#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 -4.29 -4.68 1.61 7.64 -1.26 -4.90 113.62 107.75 1wh9 n SER 2 Ca 0.00 -1.24 -0.38 0.00 1.01 0.00 0.00 58.87 58.26 1wh9 n SER 2 Cb 0.00 -1.71 0.05 0.00 -1.01 0.00 0.00 64.21 61.54 1wh9 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh9 n SER 3 N -2.23 1.61 0.00 6.43 7.64 -1.26 -5.02 113.62 120.79 1wh9 n SER 3 Ca -0.14 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1wh9 n SER 3 Cb 0.58 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1wh9 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh9 n GLY 4 N 1.06 1.50 3.65 0.23 0.00 -1.26 -5.03 105.19 105.34 1wh9 n GLY 4 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 0.52 6.27 -0.38 1.61 0.01 -1.26 -4.97 113.70 115.50 1wh9 s SER 5 Ca 0.00 2.54 -0.21 0.00 1.31 0.00 0.00 55.95 59.58 1wh9 s SER 5 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 1wh9 s SER 5 CO 0.00 -1.22 0.67 -0.55 0.41 0.00 0.00 173.24 172.55 1wh9 s SER 6 N 5.14 6.43 0.02 2.44 0.15 -1.26 -5.06 113.70 121.56 1wh9 s SER 6 Ca 0.91 0.09 0.05 0.00 0.70 0.00 0.00 55.95 57.70 1wh9 s SER 6 Cb -0.41 -2.34 -0.02 0.00 -1.71 0.00 0.00 66.02 61.54 1wh9 s SER 6 CO 0.40 -0.67 -0.14 -0.83 1.20 0.00 0.00 173.24 173.21 1wh9 s GLY 7 N 1.86 0.74 0.19 9.45 0.00 -1.26 -5.06 107.32 113.23 1wh9 s GLY 7 Ca 0.26 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.26 1wh9 s GLY 7 CO 0.16 -0.67 0.96 0.33 0.00 0.00 0.00 173.10 173.89 1wh9 n PHE 8 N 2.24 0.38 0.00 1.90 7.35 -1.26 -0.06 117.46 128.01 1wh9 n PHE 8 Ca -0.16 0.74 0.21 0.00 -0.76 0.00 0.00 57.45 57.48 1wh9 n PHE 8 Cb 0.55 -0.95 0.70 0.00 0.35 0.00 0.00 39.48 40.13 1wh9 n PHE 8 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 1wh9 h LYS 9 N 0.00 0.00 0.59 -4.13 2.10 -1.98 -1.29 116.57 111.86 1wh9 h LYS 9 Ca 0.37 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.99 1wh9 h LYS 9 Cb 0.74 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.08 1wh9 h LYS 9 CO -0.58 0.00 -0.28 0.00 -2.00 0.00 0.00 179.45 176.58 1wh9 h ALA 10 N 1.70 -0.79 -0.96 0.07 0.00 -0.89 -0.15 119.26 118.24 1wh9 h ALA 10 Ca 0.26 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1wh9 h ALA 10 Cb 1.06 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 1wh9 h ALA 10 CO -0.00 -0.80 0.60 0.93 0.00 0.00 0.00 179.25 179.98 1wh9 h GLU 11 N -1.08 1.00 -0.18 0.00 4.39 -1.53 0.49 114.58 117.67 1wh9 h GLU 11 Ca -0.08 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.40 1wh9 h GLU 11 Cb 0.66 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1wh9 h GLU 11 CO 0.13 0.66 -0.54 1.25 -1.16 0.00 0.00 179.01 179.35 1wh9 h LEU 12 N 1.03 0.60 0.14 1.33 5.85 -1.31 -0.35 115.31 122.60 1wh9 h LEU 12 Ca 0.44 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1wh9 h LEU 12 Cb 0.31 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1wh9 h LEU 12 CO -0.22 1.02 -0.07 -1.13 -0.34 0.00 0.00 178.44 177.71 1wh9 h ASN 13 N 0.42 -0.16 0.02 1.25 -0.73 -0.35 -0.95 115.58 115.08 1wh9 h