#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 -6.93 -4.34 1.61 2.88 -1.26 -5.04 113.62 100.55 1wh9 n SER 2 Ca 0.00 0.11 -0.29 0.00 -1.33 0.00 0.00 58.87 57.36 1wh9 n SER 2 Cb 0.00 -3.94 0.18 0.00 -0.75 0.00 0.00 64.21 59.70 1wh9 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wh9 s SER 3 N -2.35 2.65 0.83 -3.46 1.04 -1.26 -4.89 113.70 106.27 1wh9 s SER 3 Ca 0.24 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.36 1wh9 s SER 3 Cb -0.05 -1.03 0.00 0.00 0.10 0.00 0.00 66.02 65.04 1wh9 s SER 3 CO 0.81 -3.06 0.00 0.61 0.98 0.00 0.00 173.24 172.58 1wh9 n GLY 4 N -2.24 1.67 3.20 7.32 0.00 -1.26 -4.40 105.19 109.48 1wh9 n GLY 4 Ca 0.11 0.51 -0.26 0.00 0.00 0.00 0.00 46.02 46.38 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 -4.00 2.31 -0.06 1.61 0.01 -1.26 -5.15 113.70 107.15 1wh9 s SER 5 Ca 0.00 -0.36 -0.19 0.00 1.31 0.00 0.00 55.95 56.71 1wh9 s SER 5 Cb 0.00 -0.26 0.04 0.00 0.21 0.00 0.00 66.02 66.01 1wh9 s SER 5 CO 0.00 0.24 0.43 -0.55 0.41 0.00 0.00 173.24 173.77 1wh9 s SER 6 N -0.48 -0.37 0.00 2.44 0.15 -1.26 -5.10 113.70 109.07 1wh9 s SER 6 Ca 0.08 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1wh9 s SER 6 Cb -0.08 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1wh9 s SER 6 CO -0.01 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1wh9 n GLY 7 N 1.60 -0.26 0.16 9.45 0.00 -1.26 -4.26 105.19 110.62 1wh9 n GLY 7 Ca -0.19 -1.49 -0.05 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.08 0.00 1.61 3.57 -2.01 -1.45 116.94 118.58 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 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 1wh9 h PHE 8 CO 0.00 -0.10 -0.10 -0.22 -2.23 0.00 0.00 178.31 175.66 1wh9 h LYS 9 N 0.06 0.00 0.42 1.11 3.64 -1.98 0.23 116.57 120.06 1wh9 h LYS 9 Ca 0.18 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1wh9 h LYS 9 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1wh9 h LYS 9 CO -0.33 0.10 -0.20 0.00 -2.27 0.00 0.00 179.45 176.75 1wh9 h ALA 10 N 1.90 -0.57 -0.63 5.00 0.00 -1.45 -1.41 119.26 122.10 1wh9 h ALA 10 Ca -0.00 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1wh9 h ALA 10 Cb 0.18 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1wh9 h ALA 10 CO 0.01 -0.58 0.27 0.93 0.00 0.00 0.00 179.25 179.88 1wh9 h GLU 11 N -1.05 0.47 -0.39 0.00 4.39 -1.14 -0.01 114.58 116.85 1wh9 h GLU 11 Ca -0.06 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 1wh9 h GLU 11 Cb 0.53 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1wh9 h GLU 11 CO 0.10 0.31 -0.05 1.25 -1.16 0.00 0.00 179.01 179.46 1wh9 h LEU 12 N 0.48 0.71 -0.00 1.33 5.85 -1.05 0.37 115.31 123.00 1wh9 h LEU 12 Ca 0.31 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1wh9 h LEU 12 Cb 0.34 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1wh9 h LEU 12 CO -0.28 0.88 -0.11 -1.13 -0.34 0.00 0.00 178.44 177.47 1wh9 h ASN 13 N 0.53 -0.31 0.05 1.25 -1.24 -0.53 -0.25 115.58 115.09 1wh9 h ASN 13 Ca 0.10 0.05 0.02 0.00 0.71 0.00 0.00 56.30 