#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 -0.92 -4.59 1.61 2.88 -1.26 -5.00 113.62 106.34 1wh9 n SER 2 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1wh9 n SER 2 Cb 0.00 -0.46 -0.03 0.00 -0.75 0.00 0.00 64.21 62.98 1wh9 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wh9 s SER 3 N 0.00 5.92 1.04 -3.46 0.01 -1.26 -5.00 113.70 110.95 1wh9 s SER 3 Ca 0.00 1.05 -0.03 0.00 1.31 0.00 0.00 55.95 58.28 1wh9 s SER 3 Cb 0.00 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.75 1wh9 s SER 3 CO 0.00 -1.73 0.17 0.61 0.41 0.00 0.00 173.24 172.70 1wh9 n GLY 4 N 5.38 -2.50 3.11 3.44 0.00 -1.26 -5.12 105.19 108.24 1wh9 n GLY 4 Ca 0.21 -1.45 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 1wh9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh9 s SER 5 N -1.98 0.31 0.09 1.61 0.01 -1.26 -5.17 113.70 107.31 1wh9 s SER 5 Ca 0.11 -0.75 -0.27 0.00 1.31 0.00 0.00 55.95 56.35 1wh9 s SER 5 Cb -0.01 0.23 0.09 0.00 0.21 0.00 0.00 66.02 66.53 1wh9 s SER 5 CO 0.09 -0.57 1.09 -0.44 0.41 0.00 0.00 173.24 173.82 1wh9 s SER 6 N -2.55 -0.11 0.76 2.44 0.01 -1.26 -4.96 113.70 108.03 1wh9 s SER 6 Ca 0.01 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1wh9 s SER 6 Cb 0.03 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1wh9 s SER 6 CO -0.08 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.50 1wh9 n GLY 7 N -0.51 1.94 0.32 3.44 0.00 -1.26 -2.83 105.19 106.29 1wh9 n GLY 7 Ca -0.06 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.48 1wh9 n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1wh9 n PHE 8 N 10.04 0.40 0.01 1.61 7.35 -1.26 -0.53 117.46 135.08 1wh9 n PHE 8 Ca 0.00 1.10 0.05 0.00 -0.76 0.00 0.00 57.45 57.84 1wh9 n PHE 8 Cb 0.00 -1.07 0.45 0.00 0.35 0.00 0.00 39.48 39.20 1wh9 n PHE 8 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1wh9 h LYS 9 N 0.00 0.49 0.07 -4.13 3.64 -1.96 0.47 116.57 115.15 1wh9 h LYS 9 Ca 0.47 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1wh9 h LYS 9 Cb 0.81 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1wh9 h LYS 9 CO -0.91 0.32 -0.03 0.00 -2.27 0.00 0.00 179.45 176.56 1wh9 h ALA 10 N 1.76 -0.09 -0.59 5.00 0.00 -0.90 -2.62 119.26 121.82 1wh9 h ALA 10 Ca 0.15 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.88 1wh9 h ALA 10 Cb -0.00 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1wh9 h ALA 10 CO -0.03 -0.20 0.13 0.93 0.00 0.00 0.00 179.25 180.08 1wh9 h GLU 11 N -0.79 0.26 -0.66 0.00 4.39 -1.01 0.12 114.58 116.88 1wh9 h GLU 11 Ca -0.01 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1wh9 h GLU 11 Cb 0.62 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1wh9 h GLU 11 CO 0.02 0.17 0.17 1.25 -1.16 0.00 0.00 179.01 179.45 1wh9 h LEU 12 N 0.27 1.00 0.16 1.33 5.85 -1.01 0.15 115.31 123.05 1wh9 h LEU 12 Ca 0.31 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1wh9 h LEU 12 Cb 0.45 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1wh9 h LEU 12 CO -0.39 0.97 -0.08 0.78 -0.34 0.00 0.00 178.44 179.39 1wh9 h