ASN 13 Ca 0.01 -0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.09 1wh9 h ASN 13 Cb 1.08 0.04 -0.00 0.00 0.27 0.00 0.00 38.32 39.71 1wh9 h ASN 13 CO 0.10 -0.01 -0.01 -0.33 -0.37 0.00 0.00 177.43 176.81 1wh9 h GLU 14 N -0.29 0.00 0.34 6.67 4.39 -0.78 0.23 114.58 125.14 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 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1wh9 h GLU 14 CO 0.03 0.01 -0.16 0.35 -1.16 0.00 0.00 179.01 178.08 1wh9 h PHE 15 N 0.00 -0.42 -0.15 4.33 3.57 -0.89 -3.34 116.94 120.04 1wh9 h PHE 15 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1wh9 h PHE 15 Cb 0.03 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1wh9 h PHE 15 CO 0.00 -0.26 0.04 -0.07 -2.23 0.00 0.00 178.31 175.79 1wh9 h LEU 16 N -0.78 0.18 -1.44 0.59 3.38 -0.72 -0.78 115.31 115.73 1wh9 h LEU 16 Ca -0.05 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.02 1wh9 h LEU 16 Cb 0.35 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1wh9 h LEU 16 CO 0.08 0.18 0.49 0.74 0.09 0.00 0.00 178.44 180.02 1wh9 h THR 17 N 0.20 0.91 0.07 0.22 2.02 -0.71 0.69 112.91 116.31 1wh9 h THR 17 Ca 0.05 -0.21 -0.31 0.00 0.77 0.00 0.00 66.41 66.71 1wh9 h THR 17 Cb 0.07 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 1wh9 h THR 17 CO -0.00 0.11 -1.70 0.54 0.37 0.00 0.00 175.52 174.83 1wh9 n ARG 18 N -4.50 0.67 -0.29 6.66 1.74 -0.59 -3.10 116.66 117.26 1wh9 n ARG 18 Ca 0.13 0.40 -0.04 0.00 -0.77 0.00 0.00 57.85 57.57 1wh9 n ARG 18 Cb 0.37 -1.72 0.07 0.00 -1.02 0.00 0.00 32.46 30.16 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 -0.43 1.02 -0.23 5.56 4.39 -0.96 -2.99 114.58 120.96 1wh9 h GLU 19 Ca -0.40 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 1wh9 h GLU 19 Cb 1.70 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 30.12 1wh9 h GLU 19 CO -0.06 0.68 -0.00 1.28 -1.16 0.00 0.00 179.01 179.74 1wh9 n LEU 20 N -4.55 3.67 0.01 1.33 4.77 0.21 -4.74 117.00 117.71 1wh9 n LEU 20 Ca 0.08 -3.08 -0.14 0.00 -0.03 0.00 0.00 56.01 52.83 1wh9 n LEU 20 Cb 0.02 -0.53 -0.08 0.00 -2.33 0.00 0.00 43.42 40.49 1wh9 n LEU 20 CO 0.36 0.72 0.54 0.00 -1.33 0.00 0.00 177.39 177.67 1wh9 h ALA 21 N 1.47 -0.79 0.00 -1.18 0.00 -1.46 -2.22 119.26 115.07 1wh9 h ALA 21 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wh9 h ALA 21 Cb 1.39 0.91 0.00 0.00 0.00 0.00 0.00 17.79 20.09 1wh9 h ALA 21 CO 0.20 -1.04 0.00 0.93 0.00 0.00 0.00 179.25 179.34 1wh9 h GLU 22 N -0.58 0.00 -0.08 0.00 5.08 -1.85 -3.11 114.58 114.05 1wh9 h GLU 22 Ca 0.04 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1wh9 h GLU 22 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1wh9 h GLU 22 CO -0.40 0.00 -0.55 -0.44 -1.00 0.00 0.00 179.01 176.62 1wh9 h ASP 23 N 0.00 0.26 0.00 1.42 3.32 -1.79 -3.48 116.42 116.15 1wh9 h ASP 23 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1wh9 h ASP 23 Cb 0.87 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1wh9 h ASP 23 CO 0.00 0.75 0.00 0.61 -1.72 0.00 0.00 179.24 