#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 6.42 0.26 1.61 0.01 -1.26 -5.11 113.70 115.63 1wh9 s SER 2 Ca 0.00 1.15 -0.15 0.00 1.31 0.00 0.00 55.95 58.26 1wh9 s SER 2 Cb 0.00 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1wh9 s SER 2 CO 0.00 -0.53 0.54 -0.44 0.41 0.00 0.00 173.24 173.22 1wh9 s SER 3 N -3.55 -0.13 -0.30 2.44 0.01 -1.26 -5.17 113.70 105.75 1wh9 s SER 3 Ca 0.51 -0.85 -0.15 0.00 1.31 0.00 0.00 55.95 56.77 1wh9 s SER 3 Cb -0.10 0.62 0.18 0.00 0.21 0.00 0.00 66.02 66.93 1wh9 s SER 3 CO 0.38 -1.20 1.11 -0.83 0.41 0.00 0.00 173.24 173.11 1wh9 s GLY 4 N -3.00 -0.28 -0.02 3.44 0.00 -1.26 -5.01 107.32 101.20 1wh9 s GLY 4 Ca 0.20 2.87 -0.15 0.00 0.00 0.00 0.00 44.72 47.64 1wh9 s GLY 4 CO 0.09 3.88 0.69 0.23 0.00 0.00 0.00 173.10 177.99 1wh9 h SER 5 N 7.97 -0.47 -2.19 1.64 0.87 -2.02 -3.44 113.55 115.91 1wh9 h SER 5 Ca -0.12 0.02 -0.49 0.00 -1.23 0.00 0.00 61.79 59.96 1wh9 h SER 5 Cb 1.18 0.12 -0.35 0.00 -0.44 0.00 0.00 62.40 62.91 1wh9 h SER 5 CO -0.14 -0.10 -0.83 -0.44 -0.53 0.00 0.00 176.83 174.79 1wh9 s SER 6 N -4.57 1.49 -0.02 6.23 0.01 -1.26 -5.05 113.70 110.53 1wh9 s SER 6 Ca -0.08 -2.35 -0.01 0.00 1.31 0.00 0.00 55.95 54.82 1wh9 s SER 6 Cb 0.01 0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.29 1wh9 s SER 6 CO 0.24 -0.22 0.04 -0.83 0.41 0.00 0.00 173.24 172.89 1wh9 s GLY 7 N 0.74 0.01 0.14 3.44 0.00 -1.26 -5.06 107.32 105.33 1wh9 s GLY 7 Ca 0.25 0.21 -0.24 0.00 0.00 0.00 0.00 44.72 44.94 1wh9 s GLY 7 CO -0.09 0.35 1.63 -2.75 0.00 0.00 0.00 173.10 172.25 1wh9 h PHE 8 N 6.58 -0.71 -0.38 1.90 3.57 -2.00 -1.67 116.94 124.24 1wh9 h PHE 8 Ca -0.33 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.19 1wh9 h PHE 8 Cb 1.17 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 40.23 1wh9 h PHE 8 CO 0.44 -0.35 0.18 -0.22 -2.23 0.00 0.00 178.31 176.14 1wh9 h LYS 9 N -0.33 0.52 0.69 1.11 3.64 -1.98 -1.12 116.57 119.09 1wh9 h LYS 9 Ca 0.10 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1wh9 h LYS 9 Cb 0.48 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1wh9 h LYS 9 CO -0.32 0.40 -0.33 0.00 -2.27 0.00 0.00 179.45 176.93 1wh9 h ALA 10 N 1.68 -0.93 -0.93 5.00 0.00 -1.79 -0.10 119.26 122.18 1wh9 h ALA 10 Ca 0.13 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.94 1wh9 h ALA 10 Cb 0.06 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1wh9 h ALA 10 CO -0.02 -0.90 0.60 0.93 0.00 0.00 0.00 179.25 179.86 1wh9 h GLU 11 N -1.18 0.86 -0.31 0.00 4.39 -1.08 0.14 114.58 117.39 1wh9 h GLU 11 Ca -0.10 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.47 1wh9 h GLU 11 Cb 0.74 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1wh9 h GLU 11 CO 0.16 0.57 -0.12 1.25 -1.16 0.00 0.00 179.01 179.70 1wh9 h LEU 12 N 0.88 0.64 -0.55 1.33 5.85 -1.17 0.69 115.31 122.98 1wh9 h LEU 12 Ca 0.45 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1wh9 h LEU 12 Cb 0.51 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1wh9 h LEU 12 CO -0.22 0.89 0.28 -1.13 -0.34 