ASN 13 N 0.98 -0.18 0.60 1.25 2.35 -0.93 -0.63 115.58 119.03 1wh9 h ASN 13 Ca 0.21 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 1wh9 h ASN 13 Cb 0.36 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1wh9 h ASN 13 CO 0.00 -0.02 -0.33 -0.33 -1.65 0.00 0.00 177.43 175.10 1wh9 h GLU 14 N -0.33 0.00 0.44 0.81 4.39 -0.60 -0.81 114.58 118.49 1wh9 h GLU 14 Ca -0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1wh9 h GLU 14 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1wh9 h GLU 14 CO 0.04 0.33 -0.21 0.35 -1.16 0.00 0.00 179.01 178.36 1wh9 h PHE 15 N 0.00 -0.55 -0.65 4.33 3.57 -0.68 -3.36 116.94 119.59 1wh9 h PHE 15 Ca -0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.53 1wh9 h PHE 15 Cb 0.72 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 1wh9 h PHE 15 CO 0.00 -0.34 0.43 -0.07 -2.23 0.00 0.00 178.31 176.10 1wh9 h LEU 16 N -0.84 0.63 -0.83 0.59 3.38 -0.90 -1.45 115.31 115.90 1wh9 h LEU 16 Ca -0.06 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.07 1wh9 h LEU 16 Cb 0.46 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 1wh9 h LEU 16 CO 0.10 0.42 0.37 0.74 0.09 0.00 0.00 178.44 180.16 1wh9 h THR 17 N 0.72 0.62 0.16 0.22 2.02 -1.30 -0.47 112.91 114.89 1wh9 h THR 17 Ca 0.27 -0.16 -0.27 0.00 0.77 0.00 0.00 66.41 67.02 1wh9 h THR 17 Cb 0.16 0.10 0.02 0.00 -1.74 0.00 0.00 68.15 66.68 1wh9 h THR 17 CO -0.08 0.09 -1.26 0.03 0.37 0.00 0.00 175.52 174.67 1wh9 h ARG 18 N 0.48 0.35 0.00 6.66 -0.00 -1.42 -3.01 114.38 117.44 1wh9 h ARG 18 Ca 0.47 -0.60 -0.02 0.00 -0.50 0.00 0.00 59.98 59.34 1wh9 h ARG 18 Cb 0.77 0.22 -0.00 0.00 0.00 0.00 0.00 29.97 30.96 1wh9 h ARG 18 CO -0.43 1.29 -0.10 0.93 0.00 0.00 0.00 179.97 181.65 1wh9 h GLU 19 N -0.18 0.00 -0.06 0.04 3.07 -1.10 -2.89 114.58 113.46 1wh9 h GLU 19 Ca -0.24 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.57 1wh9 h GLU 19 Cb 1.85 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.73 1wh9 h GLU 19 CO 0.15 0.10 -0.53 1.28 -1.40 0.00 0.00 179.01 178.62 1wh9 n LEU 20 N -3.22 2.88 -0.20 1.33 4.77 -0.22 -4.92 117.00 117.42 1wh9 n LEU 20 Ca 0.01 -3.97 -0.03 0.00 -0.03 0.00 0.00 56.01 51.99 1wh9 n LEU 20 Cb 0.38 -0.51 0.08 0.00 -2.33 0.00 0.00 43.42 41.04 1wh9 n LEU 20 CO 0.31 1.46 1.05 0.00 -1.33 0.00 0.00 177.39 178.88 1wh9 h ALA 21 N 1.10 0.78 -0.00 -1.18 0.00 -1.36 -1.82 119.26 116.77 1wh9 h ALA 21 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wh9 h ALA 21 Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1wh9 h ALA 21 CO 0.06 -0.03 -0.23 0.39 0.00 0.00 0.00 179.25 179.44 1wh9 n GLU 22 N -4.85 0.25 0.16 0.00 1.02 -1.26 -4.22 120.64 111.75 1wh9 n GLU 22 Ca 0.07 -0.10 0.13 0.00 -0.02 0.00 0.00 57.16 57.24 1wh9 n GLU 22 Cb 0.17 -1.50 0.38 0.00 -0.02 0.00 0.00 31.44 30.46 1wh9 n GLU 22 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1wh9 h ASP 23 N 0.24 0.00 -1.90 1.62 5.19 -1.72 -3.47 116.42 116.37 1wh9 h ASP 23 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1wh9 h ASP 23 Cb 0.46 