178.88 1wh9 n GLY 24 N 0.13 0.76 3.37 2.75 0.00 -0.88 -4.41 105.19 106.91 1wh9 n GLY 24 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 -1.72 0.00 1.61 9.36 -0.95 -0.34 117.16 125.11 1wh9 n TYR 25 Ca 0.00 -0.18 0.00 0.00 3.32 0.00 0.00 57.90 61.04 1wh9 n TYR 25 Cb 0.00 -1.60 0.00 0.00 -0.63 0.00 0.00 39.34 37.11 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 -4.21 0.00 0.00 2.98 7.64 -0.51 -4.63 113.62 114.89 1wh9 n SER 26 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1wh9 n SER 26 Cb 0.56 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 0.33 -1.28 3.32 0.23 0.00 -1.01 -5.03 105.19 101.75 1wh9 n GLY 27 Ca 0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.97 0.06 0.25 1.61 0.11 -1.26 -0.56 120.40 117.63 1wh9 s VAL 28 Ca 0.00 -0.46 0.12 0.00 -2.93 0.00 0.00 61.98 58.71 1wh9 s VAL 28 Cb 0.00 -0.91 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 1wh9 s VAL 28 CO 0.00 -0.25 -0.21 -1.61 -3.33 0.00 0.00 175.10 169.70 1wh9 s GLU 29 N -2.29 1.63 -0.04 1.54 2.02 -0.10 -4.93 118.70 116.52 1wh9 s GLU 29 Ca -0.06 -1.68 -0.01 0.00 0.02 0.00 0.00 54.97 53.23 1wh9 s GLU 29 Cb -0.01 -1.80 0.03 0.00 0.10 0.00 0.00 34.13 32.45 1wh9 s GLU 29 CO -0.01 0.35 0.08 0.54 0.02 0.00 0.00 175.26 176.24 1wh9 s VAL 30 N -2.22 -0.06 -0.12 2.63 0.11 -1.26 -1.82 120.40 117.66 1wh9 s VAL 30 Ca 0.27 0.21 0.01 0.00 -2.93 0.00 0.00 61.98 59.54 1wh9 s VAL 30 Cb -0.06 -0.15 0.02 0.00 -1.53 0.00 0.00 36.38 34.66 1wh9 s VAL 30 CO 0.13 0.09 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.72 1wh9 s ARG 31 N 1.17 2.11 -0.08 1.54 0.52 -0.47 -5.02 118.95 118.72 1wh9 s ARG 31 Ca -0.08 -0.51 -0.22 0.00 -0.52 0.00 0.00 55.73 54.40 1wh9 s ARG 31 Cb -0.12 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 1wh9 s ARG 31 CO -0.04 -0.15 0.63 0.08 0.02 0.00 0.00 175.30 175.84 1wh9 s VAL 32 N 1.25 5.09 0.40 3.52 1.01 -1.26 -1.27 120.40 129.14 1wh9 s VAL 32 Ca -0.01 1.29 0.06 0.00 0.00 0.00 0.00 61.98 63.32 1wh9 s VAL 32 Cb -0.14 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 1wh9 s VAL 32 CO -0.06 0.28 0.02 0.42 0.00 0.00 0.00 175.10 175.76 1wh9 s THR 33 N 0.72 1.76 -1.06 3.92 -4.23 -0.89 -5.01 115.64 110.85 1wh9 s THR 33 Ca 0.34 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 1wh9 s THR 33 Cb -0.17 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.77 1wh9 s THR 33 CO 0.16 0.00 0.37 -0.81 -0.54 0.00 0.00 174.62 173.80 1wh9 n PRO 34 N -0.93 0.70 0.07 3.99 -0.04 -1.26 -3.95 135.00 133.59 1wh9 n PRO 34 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1wh9 n PRO 34 Cb 0.67 -1.33 0.00 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 0.11 0.64 -3.95 0.52 -2.24 -1.26 -5.15 114.28 102.94 1wh9 n THR 35 Ca 0.00 0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.90 1wh9 n THR 35 Cb 0.16 -1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 67.18 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 1.81 0.28 -0.78 1.70 -1.25 -4.95 118.95 113.76 1wh9 s