#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 6.37 -0.46 1.61 0.15 -1.26 -4.96 113.70 115.15 1wh9 s SER 2 Ca 0.00 2.86 0.07 0.00 0.70 0.00 0.00 55.95 59.58 1wh9 s SER 2 Cb 0.00 -2.66 0.24 0.00 -1.71 0.00 0.00 66.02 61.89 1wh9 s SER 2 CO 0.00 -0.83 0.75 -1.54 1.20 0.00 0.00 173.24 172.82 1wh9 n SER 3 N 0.38 -1.89 0.00 5.45 3.41 -1.26 -5.11 113.62 114.60 1wh9 n SER 3 Ca 0.02 -3.07 0.00 0.00 -0.26 0.00 0.00 58.87 55.56 1wh9 n SER 3 Cb 0.41 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 1wh9 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wh9 n GLY 4 N 1.65 5.64 0.00 5.00 0.00 -1.26 -4.55 105.19 111.68 1wh9 n GLY 4 Ca 0.14 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1wh9 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh9 n SER 5 N 0.00 0.00 -4.36 1.61 7.64 -1.26 -4.99 113.62 112.25 1wh9 n SER 5 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1wh9 n SER 5 Cb 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.00 -2.45 0.00 6.43 7.64 -1.26 -3.87 113.62 120.12 1wh9 n SER 6 Ca 0.00 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1wh9 n SER 6 Cb 0.00 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 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 1.73 1.34 0.18 0.23 0.00 -1.26 -4.63 105.19 102.78 1wh9 n GLY 7 Ca 0.05 -1.40 -0.03 0.00 0.00 0.00 0.00 46.02 44.64 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 0.14 -0.63 1.61 3.57 -2.01 -2.73 116.94 116.89 1wh9 h PHE 8 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1wh9 h PHE 8 Cb 0.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1wh9 h PHE 8 CO 0.00 0.00 0.32 -0.22 -2.23 0.00 0.00 178.31 176.18 1wh9 h LYS 9 N 0.22 0.88 0.34 1.11 3.64 -1.95 -1.60 116.57 119.22 1wh9 h LYS 9 Ca 0.22 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1wh9 h LYS 9 Cb 0.28 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1wh9 h LYS 9 CO -0.29 0.67 -0.16 0.00 -2.27 0.00 0.00 179.45 177.39 1wh9 h ALA 10 N 1.47 -0.45 -0.67 5.00 0.00 -1.75 0.40 119.26 123.25 1wh9 h ALA 10 Ca 0.22 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1wh9 h ALA 10 Cb 0.06 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1wh9 h ALA 10 CO -0.03 -0.68 0.40 0.93 0.00 0.00 0.00 179.25 179.87 1wh9 h GLU 11 N -0.60 0.75 -0.50 0.00 4.39 -1.25 -0.83 114.58 116.53 1wh9 h GLU 11 Ca -0.05 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 1wh9 h GLU 11 Cb 0.44 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1wh9 h GLU 11 CO 0.08 0.49 0.06 1.25 -1.16 0.00 0.00 179.01 179.73 1wh9 h LEU 12 N 0.77 0.82 0.04 1.33 5.85 -1.22 0.37 115.31 123.28 1wh9 h LEU 12 Ca 0.28 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wh9 h LEU 12 Cb 0.08 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1wh9 h LEU 12 CO -0.13 0.89 -0.02 -1.13 -0.34 0.00 0.00 178.44 177.70 1wh9 h ASN 13 N 0.72 -0.05 -0.81 1.25 -1.24 -0.59 -1.19 115.58 113.67 1wh9 h ASN 13 Ca 0.15 -0.04 0.02 0.00 0.71 0.00 0.00 