#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 -0.30 0.50 1.61 0.15 -1.26 -5.14 113.70 109.26 1wh9 s SER 2 Ca 0.00 -0.11 -0.20 0.00 0.70 0.00 0.00 55.95 56.34 1wh9 s SER 2 Cb 0.00 0.47 -0.08 0.00 -1.71 0.00 0.00 66.02 64.70 1wh9 s SER 2 CO 0.00 -0.78 1.04 -0.55 1.20 0.00 0.00 173.24 174.16 1wh9 s SER 3 N -2.40 6.24 0.00 5.45 0.15 -1.26 -4.97 113.70 116.90 1wh9 s SER 3 Ca -0.01 1.92 0.00 0.00 0.70 0.00 0.00 55.95 58.56 1wh9 s SER 3 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1wh9 s SER 3 CO -0.07 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.12 1wh9 n GLY 4 N -0.35 -0.39 3.66 9.45 0.00 -1.26 -5.10 105.19 111.21 1wh9 n GLY 4 Ca 0.09 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 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 0.54 1.93 0.00 1.61 7.64 -1.26 -4.80 113.62 119.29 1wh9 n SER 5 Ca 0.00 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1wh9 n SER 5 Cb 0.00 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 61.76 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 0.14 0.00 0.00 6.43 7.64 -1.26 -5.11 113.62 121.46 1wh9 n SER 6 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1wh9 n SER 6 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.00 1.62 0.27 0.23 0.00 -1.26 -4.15 105.19 101.90 1wh9 n GLY 7 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.36 -0.34 1.61 3.57 -2.00 -1.67 116.94 117.75 1wh9 h PHE 8 Ca 0.00 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1wh9 h PHE 8 Cb 0.00 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1wh9 h PHE 8 CO 0.00 -0.31 0.24 -0.22 -2.23 0.00 0.00 178.31 175.79 1wh9 h LYS 9 N 0.01 0.21 -0.06 1.11 3.64 -1.99 -0.46 116.57 119.02 1wh9 h LYS 9 Ca 0.36 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.53 1wh9 h LYS 9 Cb 0.55 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1wh9 h LYS 9 CO -0.75 0.14 -0.70 0.00 -2.27 0.00 0.00 179.45 175.86 1wh9 h ALA 10 N 1.82 0.16 -0.30 5.00 0.00 -1.64 -1.34 119.26 122.96 1wh9 h ALA 10 Ca 0.15 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1wh9 h ALA 10 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1wh9 h ALA 10 CO -0.03 0.49 0.13 0.93 0.00 0.00 0.00 179.25 180.78 1wh9 h GLU 11 N 0.19 0.44 -0.57 0.00 4.39 -1.36 -1.51 114.58 116.16 1wh9 h GLU 11 Ca -0.07 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.47 1wh9 h GLU 11 Cb 1.37 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 1wh9 h GLU 11 CO 0.14 0.43 0.01 1.25 -1.16 0.00 0.00 179.01 179.68 1wh9 h LEU 12 N 0.34 0.95 -0.42 1.33 5.85 -1.16 -0.54 115.31 121.67 1wh9 h LEU 12 Ca 0.10 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 1wh9 h LEU 12 Cb 0.14 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1wh9 h LEU 12 CO -0.01 1.00 -0.11 -1.13 -0.34 0.00 0.00 178.44 177.85 1wh9 h ASN 13 N 0.90 0.82 -0.50 1.25 -1.24 -1.15 -0.17 115.58 115.48 1wh9 h ASN 13 Ca 0.17 -0.36 0.06 0.00 0.71 0.00 0.00 56.30 56.87 1wh9 h ASN 13 Cb 0.51 -0.22 -0.05 0.00 0.73 0.00 0.00 38.32 39.29 1wh9 h