLU 59 N 0.48 -0.48 -0.77 0.04 5.08 -0.64 -3.23 114.58 115.06 1wh9 h GLU 59 Ca -0.00 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1wh9 h GLU 59 Cb 1.18 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 1wh9 h GLU 59 CO 0.12 -0.17 0.50 -0.07 -1.00 0.00 0.00 179.01 178.39 1wh9 h LEU 60 N -0.81 0.61 -0.41 1.33 3.38 -0.83 0.56 115.31 119.14 1wh9 h LEU 60 Ca -0.05 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.02 1wh9 h LEU 60 Cb 0.53 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.08 1wh9 h LEU 60 CO 0.08 0.36 -0.24 0.74 0.09 0.00 0.00 178.44 179.47 1wh9 h THR 61 N 0.67 0.35 -0.08 0.22 2.02 -0.99 -0.25 112.91 114.86 1wh9 h THR 61 Ca 0.36 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.41 1wh9 h THR 61 Cb 0.48 0.35 0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1wh9 h THR 61 CO -0.13 0.00 -0.43 0.00 0.37 0.00 0.00 175.52 175.33 1wh9 h ALA 62 N 1.05 0.16 -0.18 6.16 0.00 -0.94 -0.37 119.26 125.13 1wh9 h ALA 62 Ca 0.20 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1wh9 h ALA 62 Cb 0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1wh9 h ALA 62 CO -0.51 0.29 0.12 -0.24 0.00 0.00 0.00 179.25 178.91 1wh9 h VAL 63 N -0.02 1.06 -0.52 0.00 3.04 -1.29 -2.59 116.25 115.91 1wh9 h VAL 63 Ca -0.03 -0.12 0.07 0.00 -1.01 0.00 0.00 66.70 65.61 1wh9 h VAL 63 Cb 1.08 0.81 -0.06 0.00 -2.01 0.00 0.00 31.29 31.12 1wh9 h VAL 63 CO 0.09 0.05 0.18 0.58 -1.01 0.00 0.00 177.57 177.46 1wh9 h VAL 64 N 0.23 0.81 -0.88 1.51 2.07 -1.00 0.22 116.25 119.22 1wh9 h VAL 64 Ca 0.07 -0.12 0.19 0.00 0.82 0.00 0.00 66.70 67.65 1wh9 h VAL 64 Cb -0.01 0.42 -0.11 0.00 -1.52 0.00 0.00 31.29 30.07 1wh9 h VAL 64 CO -0.01 0.07 0.42 1.56 0.02 0.00 0.00 177.57 179.62 1wh9 h GLN 65 N 0.36 0.50 0.19 1.57 4.20 -0.69 -0.75 115.11 120.48 1wh9 h GLN 65 Ca 0.25 -0.03 -0.32 0.00 0.06 0.00 0.00 58.65 58.61 1wh9 h GLN 65 Cb 0.28 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 27.97 1wh9 h GLN 65 CO -0.26 0.33 -1.55 -0.22 -0.67 0.00 0.00 178.83 176.46 1wh9 h LYS 66 N 0.51 0.40 0.00 1.46 3.64 -1.02 -0.24 116.57 121.32 1wh9 h LYS 66 Ca 0.52 -0.68 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 1wh9 h LYS 66 Cb 0.88 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1wh9 h LYS 66 CO -0.45 1.33 -0.17 -0.09 -2.27 0.00 0.00 179.45 177.80 1wh9 h ARG 67 N 0.00 0.00 -0.00 1.90 1.12 0.09 -2.99 114.38 114.51 1wh9 h ARG 67 Ca -0.30 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.57 1wh9 h ARG 67 Cb 2.02 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.98 1wh9 h ARG 67 CO 0.18 0.17 -0.16 1.19 -3.11 0.00 0.00 179.97 178.24 1wh9 n PHE 68 N -4.29 0.00 -2.93 2.20 3.72 -0.35 -5.04 117.46 110.77 1wh9 n PHE 68 Ca -0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.26 1wh9 n PHE 68 Cb 0.24 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.84 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 