57.18 1wh9 h ASN 13 Cb 0.54 0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.69 1wh9 h ASN 13 CO 0.03 -0.15 -0.18 -0.33 -1.29 0.00 0.00 177.43 175.50 1wh9 h GLU 14 N -0.18 -0.31 -0.44 6.67 4.39 -0.95 0.99 114.58 124.74 1wh9 h GLU 14 Ca 0.04 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.84 1wh9 h GLU 14 Cb 0.23 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.88 1wh9 h GLU 14 CO -0.11 -0.21 0.02 0.35 -1.16 0.00 0.00 179.01 177.90 1wh9 h PHE 15 N -0.33 0.01 -0.41 4.33 3.57 -0.59 -2.17 116.94 121.35 1wh9 h PHE 15 Ca 0.04 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 1wh9 h PHE 15 Cb 0.37 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1wh9 h PHE 15 CO -0.21 -0.07 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.47 1wh9 h LEU 16 N 0.13 0.90 -0.58 0.59 3.38 -0.92 -1.91 115.31 116.91 1wh9 h LEU 16 Ca 0.22 -0.35 0.11 0.00 0.09 0.00 0.00 57.88 57.94 1wh9 h LEU 16 Cb 0.31 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.72 1wh9 h LEU 16 CO -0.34 1.11 0.09 0.74 0.09 0.00 0.00 178.44 180.13 1wh9 h THR 17 N 0.74 0.63 -0.16 0.22 2.02 -0.20 -0.14 112.91 116.02 1wh9 h THR 17 Ca 0.09 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1wh9 h THR 17 Cb 0.81 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1wh9 h THR 17 CO 0.07 0.04 -0.02 0.03 0.37 0.00 0.00 175.52 176.01 1wh9 h ARG 18 N 0.22 0.30 0.00 6.66 3.08 -1.26 -2.12 114.38 121.25 1wh9 h ARG 18 Ca 0.30 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1wh9 h ARG 18 Cb 0.45 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1wh9 h ARG 18 CO -0.41 0.56 0.00 0.39 -1.07 0.00 0.00 179.97 179.43 1wh9 n GLU 19 N -4.70 0.13 -0.10 0.04 -0.58 -0.73 -3.58 120.64 111.12 1wh9 n GLU 19 Ca -0.05 0.27 0.04 0.00 -0.42 0.00 0.00 57.16 57.00 1wh9 n GLU 19 Cb 0.25 -1.71 0.06 0.00 -0.57 0.00 0.00 31.44 29.46 1wh9 n GLU 19 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wh9 n LEU 20 N -1.95 1.62 -0.21 -4.62 4.77 -0.12 -4.90 117.00 111.60 1wh9 n LEU 20 Ca 0.04 -2.06 0.00 0.00 -0.03 0.00 0.00 56.01 53.96 1wh9 n LEU 20 Cb 0.28 -0.17 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1wh9 n LEU 20 CO 0.22 0.49 0.76 0.00 -1.33 0.00 0.00 177.39 177.53 1wh9 h ALA 21 N 0.00 0.47 0.00 -1.18 0.00 -1.44 -1.25 119.26 115.87 1wh9 h ALA 21 Ca 0.00 0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 1wh9 h ALA 21 Cb 0.89 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1wh9 h ALA 21 CO 0.00 -0.42 -1.30 0.93 0.00 0.00 0.00 179.25 178.45 1wh9 h GLU 22 N 0.02 0.00 -0.43 0.00 5.08 -1.90 -3.36 114.58 113.99 1wh9 h GLU 22 Ca 0.31 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1wh9 h GLU 22 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1wh9 h GLU 22 CO -0.63 0.42 0.20 -0.44 -1.00 0.00 0.00 179.01 177.56 1wh9 h ASP 23 N 0.00 0.54 0.00 1.42 5.19 -1.61 -3.46 116.42 118.50 1wh9 h ASP 23 Ca -0.15 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1wh9 h ASP 23 Cb 1.66 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 