ARG 36 Ca 0.00 -1.33 -0.15 0.00 -0.47 0.00 0.00 55.73 53.77 1wh9 s ARG 36 Cb 0.00 0.53 -0.09 0.00 -0.57 0.00 0.00 34.95 34.82 1wh9 s ARG 36 CO 0.00 -0.79 0.70 0.99 -1.08 0.00 0.00 175.30 175.12 1wh9 s THR 37 N -3.46 4.69 -0.03 4.99 2.01 -0.02 -2.10 115.64 121.72 1wh9 s THR 37 Ca 0.20 0.96 0.01 0.00 0.31 0.00 0.00 61.69 63.17 1wh9 s THR 37 Cb -0.03 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.83 1wh9 s THR 37 CO 0.11 -0.07 -0.02 -1.61 -0.69 0.00 0.00 174.62 172.35 1wh9 s GLU 38 N -2.69 0.41 -0.09 4.92 2.02 -0.40 -2.10 118.70 120.78 1wh9 s GLU 38 Ca 0.50 -0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.49 1wh9 s GLU 38 Cb -0.12 -0.52 0.02 0.00 0.10 0.00 0.00 34.13 33.61 1wh9 s GLU 38 CO 0.19 -0.08 -0.07 0.42 0.02 0.00 0.00 175.26 175.73 1wh9 s ILE 39 N 0.79 0.90 -0.22 -1.63 1.01 -0.61 -1.36 121.20 120.07 1wh9 s ILE 39 Ca -0.08 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1wh9 s ILE 39 Cb -0.12 -0.91 0.05 0.00 0.01 0.00 0.00 42.46 41.50 1wh9 s ILE 39 CO -0.01 0.33 -0.09 -0.63 0.00 0.00 0.00 174.94 174.54 1wh9 s ILE 40 N 1.39 1.73 0.23 2.92 1.09 -0.75 -0.50 121.20 127.30 1wh9 s ILE 40 Ca -0.02 -1.20 -0.30 0.00 -1.10 0.00 0.00 60.65 58.04 1wh9 s ILE 40 Cb -0.13 -1.86 -0.09 0.00 -1.06 0.00 0.00 42.46 39.32 1wh9 s ILE 40 CO -0.04 0.06 1.16 -0.63 -0.10 0.00 0.00 174.94 175.40 1wh9 s ILE 41 N 1.33 3.51 -0.30 2.92 1.01 -0.73 -0.93 121.20 128.01 1wh9 s ILE 41 Ca -0.04 1.36 -0.12 0.00 0.00 0.00 0.00 60.65 61.86 1wh9 s ILE 41 Cb -0.18 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 1wh9 s ILE 41 CO -0.07 0.26 0.21 -0.76 0.00 0.00 0.00 174.94 174.59 1wh9 s LEU 42 N -0.77 4.23 0.19 2.97 1.43 0.27 -0.72 118.68 126.28 1wh9 s LEU 42 Ca 0.49 -0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 53.33 1wh9 s LEU 42 Cb -0.33 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 1wh9 s LEU 42 CO 0.39 -0.13 0.31 0.00 0.23 0.00 0.00 176.35 177.16 1wh9 s ALA 43 N 1.75 0.10 0.08 4.21 0.00 -1.14 -1.42 121.76 125.34 1wh9 s ALA 43 Ca 0.07 -0.99 -0.18 0.00 0.00 0.00 0.00 51.96 50.85 1wh9 s ALA 43 Cb -0.17 0.98 -0.09 0.00 0.00 0.00 0.00 23.12 23.85 1wh9 s ALA 43 CO 0.11 -0.69 1.48 1.79 0.00 0.00 0.00 175.76 178.45 1wh9 h THR 44 N 2.48 1.28 -3.04 0.00 1.35 -0.95 -2.68 112.91 111.34 1wh9 h THR 44 Ca -0.31 -1.03 -0.62 0.00 -0.55 0.00 0.00 66.41 63.90 1wh9 h THR 44 Cb 1.24 1.45 -0.41 0.00 -1.73 0.00 0.00 68.15 68.69 1wh9 h THR 44 CO 0.46 0.32 -0.64 -0.13 -0.25 0.00 0.00 175.52 175.28 1wh9 s ARG 45 N -4.81 2.13 0.30 4.72 1.81 -1.26 -4.71 118.95 117.12 1wh9 s ARG 45 Ca -0.14 -3.00 0.05 0.00 -1.72 0.00 0.00 55.73 50.92 1wh9 s ARG 45 Cb 0.07 -3.11 0.78 0.00 -0.45 0.00 0.00 34.95 32.24 1wh9 s ARG 45 CO 0.76 -1.26 1.67 1.79 -0.68 0.00 0.00 175.30 177.58 1wh9 h THR 46 N 4.65 0.39 -0.62 0.02 1.35 -1.87 -1.11 112.91 115.72 1wh9 h THR 46 Ca 0.11 -0.11 0.08 0.00 -0.55 0.00 0.00 66.41 65.95 1wh9 h THR 46 Cb 0.80 0.04 -0.07 0.00 -1.73 0.00 0.00 68.15 67.20 1wh9 h THR 46 CO 0.66 