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.98 1wh9 h ASP 23 CO 0.00 0.00 -0.02 0.61 -3.12 0.00 0.00 179.24 176.71 1wh9 n GLY 24 N 0.91 0.52 3.77 2.75 0.00 -1.25 -3.36 105.19 108.53 1wh9 n GLY 24 Ca 0.04 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.01 2.72 0.00 1.61 5.04 -1.24 -1.16 117.35 121.31 1wh9 s TYR 25 Ca 0.00 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 55.98 1wh9 s TYR 25 Cb -0.00 -3.77 0.00 0.00 0.35 0.00 0.00 41.96 38.54 1wh9 s TYR 25 CO 0.02 -2.38 0.00 0.43 -1.34 0.00 0.00 175.55 172.29 1wh9 n SER 26 N 0.12 3.45 0.00 4.32 7.64 -0.27 -4.92 113.62 123.96 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 0.43 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 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 2.16 -1.17 3.36 0.23 0.00 -0.69 -4.99 105.19 104.09 1wh9 n GLY 27 Ca 0.00 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.96 0.02 0.35 1.61 0.11 -1.26 -0.67 120.40 117.60 1wh9 s VAL 28 Ca 0.00 -0.17 0.09 0.00 -2.93 0.00 0.00 61.98 58.97 1wh9 s VAL 28 Cb 0.00 -0.72 -0.06 0.00 -1.53 0.00 0.00 36.38 34.07 1wh9 s VAL 28 CO 0.00 -0.10 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.02 1wh9 s GLU 29 N -0.64 1.94 -0.04 1.54 2.02 0.28 -4.94 118.70 118.86 1wh9 s GLU 29 Ca -0.07 -1.87 -0.04 0.00 0.02 0.00 0.00 54.97 53.00 1wh9 s GLU 29 Cb -0.03 -1.80 0.01 0.00 0.10 0.00 0.00 34.13 32.41 1wh9 s GLU 29 CO 0.04 0.12 0.12 0.54 0.02 0.00 0.00 175.26 176.10 1wh9 s VAL 30 N -2.58 0.01 0.32 2.63 0.11 -1.26 -1.02 120.40 118.61 1wh9 s VAL 30 Ca 0.34 -0.12 0.06 0.00 -2.93 0.00 0.00 61.98 59.33 1wh9 s VAL 30 Cb 0.02 -0.21 -0.06 0.00 -1.53 0.00 0.00 36.38 34.60 1wh9 s VAL 30 CO 0.18 -0.06 -0.01 -0.13 -3.33 0.00 0.00 175.10 171.75 1wh9 s ARG 31 N -0.16 1.66 -0.07 1.54 0.52 -0.05 -5.01 118.95 117.38 1wh9 s ARG 31 Ca -0.02 -1.89 -0.02 0.00 -0.52 0.00 0.00 55.73 53.28 1wh9 s ARG 31 Cb -0.02 -1.16 0.03 0.00 0.52 0.00 0.00 34.95 34.32 1wh9 s ARG 31 CO 0.00 -0.05 0.03 0.54 0.02 0.00 0.00 175.30 175.85 1wh9 s VAL 32 N -3.04 0.14 0.40 3.52 0.11 -1.26 -3.25 120.40 117.02 1wh9 s VAL 32 Ca 0.33 0.20 0.06 0.00 -2.93 0.00 0.00 61.98 59.64 1wh9 s VAL 32 Cb 0.06 -0.40 -0.07 0.00 -1.53 0.00 0.00 36.38 34.45 1wh9 s VAL 32 CO 0.14 0.16 0.02 0.42 -3.33 0.00 0.00 175.10 172.52 1wh9 s THR 33 N 2.06 1.76 -1.43 5.04 -4.23 -1.19 -5.02 115.64 112.64 1wh9 s THR 33 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1wh9 s THR 33 Cb -0.13 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1wh9 s THR 33 CO -0.05 0.00 0.66 -0.81 -0.54 0.00 0.00 174.62 173.88 1wh9 n PRO 34 N -0.94 0.92 0.02 3.99 -0.04 -1.26 -4.22 135.00 133.47 1wh9 n PRO 34 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1wh9 n PRO 34 Cb 0.67 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.19 0.17 -3.63 0.52 -2.24 -1.26 -5.14 114.28 102.51 1wh9 n THR 35 Ca 0.00 0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 1wh9 n THR 35 Cb 0.13 -1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 67.17 