41.03 1wh9 h ASP 23 CO 0.06 0.47 0.00 0.61 -3.12 0.00 0.00 179.24 177.26 1wh9 n GLY 24 N -1.24 0.67 3.57 2.75 0.00 -0.75 -4.16 105.19 106.04 1wh9 n GLY 24 Ca 0.03 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.93 1.02 0.00 1.61 5.04 -1.20 -0.66 117.35 122.23 1wh9 s TYR 25 Ca 0.00 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 1wh9 s TYR 25 Cb 0.00 -3.28 0.00 0.00 0.35 0.00 0.00 41.96 39.03 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 -4.70 0.00 0.00 4.32 7.64 -0.87 -4.68 113.62 115.34 1wh9 n SER 26 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1wh9 n SER 26 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 -0.16 -0.09 3.47 0.23 0.00 -1.02 -2.08 105.19 105.55 1wh9 n GLY 27 Ca 0.00 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.94 0.00 0.21 1.61 0.11 -1.26 -0.48 120.40 117.66 1wh9 s VAL 28 Ca 0.00 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 1wh9 s VAL 28 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1wh9 s VAL 28 CO 0.00 0.00 -0.15 -1.61 -3.33 0.00 0.00 175.10 170.01 1wh9 s GLU 29 N -2.62 1.37 -0.03 1.54 2.02 0.04 -4.93 118.70 116.08 1wh9 s GLU 29 Ca -0.03 -1.61 -0.02 0.00 0.02 0.00 0.00 54.97 53.33 1wh9 s GLU 29 Cb -0.01 -1.18 0.02 0.00 0.10 0.00 0.00 34.13 33.06 1wh9 s GLU 29 CO -0.04 0.19 0.08 0.54 0.02 0.00 0.00 175.26 176.06 1wh9 s VAL 30 N -2.93 -0.02 -0.08 2.63 0.11 -1.26 -1.45 120.40 117.39 1wh9 s VAL 30 Ca 0.23 0.09 -0.00 0.00 -2.93 0.00 0.00 61.98 59.37 1wh9 s VAL 30 Cb -0.01 -0.13 0.02 0.00 -1.53 0.00 0.00 36.38 34.73 1wh9 s VAL 30 CO 0.08 0.04 -0.05 -0.13 -3.33 0.00 0.00 175.10 171.71 1wh9 s ARG 31 N 0.54 1.07 -0.62 1.54 0.52 -0.63 -5.01 118.95 116.36 1wh9 s ARG 31 Ca -0.04 -0.10 -0.06 0.00 -0.52 0.00 0.00 55.73 55.00 1wh9 s ARG 31 Cb -0.06 -1.20 0.16 0.00 0.52 0.00 0.00 34.95 34.37 1wh9 s ARG 31 CO -0.02 -0.22 0.47 0.08 0.02 0.00 0.00 175.30 175.63 1wh9 s VAL 32 N 1.56 4.14 0.86 3.52 1.01 -1.26 -1.25 120.40 128.98 1wh9 s VAL 32 Ca 0.00 -2.60 -0.10 0.00 0.00 0.00 0.00 61.98 59.28 1wh9 s VAL 32 Cb -0.13 -3.67 0.16 0.00 0.00 0.00 0.00 36.38 32.73 1wh9 s VAL 32 CO -0.04 -0.88 1.19 0.42 0.00 0.00 0.00 175.10 175.79 1wh9 s THR 33 N 0.31 2.06 -2.00 3.92 -4.23 -1.26 -4.98 115.64 109.47 1wh9 s THR 33 Ca 0.15 -0.20 0.10 0.00 -1.18 0.00 0.00 61.69 60.55 1wh9 s THR 33 Cb -0.19 -2.86 0.29 0.00 1.34 0.00 0.00 72.50 71.08 1wh9 s THR 33 CO -0.04 0.00 1.25 -0.81 -0.54 0.00 0.00 174.62 174.48 1wh9 n PRO 34 N -3.39 0.82 0.02 3.99 -0.04 -1.26 -4.47 135.00 130.67 1wh9 n PRO 34 Ca 0.14 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.58 1wh9 n PRO 34 Cb 0.60 -1.20 -0.01 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.70 1.08 -3.54 0.52 -2.24 -1.26 -5.11 114.28 103.04 1wh9 n THR 35 Ca 0.08 0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 61.97 1wh9 n THR 35 Cb 0.04 -1.69 -0.06 0.00 -2.10 0.00 0.00 70.33 66.52 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 -2.14 0.96 0.28 -0.78 1.70 -1.26 -4.96 