56.30 57.13 1wh9 h ASN 13 Cb 0.43 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.45 1wh9 h ASN 13 CO 0.01 0.01 0.54 -0.33 -1.29 0.00 0.00 177.43 176.37 1wh9 h GLU 14 N -0.11 1.03 0.93 6.67 4.39 -1.04 0.03 114.58 126.48 1wh9 h GLU 14 Ca -0.01 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1wh9 h GLU 14 Cb 0.09 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1wh9 h GLU 14 CO 0.01 0.68 -0.47 0.35 -1.16 0.00 0.00 179.01 178.42 1wh9 h PHE 15 N 1.06 -1.23 -0.60 4.33 3.57 -0.56 -3.17 116.94 120.35 1wh9 h PHE 15 Ca 0.31 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.81 1wh9 h PHE 15 Cb -0.06 0.41 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1wh9 h PHE 15 CO -0.00 -0.75 0.39 -0.07 -2.23 0.00 0.00 178.31 175.66 1wh9 h LEU 16 N -1.28 0.61 -1.88 0.59 3.38 -1.09 -2.67 115.31 112.97 1wh9 h LEU 16 Ca -0.13 -0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.02 1wh9 h LEU 16 Cb 0.99 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1wh9 h LEU 16 CO 0.19 0.43 0.49 0.74 0.09 0.00 0.00 178.44 180.38 1wh9 h THR 17 N 0.71 0.69 0.00 0.22 2.02 -0.95 -0.52 112.91 115.09 1wh9 h THR 17 Ca 0.24 -0.04 -0.15 0.00 0.77 0.00 0.00 66.41 67.23 1wh9 h THR 17 Cb 0.06 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1wh9 h THR 17 CO -0.06 0.02 -1.01 0.54 0.37 0.00 0.00 175.52 175.38 1wh9 n ARG 18 N -4.38 0.52 -0.36 6.66 1.74 -1.02 -3.54 116.66 116.29 1wh9 n ARG 18 Ca 0.14 0.54 0.10 0.00 -0.77 0.00 0.00 57.85 57.86 1wh9 n ARG 18 Cb 0.69 -1.71 0.28 0.00 -1.02 0.00 0.00 32.46 30.70 1wh9 n ARG 18 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1wh9 h GLU 19 N -1.00 0.85 -0.39 5.56 4.39 -1.41 -1.86 114.58 120.72 1wh9 h GLU 19 Ca -0.22 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1wh9 h GLU 19 Cb 1.00 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1wh9 h GLU 19 CO -0.13 0.56 0.00 1.28 -1.16 0.00 0.00 179.01 179.56 1wh9 n LEU 20 N -4.69 4.45 0.03 1.33 4.77 -0.22 -4.75 117.00 117.92 1wh9 n LEU 20 Ca 0.21 -2.88 -0.12 0.00 -0.03 0.00 0.00 56.01 53.19 1wh9 n LEU 20 Cb 0.47 -0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 40.91 1wh9 n LEU 20 CO 0.24 0.68 0.82 0.00 -1.33 0.00 0.00 177.39 177.80 1wh9 h ALA 21 N 2.66 -0.01 0.00 -1.18 0.00 -1.38 -2.28 119.26 117.07 1wh9 h ALA 21 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wh9 h ALA 21 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1wh9 h ALA 21 CO 0.29 -0.45 0.00 0.93 0.00 0.00 0.00 179.25 180.02 1wh9 h GLU 22 N -0.12 0.00 -0.26 0.00 4.39 -1.85 -3.17 114.58 113.57 1wh9 h GLU 22 Ca -0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1wh9 h GLU 22 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1wh9 h GLU 22 CO 0.00 0.00 -0.47 -0.44 -1.16 0.00 0.00 179.01 176.94 1wh9 h ASP 23 N 0.00 0.86 0.00 1.42 5.19 -1.83 -3.48 116.42 118.58 1wh9 h ASP 23 Ca 0.00 -0.53 0.00 0.00 -0.62 0.00 0.00 57.03 55.88 1wh9 h ASP 23 Cb 0.74 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1wh9 