#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh9 h SER 2 N 0.00 0.00 -6.99 1.61 0.87 -2.00 -3.45 113.55 103.59 1wh9 h SER 2 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 1wh9 h SER 2 Cb 0.00 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.86 1wh9 h SER 2 CO 0.00 0.12 -0.93 -1.20 -0.53 0.00 0.00 176.83 174.28 1wh9 n SER 3 N -4.15 -1.79 -2.77 6.23 7.64 -1.26 -4.88 113.62 112.64 1wh9 n SER 3 Ca -0.02 -1.22 -0.11 0.00 1.01 0.00 0.00 58.87 58.53 1wh9 n SER 3 Cb 0.20 -1.48 0.08 0.00 -1.01 0.00 0.00 64.21 62.00 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 -2.23 -1.75 2.04 0.23 0.00 -1.26 -4.10 105.19 98.12 1wh9 n GLY 4 Ca -0.19 -1.60 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.45 -1.37 -4.48 1.61 7.64 -1.26 -4.90 113.62 107.41 1wh9 n SER 5 Ca 0.06 0.71 -0.51 0.00 1.01 0.00 0.00 58.87 60.14 1wh9 n SER 5 Cb 0.21 -3.20 -0.04 0.00 -1.01 0.00 0.00 64.21 60.17 1wh9 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wh9 n SER 6 N 0.88 -0.23 0.00 6.43 2.88 -1.26 -4.69 113.62 117.63 1wh9 n SER 6 Ca -0.21 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1wh9 n SER 6 Cb 0.32 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1wh9 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh9 n GLY 7 N 1.81 -1.45 0.24 0.46 0.00 -1.26 -4.99 105.19 99.99 1wh9 n GLY 7 Ca 0.17 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.53 -0.82 1.61 3.57 -2.00 -2.90 116.94 115.87 1wh9 h PHE 8 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1wh9 h PHE 8 Cb 0.00 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1wh9 h PHE 8 CO 0.00 -0.29 0.54 -0.22 -2.23 0.00 0.00 178.31 176.11 1wh9 h LYS 9 N -0.34 1.07 0.45 1.11 3.64 -1.90 -0.56 116.57 120.03 1wh9 h LYS 9 Ca 0.05 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1wh9 h LYS 9 Cb 0.40 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1wh9 h LYS 9 CO -0.16 0.71 -0.21 0.00 -2.27 0.00 0.00 179.45 177.51 1wh9 h ALA 10 N 1.49 -0.60 -0.77 5.00 0.00 -1.69 -0.33 119.26 122.36 1wh9 h ALA 10 Ca 0.30 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1wh9 h ALA 10 Cb -0.12 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1wh9 h ALA 10 CO -0.07 -0.77 0.45 0.93 0.00 0.00 0.00 179.25 179.79 1wh9 h GLU 11 N -0.73 0.78 -0.24 0.00 4.39 -1.18 0.05 114.58 117.65 1wh9 h GLU 11 Ca -0.06 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.41 1wh9 h GLU 11 Cb 0.52 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1wh9 h GLU 11 CO 0.10 0.52 -0.56 1.25 -1.16 0.00 0.00 179.01 179.16 1wh9 h LEU 12 N 0.81 0.84 0.15 1.33 5.85 -1.10 -0.86 115.31 122.33 1wh9 h LEU 12 Ca 0.35 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1wh9 h LEU 12 Cb 0.22 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1wh9 h LEU 12 CO -0.20 1.22 -0.08 -1.13 -0.34 0.00 0.00 178.44 177.92 1wh9 h ASN 