0.00 0.00 178.44 177.92 1wh9 h ASN 13 N 0.39 0.71 0.74 1.25 -1.24 -0.08 -0.67 115.58 116.68 1wh9 h ASN 13 Ca 0.07 -0.12 -0.06 0.00 0.71 0.00 0.00 56.30 56.91 1wh9 h ASN 13 Cb 0.64 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 1wh9 h ASN 13 CO 0.04 0.63 -0.27 -0.33 -1.29 0.00 0.00 177.43 176.21 1wh9 h GLU 14 N 0.74 0.00 0.20 6.67 4.39 -0.62 0.19 114.58 126.16 1wh9 h GLU 14 Ca 0.19 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1wh9 h GLU 14 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1wh9 h GLU 14 CO -0.03 0.27 -0.10 0.35 -1.16 0.00 0.00 179.01 178.35 1wh9 h PHE 15 N 0.00 -0.25 -0.80 4.33 3.57 -0.67 -3.34 116.94 119.78 1wh9 h PHE 15 Ca -0.00 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.65 1wh9 h PHE 15 Cb 0.72 0.08 -0.10 0.00 2.79 0.00 0.00 35.95 39.44 1wh9 h PHE 15 CO 0.00 -0.16 0.34 -0.07 -2.23 0.00 0.00 178.31 176.20 1wh9 h LEU 16 N -0.61 0.33 -1.60 0.59 3.38 -1.09 0.04 115.31 116.36 1wh9 h LEU 16 Ca -0.03 0.11 0.19 0.00 0.09 0.00 0.00 57.88 58.25 1wh9 h LEU 16 Cb 0.21 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1wh9 h LEU 16 CO 0.05 0.11 0.56 0.74 0.09 0.00 0.00 178.44 179.98 1wh9 h THR 17 N 0.47 0.71 0.10 0.22 2.02 -0.78 -1.58 112.91 114.07 1wh9 h THR 17 Ca 0.45 -0.12 -0.35 0.00 0.77 0.00 0.00 66.41 67.16 1wh9 h THR 17 Cb 0.71 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1wh9 h THR 17 CO -0.42 0.06 -1.96 0.54 0.37 0.00 0.00 175.52 174.12 1wh9 n ARG 18 N -4.47 0.73 -0.27 6.66 1.74 -0.15 -3.12 116.66 117.77 1wh9 n ARG 18 Ca 0.17 0.29 -0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1wh9 n ARG 18 Cb 0.66 -1.70 0.12 0.00 -1.02 0.00 0.00 32.46 30.52 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 -0.07 0.80 -0.19 5.56 4.39 -0.67 -2.89 114.58 121.52 1wh9 h GLU 19 Ca -0.43 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.15 1wh9 h GLU 19 Cb 1.94 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 30.37 1wh9 h GLU 19 CO 0.04 0.53 -0.17 1.28 -1.16 0.00 0.00 179.01 179.53 1wh9 n LEU 20 N -4.71 3.42 -0.34 1.33 4.77 -0.64 -4.76 117.00 116.07 1wh9 n LEU 20 Ca 0.10 -3.58 0.11 0.00 -0.03 0.00 0.00 56.01 52.62 1wh9 n LEU 20 Cb 0.17 -0.56 0.31 0.00 -2.33 0.00 0.00 43.42 41.02 1wh9 n LEU 20 CO 0.30 1.12 1.21 0.00 -1.33 0.00 0.00 177.39 178.69 1wh9 h ALA 21 N 0.96 1.68 0.00 -1.18 0.00 -1.45 -1.23 119.26 118.03 1wh9 h ALA 21 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wh9 h ALA 21 Cb 1.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1wh9 h ALA 21 CO 0.20 0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.84 1wh9 n GLU 22 N -4.68 0.25 0.00 0.00 -0.58 -1.26 -4.35 120.64 110.02 1wh9 n GLU 22 Ca 0.21 0.21 0.05 0.00 -0.42 0.00 0.00 57.16 57.21 1wh9 n GLU 22 Cb 0.50 -1.79 -0.12 0.00 -0.57 0.00 0.00 31.44 29.46 1wh9 n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1wh9 n ASP 23 N -2.23 0.35 0.00 1.62 8.00 -0.47 -4.97 116.55 118.85 1wh9 n ASP 23 Ca 0.06 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1wh9 n ASP 23 