h ASP 23 CO 0.00 1.23 0.00 0.61 -3.12 0.00 0.00 179.24 177.96 1wh9 n GLY 24 N 0.37 0.98 3.52 2.75 0.00 -0.89 -4.38 105.19 107.55 1wh9 n GLY 24 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.94 1.37 0.00 1.61 5.04 -1.00 -1.74 117.35 121.68 1wh9 s TYR 25 Ca 0.00 1.33 0.00 0.00 -2.44 0.00 0.00 57.07 55.96 1wh9 s TYR 25 Cb 0.00 -3.15 0.00 0.00 0.35 0.00 0.00 41.96 39.16 1wh9 s TYR 25 CO 0.00 -3.69 0.00 0.43 -1.34 0.00 0.00 175.55 170.95 1wh9 n SER 26 N -4.81 0.00 0.00 4.32 7.64 -0.87 -4.82 113.62 115.08 1wh9 n SER 26 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1wh9 n SER 26 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 -0.32 -1.32 3.27 0.23 0.00 -1.05 -5.00 105.19 101.00 1wh9 n GLY 27 Ca 0.00 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 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 0.05 0.25 1.61 0.11 -1.26 -0.55 120.40 117.60 1wh9 s VAL 28 Ca 0.00 -0.41 0.10 0.00 -2.93 0.00 0.00 61.98 58.74 1wh9 s VAL 28 Cb 0.00 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1wh9 s VAL 28 CO 0.00 -0.22 -0.07 -1.61 -3.33 0.00 0.00 175.10 169.87 1wh9 s GLU 29 N -1.24 2.11 -0.03 1.54 2.02 0.25 -4.95 118.70 118.40 1wh9 s GLU 29 Ca -0.13 -1.45 -0.01 0.00 0.02 0.00 0.00 54.97 53.41 1wh9 s GLU 29 Cb -0.05 -2.08 0.03 0.00 0.10 0.00 0.00 34.13 32.13 1wh9 s GLU 29 CO 0.05 0.38 0.04 0.54 0.02 0.00 0.00 175.26 176.28 1wh9 s VAL 30 N -2.19 -0.02 -0.07 2.63 0.11 -1.26 -1.02 120.40 118.58 1wh9 s VAL 30 Ca 0.29 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.62 1wh9 s VAL 30 Cb -0.07 -0.16 0.02 0.00 -1.53 0.00 0.00 36.38 34.64 1wh9 s VAL 30 CO 0.18 0.14 -0.05 -0.13 -3.33 0.00 0.00 175.10 171.91 1wh9 s ARG 31 N 1.54 1.01 -0.13 1.54 0.52 -0.67 -5.02 118.95 117.74 1wh9 s ARG 31 Ca -0.03 -0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 1wh9 s ARG 31 Cb -0.13 -1.08 -0.01 0.00 0.52 0.00 0.00 34.95 34.26 1wh9 s ARG 31 CO -0.03 -0.16 -0.17 0.54 0.02 0.00 0.00 175.30 175.51 1wh9 s VAL 32 N 1.29 2.65 0.45 3.52 0.11 -1.26 -0.48 120.40 126.68 1wh9 s VAL 32 Ca -0.05 -0.79 0.04 0.00 -2.93 0.00 0.00 61.98 58.24 1wh9 s VAL 32 Cb -0.14 -2.09 -0.04 0.00 -1.53 0.00 0.00 36.38 32.58 1wh9 s VAL 32 CO -0.02 0.53 0.02 0.42 -3.33 0.00 0.00 175.10 172.72 1wh9 s THR 33 N 0.55 1.38 -2.00 5.04 -4.23 -1.21 -5.01 115.64 110.16 1wh9 s THR 33 Ca -0.10 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.50 1wh9 s THR 33 Cb -0.16 -2.50 0.28 0.00 1.34 0.00 0.00 72.50 71.45 1wh9 s THR 33 CO 0.04 0.00 1.02 -0.81 -0.54 0.00 0.00 174.62 174.33 1wh9 n PRO 34 N -1.09 0.48 0.00 3.99 -0.04 -1.26 -3.87 135.00 133.22 1wh9 n PRO 34 Ca -0.12 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.31 1wh9 n PRO 34 Cb 0.67 -1.31 -0.01 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.81 1.31 -3.49 0.52 -2.24 -1.26 -5.13 114.28 103.18 1wh9 n THR 35 Ca 0.07 0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 62.03 1wh9 n THR 35 Cb 0.03 -1.84 -0.04 