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 -2.00 1.15 0.56 -0.78 1.70 -1.26 -4.79 118.95 113.53 1wh9 s ARG 36 Ca 0.00 -0.72 -0.18 0.00 -0.47 0.00 0.00 55.73 54.36 1wh9 s ARG 36 Cb 0.00 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 34.82 1wh9 s ARG 36 CO 0.00 -0.46 1.09 0.99 -1.08 0.00 0.00 175.30 175.83 1wh9 s THR 37 N -3.81 3.47 -0.02 4.99 2.01 0.15 -3.18 115.64 119.25 1wh9 s THR 37 Ca 0.04 0.83 0.00 0.00 0.31 0.00 0.00 61.69 62.87 1wh9 s THR 37 Cb 0.01 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.22 1wh9 s THR 37 CO -0.10 -0.28 0.00 -1.61 -0.69 0.00 0.00 174.62 171.94 1wh9 s GLU 38 N -3.57 0.14 -0.10 4.92 2.02 -1.20 -1.04 118.70 119.87 1wh9 s GLU 38 Ca 0.68 0.07 0.01 0.00 0.02 0.00 0.00 54.97 55.75 1wh9 s GLU 38 Cb -0.20 -0.29 0.02 0.00 0.10 0.00 0.00 34.13 33.76 1wh9 s GLU 38 CO 0.29 -0.09 -0.10 0.42 0.02 0.00 0.00 175.26 175.80 1wh9 s ILE 39 N 0.70 1.16 -0.38 -1.63 1.01 -0.39 -0.87 121.20 120.79 1wh9 s ILE 39 Ca -0.06 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1wh9 s ILE 39 Cb -0.09 -1.11 0.12 0.00 0.01 0.00 0.00 42.46 41.38 1wh9 s ILE 39 CO -0.02 0.38 0.15 -0.63 0.00 0.00 0.00 174.94 174.83 1wh9 s ILE 40 N 1.28 1.56 0.18 2.92 1.09 -0.19 -0.73 121.20 127.32 1wh9 s ILE 40 Ca -0.02 -2.21 -0.30 0.00 -1.10 0.00 0.00 60.65 57.01 1wh9 s ILE 40 Cb -0.14 -2.13 -0.09 0.00 -1.06 0.00 0.00 42.46 39.04 1wh9 s ILE 40 CO -0.04 -0.75 1.36 -0.63 -0.10 0.00 0.00 174.94 174.79 1wh9 s ILE 41 N 0.82 3.12 -0.35 2.92 1.09 -1.26 -0.56 121.20 126.99 1wh9 s ILE 41 Ca 0.13 0.89 -0.13 0.00 -1.10 0.00 0.00 60.65 60.44 1wh9 s ILE 41 Cb -0.21 -3.57 -0.01 0.00 -1.06 0.00 0.00 42.46 37.61 1wh9 s ILE 41 CO -0.10 0.11 0.25 -0.76 -0.10 0.00 0.00 174.94 174.34 1wh9 s LEU 42 N 0.21 4.60 0.30 2.97 1.43 0.16 -1.73 118.68 126.62 1wh9 s LEU 42 Ca 0.60 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1wh9 s LEU 42 Cb -0.38 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 1wh9 s LEU 42 CO 0.37 -0.27 0.38 0.00 0.23 0.00 0.00 176.35 177.06 1wh9 s ALA 43 N 1.71 0.84 -0.28 4.21 0.00 -0.72 -1.11 121.76 126.41 1wh9 s ALA 43 Ca 0.06 -1.53 -0.13 0.00 0.00 0.00 0.00 51.96 50.36 1wh9 s ALA 43 Cb -0.18 1.24 -0.13 0.00 0.00 0.00 0.00 23.12 24.06 1wh9 s ALA 43 CO 0.10 -0.74 -0.34 0.25 0.00 0.00 0.00 175.76 175.03 1wh9 n THR 44 N -0.49 1.53 -2.07 0.00 -2.24 -0.30 -1.59 114.28 109.12 1wh9 n THR 44 Ca 0.02 -0.39 -0.40 0.00 -2.27 0.00 0.00 64.05 61.00 1wh9 n THR 44 Cb 0.63 -1.85 -0.00 0.00 -2.10 0.00 0.00 70.33 67.00 1wh9 n THR 44 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wh9 n ARG 45 N -4.18 4.50 0.11 -0.78 1.74 -1.21 -4.77 116.66 112.06 1wh9 n ARG 45 Ca -0.54 -3.53 0.17 0.00 -0.77 0.00 0.00 57.85 53.19 1wh9 n ARG 45 Cb 0.89 -2.66 0.72 0.00 -1.02 0.00 0.00 32.46 30.39 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 2.75 0.69 -0.85 0.55 1.35 -1.88 0.16 112.91 115.67 1wh9 h THR 46 Ca 0.65 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 66.57 1wh9 h THR 46 Cb 0.35 0.80 -0.05 0.00 -1.73 0.00 0.00 