0.06 0.27 -0.61 -0.25 0.00 0.00 175.52 175.65 1wh9 h GLN 47 N 0.32 0.48 -0.36 4.72 5.75 -1.96 0.15 115.11 124.20 1wh9 h GLN 47 Ca 0.58 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.95 1wh9 h GLN 47 Cb 1.18 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1wh9 h GLN 47 CO -0.59 0.32 -0.20 -0.91 -2.65 0.00 0.00 178.83 174.80 1wh9 h ASN 48 N 0.49 0.80 0.25 -0.69 4.21 -1.59 -0.14 115.58 118.91 1wh9 h ASN 48 Ca 0.30 -0.42 -0.09 0.00 1.21 0.00 0.00 56.30 57.31 1wh9 h ASN 48 Cb 0.33 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 1wh9 h ASN 48 CO -0.26 1.04 -0.35 0.58 -1.29 0.00 0.00 177.43 177.14 1wh9 h VAL 49 N 0.56 1.28 0.04 2.81 2.07 -0.92 -2.85 116.25 119.24 1wh9 h VAL 49 Ca 0.08 -1.32 -0.22 0.00 0.82 0.00 0.00 66.70 66.06 1wh9 h VAL 49 Cb 0.75 1.61 0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1wh9 h VAL 49 CO 0.06 0.39 -0.88 -0.07 0.02 0.00 0.00 177.57 177.09 1wh9 h LEU 50 N 0.13 0.70 -0.13 2.57 3.38 -0.56 -3.19 115.31 118.20 1wh9 h LEU 50 Ca 0.02 -0.79 0.15 0.00 0.09 0.00 0.00 57.88 57.35 1wh9 h LEU 50 Cb 0.69 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1wh9 h LEU 50 CO 0.05 1.41 -0.27 0.61 0.09 0.00 0.00 178.44 180.33 1wh9 n GLY 51 N 1.21 -1.79 3.64 0.83 0.00 -0.08 -0.71 105.19 108.29 1wh9 n GLY 51 Ca -0.12 -1.37 -0.44 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.65 2.46 -4.34 1.61 2.13 -1.26 -0.99 120.64 117.60 1wh9 n GLU 52 Ca -0.00 0.85 -0.36 0.00 0.66 0.00 0.00 57.16 58.31 1wh9 n GLU 52 Cb 0.26 -3.00 -0.07 0.00 0.27 0.00 0.00 31.44 28.90 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 7.78 -1.57 -0.93 5.31 5.02 -1.26 -1.13 118.16 131.37 1wh9 n LYS 53 Ca 0.24 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1wh9 n LYS 53 Cb 0.40 -4.39 0.00 0.00 -0.02 0.00 0.00 35.03 31.02 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 -1.75 0.46 0.39 0.72 0.00 -0.16 -4.98 105.19 99.87 1wh9 n GLY 54 Ca -0.09 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 0.42 -0.50 -0.15 1.61 2.47 -0.53 -1.14 114.38 116.56 1wh9 h ARG 55 Ca 0.00 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1wh9 h ARG 55 Cb 0.00 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 1wh9 h ARG 55 CO 0.00 -0.33 0.08 0.00 0.56 0.00 0.00 179.97 180.28 1wh9 h ARG 56 N -0.52 0.20 -0.54 0.04 -0.00 -1.17 -1.34 114.38 111.06 1wh9 h ARG 56 Ca 0.06 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.52 1wh9 h ARG 56 Cb 0.62 -0.04 -0.03 0.00 0.00 0.00 0.00 29.97 30.52 1wh9 h ARG 56 CO -0.34 0.20 0.34 0.97 0.00 0.00 0.00 179.97 181.15 1wh9 h ILE 57 N 0.15 1.15 -0.41 2.04 2.10 -1.14 -0.09 117.51 121.31 1wh9 h ILE 57 Ca 0.05 -0.31 -0.12 0.00 1.08 0.00 0.00 64.86 65.56 1wh9 h ILE 57 Cb 0.05 0.38 -0.01 0.00 -1.09 0.00 0.00 36.82 36.15 1wh9 h ILE 57 CO -0.01 0.15 -0.23 -0.09 -1.08 0.00 0.00 178.15 176.89 1wh9 h ARG 58 N 0.73 0.84 0.44 2.19 1.12 -1.11 0.13 114.38 118.72 1wh9 h ARG 58 Ca 0.20 -0.35 -0.01 0.00 -1.11 0.00 0.00 59.98 58.71 1wh9 h ARG 58 