118.95 112.75 1wh9 s ARG 36 Ca -0.05 0.27 -0.29 0.00 -0.47 0.00 0.00 55.73 55.18 1wh9 s ARG 36 Cb 0.01 0.45 -0.10 0.00 -0.57 0.00 0.00 34.95 34.75 1wh9 s ARG 36 CO 0.08 -0.29 1.21 0.99 -1.08 0.00 0.00 175.30 176.20 1wh9 s THR 37 N -1.11 3.19 -0.09 4.99 2.01 -0.46 -4.16 115.64 120.01 1wh9 s THR 37 Ca -0.09 1.14 -0.00 0.00 0.31 0.00 0.00 61.69 63.05 1wh9 s THR 37 Cb -0.00 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1wh9 s THR 37 CO 0.08 0.25 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.58 1wh9 s GLU 38 N -1.24 2.97 -0.12 4.92 2.02 -0.38 -1.14 118.70 125.73 1wh9 s GLU 38 Ca 0.49 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.93 1wh9 s GLU 38 Cb -0.35 -2.66 0.02 0.00 0.10 0.00 0.00 34.13 31.24 1wh9 s GLU 38 CO 0.44 0.55 -0.13 0.42 0.02 0.00 0.00 175.26 176.56 1wh9 s ILE 39 N -0.51 1.42 -0.29 -1.63 1.01 -0.17 -1.61 121.20 119.43 1wh9 s ILE 39 Ca 0.08 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1wh9 s ILE 39 Cb -0.12 -1.33 0.08 0.00 0.01 0.00 0.00 42.46 41.10 1wh9 s ILE 39 CO 0.02 0.43 0.03 -0.63 0.00 0.00 0.00 174.94 174.79 1wh9 s ILE 40 N 1.33 1.56 0.48 2.92 1.09 -0.53 -0.12 121.20 127.93 1wh9 s ILE 40 Ca 0.00 -1.62 -0.23 0.00 -1.10 0.00 0.00 60.65 57.70 1wh9 s ILE 40 Cb -0.14 -2.03 -0.07 0.00 -1.06 0.00 0.00 42.46 39.17 1wh9 s ILE 40 CO -0.07 -0.43 1.28 -0.63 -0.10 0.00 0.00 174.94 174.99 1wh9 s ILE 41 N 1.31 2.56 -0.28 2.92 1.09 -0.73 -0.78 121.20 127.30 1wh9 s ILE 41 Ca 0.04 0.44 -0.01 0.00 -1.10 0.00 0.00 60.65 60.02 1wh9 s ILE 41 Cb -0.18 -3.23 0.04 0.00 -1.06 0.00 0.00 42.46 38.02 1wh9 s ILE 41 CO -0.13 0.01 -0.03 -0.76 -0.10 0.00 0.00 174.94 173.93 1wh9 s LEU 42 N -3.09 3.59 0.14 2.97 1.43 0.37 -0.29 118.68 123.80 1wh9 s LEU 42 Ca 0.65 -1.12 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1wh9 s LEU 42 Cb -0.36 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1wh9 s LEU 42 CO 0.43 -0.20 0.11 0.00 0.23 0.00 0.00 176.35 176.92 1wh9 s ALA 43 N 1.27 0.72 -0.27 4.21 0.00 -0.70 -2.04 121.76 124.96 1wh9 s ALA 43 Ca -0.03 -1.38 0.21 0.00 0.00 0.00 0.00 51.96 50.75 1wh9 s ALA 43 Cb -0.19 0.91 0.09 0.00 0.00 0.00 0.00 23.12 23.94 1wh9 s ALA 43 CO -0.03 -0.53 1.24 1.79 0.00 0.00 0.00 175.76 178.24 1wh9 h THR 44 N 2.78 0.19 -2.05 0.00 1.35 -1.14 -2.26 112.91 111.78 1wh9 h THR 44 Ca -0.34 -1.31 -0.52 0.00 -0.55 0.00 0.00 66.41 63.68 1wh9 h THR 44 Cb 1.21 1.86 -0.41 0.00 -1.73 0.00 0.00 68.15 69.08 1wh9 h THR 44 CO 0.56 0.11 -0.97 0.54 -0.25 0.00 0.00 175.52 175.51 1wh9 n ARG 45 N -2.91 1.94 -0.25 4.72 1.74 -1.26 -4.84 116.66 115.80 1wh9 n ARG 45 Ca 0.00 -3.98 0.07 0.00 -0.77 0.00 0.00 57.85 53.16 1wh9 n ARG 45 Cb 0.61 -1.91 0.31 0.00 -1.02 0.00 0.00 32.46 30.46 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 1.91 1.00 -0.54 0.55 1.35 -1.91 -0.31 112.91 114.96 1wh9 h THR 46 Ca 0.11 -0.29 -0.05 0.00 -0.55 0.00 0.00 66.41 65.63 1wh9 h THR 46 Cb 0.80 0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.27 1wh9 h THR 46 CO 0.63 0.15 0.13 -0.61 -0.25 0.00 0.00 175.52 175.58 1wh9 h GLN 47 N 0.85 0.84 -0.14 4.72 5.75 -1.97 0.06 115.11 125.21 1wh9 h GLN 47 Ca 0.37 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.71 1wh9 h GLN 47 Cb 0.33 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1wh9 h GLN 47 CO -0.14 0.76 0.03 -0.97 -2.65 0.00 0.00 178.83 175.86 1wh9 h ASN 48 N 0.81 0.02 -0.48 -0.69 -1.24 -1.44 -1.76 115.58 110.80 1wh9 h ASN 48 Ca 0.18 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 1wh9 h ASN 48 Cb 0.30 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 1wh9 h ASN 48 CO -0.00 0.03 0.27 0.58 -1.29 0.00 0.00 177.43 177.03 1wh9 h VAL 49 N 0.09 1.16 -0.75 2.57 2.07 -1.14 -2.87 116.25 117.39 1wh9 h VAL 49 Ca 0.06 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1wh9 h VAL 49 Cb 0.05 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1wh9 h VAL 49 CO -0.08 0.17 0.30 -0.07 0.02 0.00 0.00 177.57 177.91 1wh9 h LEU 50 N 0.64 1.02 0.00 2.57 3.38 -0.70 -3.31 115.31 118.89 1wh9 h LEU 50 Ca 0.17 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1wh9 h LEU 50 Cb 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1wh9 h LEU 50 CO -0.03 0.90 -0.09 0.61 0.09 0.00 0.00 178.44 179.93 1wh9 n GLY 51 N -0.92 -2.18 3.53 0.83 0.00 -0.69 -1.28 105.19 104.48 1wh9 n GLY 51 Ca 0.07 -1.46 -0.45 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.50 1.52 -4.15 1.61 2.13 -1.26 -1.92 120.64 117.07 1wh9 n GLU 52 Ca 0.00 0.39 -0.29 0.00 0.66 0.00 0.00 57.16 57.92 1wh9 n GLU 52 Cb 0.11 -2.94 -0.06 0.00 0.27 0.00 0.00 31.44 28.82 1wh9 n GLU 52 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wh9 n LYS 53 N 8.57 -1.83 -2.83 5.31 5.02 -1.26 -1.39 118.16 129.76 1wh9 n LYS 53 Ca 0.35 0.22 -0.11 0.00 -2.02 0.00 0.00 58.31 56.75 1wh9 n LYS 53 Cb 0.37 -3.91 0.03 0.00 -0.02 0.00 0.00 35.03 31.49 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 -2.32 0.18 0.13 0.72 0.00 -0.81 -4.99 105.19 98.10 1wh9 n GLY 54 Ca -0.31 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.99 -0.31 -0.53 1.61 1.12 0.06 -2.61 114.38 112.73 1wh9 h ARG 55 Ca -0.26 0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 58.58 1wh9 h ARG 55 Cb 1.18 0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 31.18 1wh9 h ARG 55 CO 0.27 -0.21 0.14 0.00 -3.11 0.00 0.00 179.97 177.07 1wh9 h ARG 56 N -0.35 0.80 -0.57 0.20 -0.00 -1.44 -1.20 114.38 111.82 1wh9 h ARG 56 Ca -0.03 -0.15 0.04 0.00 -0.50 0.00 0.00 59.98 59.33 1wh9 h ARG 56 Cb 0.25 -0.13 -0.04 0.00 0.00 0.00 0.00 29.97 30.05 1wh9 h ARG 56 CO 0.05 0.72 0.32 0.97 0.00 0.00 0.00 179.97 182.03 1wh9 h ILE 57 N 0.78 1.01 -0.04 2.04 2.10 -1.60 0.65 117.51 122.45 1wh9 h ILE 57 Ca 0.17 -0.21 -0.00 0.00 1.08 0.00 0.00 64.86 65.90 1wh9 h ILE 57 Cb 0.27 0.33 -0.00 0.00 -1.09 0.00 0.00 36.82 36.32 1wh9 h ILE 57 CO -0.00 0.11 0.02 -0.09 -1.08 0.00 0.00 178.15 177.11 1wh9 h ARG 58 N 0.62 0.06 -0.11 2.19 2.43 -0.92 -0.97 114.38 117.69 1wh9 h ARG 58 Ca 0.24 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1wh9 