68.15 67.52 1wh9 h THR 46 CO 1.49 0.00 0.56 0.06 -0.25 0.00 0.00 175.52 177.37 1wh9 h GLN 47 N 0.00 0.94 -0.19 4.72 3.07 -1.98 -0.43 115.11 121.24 1wh9 h GLN 47 Ca 0.16 -0.06 -0.04 0.00 0.09 0.00 0.00 58.65 58.81 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 -0.00 0.62 -0.02 -0.91 0.09 0.00 0.00 178.83 178.60 1wh9 h ASN 48 N 0.97 0.35 -0.92 0.06 4.21 -1.06 -2.08 115.58 117.11 1wh9 h ASN 48 Ca 0.36 -0.34 0.01 0.00 1.21 0.00 0.00 56.30 57.54 1wh9 h ASN 48 Cb 0.18 -0.10 -0.05 0.00 -1.12 0.00 0.00 38.32 37.24 1wh9 h ASN 48 CO -0.13 0.61 0.61 0.58 -1.29 0.00 0.00 177.43 177.81 1wh9 h VAL 49 N 0.09 1.24 -0.33 2.81 2.07 -1.24 -0.77 116.25 120.12 1wh9 h VAL 49 Ca 0.05 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1wh9 h VAL 49 Cb 0.44 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1wh9 h VAL 49 CO 0.01 0.23 0.00 -0.07 0.02 0.00 0.00 177.57 177.77 1wh9 h LEU 50 N 1.26 0.57 -0.02 2.57 3.38 -1.11 -3.21 115.31 118.75 1wh9 h LEU 50 Ca 0.34 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1wh9 h LEU 50 Cb -0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1wh9 h LEU 50 CO -0.07 0.74 -0.04 0.61 0.09 0.00 0.00 178.44 179.76 1wh9 n GLY 51 N -0.35 -1.58 3.63 0.83 0.00 -0.30 -1.63 105.19 105.78 1wh9 n GLY 51 Ca -0.02 -1.50 -0.48 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.78 1.99 -1.77 1.61 2.13 -1.26 -0.82 120.64 120.74 1wh9 n GLU 52 Ca -0.00 0.68 -0.14 0.00 0.66 0.00 0.00 57.16 58.36 1wh9 n GLU 52 Cb 0.04 -2.73 -0.04 0.00 0.27 0.00 0.00 31.44 28.98 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 7.33 -1.58 -1.59 5.31 4.76 -1.26 -1.13 118.16 129.99 1wh9 n LYS 53 Ca 0.27 0.80 -0.01 0.00 -2.87 0.00 0.00 58.31 56.50 1wh9 n LYS 53 Cb 0.31 -5.19 -0.00 0.00 -1.84 0.00 0.00 35.03 28.31 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 -0.47 0.38 0.43 0.72 0.00 -0.00 -4.99 105.19 101.27 1wh9 n GLY 54 Ca -0.15 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 1wh9 n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wh9 h ARG 55 N 0.00 -0.99 -0.76 1.61 2.43 -1.02 -3.19 114.38 112.46 1wh9 h ARG 55 Ca -0.02 0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1wh9 h ARG 55 Cb 0.61 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 1wh9 h ARG 55 CO 0.03 -0.66 0.39 -0.09 -1.51 0.00 0.00 179.97 178.12 1wh9 h ARG 56 N -1.03 1.08 -0.75 0.20 9.65 -1.56 0.08 114.38 122.05 1wh9 h ARG 56 Ca -0.10 -0.15 0.04 0.00 -1.10 0.00 0.00 59.98 58.68 1wh9 h ARG 56 Cb 0.81 -0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 29.13 1wh9 h ARG 56 CO 0.14 0.82 0.46 0.97 2.80 0.00 0.00 179.97 185.17 1wh9 h ILE 57 N 1.06 1.06 -0.29 1.20 6.09 -1.37 0.57 117.51 125.84 1wh9 h ILE 57 Ca 0.26 -0.30 -0.13 0.00 -1.37 0.00 0.00 64.86 63.32 1wh9 h ILE 57 Cb 0.08 0.11 -0.00 0.00 0.47 0.00 0.00 36.82 37.48 1wh9 h ILE 57 CO -0.04 0.16 -0.34 0.03 -3.07 0.00 0.00 178.15 174.89 1wh9 h ARG 58 N 0.88 0.74 0.42 2.19 3.08 -1.42 -2.52 114.38 117.74 1wh9 h ARG 58 Ca 0.32 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1wh9 