0.00 -2.10 0.00 0.00 70.33 66.39 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 -2.30 1.18 0.55 -0.78 1.70 -1.25 -4.92 118.95 113.13 1wh9 s ARG 36 Ca -0.10 -0.31 -0.21 0.00 -0.47 0.00 0.00 55.73 54.64 1wh9 s ARG 36 Cb 0.01 0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 34.89 1wh9 s ARG 36 CO 0.14 -0.47 1.29 0.99 -1.08 0.00 0.00 175.30 176.17 1wh9 s THR 37 N -3.05 2.34 -0.02 4.99 2.01 -0.56 -3.34 115.64 118.01 1wh9 s THR 37 Ca -0.02 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.23 1wh9 s THR 37 Cb -0.00 -3.12 0.01 0.00 0.01 0.00 0.00 72.50 69.40 1wh9 s THR 37 CO -0.07 -0.02 -0.01 -1.61 -0.69 0.00 0.00 174.62 172.22 1wh9 s GLU 38 N -3.02 0.27 -0.13 4.92 2.02 0.37 -0.92 118.70 122.22 1wh9 s GLU 38 Ca 0.73 -0.01 0.01 0.00 0.02 0.00 0.00 54.97 55.72 1wh9 s GLU 38 Cb -0.36 -0.35 0.02 0.00 0.10 0.00 0.00 34.13 33.53 1wh9 s GLU 38 CO 0.42 -0.04 -0.15 0.42 0.02 0.00 0.00 175.26 175.93 1wh9 s ILE 39 N 0.47 1.53 -0.43 -1.63 1.01 -0.06 -1.67 121.20 120.42 1wh9 s ILE 39 Ca -0.05 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1wh9 s ILE 39 Cb -0.07 -1.41 0.12 0.00 0.01 0.00 0.00 42.46 41.10 1wh9 s ILE 39 CO -0.01 0.45 0.18 -0.63 0.00 0.00 0.00 174.94 174.93 1wh9 s ILE 40 N 1.20 2.06 0.32 2.92 1.09 -0.19 -0.43 121.20 128.16 1wh9 s ILE 40 Ca -0.02 -2.67 -0.29 0.00 -1.10 0.00 0.00 60.65 56.58 1wh9 s ILE 40 Cb -0.14 -2.47 -0.10 0.00 -1.06 0.00 0.00 42.46 38.69 1wh9 s ILE 40 CO -0.05 -0.75 1.27 -0.63 -0.10 0.00 0.00 174.94 174.67 1wh9 s ILE 41 N 0.40 2.89 -0.30 2.92 1.09 -1.23 -0.59 121.20 126.38 1wh9 s ILE 41 Ca 0.15 0.89 -0.08 0.00 -1.10 0.00 0.00 60.65 60.51 1wh9 s ILE 41 Cb -0.23 -3.56 0.00 0.00 -1.06 0.00 0.00 42.46 37.61 1wh9 s ILE 41 CO -0.05 0.21 0.10 -0.76 -0.10 0.00 0.00 174.94 174.34 1wh9 s LEU 42 N -1.65 3.89 0.31 2.97 1.43 0.28 -1.12 118.68 124.80 1wh9 s LEU 42 Ca 0.48 -0.64 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 1wh9 s LEU 42 Cb -0.38 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 43.93 1wh9 s LEU 42 CO 0.50 -0.18 0.46 0.00 0.23 0.00 0.00 176.35 177.35 1wh9 s ALA 43 N 1.53 0.51 -0.20 4.21 0.00 -1.00 -2.05 121.76 124.77 1wh9 s ALA 43 Ca 0.03 -1.35 0.21 0.00 0.00 0.00 0.00 51.96 50.85 1wh9 s ALA 43 Cb -0.17 1.14 -0.05 0.00 0.00 0.00 0.00 23.12 24.04 1wh9 s ALA 43 CO 0.03 -0.80 0.97 0.25 0.00 0.00 0.00 175.76 176.21 1wh9 n THR 44 N -0.50 0.77 -3.25 0.00 -2.24 -0.71 -1.09 114.28 107.26 1wh9 n THR 44 Ca 0.00 -0.59 -0.25 0.00 -2.27 0.00 0.00 64.05 60.94 1wh9 n THR 44 Cb 0.62 -0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.73 0.93 -0.05 -0.78 5.12 -1.26 -4.89 116.66 113.00 1wh9 n ARG 45 Ca -0.03 -3.43 0.09 0.00 -1.93 0.00 0.00 57.85 52.56 1wh9 n ARG 45 Cb 0.63 -1.40 0.48 0.00 -1.16 0.00 0.00 32.46 31.02 1wh9 n ARG 45 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1wh9 h THR 46 N 2.39 0.96 -0.69 0.55 1.35 -1.89 0.39 112.91 115.97 1wh9 h THR 46 Ca 0.10 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1wh9 