Cb 0.42 1.13 0.00 0.00 -0.02 0.00 0.00 41.12 42.65 1wh9 n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wh9 n GLY 24 N 1.36 1.42 3.62 0.44 0.00 -1.24 -4.66 105.19 106.14 1wh9 n GLY 24 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 1.56 0.24 1.61 5.04 -1.23 -0.99 117.35 121.57 1wh9 s TYR 25 Ca 0.00 1.63 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 1wh9 s TYR 25 Cb 0.00 -3.27 0.00 0.00 0.35 0.00 0.00 41.96 39.04 1wh9 s TYR 25 CO 0.00 -3.09 0.00 0.43 -1.34 0.00 0.00 175.55 171.55 1wh9 n SER 26 N -4.42 0.02 -0.79 4.32 7.64 -0.82 -4.76 113.62 114.81 1wh9 n SER 26 Ca 0.09 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1wh9 n SER 26 Cb 0.53 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 64.00 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 1.83 1.45 3.10 0.23 0.00 -0.85 -5.04 105.19 105.91 1wh9 n GLY 27 Ca 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.57 0.14 0.27 1.61 0.11 -1.26 -0.46 120.40 118.25 1wh9 s VAL 28 Ca 0.00 -1.17 0.07 0.00 -2.93 0.00 0.00 61.98 57.94 1wh9 s VAL 28 Cb 0.00 -0.92 -0.06 0.00 -1.53 0.00 0.00 36.38 33.87 1wh9 s VAL 28 CO 0.00 -0.65 -0.07 -1.61 -3.33 0.00 0.00 175.10 169.44 1wh9 s GLU 29 N -2.70 1.53 -0.01 1.54 2.02 -0.06 -4.91 118.70 116.10 1wh9 s GLU 29 Ca -0.04 -1.76 0.03 0.00 0.02 0.00 0.00 54.97 53.22 1wh9 s GLU 29 Cb -0.01 -1.16 -0.01 0.00 0.10 0.00 0.00 34.13 33.05 1wh9 s GLU 29 CO -0.05 0.06 -0.11 0.54 0.02 0.00 0.00 175.26 175.72 1wh9 s VAL 30 N -3.00 0.89 -0.01 2.63 0.11 -1.26 -0.92 120.40 118.84 1wh9 s VAL 30 Ca 0.29 -0.48 0.03 0.00 -2.93 0.00 0.00 61.98 58.89 1wh9 s VAL 30 Cb 0.03 -0.75 -0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1wh9 s VAL 30 CO 0.11 0.26 -0.09 -0.13 -3.33 0.00 0.00 175.10 171.92 1wh9 s ARG 31 N -0.22 0.80 -0.11 1.54 0.52 -0.77 -5.01 118.95 115.70 1wh9 s ARG 31 Ca 0.04 -0.31 -0.02 0.00 -0.52 0.00 0.00 55.73 54.91 1wh9 s ARG 31 Cb -0.05 -0.77 0.04 0.00 0.52 0.00 0.00 34.95 34.69 1wh9 s ARG 31 CO -0.00 0.17 0.02 0.08 0.02 0.00 0.00 175.30 175.59 1wh9 s VAL 32 N -0.08 0.32 0.48 3.52 1.01 -1.26 -1.21 120.40 123.19 1wh9 s VAL 32 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1wh9 s VAL 32 Cb -0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1wh9 s VAL 32 CO -0.00 0.08 0.01 0.42 0.00 0.00 0.00 175.10 175.61 1wh9 s THR 33 N 1.98 1.27 -2.00 3.92 -4.23 -0.99 -5.01 115.64 110.58 1wh9 s THR 33 Ca 0.03 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.67 1wh9 s THR 33 Cb -0.14 -2.34 0.37 0.00 1.34 0.00 0.00 72.50 71.74 1wh9 s THR 33 CO -0.06 0.00 1.27 -0.81 -0.54 0.00 0.00 174.62 174.48 1wh9 n PRO 34 N -1.17 0.66 -0.04 3.99 -0.04 -1.26 -4.11 135.00 133.03 1wh9 n PRO 34 Ca -0.15 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.22 1wh9 n PRO 34 Cb 0.67 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.67 -3.83 0.52 -2.24 -1.26 -5.13 114.28 102.20 1wh9 n THR 35 Ca 0.10 -0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 61.77 1wh9 n THR 35 Cb 0.05 