h ARG 58 Cb 0.09 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1wh9 h ARG 58 CO -0.14 0.20 -0.13 0.93 -1.51 0.00 0.00 179.97 179.32 1wh9 h GLU 59 N -0.09 -0.16 -0.01 0.20 5.08 -0.97 -2.51 114.58 116.11 1wh9 h GLU 59 Ca 0.01 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1wh9 h GLU 59 Cb 0.16 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1wh9 h GLU 59 CO -0.00 -0.11 -0.39 -0.07 -1.00 0.00 0.00 179.01 177.44 1wh9 h LEU 60 N -0.17 0.02 -1.28 1.33 3.38 -0.84 -1.47 115.31 116.27 1wh9 h LEU 60 Ca 0.08 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1wh9 h LEU 60 Cb 0.29 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1wh9 h LEU 60 CO -0.21 0.41 0.53 0.74 0.09 0.00 0.00 178.44 180.00 1wh9 h THR 61 N 0.01 1.01 0.05 0.22 2.02 -0.73 0.14 112.91 115.64 1wh9 h THR 61 Ca -0.00 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1wh9 h THR 61 Cb 0.70 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1wh9 h THR 61 CO 0.05 0.15 -0.02 0.00 0.37 0.00 0.00 175.52 176.07 1wh9 h ALA 62 N 1.57 -0.07 -0.69 6.16 0.00 -1.11 -1.47 119.26 123.65 1wh9 h ALA 62 Ca 0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1wh9 h ALA 62 Cb 0.30 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1wh9 h ALA 62 CO -0.13 -0.21 0.39 -0.24 0.00 0.00 0.00 179.25 179.05 1wh9 h VAL 63 N -0.73 1.21 -0.33 0.00 3.04 -1.21 -1.00 116.25 117.23 1wh9 h VAL 63 Ca -0.01 -0.52 0.04 0.00 -1.01 0.00 0.00 66.70 65.20 1wh9 h VAL 63 Cb 0.62 0.30 -0.03 0.00 -2.01 0.00 0.00 31.29 30.16 1wh9 h VAL 63 CO 0.01 0.23 0.12 0.58 -1.01 0.00 0.00 177.57 177.50 1wh9 h VAL 64 N 0.95 0.92 -0.91 1.51 2.07 -0.81 0.21 116.25 120.19 1wh9 h VAL 64 Ca 0.24 -0.09 0.16 0.00 0.82 0.00 0.00 66.70 67.83 1wh9 h VAL 64 Cb 0.03 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 30.35 1wh9 h VAL 64 CO -0.04 0.05 0.59 1.56 0.02 0.00 0.00 177.57 179.75 1wh9 h GLN 65 N 0.27 0.66 0.17 1.57 4.20 -0.52 -0.38 115.11 121.08 1wh9 h GLN 65 Ca 0.15 -0.04 -0.34 0.00 0.06 0.00 0.00 58.65 58.48 1wh9 h GLN 65 Cb 0.11 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.75 1wh9 h GLN 65 CO -0.14 0.43 -1.70 0.87 -0.67 0.00 0.00 178.83 177.62 1wh9 h LYS 66 N 0.68 0.36 -0.58 1.46 1.57 -0.39 0.81 116.57 120.48 1wh9 h LYS 66 Ca 0.47 -0.62 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1wh9 h LYS 66 Cb 0.80 0.23 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 1wh9 h LYS 66 CO -0.23 1.27 0.23 -0.09 -0.57 0.00 0.00 179.45 180.06 1wh9 h ARG 67 N 0.10 0.83 0.00 3.15 1.12 -0.27 -3.33 114.38 115.98 1wh9 h ARG 67 Ca -0.32 -0.13 -0.01 0.00 -1.11 0.00 0.00 59.98 58.41 1wh9 h ARG 67 Cb 2.08 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 31.89 1wh9 h ARG 67 CO 0.18 0.69 -1.28 1.19 -3.11 0.00 0.00 179.97 177.63 1wh9 n PHE 68 N -4.33 0.00 0.00 2.20 3.72 -0.18 -5.04 117.46 113.83 1wh9 n PHE 68 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1wh9 n PHE 68 Cb 0.16 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 