h ARG 58 Cb 0.09 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1wh9 h ARG 58 CO -0.14 1.03 -0.33 1.05 -1.07 0.00 0.00 179.97 180.51 1wh9 h GLU 59 N 0.48 -0.72 0.00 0.04 4.11 -0.34 -2.60 114.58 115.55 1wh9 h GLU 59 Ca 0.04 0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.51 1wh9 h GLU 59 Cb 0.92 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1wh9 h GLU 59 CO 0.08 -0.48 -0.05 -0.07 0.07 0.00 0.00 179.01 178.56 1wh9 h LEU 60 N -0.75 0.00 -0.12 3.06 3.38 -0.95 -1.19 115.31 118.75 1wh9 h LEU 60 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1wh9 h LEU 60 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1wh9 h LEU 60 CO -0.01 0.05 0.07 0.74 0.09 0.00 0.00 178.44 179.38 1wh9 h THR 61 N 0.00 1.07 -0.74 0.22 2.02 -1.05 0.14 112.91 114.57 1wh9 h THR 61 Ca -0.00 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 1wh9 h THR 61 Cb 0.15 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1wh9 h THR 61 CO 0.01 0.07 0.24 0.00 0.37 0.00 0.00 175.52 176.20 1wh9 h ALA 62 N 0.99 0.97 0.07 6.16 0.00 -1.20 0.38 119.26 126.63 1wh9 h ALA 62 Ca 0.04 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1wh9 h ALA 62 Cb 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1wh9 h ALA 62 CO -0.01 0.66 -0.20 0.28 0.00 0.00 0.00 179.25 179.98 1wh9 h VAL 63 N 1.10 0.54 -0.50 0.00 2.07 -0.97 -1.47 116.25 117.03 1wh9 h VAL 63 Ca 0.24 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.73 1wh9 h VAL 63 Cb 0.30 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1wh9 h VAL 63 CO -0.01 0.00 0.18 0.58 0.02 0.00 0.00 177.57 178.34 1wh9 h VAL 64 N -0.36 1.22 -0.88 2.57 2.07 -0.53 0.15 116.25 120.49 1wh9 h VAL 64 Ca 0.04 -0.70 0.13 0.00 0.82 0.00 0.00 66.70 66.99 1wh9 h VAL 64 Cb 0.40 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 1wh9 h VAL 64 CO -0.14 0.26 0.57 1.56 0.02 0.00 0.00 177.57 179.84 1wh9 h GLN 65 N 0.66 0.70 0.25 1.57 4.20 -0.70 0.57 115.11 122.36 1wh9 h GLN 65 Ca 0.16 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1wh9 h GLN 65 Cb 0.23 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1wh9 h GLN 65 CO -0.01 0.47 -0.12 -0.22 -0.67 0.00 0.00 178.83 178.27 1wh9 h LYS 66 N 0.72 -0.33 -0.27 1.46 3.64 -0.68 -1.54 116.57 119.57 1wh9 h LYS 66 Ca 0.44 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.92 1wh9 h LYS 66 Cb 0.65 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1wh9 h LYS 66 CO -0.20 -0.09 0.19 -0.09 -2.27 0.00 0.00 179.45 176.99 1wh9 h ARG 67 N -1.03 0.01 0.00 1.90 1.12 -0.24 -2.70 114.38 113.44 1wh9 h ARG 67 Ca -0.03 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 1wh9 h ARG 67 Cb 0.39 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.35 1wh9 h ARG 67 CO 0.06 0.00 0.00 1.19 -3.11 0.00 0.00 179.97 178.11 1wh9 n PHE 68 N -4.46 0.00 -1.76 2.20 3.72 0.15 -5.02 117.46 112.29 1wh9 n PHE 68 Ca 0.03 -0.10 -0.18 0.00 -0.05 0.00 0.00 57.45 57.15 1wh9 n PHE 68 Cb 0.35 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.82 