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 66.61 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 -2.19 1.97 0.42 -0.78 1.70 -1.26 -4.96 118.95 113.85 1wh9 s ARG 36 Ca -0.12 -1.19 -0.17 0.00 -0.47 0.00 0.00 55.73 53.77 1wh9 s ARG 36 Cb 0.04 0.60 -0.09 0.00 -0.57 0.00 0.00 34.95 34.93 1wh9 s ARG 36 CO 0.16 -0.91 0.89 0.99 -1.08 0.00 0.00 175.30 175.34 1wh9 s THR 37 N -3.03 4.54 -0.01 4.99 2.01 0.26 -2.35 115.64 122.06 1wh9 s THR 37 Ca 0.14 1.20 -0.02 0.00 0.31 0.00 0.00 61.69 63.32 1wh9 s THR 37 Cb -0.05 -3.65 -0.00 0.00 0.01 0.00 0.00 72.50 68.81 1wh9 s THR 37 CO 0.09 -0.40 0.03 -1.61 -0.69 0.00 0.00 174.62 172.04 1wh9 s GLU 38 N -3.42 0.13 -0.04 4.92 2.02 -0.35 -1.32 118.70 120.65 1wh9 s GLU 38 Ca 0.58 -0.12 -0.02 0.00 0.02 0.00 0.00 54.97 55.44 1wh9 s GLU 38 Cb -0.10 0.05 0.03 0.00 0.10 0.00 0.00 34.13 34.22 1wh9 s GLU 38 CO 0.20 -0.02 0.08 0.42 0.02 0.00 0.00 175.26 175.96 1wh9 s ILE 39 N -0.39 -0.10 -0.29 -1.63 1.01 -0.68 -1.84 121.20 117.28 1wh9 s ILE 39 Ca -0.04 0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.92 1wh9 s ILE 39 Cb -0.03 -0.16 0.08 0.00 0.01 0.00 0.00 42.46 42.36 1wh9 s ILE 39 CO -0.00 0.12 -0.01 -0.63 0.00 0.00 0.00 174.94 174.41 1wh9 s ILE 40 N 1.55 1.95 0.10 2.92 1.09 -0.10 -0.62 121.20 128.09 1wh9 s ILE 40 Ca -0.04 -1.81 -0.31 0.00 -1.10 0.00 0.00 60.65 57.40 1wh9 s ILE 40 Cb -0.12 -2.28 -0.07 0.00 -1.06 0.00 0.00 42.46 38.93 1wh9 s ILE 40 CO -0.04 -0.33 1.34 -0.63 -0.10 0.00 0.00 174.94 175.17 1wh9 s ILE 41 N 1.14 3.49 -0.34 2.92 1.01 -0.74 -0.89 121.20 127.80 1wh9 s ILE 41 Ca 0.01 1.07 -0.14 0.00 0.00 0.00 0.00 60.65 61.59 1wh9 s ILE 41 Cb -0.19 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1wh9 s ILE 41 CO -0.08 0.09 0.33 -0.76 0.00 0.00 0.00 174.94 174.51 1wh9 s LEU 42 N 1.05 4.42 0.20 2.97 1.43 0.40 -0.45 118.68 128.70 1wh9 s LEU 42 Ca 0.63 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.46 1wh9 s LEU 42 Cb -0.35 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1wh9 s LEU 42 CO 0.30 -0.29 0.18 0.00 0.23 0.00 0.00 176.35 176.76 1wh9 s ALA 43 N 1.94 0.97 0.28 4.21 0.00 -0.90 -1.95 121.76 126.30 1wh9 s ALA 43 Ca 0.10 -1.58 0.07 0.00 0.00 0.00 0.00 51.96 50.55 1wh9 s ALA 43 Cb -0.17 1.33 0.39 0.00 0.00 0.00 0.00 23.12 24.68 1wh9 s ALA 43 CO 0.11 -0.62 1.65 1.79 0.00 0.00 0.00 175.76 178.69 1wh9 h THR 44 N 2.58 1.36 -2.70 0.00 1.35 -1.36 -1.12 112.91 113.01 1wh9 h THR 44 Ca -0.35 -1.77 -0.60 0.00 -0.55 0.00 0.00 66.41 63.14 1wh9 h THR 44 Cb 1.25 1.88 -0.39 0.00 -1.73 0.00 0.00 68.15 69.16 1wh9 h THR 44 CO 0.51 0.52 -0.82 -0.13 -0.25 0.00 0.00 175.52 175.34 1wh9 s ARG 45 N -3.91 1.13 0.32 4.72 0.52 -1.26 -4.73 118.95 115.74 1wh9 s ARG 45 Ca -0.03 -2.05 0.07 0.00 -0.52 0.00 0.00 55.73 53.19 1wh9 s ARG 45 Cb 0.13 -1.92 0.74 0.00 0.52 0.00 0.00 34.95 34.42 1wh9 s ARG 45 CO 0.77 -1.26 1.83 1.79 0.02 0.00 0.00 175.30 178.45 1wh9 h THR 46 N 4.88 0.82 -0.62 0.02 1.35 -1.86 -0.85 112.91 116.65 1wh9 h THR 46 Ca 0.12 -0.27 0.04 0.00 -0.55 0.00 0.00 66.41 