h THR 46 Cb 0.85 0.49 -0.03 0.00 -1.73 0.00 0.00 68.15 67.72 1wh9 h THR 46 CO 0.51 0.08 0.45 0.06 -0.25 0.00 0.00 175.52 176.37 1wh9 h GLN 47 N 0.44 0.92 -0.16 4.72 -0.00 -1.94 -0.80 115.11 118.28 1wh9 h GLN 47 Ca 0.23 -0.06 -0.12 0.00 -0.00 0.00 0.00 58.65 58.70 1wh9 h GLN 47 Cb 0.35 -0.20 0.00 0.00 -0.00 0.00 0.00 27.48 27.63 1wh9 h GLN 47 CO -0.06 0.62 -0.38 -0.97 -0.00 0.00 0.00 178.83 178.03 1wh9 h ASN 48 N 0.94 0.62 -0.05 0.06 -0.73 -1.27 -1.94 115.58 113.21 1wh9 h ASN 48 Ca 0.25 -0.57 0.02 0.00 1.87 0.00 0.00 56.30 57.87 1wh9 h ASN 48 Cb -0.09 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.30 1wh9 h ASN 48 CO -0.05 1.08 -0.06 0.58 -0.37 0.00 0.00 177.43 178.61 1wh9 h VAL 49 N 0.19 0.83 -0.09 2.57 2.07 -1.07 -1.80 116.25 118.95 1wh9 h VAL 49 Ca -0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1wh9 h VAL 49 Cb 0.99 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1wh9 h VAL 49 CO 0.08 0.00 -0.23 -0.07 0.02 0.00 0.00 177.57 177.37 1wh9 h LEU 50 N -0.08 0.16 -0.06 2.57 3.38 -1.18 -3.32 115.31 116.77 1wh9 h LEU 50 Ca 0.04 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1wh9 h LEU 50 Cb 0.14 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1wh9 h LEU 50 CO -0.10 0.40 -0.13 0.61 0.09 0.00 0.00 178.44 179.31 1wh9 n GLY 51 N -0.69 -1.49 3.67 0.83 0.00 -0.68 -1.00 105.19 105.83 1wh9 n GLY 51 Ca -0.01 -1.45 -0.47 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.86 2.11 -1.57 1.61 2.13 -1.26 -3.01 120.64 118.78 1wh9 n GLU 52 Ca 0.00 0.77 -0.12 0.00 0.66 0.00 0.00 57.16 58.46 1wh9 n GLU 52 Cb 0.15 -2.56 -0.04 0.00 0.27 0.00 0.00 31.44 29.25 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 4.83 -1.46 -0.55 5.31 4.76 -1.26 -1.30 118.16 128.49 1wh9 n LYS 53 Ca 0.20 0.71 0.00 0.00 -2.87 0.00 0.00 58.31 56.35 1wh9 n LYS 53 Cb 0.28 -5.01 0.00 0.00 -1.84 0.00 0.00 35.03 28.46 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 -0.34 0.71 0.31 0.72 0.00 -1.17 -5.00 105.19 100.41 1wh9 n GLY 54 Ca -0.13 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 1.67 -0.48 -0.49 1.61 2.43 -0.77 -1.35 114.38 117.01 1wh9 h ARG 55 Ca 0.00 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 1wh9 h ARG 55 Cb 0.00 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1wh9 h ARG 55 CO 0.00 -0.32 -0.16 0.00 -1.51 0.00 0.00 179.97 177.98 1wh9 h ARG 56 N -0.49 0.94 -0.68 0.20 -0.00 -1.30 -1.21 114.38 111.83 1wh9 h ARG 56 Ca 0.03 -0.36 -0.04 0.00 -0.50 0.00 0.00 59.98 59.10 1wh9 h ARG 56 Cb 0.52 -0.05 -0.03 0.00 0.00 0.00 0.00 29.97 30.41 1wh9 h ARG 56 CO -0.16 1.03 0.26 0.97 0.00 0.00 0.00 179.97 182.07 1wh9 h ILE 57 N 0.83 1.24 -0.79 2.04 2.10 -1.41 0.19 117.51 121.71 1wh9 h ILE 57 Ca 0.12 -0.76 -0.02 0.00 1.08 0.00 0.00 64.86 65.28 1wh9 h ILE 57 Cb 0.71 0.43 -0.04 0.00 -1.09 0.00 0.00 36.82 36.84 1wh9 h ILE 57 CO 0.05 0.30 0.42 0.03 -1.08 0.00 0.00 178.15 177.88 1wh9 h ARG 58 N 0.99 1.11 0.79 2.19 2.47 -0.92 0.01 114.38 121.02 