ASN 13 CO 0.03 0.99 0.21 -0.33 -1.29 0.00 0.00 177.43 177.04 1wh9 h GLU 14 N 0.63 0.40 0.82 6.67 4.39 -1.11 -0.85 114.58 125.53 1wh9 h GLU 14 Ca 0.11 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 1wh9 h GLU 14 Cb 0.64 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1wh9 h GLU 14 CO 0.04 0.26 -0.41 0.35 -1.16 0.00 0.00 179.01 178.09 1wh9 h PHE 15 N 0.41 -1.08 -0.20 4.33 3.57 -0.79 -3.23 116.94 119.94 1wh9 h PHE 15 Ca 0.24 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1wh9 h PHE 15 Cb 0.22 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1wh9 h PHE 15 CO -0.14 -0.66 0.05 -0.07 -2.23 0.00 0.00 178.31 175.27 1wh9 h LEU 16 N -1.13 0.25 -0.61 0.59 3.38 -0.99 -2.01 115.31 114.80 1wh9 h LEU 16 Ca -0.11 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.92 1wh9 h LEU 16 Cb 0.87 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 1wh9 h LEU 16 CO 0.17 0.26 0.25 0.74 0.09 0.00 0.00 178.44 179.96 1wh9 h THR 17 N 0.29 0.81 -0.00 0.22 2.02 -1.17 -0.54 112.91 114.53 1wh9 h THR 17 Ca 0.07 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1wh9 h THR 17 Cb 0.11 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1wh9 h THR 17 CO -0.00 0.08 -0.00 0.03 0.37 0.00 0.00 175.52 176.00 1wh9 h ARG 18 N 0.46 0.00 -0.74 6.66 -0.00 -1.41 -2.64 114.38 116.71 1wh9 h ARG 18 Ca 0.30 -0.00 0.11 0.00 -0.50 0.00 0.00 59.98 59.88 1wh9 h ARG 18 Cb 0.33 -0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.25 1wh9 h ARG 18 CO -0.27 0.32 0.49 0.93 0.00 0.00 0.00 179.97 181.43 1wh9 h GLU 19 N -0.31 0.58 0.00 0.04 4.39 -0.94 -2.96 114.58 115.38 1wh9 h GLU 19 Ca 0.00 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1wh9 h GLU 19 Cb 0.32 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1wh9 h GLU 19 CO 0.00 0.39 -0.27 1.28 -1.16 0.00 0.00 179.01 179.25 1wh9 n LEU 20 N -4.50 2.40 0.08 1.33 4.77 -0.28 -4.87 117.00 115.94 1wh9 n LEU 20 Ca 0.13 -3.37 -0.11 0.00 -0.03 0.00 0.00 56.01 52.63 1wh9 n LEU 20 Cb 0.37 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 1wh9 n LEU 20 CO 0.33 1.01 0.51 0.00 -1.33 0.00 0.00 177.39 177.90 1wh9 h ALA 21 N 0.48 -0.87 0.00 -1.18 0.00 -1.29 -2.34 119.26 114.07 1wh9 h ALA 21 Ca -0.01 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1wh9 h ALA 21 Cb 1.04 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1wh9 h ALA 21 CO 0.00 -0.96 -0.43 0.93 0.00 0.00 0.00 179.25 178.80 1wh9 h GLU 22 N -0.53 0.00 -0.62 0.00 4.39 -1.88 -3.34 114.58 112.61 1wh9 h GLU 22 Ca -0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.73 1wh9 h GLU 22 Cb 0.53 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 1wh9 h GLU 22 CO -0.21 0.43 0.41 -0.44 -1.16 0.00 0.00 179.01 178.04 1wh9 h ASP 23 N 0.00 0.61 0.00 1.42 5.19 -1.77 -3.45 116.42 118.42 1wh9 h ASP 23 Ca -0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1wh9 h ASP 23 Cb 1.19 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1wh9 h ASP 23 CO 0.06 0.42 0.00 0.61 -3.12 0.00 0.00 179.24 177.20 1wh9 n GLY 24 N -1.46 1.38 