65.75 1wh9 h THR 46 Cb 0.91 -0.04 -0.04 0.00 -1.73 0.00 0.00 68.15 67.25 1wh9 h THR 46 CO 0.42 0.14 0.36 0.06 -0.25 0.00 0.00 175.52 176.26 1wh9 h GLN 47 N 0.78 0.68 -0.42 4.72 -0.00 -1.95 0.13 115.11 119.06 1wh9 h GLN 47 Ca 0.50 -0.04 -0.14 0.00 -0.00 0.00 0.00 58.65 58.97 1wh9 h GLN 47 Cb 0.73 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.48 28.05 1wh9 h GLN 47 CO -0.27 0.45 -0.27 -0.91 -0.00 0.00 0.00 178.83 177.84 1wh9 h ASN 48 N 0.70 0.96 -0.35 0.06 4.21 -1.56 -0.92 115.58 118.69 1wh9 h ASN 48 Ca 0.26 -0.42 0.00 0.00 1.21 0.00 0.00 56.30 57.35 1wh9 h ASN 48 Cb 0.08 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 36.99 1wh9 h ASN 48 CO -0.13 1.18 0.23 0.58 -1.29 0.00 0.00 177.43 178.00 1wh9 h VAL 49 N 0.75 1.08 -0.17 2.81 2.07 -1.05 -3.09 116.25 118.65 1wh9 h VAL 49 Ca 0.09 -0.16 -0.17 0.00 0.82 0.00 0.00 66.70 67.28 1wh9 h VAL 49 Cb 0.85 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1wh9 h VAL 49 CO 0.07 0.08 -0.58 -0.07 0.02 0.00 0.00 177.57 177.10 1wh9 h LEU 50 N 0.46 0.61 -0.02 2.57 3.38 -0.77 -3.32 115.31 118.22 1wh9 h LEU 50 Ca 0.13 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.80 1wh9 h LEU 50 Cb -0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1wh9 h LEU 50 CO -0.03 1.06 -0.05 0.61 0.09 0.00 0.00 178.44 180.12 1wh9 n GLY 51 N 0.30 -1.34 3.50 0.83 0.00 -0.37 -1.41 105.19 106.72 1wh9 n GLY 51 Ca -0.03 -1.50 -0.47 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.32 1.38 -4.40 1.61 4.07 -1.26 -1.49 120.64 119.24 1wh9 n GLU 52 Ca 0.00 0.36 -0.35 0.00 -0.06 0.00 0.00 57.16 57.11 1wh9 n GLU 52 Cb 0.06 -2.77 -0.09 0.00 -0.06 0.00 0.00 31.44 28.58 1wh9 n GLU 52 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1wh9 n LYS 53 N 8.45 -0.92 -0.80 5.31 5.02 -1.26 -1.36 118.16 132.60 1wh9 n LYS 53 Ca 0.37 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1wh9 n LYS 53 Cb 0.32 -4.04 0.00 0.00 -0.02 0.00 0.00 35.03 31.29 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 -2.00 0.62 0.21 0.72 0.00 -0.55 -4.97 105.19 99.22 1wh9 n GLY 54 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 1.72 0.41 -0.36 1.61 3.08 -0.96 -1.74 114.38 118.15 1wh9 h ARG 55 Ca 0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1wh9 h ARG 55 Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1wh9 h ARG 55 CO 0.00 0.27 0.11 0.00 -1.07 0.00 0.00 179.97 179.29 1wh9 h ARG 56 N 0.43 0.56 -0.26 0.04 -0.00 -1.47 -1.91 114.38 111.77 1wh9 h ARG 56 Ca 0.24 -0.12 -0.10 0.00 -0.50 0.00 0.00 59.98 59.50 1wh9 h ARG 56 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.10 1wh9 h ARG 56 CO -0.22 0.58 -0.26 0.97 0.00 0.00 0.00 179.97 181.04 1wh9 h ILE 57 N 0.44 1.27 -0.05 2.04 2.10 -1.34 0.92 117.51 122.89 1wh9 h ILE 57 Ca 0.12 -1.30 0.02 0.00 1.08 0.00 0.00 64.86 64.77 1wh9 h ILE 57 Cb 0.25 1.35 -0.02 0.00 -1.09 0.00 0.00 36.82 37.31 1wh9 h ILE 57 CO -0.00 0.42 -0.08 0.03 -1.08 0.00 0.00 178.15 177.43 1wh9 h ARG 58 N 0.45 -0.11 0.28 2.19 3.08 -1.18 0.67 114.38 119.77 1wh9 