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 -0.10 1.14 3.76 1.37 0.00 -0.61 -4.94 105.19 105.80 1wh9 n GLY 69 Ca 0.00 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.73 2.49 0.18 1.61 0.08 -1.00 -4.96 117.98 113.65 1wh9 s PHE 70 Ca 0.00 1.42 -0.32 0.00 0.12 0.00 0.00 56.93 58.16 1wh9 s PHE 70 Cb 0.00 -3.67 -0.11 0.00 -0.57 0.00 0.00 43.02 38.67 1wh9 s PHE 70 CO 0.00 -2.44 1.69 -1.25 -0.10 0.00 0.00 175.22 173.12 1wh9 s PRO 71 N -2.82 4.15 0.46 0.24 0.04 -1.26 -4.86 135.00 130.95 1wh9 s PRO 71 Ca 0.68 2.53 -0.24 0.00 0.04 0.00 0.00 61.00 64.01 1wh9 s PRO 71 Cb -0.37 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 30.93 1wh9 s PRO 71 CO 0.44 -0.72 1.35 0.39 0.04 0.00 0.00 177.00 178.50 1wh9 n GLU 72 N 4.20 2.00 -0.68 4.56 1.02 -1.26 -2.26 120.64 128.22 1wh9 n GLU 72 Ca 0.15 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 1wh9 n GLU 72 Cb 0.37 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 1wh9 n GLU 72 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wh9 n GLY 73 N 0.71 1.34 0.56 0.62 0.00 -1.26 -4.81 105.19 102.35 1wh9 n GLY 73 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 0.51 -4.03 1.61 7.64 -0.96 -4.87 113.62 113.51 1wh9 n SER 74 Ca 0.00 -2.21 -0.20 0.00 1.01 0.00 0.00 58.87 57.48 1wh9 n SER 74 Cb 0.00 -0.25 -0.15 0.00 -1.01 0.00 0.00 64.21 62.80 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 -0.50 0.81 0.15 0.44 0.11 -1.20 -0.67 120.40 119.54 1wh9 s VAL 75 Ca 0.10 -0.42 0.08 0.00 -2.93 0.00 0.00 61.98 58.80 1wh9 s VAL 75 Cb 0.10 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 1wh9 s VAL 75 CO -0.02 0.24 -0.17 -1.61 -3.33 0.00 0.00 175.10 170.21 1wh9 s GLU 76 N -0.12 1.20 -0.16 1.54 0.41 -0.21 -4.94 118.70 116.43 1wh9 s GLU 76 Ca 0.02 -1.35 -0.02 0.00 -0.41 0.00 0.00 54.97 53.21 1wh9 s GLU 76 Cb -0.05 -1.21 0.05 0.00 -1.78 0.00 0.00 34.13 31.14 1wh9 s GLU 76 CO -0.00 0.24 -0.00 -0.51 -0.49 0.00 0.00 175.26 174.50 1wh9 s LEU 77 N -2.59 1.20 0.51 1.80 1.02 -1.26 -1.27 118.68 118.09 1wh9 s LEU 77 Ca 0.14 -0.60 0.07 0.00 0.02 0.00 0.00 54.13 53.75 1wh9 s LEU 77 Cb -0.06 -0.67 0.03 0.00 0.02 0.00 0.00 46.19 45.52 1wh9 s LEU 77 CO 0.05 -0.24 0.45 -0.31 0.02 0.00 0.00 176.35 176.32 1wh9 s TYR 78 N 1.81 1.88 -0.12 0.29 2.02 0.10 -4.99 117.35 118.33 1wh9 s TYR 78 Ca 0.01 -0.73 -0.04 0.00 -0.37 0.00 0.00 57.07 55.94 1wh9 s TYR 78 Cb -0.15 -2.02 0.05 0.00 -0.40 0.00 0.00 41.96 39.44 1wh9 s TYR 78 CO -0.07 -0.47 0.11 0.00 -1.57 0.00 0.00 175.55 173.54 1wh9 s ALA 79 N -2.68 0.18 -0.02 3.71 0.00 -1.26 -3.98 121.76 117.70 1wh9 s ALA 79 Ca 0.42 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.48 1wh9 s ALA 79 Cb -0.03 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1wh9 s ALA 79 CO 0.25 -0.86 -0.15 -1.21 0.00 0.00 0.00 175.76 173.79 1wh9 s GLU 80 N 2.20 2.40 0.38 0.00 2.02 -0.70 -5.02 118.70 119.98 1wh9 s GLU 80 Ca 0.04 -0.77 -0.07 0.00 0.02 0.00 0.00 54.97 54.19 1wh9 s GLU 80 Cb -0.14 -2.33 -0.05 0.00 0.10 0.00 0.00 34.13 31.70 1wh9 s GLU 80 CO -0.07 0.60 0.69 0.21 0.02 0.00 0.00 175.26 176.72 1wh9 s LYS 81 N -0.93 3.66 0.30 1.61 2.20 -1.26 -1.76 119.74 123.57 1wh9 s LYS 81 Ca 0.13 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1wh9 s LYS 81 Cb -0.11 -2.48 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 1wh9 s LYS 81 CO 0.02 0.01 0.49 0.14 -0.36 0.00 0.00 175.35 175.66 1wh9 s VAL 82 N -2.36 5.14 0.00 4.02 -7.23 -0.62 -4.75 120.40 114.60 1wh9 s VAL 82 Ca 0.47 -0.47 0.00 0.00 -1.81 0.00 0.00 61.98 60.18 1wh9 s VAL 82 Cb -0.10 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 33.01 1wh9 s VAL 82 CO 0.34 -0.43 0.00 0.00 -0.31 0.00 0.00 175.10 174.70 1wh9 n ALA 83 N -1.43 0.00 -1.28 1.32 0.00 -1.26 -4.94 120.51 112.92 1wh9 n ALA 83 Ca -0.05 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.55 1wh9 n ALA 83 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 1wh9 n ALA 83 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wh9 n THR 84 N 0.00 -0.03 -3.97 0.00 -1.04 -1.26 -5.06 114.28 102.92 1wh9 n THR 84 Ca 0.00 0.45 -0.11 0.00 -2.04 0.00 0.00 64.05 62.35 1wh9 n THR 84 Cb 0.00 -0.88 -0.03 0.00 -1.82 0.00 0.00 70.33 67.60 1wh9 n THR 84 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1wh9 s ARG 85 N -3.16 1.85 1.79 -2.82 3.52 -1.26 -5.06 118.95 113.80 1wh9 s ARG 85 Ca 0.00 -1.43 0.00 0.00 -0.13 0.00 0.00 55.73 54.17 1wh9 s ARG 85 Cb 0.00 0.51 0.00 0.00 -1.56 0.00 0.00 34.95 33.90 1wh9 s ARG 85 CO 0.00 -0.80 0.00 0.41 -0.81 0.00 0.00 175.30 174.10 1wh9 n GLY 86 N -0.48 1.95 4.76 8.12 0.00 -1.26 -5.01 105.19 113.27 1wh9 n GLY 86 Ca -0.03 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.89 1wh9 n GLY 86 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wh9 n SER 87 N 5.51 -5.20 -3.72 1.61 2.88 -1.26 -4.87 113.62 108.57 1wh9 n SER 87 Ca 0.00 0.44 -0.30 0.00 -1.33 0.00 0.00 58.87 57.69 1wh9 n SER 87 Cb 0.00 -1.25 -0.15 0.00 -0.75 0.00 0.00 64.21 62.06 1wh9 n SER 87 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wh9 s GLY 88 N -5.15 1.00 0.85 0.46 0.00 -1.26 -5.14 107.32 98.09 1wh9 s GLY 88 Ca 0.00 -1.54 -0.11 0.00 0.00 0.00 0.00 44.72 43.07 1wh9 s GLY 88 CO 0.00 1.62 1.09 2.56 0.00 0.00 0.00 173.10 178.38 1wh9 s PRO 89 N 1.67 1.61 0.22 2.90 0.04 -1.26 -4.91 135.00 135.27 1wh9 s PRO 89 Ca 0.09 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1wh9 s PRO 89 Cb -0.17 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1wh9 s PRO 89 CO -0.25 -2.01 0.00 0.43 0.04 0.00 0.00 177.00 175.21 1wh9 n SER 90 N -3.74 -3.98 -2.98 6.66 7.64 -1.26 -5.02 113.62 110.94 1wh9 n SER 90 Ca 0.07 0.46 -0.01 0.00 1.01 0.00 0.00 58.87 60.41 1wh9 n SER 90 Cb 0.55 -2.14 0.00 0.00 -1.01 0.00 0.00 64.21 61.61 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 -5.93 -1.37 0.00 6.43 0.01 -1.26 -5.29 113.70 106.30 1wh9 s SER 91 Ca 0.00 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.17 1wh9 s SER 91 Cb 0.00 1.77 0.00 0.00 0.21 0.00 0.00 66.02 68.00 1wh9 s SER 91 CO 0.00 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.15