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 2.24 0.56 3.61 1.37 0.00 0.23 -5.06 105.19 108.13 1wh9 n GLY 69 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1wh9 n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wh9 n PHE 70 N -1.78 0.99 -1.54 1.61 3.72 -0.90 -4.95 117.46 114.63 1wh9 n PHE 70 Ca 0.00 0.51 -0.32 0.00 -0.05 0.00 0.00 57.45 57.59 1wh9 n PHE 70 Cb 0.00 -2.19 0.07 0.00 -0.94 0.00 0.00 39.48 36.42 1wh9 n PHE 70 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1wh9 s PRO 71 N -2.22 2.51 0.30 -1.08 0.02 -1.26 -4.81 135.00 128.46 1wh9 s PRO 71 Ca 0.67 1.36 -0.29 0.00 0.02 0.00 0.00 61.00 62.75 1wh9 s PRO 71 Cb -0.51 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.00 1wh9 s PRO 71 CO 0.54 -1.47 1.17 -1.21 -0.33 0.00 0.00 177.00 175.70 1wh9 s GLU 72 N -4.35 4.55 0.00 5.54 2.02 -1.26 -3.25 118.70 121.94 1wh9 s GLU 72 Ca 0.66 1.94 0.00 0.00 0.02 0.00 0.00 54.97 57.58 1wh9 s GLU 72 Cb -0.20 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 30.88 1wh9 s GLU 72 CO 0.47 0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.24 1wh9 n GLY 73 N 1.07 2.02 0.01 -1.39 0.00 -1.26 -4.68 105.19 100.95 1wh9 n GLY 73 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 0.08 0.06 -4.20 1.61 7.64 -1.20 -4.66 113.62 112.94 1wh9 n SER 74 Ca 0.00 0.24 -0.32 0.00 1.01 0.00 0.00 58.87 59.80 1wh9 n SER 74 Cb 0.00 -0.38 -0.17 0.00 -1.01 0.00 0.00 64.21 62.66 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 -2.87 2.12 -0.06 0.44 0.11 -1.21 -1.36 120.40 117.58 1wh9 s VAL 75 Ca 0.18 -0.97 0.03 0.00 -2.93 0.00 0.00 61.98 58.28 1wh9 s VAL 75 Cb 0.19 -1.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.18 1wh9 s VAL 75 CO 0.52 0.55 -0.12 -1.61 -3.33 0.00 0.00 175.10 171.11 1wh9 s GLU 76 N 0.65 2.61 -0.08 1.54 0.41 -0.29 -4.97 118.70 118.57 1wh9 s GLU 76 Ca -0.11 -0.65 0.03 0.00 -0.41 0.00 0.00 54.97 53.83 1wh9 s GLU 76 Cb -0.16 -2.45 -0.02 0.00 -1.78 0.00 0.00 34.13 29.72 1wh9 s GLU 76 CO 0.02 0.62 -0.18 -0.51 -0.49 0.00 0.00 175.26 174.72 1wh9 s LEU 77 N -0.71 2.48 0.30 1.80 1.02 -1.26 -1.00 118.68 121.32 1wh9 s LEU 77 Ca 0.11 -0.36 0.02 0.00 0.02 0.00 0.00 54.13 53.92 1wh9 s LEU 77 Cb -0.11 -1.51 -0.05 0.00 0.02 0.00 0.00 46.19 44.54 1wh9 s LEU 77 CO 0.01 0.24 0.10 -0.31 0.02 0.00 0.00 176.35 176.41 1wh9 s TYR 78 N -0.11 1.68 0.05 0.29 2.02 0.83 -4.96 117.35 117.15 1wh9 s TYR 78 Ca -0.03 -1.18 0.04 0.00 -0.37 0.00 0.00 57.07 55.53 1wh9 s TYR 78 Cb -0.14 -1.01 -0.03 0.00 -0.40 0.00 0.00 41.96 40.39 1wh9 s TYR 78 CO 0.04 -0.29 -0.11 0.00 -1.57 0.00 0.00 175.55 173.62 1wh9 s ALA 79 N -3.56 0.91 0.07 3.71 0.00 -1.26 -1.77 121.76 119.85 1wh9 s ALA 79 Ca 0.36 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.51 1wh9 s ALA 79 Cb 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1wh9 s ALA 79 CO 0.15 0.10 -0.12 -2.00 0.00 0.00 0.00 175.76 173.89 1wh9 s GLU 80 N -1.52 0.74 0.40 0.00 -6.30 0.60 -4.90 118.70 107.73 1wh9 s GLU 80 Ca -0.04 -0.93 -0.17 0.00 -2.50 0.00 0.00 54.97 