3.49 2.75 0.00 -1.04 -4.47 105.19 105.84 1wh9 n GLY 24 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.94 0.00 1.61 9.36 -1.08 -0.80 117.16 125.31 1wh9 n TYR 25 Ca 0.00 -0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.17 1wh9 n TYR 25 Cb 0.00 -1.74 0.00 0.00 -0.63 0.00 0.00 39.34 36.97 1wh9 n TYR 25 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1wh9 n SER 26 N -4.62 0.00 0.00 2.98 2.88 -0.56 -4.76 113.62 109.54 1wh9 n SER 26 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1wh9 n SER 26 Cb 0.54 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1wh9 n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh9 n GLY 27 N 0.28 -1.23 3.17 0.46 0.00 -1.15 -5.03 105.19 101.69 1wh9 n GLY 27 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 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 0.13 0.26 1.61 0.11 -1.26 -0.40 120.40 117.84 1wh9 s VAL 28 Ca 0.00 -1.05 0.11 0.00 -2.93 0.00 0.00 61.98 58.10 1wh9 s VAL 28 Cb 0.00 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 1wh9 s VAL 28 CO 0.00 -0.58 -0.11 -1.61 -3.33 0.00 0.00 175.10 169.47 1wh9 s GLU 29 N -2.96 1.97 0.03 1.54 0.41 0.63 -4.92 118.70 115.40 1wh9 s GLU 29 Ca -0.02 -1.55 0.01 0.00 -0.41 0.00 0.00 54.97 53.01 1wh9 s GLU 29 Cb 0.01 -1.99 -0.02 0.00 -1.78 0.00 0.00 34.13 30.35 1wh9 s GLU 29 CO -0.06 0.36 -0.05 0.54 -0.49 0.00 0.00 175.26 175.56 1wh9 s VAL 30 N -2.28 0.32 0.11 2.63 0.11 -1.26 -0.79 120.40 119.24 1wh9 s VAL 30 Ca 0.29 -1.00 0.04 0.00 -2.93 0.00 0.00 61.98 58.38 1wh9 s VAL 30 Cb -0.06 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 1wh9 s VAL 30 CO 0.17 -0.45 -0.10 -0.13 -3.33 0.00 0.00 175.10 171.26 1wh9 s ARG 31 N -1.54 0.90 -0.05 1.54 0.52 -0.54 -4.90 118.95 114.89 1wh9 s ARG 31 Ca -0.13 -1.24 -0.01 0.00 -0.52 0.00 0.00 55.73 53.83 1wh9 s ARG 31 Cb -0.10 -0.53 0.03 0.00 0.52 0.00 0.00 34.95 34.87 1wh9 s ARG 31 CO -0.00 0.07 0.00 0.54 0.02 0.00 0.00 175.30 175.93 1wh9 s VAL 32 N -2.74 0.28 0.49 3.52 0.11 -1.26 -1.10 120.40 119.70 1wh9 s VAL 32 Ca 0.09 0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.27 1wh9 s VAL 32 Cb -0.01 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 1wh9 s VAL 32 CO -0.00 0.21 0.01 0.42 -3.33 0.00 0.00 175.10 172.41 1wh9 s THR 33 N 1.58 1.29 -2.00 5.04 -4.23 -0.32 -5.00 115.64 112.01 1wh9 s THR 33 Ca -0.01 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.53 1wh9 s THR 33 Cb -0.13 -2.32 0.11 0.00 1.34 0.00 0.00 72.50 71.50 1wh9 s THR 33 CO -0.03 0.00 0.79 -0.81 -0.54 0.00 0.00 174.62 174.03 1wh9 n PRO 34 N -1.20 0.61 0.00 3.99 -0.04 -1.26 -4.06 135.00 133.04 1wh9 n PRO 34 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1wh9 n PRO 34 Cb 0.67 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 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 -0.60 0.00 -3.83 0.52 -2.24 -1.26 -5.14 114.28 101.74 1wh9 n THR 35 Ca 0.03 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.74 1wh9 n THR 35 Cb 0.01 -0.79 -0.00 0.00 -2.10 0.00 0.00 70.33 67.45 