Cb -0.05 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 29.86 1wh9 h ARG 58 CO -0.04 0.98 -0.40 0.93 -3.11 0.00 0.00 179.97 178.33 1wh9 h GLU 59 N 0.72 -0.80 0.00 0.20 4.39 -0.94 -2.93 114.58 115.23 1wh9 h GLU 59 Ca 0.10 0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1wh9 h GLU 59 Cb 0.76 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1wh9 h GLU 59 CO 0.06 -0.53 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.23 1wh9 h LEU 60 N -0.83 0.00 -0.07 1.33 3.38 -0.89 -1.37 115.31 116.85 1wh9 h LEU 60 Ca -0.06 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1wh9 h LEU 60 Cb 0.71 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1wh9 h LEU 60 CO -0.03 0.07 -0.14 0.74 0.09 0.00 0.00 178.44 179.18 1wh9 h THR 61 N 0.00 0.63 -0.17 0.22 2.02 -0.55 0.13 112.91 115.19 1wh9 h THR 61 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1wh9 h THR 61 Cb 0.21 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1wh9 h THR 61 CO 0.01 0.00 0.10 0.00 0.37 0.00 0.00 175.52 176.00 1wh9 h ALA 62 N 0.82 0.21 -0.23 6.16 0.00 -1.16 0.14 119.26 125.20 1wh9 h ALA 62 Ca 0.07 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1wh9 h ALA 62 Cb 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1wh9 h ALA 62 CO -0.19 -0.28 -0.06 0.28 0.00 0.00 0.00 179.25 179.00 1wh9 h VAL 63 N 0.20 0.77 0.12 0.00 2.07 -1.16 -0.97 116.25 117.28 1wh9 h VAL 63 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1wh9 h VAL 63 Cb 0.03 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1wh9 h VAL 63 CO -0.01 0.00 -0.06 0.58 0.02 0.00 0.00 177.57 178.10 1wh9 h VAL 64 N -0.00 0.91 -0.44 2.57 2.07 -0.58 0.10 116.25 120.88 1wh9 h VAL 64 Ca 0.11 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 67.66 1wh9 h VAL 64 Cb 0.17 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1wh9 h VAL 64 CO -0.23 0.02 0.36 1.56 0.02 0.00 0.00 177.57 179.30 1wh9 h GLN 65 N -0.20 0.00 0.04 1.57 4.20 -0.33 -0.15 115.11 120.23 1wh9 h GLN 65 Ca -0.02 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.35 1wh9 h GLN 65 Cb 0.16 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1wh9 h GLN 65 CO 0.03 0.00 -1.94 1.63 -0.67 0.00 0.00 178.83 177.87 1wh9 n LYS 66 N -4.14 0.65 -0.35 1.46 5.02 -0.40 -0.99 118.16 119.41 1wh9 n LYS 66 Ca 0.08 0.34 0.07 0.00 -2.02 0.00 0.00 58.31 56.78 1wh9 n LYS 66 Cb 0.55 -1.65 0.25 0.00 -0.02 0.00 0.00 35.03 34.16 1wh9 n LYS 66 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1wh9 h ARG 67 N -0.47 0.95 -0.11 1.97 1.12 -0.58 -2.97 114.38 114.29 1wh9 h ARG 67 Ca -0.48 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.34 1wh9 h ARG 67 Cb 1.71 -0.21 0.00 0.00 -0.01 0.00 0.00 29.97 31.45 1wh9 h ARG 67 CO -0.13 0.63 0.00 1.19 -3.11 0.00 0.00 179.97 178.55 1wh9 n PHE 68 N -4.59 0.15 -3.87 2.20 3.72 -0.09 -5.03 117.46 109.95 1wh9 n PHE 68 Ca 0.18 -0.30 -0.29 0.00 -0.05 0.00 0.00 57.45 57.00 1wh9 n PHE 68 Cb 0.34 -0.02 0.03 0.00 -0.94 0.00 0.00 39.48 38.89 