1wh9 h ARG 58 Ca 0.23 -0.14 -0.04 0.00 -1.26 0.00 0.00 59.98 58.77 1wh9 h ARG 58 Cb 0.21 -0.21 0.01 0.00 -1.65 0.00 0.00 29.97 28.32 1wh9 h ARG 58 CO -0.02 0.83 -0.38 0.93 0.56 0.00 0.00 179.97 181.89 1wh9 h GLU 59 N 1.10 -1.02 -0.94 0.04 5.08 -0.69 -3.16 114.58 114.99 1wh9 h GLU 59 Ca 0.28 0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.80 1wh9 h GLU 59 Cb 0.05 0.23 -0.08 0.00 0.50 0.00 0.00 28.75 29.46 1wh9 h GLU 59 CO -0.04 -0.67 0.58 -0.07 -1.00 0.00 0.00 179.01 177.81 1wh9 h LEU 60 N -1.15 0.86 -0.17 1.33 3.38 -0.38 0.31 115.31 119.48 1wh9 h LEU 60 Ca -0.11 0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1wh9 h LEU 60 Cb 0.82 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1wh9 h LEU 60 CO 0.18 0.49 -0.10 0.74 0.09 0.00 0.00 178.44 179.84 1wh9 h THR 61 N 0.96 0.69 -0.38 0.22 2.02 -1.10 -0.82 112.91 114.51 1wh9 h THR 61 Ca 0.45 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.55 1wh9 h THR 61 Cb 0.37 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1wh9 h THR 61 CO -0.24 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.61 1wh9 h ALA 62 N 1.05 0.52 -0.02 6.16 0.00 -0.97 0.85 119.26 126.86 1wh9 h ALA 62 Ca 0.10 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wh9 h ALA 62 Cb 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1wh9 h ALA 62 CO -0.23 0.34 0.01 -0.24 0.00 0.00 0.00 179.25 179.13 1wh9 h VAL 63 N 0.52 1.08 -0.42 0.00 3.04 -1.08 -1.74 116.25 117.63 1wh9 h VAL 63 Ca 0.10 -0.22 0.06 0.00 -1.01 0.00 0.00 66.70 65.63 1wh9 h VAL 63 Cb 0.54 1.18 -0.05 0.00 -2.01 0.00 0.00 31.29 30.95 1wh9 h VAL 63 CO 0.03 0.06 0.13 0.58 -1.01 0.00 0.00 177.57 177.36 1wh9 h VAL 64 N -0.05 0.84 -0.50 1.51 2.07 -1.05 0.30 116.25 119.37 1wh9 h VAL 64 Ca 0.01 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.51 1wh9 h VAL 64 Cb 0.09 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 1wh9 h VAL 64 CO -0.00 0.05 0.14 1.56 0.02 0.00 0.00 177.57 179.34 1wh9 h GLN 65 N 0.29 0.28 -0.11 1.57 4.20 -0.62 -0.01 115.11 120.71 1wh9 h GLN 65 Ca 0.20 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.70 1wh9 h GLN 65 Cb 0.21 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.93 1wh9 h GLN 65 CO -0.22 0.19 -0.67 -0.22 -0.67 0.00 0.00 178.83 177.23 1wh9 h LYS 66 N 0.29 0.65 0.13 1.46 3.64 -0.85 0.50 116.57 122.40 1wh9 h LYS 66 Ca 0.25 -0.55 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1wh9 h LYS 66 Cb 0.31 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1wh9 h LYS 66 CO -0.29 1.17 -0.06 -0.09 -2.27 0.00 0.00 179.45 177.90 1wh9 h ARG 67 N 0.31 -0.17 -0.15 1.90 1.12 -0.55 -3.19 114.38 113.65 1wh9 h ARG 67 Ca -0.05 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 1wh9 h ARG 67 Cb 1.32 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.32 1wh9 h ARG 67 CO 0.14 0.05 0.00 1.19 -3.11 0.00 0.00 179.97 178.24 1wh9 n PHE 68 N -5.08 0.18 -1.26 2.20 3.01 -0.05 -4.97 117.46 111.49 1wh9 n PHE 68 Ca -0.09 -0.09 -0.09 