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 -1.86 1.79 0.25 -0.78 1.70 -1.26 -4.82 118.95 113.97 1wh9 s ARG 36 Ca 0.00 -1.05 -0.12 0.00 -0.47 0.00 0.00 55.73 54.09 1wh9 s ARG 36 Cb 0.00 0.56 -0.08 0.00 -0.57 0.00 0.00 34.95 34.87 1wh9 s ARG 36 CO 0.00 -0.83 0.62 0.99 -1.08 0.00 0.00 175.30 175.00 1wh9 s THR 37 N -3.22 4.83 -0.02 4.99 2.01 -0.19 -1.17 115.64 122.87 1wh9 s THR 37 Ca 0.13 0.68 0.04 0.00 0.31 0.00 0.00 61.69 62.86 1wh9 s THR 37 Cb -0.05 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 1wh9 s THR 37 CO 0.07 -0.08 -0.15 -1.61 -0.69 0.00 0.00 174.62 172.17 1wh9 s GLU 38 N -2.79 1.33 -0.09 4.92 2.02 -0.26 -1.50 118.70 122.34 1wh9 s GLU 38 Ca 0.49 -0.53 -0.01 0.00 0.02 0.00 0.00 54.97 54.94 1wh9 s GLU 38 Cb -0.11 -1.24 0.03 0.00 0.10 0.00 0.00 34.13 32.90 1wh9 s GLU 38 CO 0.20 0.28 -0.04 0.42 0.02 0.00 0.00 175.26 176.14 1wh9 s ILE 39 N -0.20 0.74 -0.39 -1.63 1.01 -0.06 -1.46 121.20 119.22 1wh9 s ILE 39 Ca 0.03 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1wh9 s ILE 39 Cb -0.07 -0.82 0.12 0.00 0.01 0.00 0.00 42.46 41.70 1wh9 s ILE 39 CO 0.00 0.32 0.16 -0.63 0.00 0.00 0.00 174.94 174.79 1wh9 s ILE 40 N 1.75 1.54 0.69 2.92 1.09 0.03 -0.45 121.20 128.78 1wh9 s ILE 40 Ca 0.04 -2.24 -0.16 0.00 -1.10 0.00 0.00 60.65 57.19 1wh9 s ILE 40 Cb -0.13 -2.11 0.01 0.00 -1.06 0.00 0.00 42.46 39.17 1wh9 s ILE 40 CO -0.06 -0.76 1.19 -0.63 -0.10 0.00 0.00 174.94 174.58 1wh9 s ILE 41 N 0.78 2.53 -0.28 2.92 1.09 -1.02 -0.27 121.20 126.94 1wh9 s ILE 41 Ca 0.14 0.27 0.02 0.00 -1.10 0.00 0.00 60.65 59.98 1wh9 s ILE 41 Cb -0.21 -2.89 0.07 0.00 -1.06 0.00 0.00 42.46 38.36 1wh9 s ILE 41 CO -0.09 -0.13 -0.06 -0.76 -0.10 0.00 0.00 174.94 173.81 1wh9 s LEU 42 N -4.84 3.79 0.05 2.97 1.43 0.46 -0.22 118.68 122.33 1wh9 s LEU 42 Ca 0.74 -1.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1wh9 s LEU 42 Cb -0.28 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1wh9 s LEU 42 CO 0.42 -0.24 -0.04 0.00 0.23 0.00 0.00 176.35 176.71 1wh9 s ALA 43 N 1.10 0.55 0.34 4.21 0.00 -0.95 -1.49 121.76 125.52 1wh9 s ALA 43 Ca -0.05 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 50.84 1wh9 s ALA 43 Cb -0.20 0.22 0.61 0.00 0.00 0.00 0.00 23.12 23.75 1wh9 s ALA 43 CO -0.05 -0.29 1.87 1.79 0.00 0.00 0.00 175.76 179.09 1wh9 h THR 44 N 3.41 1.20 -2.61 0.00 1.35 -1.27 -2.81 112.91 112.19 1wh9 h THR 44 Ca -0.34 -0.79 -0.60 0.00 -0.55 0.00 0.00 66.41 64.13 1wh9 h THR 44 Cb 1.16 0.98 -0.39 0.00 -1.73 0.00 0.00 68.15 68.17 1wh9 h THR 44 CO 0.61 0.27 -0.85 -0.13 -0.25 0.00 0.00 175.52 175.16 1wh9 s ARG 45 N -4.93 1.20 0.40 4.72 0.52 -1.26 -4.72 118.95 114.88 1wh9 s ARG 45 Ca -0.07 -2.23 0.14 0.00 -0.52 0.00 0.00 55.73 53.05 1wh9 s ARG 45 Cb 0.15 -1.90 0.99 0.00 0.52 0.00 0.00 34.95 34.72 1wh9 s ARG 45 CO 0.76 -1.32 1.88 1.79 0.02 0.00 0.00 175.30 178.44 1wh9 h THR 46 N 4.71 0.76 -0.63 0.02 1.35 -1.88 -1.78 112.91 115.46 1wh9 h THR 46 Ca 0.18 -0.17 -0.01 0.00 -0.55 0.00 0.00 66.41 65.87 1wh9 h THR 46 Cb 0.89 0.23 -0.03 0.00 -1.73 0.00 0.00 68.15 67.51 1wh9 h THR 46 CO 0.44 0.09 0.37 -0.61 -0.25 0.00 0.00 175.52 175.56 1wh9 h GLN 47 N 0.49 0.85 -0.27 4.72 5.75 -1.95 -0.24 115.11 124.47 1wh9 h GLN 47 Ca 0.43 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.80 1wh9 h GLN 47 Cb 0.92 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 1wh9 h GLN 47 CO -0.17 0.61 -0.04 -0.91 -2.65 0.00 0.00 178.83 175.67 1wh9 h ASN 48 N 0.87 0.50 0.20 -0.69 2.35 -1.67 0.20 115.58 117.34 1wh9 h ASN 48 Ca 0.23 -0.35 -0.05 0.00 -0.55 0.00 0.00 56.30 55.58 1wh9 h ASN 48 Cb -0.02 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1wh9 h ASN 48 CO -0.04 0.73 -0.21 0.58 -1.65 0.00 0.00 177.43 176.84 1wh9 h VAL 49 N 0.26 1.16 0.02 2.81 2.07 -1.34 -1.91 116.25 119.31 1wh9 h VAL 49 Ca 0.07 -0.74 -0.27 0.00 0.82 0.00 0.00 66.70 66.59 1wh9 h VAL 49 Cb 0.50 1.38 0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1wh9 h VAL 49 CO 0.02 0.21 -1.06 -0.07 0.02 0.00 0.00 177.57 176.70 1wh9 h LEU 50 N 0.02 0.90 -0.05 2.57 3.38 -0.90 -3.24 115.31 117.99 1wh9 h LEU 50 Ca 0.00 -0.75 0.07 0.00 0.09 0.00 0.00 57.88 57.29 1wh9 h LEU 50 Cb 0.38 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1wh9 h LEU 50 CO 0.03 1.54 -0.10 0.61 0.09 0.00 0.00 178.44 180.60 1wh9 n GLY 51 N 1.13 -1.41 3.61 0.83 0.00 0.05 -0.69 105.19 108.71 1wh9 n GLY 51 Ca -0.11 -1.47 -0.46 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.65 2.06 -4.33 1.61 2.13 -1.26 -1.99 120.64 117.21 1wh9 n GLU 52 Ca 0.00 0.67 -0.34 0.00 0.66 0.00 0.00 57.16 58.16 1wh9 n GLU 52 Cb 0.12 -2.90 -0.09 0.00 0.27 0.00 0.00 31.44 28.85 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 7.83 -0.87 -0.71 5.31 5.02 -1.26 -1.34 118.16 132.13 1wh9 n LYS 53 Ca 0.28 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1wh9 n LYS 53 Cb 0.36 -3.84 0.00 0.00 -0.02 0.00 0.00 35.03 31.53 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 -2.07 0.66 0.34 0.72 0.00 -0.84 -4.97 105.19 99.01 1wh9 n GLY 54 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 1.96 -0.19 -0.40 1.61 2.47 -0.76 -1.55 114.38 117.52 1wh9 h ARG 55 Ca 0.00 0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.60 1wh9 h ARG 55 Cb 0.00 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1wh9 h ARG 55 CO 0.00 -0.13 -0.28 -0.09 0.56 0.00 0.00 179.97 180.03 1wh9 h ARG 56 N -0.20 0.90 -0.71 0.04 9.65 -1.17 -1.76 114.38 121.13 1wh9 h ARG 56 Ca 0.08 -0.43 -0.04 0.00 -1.10 0.00 0.00 59.98 58.49 1wh9 h ARG 56 Cb 0.40 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.95 1wh9 h ARG 56 CO -0.54 1.08 0.30 0.97 2.80 0.00 0.00 179.97 184.58 1wh9 h ILE 57 N 0.72 1.25 0.27 1.20 2.10 -1.33 0.19 117.51 121.91 1wh9 h ILE 57 Ca 0.08 -0.75 -0.01 0.00 1.08 0.00 0.00 64.86 65.25 1wh9 h ILE 57 Cb 0.86 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 1wh9 h ILE 57 CO 0.08 0.30 -0.13 -0.09 -1.08 0.00 0.00 178.15 177.23 1wh9 h ARG 58 N 1.02 -0.34 -0.35 2.19 1.12 -1.02 0.95 114.38 117.94 1wh9 h ARG 58 Ca 0.24 0.02 0.02 0.00 -1.11 0.00 