51.33 1wh9 s GLU 80 Cb -0.09 -0.63 -0.09 0.00 0.00 0.00 0.00 34.13 33.32 1wh9 s GLU 80 CO 0.01 0.13 0.85 0.21 0.02 0.00 0.00 175.26 176.48 1wh9 s LYS 81 N -1.86 4.05 0.51 4.30 2.20 -1.26 -1.71 119.74 125.96 1wh9 s LYS 81 Ca -0.03 0.84 -0.04 0.00 -0.36 0.00 0.00 55.97 56.38 1wh9 s LYS 81 Cb -0.09 -2.29 -0.02 0.00 -1.51 0.00 0.00 37.83 33.92 1wh9 s LYS 81 CO 0.01 0.00 0.80 0.14 -0.36 0.00 0.00 175.35 175.95 1wh9 s VAL 82 N -2.19 4.33 0.00 4.02 -7.23 -0.85 -4.81 120.40 113.67 1wh9 s VAL 82 Ca 0.57 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 1wh9 s VAL 82 Cb -0.10 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.18 1wh9 s VAL 82 CO 0.20 -0.62 0.00 0.00 -0.31 0.00 0.00 175.10 174.37 1wh9 n ALA 83 N -2.32 0.00 -0.17 1.32 0.00 -1.26 -4.98 120.51 113.09 1wh9 n ALA 83 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 1wh9 n ALA 83 Cb 0.56 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.09 1wh9 n ALA 83 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1wh9 h THR 84 N 0.00 0.73 0.00 0.00 1.35 -2.04 -3.44 112.91 109.51 1wh9 h THR 84 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1wh9 h THR 84 Cb 0.00 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 66.84 1wh9 h THR 84 CO 0.00 0.05 0.00 -1.14 -0.25 0.00 0.00 175.52 174.18 1wh9 n ARG 85 N -5.08 0.00 0.00 4.72 0.63 -1.26 -5.19 116.66 110.48 1wh9 n ARG 85 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1wh9 n ARG 85 Cb 0.26 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.17 1wh9 n ARG 85 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wh9 n GLY 86 N 0.40 0.41 1.18 5.14 0.00 -1.26 -5.08 105.19 105.96 1wh9 n GLY 86 Ca 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 -6.40 -4.73 1.61 7.64 -1.12 -4.93 113.62 105.69 1wh9 n SER 87 Ca 0.00 0.81 -0.42 0.00 1.01 0.00 0.00 58.87 60.27 1wh9 n SER 87 Cb 0.00 -2.77 -0.03 0.00 -1.01 0.00 0.00 64.21 60.40 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 -1.35 1.48 0.07 0.23 0.00 -0.88 -4.78 107.32 102.09 1wh9 s GLY 88 Ca 0.00 1.59 -0.17 0.00 0.00 0.00 0.00 44.72 46.15 1wh9 s GLY 88 CO 0.00 2.79 1.35 -0.56 0.00 0.00 0.00 173.10 176.68 1wh9 h PRO 89 N 6.19 0.58 -5.91 2.90 0.13 -1.91 -3.39 132.00 130.59 1wh9 h PRO 89 Ca -0.44 -0.35 -0.55 0.00 -0.87 0.00 0.00 66.00 63.79 1wh9 h PRO 89 Cb 1.21 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1wh9 h PRO 89 CO 0.91 0.96 1.51 -1.12 -0.23 0.00 0.00 178.00 180.03 1wh9 s SER 90 N -6.50 5.20 0.00 1.44 0.01 -1.26 -4.59 113.70 107.99 1wh9 s SER 90 Ca -0.13 1.58 0.00 0.00 1.31 0.00 0.00 55.95 58.71 1wh9 s SER 90 Cb 0.07 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1wh9 s SER 90 CO 0.81 -2.21 0.00 -1.54 0.41 0.00 0.00 173.24 170.71 1wh9 n SER 91 N 12.79 0.00 0.00 2.44 3.41 -1.26 -5.22 113.62 125.78 1wh9 n SER 91 Ca 0.31 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1wh9 n SER 91 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1wh9 n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49