h ARG 58 Ca 0.06 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1wh9 h ARG 58 Cb 0.70 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 1wh9 h ARG 58 CO 0.05 -0.07 -0.47 0.93 -1.07 0.00 0.00 179.97 179.34 1wh9 h GLU 59 N -0.11 -0.76 -0.62 0.04 4.39 -0.95 -2.67 114.58 113.89 1wh9 h GLU 59 Ca 0.05 0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.86 1wh9 h GLU 59 Cb 0.18 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 1wh9 h GLU 59 CO -0.12 -0.51 0.41 -0.07 -1.16 0.00 0.00 179.01 177.56 1wh9 h LEU 60 N -0.79 0.53 -0.29 1.33 3.38 -0.60 0.14 115.31 119.01 1wh9 h LEU 60 Ca -0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1wh9 h LEU 60 Cb 0.74 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1wh9 h LEU 60 CO -0.16 0.35 0.10 0.74 0.09 0.00 0.00 178.44 179.56 1wh9 h THR 61 N 0.60 0.93 -0.28 0.22 2.02 -0.73 0.25 112.91 115.92 1wh9 h THR 61 Ca 0.26 -0.08 -0.12 0.00 0.77 0.00 0.00 66.41 67.25 1wh9 h THR 61 Cb 0.27 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1wh9 h THR 61 CO -0.08 0.04 -0.28 0.00 0.37 0.00 0.00 175.52 175.57 1wh9 h ALA 62 N 1.18 0.41 -0.25 6.16 0.00 -0.46 0.02 119.26 126.33 1wh9 h ALA 62 Ca 0.13 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1wh9 h ALA 62 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1wh9 h ALA 62 CO -0.13 0.42 -0.02 -0.24 0.00 0.00 0.00 179.25 179.28 1wh9 h VAL 63 N 0.43 1.27 -0.60 0.00 3.04 -1.01 -2.03 116.25 117.34 1wh9 h VAL 63 Ca 0.05 -0.98 0.07 0.00 -1.01 0.00 0.00 66.70 64.83 1wh9 h VAL 63 Cb 0.85 1.41 -0.06 0.00 -2.01 0.00 0.00 31.29 31.48 1wh9 h VAL 63 CO 0.07 0.30 0.28 0.58 -1.01 0.00 0.00 177.57 177.80 1wh9 h VAL 64 N 0.21 0.88 -0.59 1.51 2.07 -0.93 0.78 116.25 120.18 1wh9 h VAL 64 Ca 0.07 -0.18 0.10 0.00 0.82 0.00 0.00 66.70 67.51 1wh9 h VAL 64 Cb 0.46 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 1wh9 h VAL 64 CO 0.02 0.09 0.16 1.56 0.02 0.00 0.00 177.57 179.43 1wh9 h GLN 65 N 0.52 0.30 0.03 1.57 4.20 -0.83 -0.98 115.11 119.93 1wh9 h GLN 65 Ca 0.28 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1wh9 h GLN 65 Cb 0.26 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1wh9 h GLN 65 CO -0.23 0.20 -0.01 0.87 -0.67 0.00 0.00 178.83 178.99 1wh9 h LYS 66 N 0.31 -0.04 -0.99 1.46 1.57 -0.52 -0.69 116.57 117.68 1wh9 h LYS 66 Ca 0.31 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1wh9 h LYS 66 Cb 0.43 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 1wh9 h LYS 66 CO -0.36 0.53 0.66 -0.09 -0.57 0.00 0.00 179.45 179.62 1wh9 h ARG 67 N -0.63 1.29 -0.19 3.15 1.12 -0.70 -2.93 114.38 115.49 1wh9 h ARG 67 Ca -0.00 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.79 1wh9 h ARG 67 Cb 0.58 -0.29 0.00 0.00 -0.01 0.00 0.00 29.97 30.25 1wh9 h ARG 67 CO 0.01 0.85 0.00 1.19 -3.11 0.00 0.00 179.97 178.91 1wh9 n PHE 68 N -4.39 0.23 -2.03 2.20 3.72 -0.39 -4.99 117.46 111.81 1wh9 n PHE 68 Ca 0.12 -0.19 -0.16 0.00 -0.05 0.00 0.00 57.45 57.17 1wh9 n PHE 68 Cb 0.03 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.83 