0.00 1.01 0.00 0.00 57.45 58.20 1wh9 n PHE 68 Cb 0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.60 1wh9 n PHE 68 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wh9 n GLY 69 N 1.38 1.05 3.75 1.37 0.00 0.05 -4.98 105.19 107.80 1wh9 n GLY 69 Ca 0.16 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.27 2.29 0.09 1.61 0.08 -0.50 -4.98 117.98 114.30 1wh9 s PHE 70 Ca 0.00 1.49 -0.30 0.00 0.12 0.00 0.00 56.93 58.24 1wh9 s PHE 70 Cb 0.00 -3.59 -0.06 0.00 -0.57 0.00 0.00 43.02 38.81 1wh9 s PHE 70 CO 0.00 -2.52 1.06 -1.25 -0.10 0.00 0.00 175.22 172.41 1wh9 s PRO 71 N -3.28 4.57 0.41 0.24 0.04 -1.26 -4.81 135.00 130.91 1wh9 s PRO 71 Ca 0.78 1.59 -0.26 0.00 0.04 0.00 0.00 61.00 63.15 1wh9 s PRO 71 Cb -0.34 -3.36 -0.10 0.00 0.04 0.00 0.00 34.50 30.74 1wh9 s PRO 71 CO 0.37 0.00 1.33 -1.91 0.04 0.00 0.00 177.00 176.83 1wh9 n GLU 72 N 3.21 2.12 0.00 4.56 0.00 -1.26 -1.88 120.64 127.39 1wh9 n GLU 72 Ca 0.05 0.75 0.00 0.00 0.00 0.00 0.00 57.16 57.96 1wh9 n GLU 72 Cb 0.48 -2.46 0.00 0.00 0.00 0.00 0.00 31.44 29.47 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 0.72 1.36 0.41 8.31 0.00 -1.26 -4.63 105.19 110.10 1wh9 n GLY 73 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 2.79 -4.22 1.61 7.64 -0.97 -4.87 113.62 115.61 1wh9 n SER 74 Ca 0.00 -2.48 -0.24 0.00 1.01 0.00 0.00 58.87 57.15 1wh9 n SER 74 Cb 0.00 -0.29 -0.14 0.00 -1.01 0.00 0.00 64.21 62.77 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 -1.85 1.53 0.10 0.44 0.11 -0.79 -1.50 120.40 118.43 1wh9 s VAL 75 Ca 0.24 -1.10 0.06 0.00 -2.93 0.00 0.00 61.98 58.25 1wh9 s VAL 75 Cb 0.18 -1.33 -0.03 0.00 -1.53 0.00 0.00 36.38 33.66 1wh9 s VAL 75 CO 0.07 0.20 -0.16 -1.61 -3.33 0.00 0.00 175.10 170.27 1wh9 s GLU 76 N -1.06 0.96 -0.09 1.54 0.41 -0.09 -4.94 118.70 115.42 1wh9 s GLU 76 Ca 0.06 -1.10 0.03 0.00 -0.41 0.00 0.00 54.97 53.55 1wh9 s GLU 76 Cb -0.08 -0.98 0.01 0.00 -1.78 0.00 0.00 34.13 31.30 1wh9 s GLU 76 CO 0.01 0.21 -0.17 -0.51 -0.49 0.00 0.00 175.26 174.31 1wh9 s LEU 77 N -2.03 1.82 0.40 1.80 1.02 -1.26 -0.88 118.68 119.55 1wh9 s LEU 77 Ca 0.04 -0.43 0.08 0.00 0.02 0.00 0.00 54.13 53.84 1wh9 s LEU 77 Cb -0.08 -1.11 -0.04 0.00 0.02 0.00 0.00 46.19 44.98 1wh9 s LEU 77 CO 0.03 0.07 0.20 -0.31 0.02 0.00 0.00 176.35 176.36 1wh9 s TYR 78 N 0.65 2.65 -0.20 0.29 1.51 0.42 -4.96 117.35 117.72 1wh9 s TYR 78 Ca -0.14 -0.52 -0.04 0.00 -1.01 0.00 0.00 57.07 55.36 1wh9 s TYR 78 Cb -0.16 -1.91 0.07 0.00 -0.11 0.00 0.00 41.96 39.84 1wh9 s TYR 78 CO 0.04 0.18 0.07 0.00 -1.11 0.00 0.00 175.55 174.73 1wh9 s ALA 79 N -2.54 0.70 0.36 3.71 0.00 -1.26 -3.56 121.76 119.16 1wh9 s ALA 79 Ca 0.41 -0.57 0.07 0.00 0.00 0.00 0.00 51.96 51.88 1wh9 s ALA 79 Cb 0.01 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 1wh9 s ALA 79 CO 0.23 -1.23 0.36 -2.00 0.00 0.00 0.00 175.76 173.12 1wh9 s GLU 80 N 2.01 2.76 -0.00 0.00 2.56 -0.27 -4.98 118.70 120.78 1wh9 s GLU 80 Ca 0.02 -1.29 0.04 0.00 0.00 0.00 0.00 54.97 