0.00 59.98 59.15 1wh9 h ARG 58 Cb 0.19 0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.20 1wh9 h ARG 58 CO -0.02 -0.23 0.18 0.93 -3.11 0.00 0.00 179.97 177.72 1wh9 h GLU 59 N -0.36 0.36 -0.02 0.20 5.08 -1.12 -2.15 114.58 116.58 1wh9 h GLU 59 Ca -0.04 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1wh9 h GLU 59 Cb 0.27 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1wh9 h GLU 59 CO 0.06 0.24 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.15 1wh9 h LEU 60 N 0.37 0.03 0.16 1.33 3.38 -0.42 -1.13 115.31 119.03 1wh9 h LEU 60 Ca 0.14 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1wh9 h LEU 60 Cb 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1wh9 h LEU 60 CO -0.09 0.12 -0.08 0.74 0.09 0.00 0.00 178.44 179.22 1wh9 h THR 61 N 0.03 0.87 -0.11 0.22 2.02 -0.18 -1.77 112.91 113.98 1wh9 h THR 61 Ca 0.01 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1wh9 h THR 61 Cb 0.17 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1wh9 h THR 61 CO 0.01 0.03 0.06 0.00 0.37 0.00 0.00 175.52 175.99 1wh9 h ALA 62 N 0.55 0.14 -0.39 6.16 0.00 -0.78 0.14 119.26 125.09 1wh9 h ALA 62 Ca -0.02 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1wh9 h ALA 62 Cb 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1wh9 h ALA 62 CO 0.04 -0.30 0.26 -0.24 0.00 0.00 0.00 179.25 179.00 1wh9 h VAL 63 N 0.06 1.09 -0.42 0.00 3.04 -1.32 -0.71 116.25 117.99 1wh9 h VAL 63 Ca 0.04 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 1wh9 h VAL 63 Cb 0.11 0.53 -0.02 0.00 -2.01 0.00 0.00 31.29 29.89 1wh9 h VAL 63 CO -0.01 0.10 0.27 0.58 -1.01 0.00 0.00 177.57 177.50 1wh9 h VAL 64 N 0.52 1.12 -0.75 1.51 2.07 -1.05 0.14 116.25 119.81 1wh9 h VAL 64 Ca 0.15 -0.25 0.14 0.00 0.82 0.00 0.00 66.70 67.55 1wh9 h VAL 64 Cb -0.05 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.16 1wh9 h VAL 64 CO -0.04 0.12 0.31 1.56 0.02 0.00 0.00 177.57 179.55 1wh9 h GLN 65 N 0.57 0.45 0.04 1.57 4.20 -0.38 0.64 115.11 122.19 1wh9 h GLN 65 Ca 0.15 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1wh9 h GLN 65 Cb -0.03 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1wh9 h GLN 65 CO -0.03 0.30 -0.02 -0.22 -0.67 0.00 0.00 178.83 178.19 1wh9 h LYS 66 N 0.47 -0.05 -0.38 1.46 3.64 -0.43 0.50 116.57 121.78 1wh9 h LYS 66 Ca 0.41 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.76 1wh9 h LYS 66 Cb 0.59 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1wh9 h LYS 66 CO -0.38 0.46 0.12 -0.09 -2.27 0.00 0.00 179.45 177.29 1wh9 h ARG 67 N -0.59 0.60 0.00 1.90 1.12 -0.33 -3.26 114.38 113.82 1wh9 h ARG 67 Ca -0.01 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 58.73 1wh9 h ARG 67 Cb 0.53 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.41 1wh9 h ARG 67 CO 0.01 0.61 -1.19 1.19 -3.11 0.00 0.00 179.97 177.48 1wh9 n PHE 68 N -4.61 0.00 -0.71 2.20 3.72 0.18 -5.01 117.46 113.23 1wh9 n PHE 68 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1wh9 n PHE 68 Cb 0.18 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 