0.33 3.77 1.37 0.00 -0.54 -4.97 105.19 105.98 1wh9 n GLY 69 Ca 0.11 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1wh9 n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wh9 s PHE 70 N -2.73 2.80 1.03 1.61 0.08 -0.38 -5.02 117.98 115.38 1wh9 s PHE 70 Ca 0.00 1.49 -0.12 0.00 0.12 0.00 0.00 56.93 58.43 1wh9 s PHE 70 Cb 0.00 -3.49 0.21 0.00 -0.57 0.00 0.00 43.02 39.16 1wh9 s PHE 70 CO 0.00 -1.79 1.08 -1.25 -0.10 0.00 0.00 175.22 173.16 1wh9 s PRO 71 N -2.61 0.17 0.24 0.24 0.04 -1.26 -4.81 135.00 127.01 1wh9 s PRO 71 Ca 0.63 1.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 1wh9 s PRO 71 Cb -0.32 -1.67 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 1wh9 s PRO 71 CO 0.39 -3.05 0.63 -2.00 0.04 0.00 0.00 177.00 173.02 1wh9 s GLU 72 N -4.64 3.97 0.00 4.56 2.12 -1.26 -3.99 118.70 119.46 1wh9 s GLU 72 Ca 0.67 0.54 0.00 0.00 0.36 0.00 0.00 54.97 56.53 1wh9 s GLU 72 Cb -0.22 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.48 1wh9 s GLU 72 CO 0.61 0.32 0.00 0.41 -0.54 0.00 0.00 175.26 176.05 1wh9 n GLY 73 N 0.14 1.17 0.00 -1.50 0.00 -1.26 -4.60 105.19 99.14 1wh9 n GLY 73 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 2.34 0.00 -4.00 1.61 7.64 -1.26 -4.31 113.62 115.63 1wh9 n SER 74 Ca 0.00 -1.14 -0.26 0.00 1.01 0.00 0.00 58.87 58.48 1wh9 n SER 74 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.03 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 -2.00 1.22 0.05 0.44 0.11 -1.26 -0.57 120.40 118.39 1wh9 s VAL 75 Ca 0.03 -0.48 0.05 0.00 -2.93 0.00 0.00 61.98 58.66 1wh9 s VAL 75 Cb 0.01 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1wh9 s VAL 75 CO 0.02 0.38 -0.10 -1.61 -3.33 0.00 0.00 175.10 170.47 1wh9 s GLU 76 N 1.03 2.31 -0.01 1.54 0.41 -0.43 -4.97 118.70 118.58 1wh9 s GLU 76 Ca -0.07 -0.88 0.08 0.00 -0.41 0.00 0.00 54.97 53.69 1wh9 s GLU 76 Cb -0.15 -2.37 -0.02 0.00 -1.78 0.00 0.00 34.13 29.81 1wh9 s GLU 76 CO -0.01 0.55 -0.25 -0.51 -0.49 0.00 0.00 175.26 174.55 1wh9 s LEU 77 N -1.73 2.07 0.21 1.80 1.02 -1.26 -1.68 118.68 119.10 1wh9 s LEU 77 Ca 0.18 -0.48 0.03 0.00 0.02 0.00 0.00 54.13 53.88 1wh9 s LEU 77 Cb -0.11 -1.29 -0.05 0.00 0.02 0.00 0.00 46.19 44.76 1wh9 s LEU 77 CO 0.10 0.30 0.00 -0.31 0.02 0.00 0.00 176.35 176.46 1wh9 s TYR 78 N -0.63 1.41 -0.19 0.29 2.02 0.21 -4.95 117.35 115.51 1wh9 s TYR 78 Ca 0.10 -0.98 -0.05 0.00 -0.37 0.00 0.00 57.07 55.78 1wh9 s TYR 78 Cb -0.10 -0.81 0.07 0.00 -0.40 0.00 0.00 41.96 40.73 1wh9 s TYR 78 CO -0.00 -0.13 0.13 0.00 -1.57 0.00 0.00 175.55 173.98 1wh9 s ALA 79 N -3.54 0.22 0.18 3.71 0.00 -1.26 -1.79 121.76 119.29 1wh9 s ALA 79 Ca 0.27 -0.20 0.08 0.00 0.00 0.00 0.00 51.96 52.10 1wh9 s ALA 79 Cb 0.06 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 1wh9 s ALA 79 CO 0.07 -1.23 -0.01 -2.00 0.00 0.00 0.00 175.76 172.59 1wh9 s GLU 80 N 2.19 2.36 -0.03 0.00 2.56 0.40 -4.92 118.70 121.27 1wh9 s GLU 80 Ca 0.04 -1.15 -0.11 0.00 0.00 0.00 0.00 54.97 53.75 1wh9 s GLU 80 Cb -0.16 -2.32 -0.05 