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 0.16 -0.47 3.80 1.37 0.00 -0.32 -4.98 105.19 104.75 1wh9 n GLY 69 Ca 0.05 0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.36 3.61 0.65 1.61 0.08 -0.16 -5.00 117.98 115.41 1wh9 s PHE 70 Ca 0.56 1.62 -0.16 0.00 0.12 0.00 0.00 56.93 59.07 1wh9 s PHE 70 Cb -0.28 -2.81 -0.01 0.00 -0.57 0.00 0.00 43.02 39.36 1wh9 s PHE 70 CO 0.82 0.19 1.13 -1.25 -0.10 0.00 0.00 175.22 176.02 1wh9 s PRO 71 N -2.24 2.81 0.02 0.24 0.05 -1.26 -4.84 135.00 129.78 1wh9 s PRO 71 Ca 0.50 1.50 -0.30 0.00 0.05 0.00 0.00 61.00 62.75 1wh9 s PRO 71 Cb -0.16 -1.94 -0.07 0.00 0.05 0.00 0.00 34.50 32.37 1wh9 s PRO 71 CO 0.21 -1.26 1.68 -2.00 0.05 0.00 0.00 177.00 175.68 1wh9 s GLU 72 N -3.89 4.19 0.00 4.56 2.56 -1.26 -2.90 118.70 121.95 1wh9 s GLU 72 Ca 0.69 2.30 0.00 0.00 0.00 0.00 0.00 54.97 57.97 1wh9 s GLU 72 Cb -0.23 -3.81 0.00 0.00 2.00 0.00 0.00 34.13 32.09 1wh9 s GLU 72 CO 0.39 -0.80 0.00 0.41 -0.56 0.00 0.00 175.26 174.70 1wh9 n GLY 73 N 4.10 2.30 0.00 -1.50 0.00 -1.26 -4.69 105.19 104.14 1wh9 n GLY 73 Ca 0.17 0.00 0.11 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 0.00 -4.34 1.61 7.64 -1.14 -4.59 113.62 112.80 1wh9 n SER 74 Ca 0.00 0.11 -0.27 0.00 1.01 0.00 0.00 58.87 59.72 1wh9 n SER 74 Cb 0.00 -0.34 -0.13 0.00 -1.01 0.00 0.00 64.21 62.73 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 -2.69 2.01 0.03 0.44 0.11 -1.17 -0.84 120.40 118.30 1wh9 s VAL 75 Ca 0.18 -1.63 0.01 0.00 -2.93 0.00 0.00 61.98 57.62 1wh9 s VAL 75 Cb 0.15 -1.79 -0.02 0.00 -1.53 0.00 0.00 36.38 33.18 1wh9 s VAL 75 CO 0.35 0.05 -0.06 -0.70 -3.33 0.00 0.00 175.10 171.41 1wh9 s GLU 76 N -1.92 0.45 -0.18 1.54 2.56 -0.89 -4.94 118.70 115.32 1wh9 s GLU 76 Ca 0.11 -0.69 -0.01 0.00 0.00 0.00 0.00 54.97 54.37 1wh9 s GLU 76 Cb -0.10 -0.17 -0.00 0.00 2.00 0.00 0.00 34.13 35.86 1wh9 s GLU 76 CO 0.05 0.02 -0.11 -0.51 -0.56 0.00 0.00 175.26 174.15 1wh9 s LEU 77 N -1.49 2.61 0.35 2.70 1.02 -1.26 -1.57 118.68 121.04 1wh9 s LEU 77 Ca -0.12 -0.45 0.09 0.00 0.02 0.00 0.00 54.13 53.67 1wh9 s LEU 77 Cb -0.10 -1.63 -0.06 0.00 0.02 0.00 0.00 46.19 44.43 1wh9 s LEU 77 CO -0.00 0.03 -0.03 -0.31 0.02 0.00 0.00 176.35 176.06 1wh9 s TYR 78 N 1.13 2.48 -0.14 0.29 2.02 0.34 -5.00 117.35 118.47 1wh9 s TYR 78 Ca 0.01 -0.50 -0.04 0.00 -0.37 0.00 0.00 57.07 56.17 1wh9 s TYR 78 Cb -0.14 -1.48 0.06 0.00 -0.40 0.00 0.00 41.96 39.99 1wh9 s TYR 78 CO -0.03 0.52 0.12 0.00 -1.57 0.00 0.00 175.55 174.59 1wh9 s ALA 79 N -2.59 0.14 0.16 3.71 0.00 -1.26 -1.76 121.76 120.16 1wh9 s ALA 79 Ca 0.34 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.39 1wh9 s ALA 79 Cb 0.02 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 1wh9 s ALA 79 CO 0.18 -0.95 0.18 -2.00 0.00 0.00 0.00 175.76 173.17 1wh9 s GLU 80 N 2.21 3.06 0.34 0.00 2.56 0.10 -4.95 118.70 122.02 1wh9 s GLU 80 Ca 0.04 -0.79 -0.05 0.00 0.00 0.00 0.00 54.97 54.17 1wh9 s GLU 80 Cb -0.15 -2.74 -0.05 0.00 2.00 0.00 0.00 34.13 33.20 1wh9 s GLU 80 CO -0.08 