1wh9 n PHE 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wh9 n GLY 69 N 1.44 0.59 3.77 1.37 0.00 0.13 -5.03 105.19 107.45 1wh9 n GLY 69 Ca 0.01 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.00 2.76 0.35 1.61 0.08 -0.94 -5.00 117.98 114.85 1wh9 s PHE 70 Ca 0.00 1.12 -0.27 0.00 0.12 0.00 0.00 56.93 57.89 1wh9 s PHE 70 Cb 0.00 -3.94 -0.09 0.00 -0.57 0.00 0.00 43.02 38.41 1wh9 s PHE 70 CO 0.00 -2.86 1.23 -1.25 -0.10 0.00 0.00 175.22 172.24 1wh9 s PRO 71 N -1.50 4.25 0.42 0.24 0.04 -1.26 -4.85 135.00 132.35 1wh9 s PRO 71 Ca 0.55 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 63.39 1wh9 s PRO 71 Cb -0.45 -2.93 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 1wh9 s PRO 71 CO 0.56 -0.21 1.04 -2.00 0.04 0.00 0.00 177.00 176.43 1wh9 s GLU 72 N -1.95 4.07 0.00 4.56 2.12 -1.26 -2.45 118.70 123.78 1wh9 s GLU 72 Ca 0.52 1.44 0.00 0.00 0.36 0.00 0.00 54.97 57.29 1wh9 s GLU 72 Cb -0.36 -2.40 0.00 0.00 0.26 0.00 0.00 34.13 31.64 1wh9 s GLU 72 CO 0.46 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 175.38 1wh9 n GLY 73 N 0.12 1.49 0.00 -1.50 0.00 -1.26 -4.73 105.19 99.31 1wh9 n GLY 73 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 1.55 -4.26 1.61 7.64 -1.03 -4.88 113.62 114.25 1wh9 n SER 74 Ca 0.00 -1.65 -0.30 0.00 1.01 0.00 0.00 58.87 57.93 1wh9 n SER 74 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 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 -0.65 1.94 -0.00 0.44 0.11 -1.05 -1.02 120.40 120.17 1wh9 s VAL 75 Ca 0.00 -1.02 0.05 0.00 -2.93 0.00 0.00 61.98 58.08 1wh9 s VAL 75 Cb 0.00 -1.63 -0.01 0.00 -1.53 0.00 0.00 36.38 33.20 1wh9 s VAL 75 CO 0.00 0.54 -0.16 -1.61 -3.33 0.00 0.00 175.10 170.54 1wh9 s GLU 76 N -0.27 1.28 -0.12 1.54 0.41 -0.56 -4.96 118.70 116.01 1wh9 s GLU 76 Ca 0.01 -0.61 0.03 0.00 -0.41 0.00 0.00 54.97 53.98 1wh9 s GLU 76 Cb -0.12 -1.25 0.01 0.00 -1.78 0.00 0.00 34.13 30.99 1wh9 s GLU 76 CO 0.02 0.34 -0.22 -0.51 -0.49 0.00 0.00 175.26 174.40 1wh9 s LEU 77 N -0.49 2.07 0.28 1.80 1.02 -1.26 -0.88 118.68 121.22 1wh9 s LEU 77 Ca 0.06 -0.57 0.03 0.00 0.02 0.00 0.00 54.13 53.67 1wh9 s LEU 77 Cb -0.06 -1.40 -0.06 0.00 0.02 0.00 0.00 46.19 44.69 1wh9 s LEU 77 CO -0.00 0.10 0.04 -0.31 0.02 0.00 0.00 176.35 176.19 1wh9 s TYR 78 N 0.68 1.77 -0.04 0.29 2.02 0.41 -4.98 117.35 117.49 1wh9 s TYR 78 Ca -0.11 -0.96 -0.01 0.00 -0.37 0.00 0.00 57.07 55.61 1wh9 s TYR 78 Cb -0.16 -1.09 0.03 0.00 -0.40 0.00 0.00 41.96 40.34 1wh9 s TYR 78 CO 0.02 -0.04 0.04 0.00 -1.57 0.00 0.00 175.55 173.99 1wh9 s ALA 79 N -3.39 0.34 0.16 3.71 0.00 -1.26 -2.45 121.76 118.88 1wh9 s ALA 79 Ca 0.34 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.46 1wh9 s ALA 79 Cb 0.07 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1wh9 s ALA 79 CO 0.13 -0.40 0.20 -2.00 0.00 0.00 0.00 175.76 173.69 1wh9 s GLU 80 N 1.89 3.12 0.06 0.00 -6.30 0.70 -4.94 118.70 113.22 1wh9 s GLU 80 Ca 0.02 -0.77 0.00 0.00 -2.50 0.00 0.00 54.97 51.72 1wh9 s GLU 80 Cb -0.12 -2.77 -0.04 