0.99 -0.14 3.81 1.37 0.00 -0.72 -5.02 105.19 105.47 1wh9 n GLY 69 Ca 0.01 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.25 3.21 -0.01 1.61 0.08 -0.18 -5.02 117.98 114.43 1wh9 s PHE 70 Ca 0.03 1.59 -0.30 0.00 0.12 0.00 0.00 56.93 58.37 1wh9 s PHE 70 Cb -0.00 -2.92 -0.08 0.00 -0.57 0.00 0.00 43.02 39.45 1wh9 s PHE 70 CO 0.49 -0.39 1.87 -1.25 -0.10 0.00 0.00 175.22 175.84 1wh9 s PRO 71 N -3.28 4.11 0.48 0.24 0.04 -1.26 -4.87 135.00 130.46 1wh9 s PRO 71 Ca 0.64 2.44 -0.22 0.00 0.04 0.00 0.00 61.00 63.89 1wh9 s PRO 71 Cb -0.12 -4.11 -0.09 0.00 0.04 0.00 0.00 34.50 30.22 1wh9 s PRO 71 CO 0.17 -0.97 1.01 -1.91 0.04 0.00 0.00 177.00 175.34 1wh9 n GLU 72 N 7.46 1.26 -0.32 4.56 0.00 -1.26 -1.67 120.64 130.68 1wh9 n GLU 72 Ca 0.19 0.46 0.00 0.00 0.00 0.00 0.00 57.16 57.81 1wh9 n GLU 72 Cb 0.42 -2.11 0.00 0.00 0.00 0.00 0.00 31.44 29.75 1wh9 n GLU 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wh9 n GLY 73 N 1.19 1.28 2.61 8.31 0.00 -1.26 -4.78 105.19 112.54 1wh9 n GLY 73 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 2.50 -3.85 1.61 7.64 -0.67 -4.99 113.62 115.86 1wh9 n SER 74 Ca 0.00 -2.51 -0.12 0.00 1.01 0.00 0.00 58.87 57.25 1wh9 n SER 74 Cb 0.00 -0.44 -0.14 0.00 -1.01 0.00 0.00 64.21 62.62 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 -4.02 -0.00 -0.02 0.44 0.11 -1.21 -2.63 120.40 113.06 1wh9 s VAL 75 Ca 0.34 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.43 1wh9 s VAL 75 Cb 0.35 -0.07 -0.01 0.00 -1.53 0.00 0.00 36.38 35.12 1wh9 s VAL 75 CO -0.02 0.00 -0.12 -0.70 -3.33 0.00 0.00 175.10 170.93 1wh9 s GLU 76 N 0.07 1.10 -0.20 1.54 -6.30 -1.07 -4.98 118.70 108.86 1wh9 s GLU 76 Ca -0.00 -0.43 -0.09 0.00 -2.50 0.00 0.00 54.97 51.94 1wh9 s GLU 76 Cb -0.01 -1.03 -0.05 0.00 0.00 0.00 0.00 34.13 33.04 1wh9 s GLU 76 CO -0.00 0.23 0.11 -0.51 0.02 0.00 0.00 175.26 175.10 1wh9 s LEU 77 N -0.13 4.04 0.28 2.70 1.02 -1.26 -2.04 118.68 123.29 1wh9 s LEU 77 Ca 0.02 0.16 0.11 0.00 0.02 0.00 0.00 54.13 54.43 1wh9 s LEU 77 Cb -0.07 -2.04 -0.05 0.00 0.02 0.00 0.00 46.19 44.05 1wh9 s LEU 77 CO 0.00 0.16 -0.11 -0.31 0.02 0.00 0.00 176.35 176.11 1wh9 s TYR 78 N 0.46 2.46 -0.22 0.29 2.02 0.61 -4.99 117.35 117.99 1wh9 s TYR 78 Ca 0.06 -0.29 -0.01 0.00 -0.37 0.00 0.00 57.07 56.46 1wh9 s TYR 78 Cb -0.12 -1.10 0.06 0.00 -0.40 0.00 0.00 41.96 40.40 1wh9 s TYR 78 CO -0.00 0.67 -0.01 0.00 -1.57 0.00 0.00 175.55 174.64 1wh9 s ALA 79 N -2.44 1.55 0.18 3.71 0.00 -1.26 -1.37 121.76 122.14 1wh9 s ALA 79 Ca 0.31 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 51.20 1wh9 s ALA 79 Cb -0.05 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1wh9 s ALA 79 CO 0.17 -1.22 0.22 -1.21 0.00 0.00 0.00 175.76 173.73 1wh9 s GLU 80 N 1.60 3.15 0.06 0.00 2.02 -0.15 -4.98 118.70 120.40 1wh9 s GLU 80 Ca -0.03 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.19 