0.50 0.62 0.21 -0.56 0.00 0.00 175.26 175.94 1wh9 s LYS 81 N -3.14 3.62 0.33 4.30 2.20 -1.26 -2.88 119.74 122.92 1wh9 s LYS 81 Ca 0.32 0.06 -0.15 0.00 -0.36 0.00 0.00 55.97 55.84 1wh9 s LYS 81 Cb -0.10 -2.57 -0.09 0.00 -1.51 0.00 0.00 37.83 33.56 1wh9 s LYS 81 CO 0.25 0.11 0.75 0.08 -0.36 0.00 0.00 175.35 176.18 1wh9 s VAL 82 N -2.25 4.67 -0.19 4.02 1.01 -1.01 -4.82 120.40 121.82 1wh9 s VAL 82 Ca 0.45 0.97 -0.19 0.00 0.00 0.00 0.00 61.98 63.21 1wh9 s VAL 82 Cb -0.10 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1wh9 s VAL 82 CO 0.33 -0.21 0.52 0.00 0.00 0.00 0.00 175.10 175.74 1wh9 s ALA 83 N -2.02 3.53 0.68 5.51 0.00 -1.26 -5.00 121.76 123.21 1wh9 s ALA 83 Ca 0.55 -0.36 -0.10 0.00 0.00 0.00 0.00 51.96 52.05 1wh9 s ALA 83 Cb -0.10 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.23 1wh9 s ALA 83 CO 0.18 -0.39 1.06 -0.08 0.00 0.00 0.00 175.76 176.52 1wh9 s THR 84 N 1.52 3.45 -0.04 0.00 -1.32 -1.26 -5.10 115.64 112.88 1wh9 s THR 84 Ca 0.25 0.34 -0.03 0.00 -1.21 0.00 0.00 61.69 61.05 1wh9 s THR 84 Cb -0.15 -3.45 -0.04 0.00 -1.51 0.00 0.00 72.50 67.35 1wh9 s THR 84 CO 0.10 -0.56 0.11 -0.13 -2.21 0.00 0.00 174.62 171.92 1wh9 s ARG 85 N -5.29 3.22 0.00 7.08 0.52 -1.26 -5.06 118.95 118.17 1wh9 s ARG 85 Ca 0.57 -0.36 0.00 0.00 -0.52 0.00 0.00 55.73 55.42 1wh9 s ARG 85 Cb -0.11 -2.98 0.00 0.00 0.52 0.00 0.00 34.95 32.39 1wh9 s ARG 85 CO 0.50 0.69 0.00 0.41 0.02 0.00 0.00 175.30 176.92 1wh9 n GLY 86 N 1.44 -0.27 3.71 -3.53 0.00 -1.26 -5.18 105.19 100.11 1wh9 n GLY 86 Ca -0.15 0.79 -0.31 0.00 0.00 0.00 0.00 46.02 46.35 1wh9 n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh9 s SER 87 N 0.00 3.57 -0.23 1.61 0.01 -1.26 -5.05 113.70 112.34 1wh9 s SER 87 Ca 0.00 2.03 -0.03 0.00 1.31 0.00 0.00 55.95 59.25 1wh9 s SER 87 Cb 0.00 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 63.81 1wh9 s SER 87 CO 0.00 -2.67 0.35 -0.83 0.41 0.00 0.00 173.24 170.50 1wh9 s GLY 88 N -2.98 -0.32 0.29 3.44 0.00 -1.26 -5.03 107.32 101.45 1wh9 s GLY 88 Ca 0.64 0.83 0.04 0.00 0.00 0.00 0.00 44.72 46.23 1wh9 s GLY 88 CO 0.57 2.52 1.73 -0.56 0.00 0.00 0.00 173.10 177.37 1wh9 h PRO 89 N 8.21 0.43 -5.81 2.90 0.13 -2.06 -3.48 132.00 132.31 1wh9 h PRO 89 Ca -0.19 -0.16 -0.12 0.00 -0.87 0.00 0.00 66.00 64.66 1wh9 h PRO 89 Cb 1.15 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.26 1wh9 h PRO 89 CO 0.26 0.66 -0.88 0.43 -0.23 0.00 0.00 178.00 178.24 1wh9 n SER 90 N -4.12 -7.02 -0.29 1.44 7.64 -1.26 -4.78 113.62 105.23 1wh9 n SER 90 Ca -0.01 0.46 0.02 0.00 1.01 0.00 0.00 58.87 60.35 1wh9 n SER 90 Cb 0.41 -3.69 -0.00 0.00 -1.01 0.00 0.00 64.21 59.91 1wh9 n SER 90 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh9 n SER 91 N 0.13 -1.75 0.00 6.43 7.64 -1.26 -5.36 113.62 119.45 1wh9 n SER 91 Ca 0.02 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1wh9 n SER 91 Cb 0.46 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1wh9 n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64