0.00 0.00 0.00 0.00 34.13 31.20 1wh9 s GLU 80 CO -0.03 0.49 0.18 0.21 0.02 0.00 0.00 175.26 176.13 1wh9 s LYS 81 N -3.21 3.32 0.29 4.30 2.20 -1.26 -2.23 119.74 123.14 1wh9 s LYS 81 Ca 0.32 -0.48 -0.24 0.00 -0.36 0.00 0.00 55.97 55.21 1wh9 s LYS 81 Cb -0.10 -2.98 -0.09 0.00 -1.51 0.00 0.00 37.83 33.15 1wh9 s LYS 81 CO 0.26 0.61 0.87 0.08 -0.36 0.00 0.00 175.35 176.81 1wh9 s VAL 82 N -1.46 4.32 -0.28 4.02 1.01 -1.06 -4.83 120.40 122.12 1wh9 s VAL 82 Ca 0.33 1.67 -0.25 0.00 0.00 0.00 0.00 61.98 63.74 1wh9 s VAL 82 Cb -0.13 -3.98 0.10 0.00 0.00 0.00 0.00 36.38 32.37 1wh9 s VAL 82 CO 0.25 0.18 0.89 0.00 0.00 0.00 0.00 175.10 176.43 1wh9 s ALA 83 N -1.56 -1.90 0.50 5.51 0.00 -1.26 -4.97 121.76 118.08 1wh9 s ALA 83 Ca 0.47 1.96 -0.21 0.00 0.00 0.00 0.00 51.96 54.18 1wh9 s ALA 83 Cb -0.18 -1.34 -0.07 0.00 0.00 0.00 0.00 23.12 21.53 1wh9 s ALA 83 CO 0.23 -0.29 1.14 -0.08 0.00 0.00 0.00 175.76 176.77 1wh9 s THR 84 N 0.36 3.19 0.72 0.00 -1.32 -1.26 -5.03 115.64 112.29 1wh9 s THR 84 Ca 0.01 0.82 -0.14 0.00 -1.21 0.00 0.00 61.69 61.17 1wh9 s THR 84 Cb -0.05 -3.38 0.03 0.00 -1.51 0.00 0.00 72.50 67.60 1wh9 s THR 84 CO -0.04 -0.09 1.15 -0.60 -2.21 0.00 0.00 174.62 172.84 1wh9 s ARG 85 N -2.97 2.35 0.00 7.08 3.52 -1.26 -4.88 118.95 122.79 1wh9 s ARG 85 Ca 0.68 1.55 0.00 0.00 -0.13 0.00 0.00 55.73 57.82 1wh9 s ARG 85 Cb -0.26 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.25 1wh9 s ARG 85 CO 0.30 -1.63 0.00 0.41 -0.81 0.00 0.00 175.30 173.57 1wh9 n GLY 86 N -0.12 -2.41 1.47 8.12 0.00 -1.26 -5.14 105.19 105.85 1wh9 n GLY 86 Ca 0.12 -2.13 0.19 0.00 0.00 0.00 0.00 46.02 44.20 1wh9 n GLY 86 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh9 n SER 87 N 0.00 -8.79 -5.02 1.61 7.64 -1.26 -5.01 113.62 102.78 1wh9 n SER 87 Ca 0.00 0.90 -0.20 0.00 1.01 0.00 0.00 58.87 60.58 1wh9 n SER 87 Cb 0.00 -4.65 0.05 0.00 -1.01 0.00 0.00 64.21 58.60 1wh9 n SER 87 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh9 s GLY 88 N -7.26 1.80 -0.00 0.23 0.00 -1.26 -5.07 107.32 95.76 1wh9 s GLY 88 Ca 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 44.72 42.66 1wh9 s GLY 88 CO 0.00 -1.72 0.51 -0.56 0.00 0.00 0.00 173.10 171.33 1wh9 h PRO 89 N 0.23 -0.03 0.00 2.90 0.13 -2.06 -3.47 132.00 129.70 1wh9 h PRO 89 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1wh9 h PRO 89 Cb 1.29 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1wh9 h PRO 89 CO 0.43 -0.02 0.00 0.45 -0.23 0.00 0.00 178.00 178.62 1wh9 n SER 90 N -2.17 0.00 0.00 1.44 2.88 -1.26 -5.03 113.62 109.47 1wh9 n SER 90 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wh9 n SER 90 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1wh9 n SER 90 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wh9 n SER 91 N -0.74 -2.95 0.00 -3.46 7.64 -1.26 -5.27 113.62 107.58 1wh9 n SER 91 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wh9 n SER 91 Cb 0.00 -1.64 0.00 0.00 -1.01 0.00 0.00 64.21 61.56 1wh9 n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64