53.74 1wh9 s GLU 80 Cb -0.16 -2.54 -0.03 0.00 2.00 0.00 0.00 34.13 33.40 1wh9 s GLU 80 CO -0.12 0.01 -0.11 0.21 -0.56 0.00 0.00 175.26 174.69 1wh9 s LYS 81 N -4.07 2.43 0.79 4.30 2.20 -1.26 -2.37 119.74 121.76 1wh9 s LYS 81 Ca 0.44 -0.77 -0.11 0.00 -0.36 0.00 0.00 55.97 55.17 1wh9 s LYS 81 Cb -0.06 -2.40 0.07 0.00 -1.51 0.00 0.00 37.83 33.93 1wh9 s LYS 81 CO 0.28 0.60 1.09 0.14 -0.36 0.00 0.00 175.35 177.09 1wh9 s VAL 82 N -0.91 3.24 0.00 4.02 -7.23 -0.25 -4.36 120.40 114.91 1wh9 s VAL 82 Ca 0.15 0.40 0.00 0.00 -1.81 0.00 0.00 61.98 60.72 1wh9 s VAL 82 Cb -0.11 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.83 1wh9 s VAL 82 CO 0.05 -0.53 0.00 0.00 -0.31 0.00 0.00 175.10 174.31 1wh9 n ALA 83 N -3.51 0.00 -1.39 1.32 0.00 -1.26 -4.72 120.51 110.94 1wh9 n ALA 83 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1wh9 n ALA 83 Cb 0.54 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.00 0.00 -3.67 0.00 -1.04 -1.26 -4.92 114.28 101.39 1wh9 n THR 84 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1wh9 n THR 84 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 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 -0.75 0.97 0.00 -2.82 3.00 -1.26 -5.14 118.95 112.95 1wh9 s ARG 85 Ca 0.00 -0.57 0.00 0.00 -1.00 0.00 0.00 55.73 54.16 1wh9 s ARG 85 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 34.95 35.38 1wh9 s ARG 85 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.30 175.36 1wh9 n GLY 86 N 0.15 2.73 2.69 8.12 0.00 -1.26 -5.09 105.19 112.52 1wh9 n GLY 86 Ca -0.17 -2.02 -0.24 0.00 0.00 0.00 0.00 46.02 43.58 1wh9 n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh9 s SER 87 N 0.00 2.02 0.80 1.61 0.15 -1.26 -5.14 113.70 111.88 1wh9 s SER 87 Ca 0.00 -0.38 -0.11 0.00 0.70 0.00 0.00 55.95 56.16 1wh9 s SER 87 Cb 0.00 -0.34 0.07 0.00 -1.71 0.00 0.00 66.02 64.04 1wh9 s SER 87 CO 0.00 -0.28 1.09 -0.83 1.20 0.00 0.00 173.24 174.42 1wh9 s GLY 88 N 2.04 1.63 -0.02 9.45 0.00 -1.26 -4.92 107.32 114.24 1wh9 s GLY 88 Ca 0.03 -0.16 -0.35 0.00 0.00 0.00 0.00 44.72 44.24 1wh9 s GLY 88 CO -0.07 0.27 1.75 -1.55 0.00 0.00 0.00 173.10 173.50 1wh9 n PRO 89 N -3.45 2.02 -2.66 2.90 -0.04 -1.26 -4.90 135.00 127.61 1wh9 n PRO 89 Ca 0.07 0.74 -0.09 0.00 -0.04 0.00 0.00 63.50 64.18 1wh9 n PRO 89 Cb 0.56 -2.53 0.03 0.00 -0.04 0.00 0.00 33.50 31.52 1wh9 n PRO 89 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wh9 n SER 90 N 5.32 1.89 -0.02 3.54 2.88 -1.26 -5.00 113.62 120.97 1wh9 n SER 90 Ca 0.21 -2.68 0.00 0.00 -1.33 0.00 0.00 58.87 55.07 1wh9 n SER 90 Cb 0.27 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1wh9 n SER 90 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wh9 n SER 91 N -0.25 -2.08 0.00 -3.46 2.88 -1.26 -5.32 113.62 104.14 1wh9 n SER 91 Ca 0.12 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1wh9 n SER 91 Cb 0.81 0.93 0.00 0.00 -0.75 0.00 0.00 64.21 65.20 1wh9 n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42