1wh9 s GLU 80 Cb -0.18 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 1wh9 s GLU 80 CO -0.08 0.47 0.04 0.21 0.02 0.00 0.00 175.26 175.92 1wh9 s LYS 81 N -3.39 2.75 -0.00 1.61 2.20 -1.26 -3.24 119.74 118.40 1wh9 s LYS 81 Ca 0.33 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 55.19 1wh9 s LYS 81 Cb -0.10 -2.65 -0.04 0.00 -1.51 0.00 0.00 37.83 33.53 1wh9 s LYS 81 CO 0.26 0.57 0.18 0.08 -0.36 0.00 0.00 175.35 176.08 1wh9 s VAL 82 N -1.30 5.42 0.00 4.02 1.01 -0.63 -4.88 120.40 124.05 1wh9 s VAL 82 Ca 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1wh9 s VAL 82 Cb -0.12 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1wh9 s VAL 82 CO 0.18 0.31 0.00 0.00 0.00 0.00 0.00 175.10 175.59 1wh9 n ALA 83 N 0.88 1.66 -3.66 5.51 0.00 -1.26 -4.85 120.51 118.79 1wh9 n ALA 83 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.10 1wh9 n ALA 83 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.99 -1.83 -2.90 0.00 -2.24 -1.26 -2.87 114.28 101.19 1wh9 n THR 84 Ca 0.00 -0.20 -0.09 0.00 -2.27 0.00 0.00 64.05 61.49 1wh9 n THR 84 Cb 0.00 -1.60 0.01 0.00 -2.10 0.00 0.00 70.33 66.64 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 -2.76 -2.55 -2.70 -0.78 0.00 -1.26 -5.05 116.66 101.57 1wh9 n ARG 85 Ca -0.14 2.18 -0.05 0.00 -0.00 0.00 0.00 57.85 59.84 1wh9 n ARG 85 Cb 0.40 -5.03 0.05 0.00 0.00 0.00 0.00 32.46 27.88 1wh9 n ARG 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wh9 n GLY 86 N 0.04 -1.19 3.67 5.14 0.00 -1.14 -5.17 105.19 106.54 1wh9 n GLY 86 Ca 0.06 0.80 -0.11 0.00 0.00 0.00 0.00 46.02 46.78 1wh9 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wh9 s SER 87 N -0.23 0.28 -0.44 1.61 1.04 -1.26 -4.98 113.70 109.73 1wh9 s SER 87 Ca 0.27 -1.18 0.05 0.00 0.48 0.00 0.00 55.95 55.58 1wh9 s SER 87 Cb 0.17 0.73 0.18 0.00 0.10 0.00 0.00 66.02 67.20 1wh9 s SER 87 CO -0.12 -1.43 0.45 0.61 0.98 0.00 0.00 173.24 173.72 1wh9 n GLY 88 N -0.51 1.49 3.69 7.32 0.00 -1.26 -5.15 105.19 110.77 1wh9 n GLY 88 Ca -0.04 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 0.21 0.39 0.21 1.61 0.04 -1.26 -5.10 135.00 131.09 1wh9 s PRO 89 Ca 0.32 0.40 -0.02 0.00 0.04 0.00 0.00 61.00 61.75 1wh9 s PRO 89 Cb 0.04 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 1wh9 s PRO 89 CO -0.16 -2.73 0.18 0.45 0.04 0.00 0.00 177.00 174.77 1wh9 s SER 90 N -3.61 0.18 0.00 6.66 0.15 -1.26 -5.11 113.70 110.71 1wh9 s SER 90 Ca 0.66 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1wh9 s SER 90 Cb -0.17 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1wh9 s SER 90 CO 0.57 -0.88 0.00 -1.20 1.20 0.00 0.00 173.24 172.92 1wh9 n SER 91 N -0.33 0.00 0.00 5.45 7.64 -1.26 -5.36 113.62 119.76 1wh9 n SER 91 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1wh9 n SER 91 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1wh9 n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64