0.00 2.00 0.00 0.00 34.13 33.60 1wh9 s GLU 80 CO -0.12 0.45 0.31 0.21 -0.56 0.00 0.00 175.26 175.54 1wh9 s LYS 81 N -2.99 3.71 0.66 4.30 2.20 -1.26 -2.12 119.74 124.25 1wh9 s LYS 81 Ca 0.27 0.16 -0.15 0.00 -0.36 0.00 0.00 55.97 55.89 1wh9 s LYS 81 Cb -0.09 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1wh9 s LYS 81 CO 0.18 0.70 1.13 0.08 -0.36 0.00 0.00 175.35 177.08 1wh9 s VAL 82 N -1.12 3.07 -1.50 4.02 1.01 -0.42 -3.90 120.40 121.55 1wh9 s VAL 82 Ca 0.22 0.51 -0.13 0.00 0.00 0.00 0.00 61.98 62.59 1wh9 s VAL 82 Cb -0.15 -3.05 0.09 0.00 0.00 0.00 0.00 36.38 33.27 1wh9 s VAL 82 CO 0.11 -0.29 0.84 0.00 0.00 0.00 0.00 175.10 175.76 1wh9 n ALA 83 N -2.38 -1.21 -1.84 5.51 0.00 -1.26 -4.90 120.51 114.43 1wh9 n ALA 83 Ca 0.11 0.16 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 1wh9 n ALA 83 Cb 0.52 -4.01 -0.02 0.00 0.00 0.00 0.00 19.45 15.93 1wh9 n ALA 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wh9 s THR 84 N -3.21 2.56 0.00 0.00 2.01 -1.25 -4.92 115.64 110.83 1wh9 s THR 84 Ca 0.60 0.49 0.01 0.00 0.31 0.00 0.00 61.69 63.10 1wh9 s THR 84 Cb -0.30 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 68.91 1wh9 s THR 84 CO 0.73 0.09 1.01 -2.11 -0.69 0.00 0.00 174.62 173.65 1wh9 n ARG 85 N 1.84 0.00 0.00 4.92 1.85 -1.26 -5.13 116.66 118.88 1wh9 n ARG 85 Ca 0.05 -1.05 0.00 0.00 -1.00 0.00 0.00 57.85 55.85 1wh9 n ARG 85 Cb 0.40 0.48 0.00 0.00 -1.05 0.00 0.00 32.46 32.29 1wh9 n ARG 85 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wh9 n GLY 86 N 0.02 0.99 3.77 2.89 0.00 -1.26 -5.01 105.19 106.60 1wh9 n GLY 86 Ca -0.26 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 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 0.77 -5.42 -4.16 1.61 7.64 -1.26 -4.95 113.62 107.84 1wh9 n SER 87 Ca 0.00 -0.67 -0.39 0.00 1.01 0.00 0.00 58.87 58.82 1wh9 n SER 87 Cb 0.00 -4.30 -0.06 0.00 -1.01 0.00 0.00 64.21 58.83 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 -3.27 2.84 -0.62 0.23 0.00 -1.26 -5.03 107.32 100.20 1wh9 s GLY 88 Ca 0.63 -3.57 -0.26 0.00 0.00 0.00 0.00 44.72 41.51 1wh9 s GLY 88 CO 0.77 1.19 2.14 2.56 0.00 0.00 0.00 173.10 179.76 1wh9 s PRO 89 N -0.69 2.30 -0.09 2.90 0.04 -1.26 -4.91 135.00 133.29 1wh9 s PRO 89 Ca 0.23 0.78 -0.01 0.00 0.04 0.00 0.00 61.00 62.04 1wh9 s PRO 89 Cb -0.12 -4.59 0.03 0.00 0.04 0.00 0.00 34.50 29.85 1wh9 s PRO 89 CO -0.08 -3.22 -0.04 -1.54 0.04 0.00 0.00 177.00 172.17 1wh9 s SER 90 N 9.94 1.87 -0.30 6.66 1.04 -1.26 -5.09 113.70 126.56 1wh9 s SER 90 Ca 0.82 -0.19 -0.02 0.00 0.48 0.00 0.00 55.95 57.04 1wh9 s SER 90 Cb -0.14 -0.63 0.12 0.00 0.10 0.00 0.00 66.02 65.47 1wh9 s SER 90 CO 0.19 -0.16 0.21 -0.44 0.98 0.00 0.00 173.24 174.02 1wh9 s SER 91 N 1.85 2.65 0.00 7.02 0.01 -1.26 -5.29 113.70 118.68 1wh9 s SER 91 Ca 0.05 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.13 1wh9 s SER 91 Cb -0.12 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.13 1wh9 s SER 91 CO -0.07 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.79