13 N 0.58 -0.18 -0.78 1.25 -1.24 -0.56 -1.40 115.58 113.25 1wh9 h ASN 13 Ca 0.01 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1wh9 h ASN 13 Cb 1.15 0.05 -0.04 0.00 0.73 0.00 0.00 38.32 40.21 1wh9 h ASN 13 CO 0.12 -0.13 0.50 -0.33 -1.29 0.00 0.00 177.43 176.30 1wh9 h GLU 14 N -0.21 1.03 0.64 6.67 4.39 -0.94 0.80 114.58 126.96 1wh9 h GLU 14 Ca -0.02 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1wh9 h GLU 14 Cb 0.16 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1wh9 h GLU 14 CO 0.03 0.69 -0.31 0.35 -1.16 0.00 0.00 179.01 178.62 1wh9 h PHE 15 N 1.06 -0.79 -0.03 4.33 3.57 -0.98 -3.22 116.94 120.88 1wh9 h PHE 15 Ca 0.28 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1wh9 h PHE 15 Cb -0.10 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1wh9 h PHE 15 CO 0.00 -0.46 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.36 1wh9 h LEU 16 N -0.96 0.04 -0.99 0.59 3.38 -0.92 -2.59 115.31 113.85 1wh9 h LEU 16 Ca -0.09 -0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.09 1wh9 h LEU 16 Cb 0.69 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.31 1wh9 h LEU 16 CO 0.14 0.23 0.59 0.74 0.09 0.00 0.00 178.44 180.23 1wh9 h THR 17 N 0.04 0.61 0.05 0.22 2.02 -0.86 -1.51 112.91 113.48 1wh9 h THR 17 Ca 0.01 -0.22 -0.31 0.00 0.77 0.00 0.00 66.41 66.66 1wh9 h THR 17 Cb 0.36 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 1wh9 h THR 17 CO 0.03 0.12 -1.68 0.54 0.37 0.00 0.00 175.52 174.89 1wh9 n ARG 18 N -4.85 0.64 0.05 6.66 1.74 -1.00 -3.01 116.66 116.88 1wh9 n ARG 18 Ca 0.25 0.42 0.17 0.00 -0.77 0.00 0.00 57.85 57.92 1wh9 n ARG 18 Cb 0.66 -1.71 0.66 0.00 -1.02 0.00 0.00 32.46 31.06 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 -0.56 0.04 0.00 5.56 4.39 -1.25 -2.55 114.58 120.21 1wh9 h GLU 19 Ca -0.41 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.27 1wh9 h GLU 19 Cb 1.63 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.24 1wh9 h GLU 19 CO -0.11 0.03 -0.26 1.28 -1.16 0.00 0.00 179.01 178.78 1wh9 n LEU 20 N -4.42 1.83 0.17 1.33 4.77 -0.59 -4.86 117.00 115.23 1wh9 n LEU 20 Ca 0.07 -2.73 -0.12 0.00 -0.03 0.00 0.00 56.01 53.21 1wh9 n LEU 20 Cb 0.47 -0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1wh9 n LEU 20 CO 0.36 0.72 0.51 0.00 -1.33 0.00 0.00 177.39 177.66 1wh9 h ALA 21 N 0.25 -0.98 0.00 -1.18 0.00 -1.36 -1.67 119.26 114.31 1wh9 h ALA 21 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wh9 h ALA 21 Cb 1.14 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1wh9 h ALA 21 CO 0.01 -1.02 0.00 0.93 0.00 0.00 0.00 179.25 179.17 1wh9 h GLU 22 N -0.63 0.00 -0.22 0.00 4.39 -1.89 -3.10 114.58 113.12 1wh9 h GLU 22 Ca -0.03 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.53 1wh9 h GLU 22 Cb 0.56 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1wh9 h GLU 22 CO -0.07 0.00 -0.44 -0.44 -1.16 0.00 0.00 179.01 176.90 1wh9 h ASP 23 N 0.00 0.57 0.00 1.42 5.19 -1.77 -3.47 116.42 118.36 1wh9 h ASP 23 Ca 0.00 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1wh9 h ASP 23 Cb 0.54 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1wh9 h ASP 23 CO 0.00 0.93 0.00 0.61 -3.12 0.00 0.00 179.24 177.66 1wh9 n GLY 24 N 0.03 1.73 3.52 2.75 0.00 -0.83 -4.53 105.19 107.86 1wh9 n GLY 24 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.22 0.00 1.61 9.36 -0.69 -1.94 117.16 125.28 1wh9 n TYR 25 Ca 0.00 0.37 0.00 0.00 3.32 0.00 0.00 57.90 61.59 1wh9 n TYR 25 Cb 0.00 -1.98 0.00 0.00 -0.63 0.00 0.00 39.34 36.73 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 -0.88 0.00 0.00 2.98 7.64 -0.66 -4.83 113.62 117.87 1wh9 n SER 26 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1wh9 n SER 26 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.71 -1.28 3.15 0.23 0.00 -0.61 0.23 105.19 107.62 1wh9 n GLY 27 Ca 0.00 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 0.07 0.18 1.61 0.11 -1.26 -0.30 120.40 117.81 1wh9 s VAL 28 Ca 0.00 -0.60 0.06 0.00 -2.93 0.00 0.00 61.98 58.51 1wh9 s VAL 28 Cb 0.00 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 1wh9 s VAL 28 CO 0.00 -0.33 -0.13 -1.61 -3.33 0.00 0.00 175.10 169.70 1wh9 s GLU 29 N -1.34 1.20 -0.05 1.54 2.02 -0.01 -4.94 118.70 117.13 1wh9 s GLU 29 Ca -0.14 -1.51 -0.02 0.00 0.02 0.00 0.00 54.97 53.32 1wh9 s GLU 29 Cb -0.07 -0.91 0.04 0.00 0.10 0.00 0.00 34.13 33.29 1wh9 s GLU 29 CO 0.02 0.14 0.10 0.54 0.02 0.00 0.00 175.26 176.09 1wh9 s VAL 30 N -3.07 -0.09 0.24 2.63 0.11 -1.26 -1.21 120.40 117.76 1wh9 s VAL 30 Ca 0.19 0.24 0.07 0.00 -2.93 0.00 0.00 61.98 59.56 1wh9 s VAL 30 Cb 0.00 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.61 1wh9 s VAL 30 CO 0.04 0.10 -0.11 -0.13 -3.33 0.00 0.00 175.10 171.67 1wh9 s ARG 31 N 1.38 1.43 -0.10 1.54 0.52 -0.36 -5.02 118.95 118.35 1wh9 s ARG 31 Ca -0.06 -1.67 -0.03 0.00 -0.52 0.00 0.00 55.73 53.44 1wh9 s ARG 31 Cb -0.12 -1.15 0.04 0.00 0.52 0.00 0.00 34.95 34.24 1wh9 s ARG 31 CO -0.05 0.13 0.08 0.54 0.02 0.00 0.00 175.30 176.03 1wh9 s VAL 32 N -2.98 -0.12 0.62 3.52 0.11 -1.26 -1.06 120.40 119.23 1wh9 s VAL 32 Ca 0.26 0.19 -0.00 0.00 -2.93 0.00 0.00 61.98 59.49 1wh9 s VAL 32 Cb 0.01 -0.34 0.07 0.00 -1.53 0.00 0.00 36.38 34.59 1wh9 s VAL 32 CO 0.09 -0.01 0.86 0.42 -3.33 0.00 0.00 175.10 173.14 1wh9 s THR 33 N 2.17 2.46 -0.93 5.04 -4.23 -0.03 -4.96 115.64 115.15 1wh9 s THR 33 Ca 0.04 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1wh9 s THR 33 Cb -0.14 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.85 1wh9 s THR 33 CO -0.06 0.00 0.29 -0.81 -0.54 0.00 0.00 174.62 173.50 1wh9 n PRO 34 N -2.55 0.55 0.00 3.99 -0.04 -1.26 -3.40 135.00 132.29 1wh9 n PRO 34 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1wh9 n PRO 34 Cb 0.60 -1.27 0.00 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 0.26 0.00 -3.83 0.52 -2.24 -1.26 -5.15 114.28 102.58 1wh9 n THR 35 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1wh9 n THR 35 Cb 0.15 -0.69 -0.01 0.00 -2.10 0.00 0.00 70.33 67.68 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 -1.80 1.72 0.69 -0.78 1.70 -1.22 -4.88 118.95 114.39 1wh9 s ARG 36 Ca 0.00 -1.01 -0.13 0.00 -0.47 0.00 0.00 55.73 54.12 1wh9 s ARG 36 Cb 0.00 0.55 0.01 0.00 -0.57 0.00 0.00 34.95 34.94 1wh9 s ARG 36 CO 0.00 -0.80 1.09 0.99 -1.08 0.00 0.00 175.30 175.50 1wh9 s THR 37 N -3.27 3.51 -0.05 4.99 2.01 -0.71 -0.85 115.64 121.27 1wh9 s THR 37 Ca 0.13 0.60 0.01 0.00 0.31 0.00 0.00 61.69 62.74 1wh9 s THR 37 Cb -0.05 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.34 1wh9 s THR 37 CO 0.07 -0.54 -0.05 -1.61 -0.69 0.00 0.00 174.62 171.80 1wh9 s GLU 38 N -4.52 0.91 -0.16 4.92 2.02 -0.22 -3.07 118.70 118.58 1wh9 s GLU 38 Ca 0.63 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.50 1wh9 s GLU 38 Cb -0.17 -0.93 0.00 0.00 0.10 0.00 0.00 34.13 33.13 1wh9 s GLU 38 CO 0.48 -0.10 -0.16 0.42 0.02 0.00 0.00 175.26 175.92 1wh9 s ILE 39 N 1.02 2.55 -0.30 -1.63 1.01 -0.44 -1.22 121.20 122.18 1wh9 s ILE 39 Ca -0.09 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1wh9 s ILE 39 Cb -0.14 -2.08 0.08 0.00 0.01 0.00 0.00 42.46 40.34 1wh9 s ILE 39 CO -0.00 0.52 0.00 -0.63 0.00 0.00 0.00 174.94 174.82 1wh9 s ILE 40 N 0.94 1.90 0.15 2.92 1.09 -0.35 -0.38 121.20 127.47 1wh9 s ILE 40 Ca -0.03 -1.82 -0.30 0.00 -1.10 0.00 0.00 60.65 57.40 1wh9 s ILE 40 Cb -0.15 -2.26 -0.08 0.00 -1.06 0.00 0.00 42.46 38.91 1wh9 s ILE 40 CO -0.03 -0.38 1.23 -0.63 -0.10 0.00 0.00 174.94 175.04 1wh9 s ILE 41 N 1.15 3.60 -0.30 2.92 1.09 -1.02 -0.83 121.20 127.81 1wh9 s ILE 41 Ca 0.03 1.27 -0.10 0.00 -1.10 0.00 0.00 60.65 60.74 1wh9 s ILE 41 Cb -0.19 -3.81 -0.02 0.00 -1.06 0.00 0.00 42.46 37.38 1wh9 s ILE 41 CO -0.09 0.17 0.17 -0.76 -0.10 0.00 0.00 174.94 174.32 1wh9 s LEU 42 N 0.21 4.10 0.19 2.97 1.43 0.60 -0.91 118.68 127.26 1wh9 s LEU 42 Ca 0.56 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 53.23 1wh9 s LEU 42 Cb -0.33 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 1wh9 s LEU 42 CO 0.34 -0.15 0.29 0.00 0.23 0.00 0.00 176.35 177.06 1wh9 s ALA 43 N 1.67 0.25 0.25 4.21 0.00 -1.00 -1.57 121.76 125.57 1wh9 s ALA 43 Ca 0.06 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 50.99 1wh9 s ALA 43 Cb -0.17 1.03 0.29 0.00 0.00 0.00 0.00 23.12 24.27 1wh9 s ALA 43 CO 0.08 -0.68 1.58 1.79 0.00 0.00 0.00 175.76 178.53 1wh9 h THR 44 N 2.51 1.42 -2.67 0.00 1.35 -1.69 -0.38 112.91 113.45 1wh9 h THR 44 Ca -0.31 -2.06 -0.60 0.00 -0.55 0.00 0.00 66.41 62.88 1wh9 h THR 44 Cb 1.24 2.08 -0.40 0.00 -1.73 0.00 0.00 68.15 69.34 1wh9 h THR 44 CO 0.47 0.60 -0.82 -0.13 -0.25 0.00 0.00 175.52 175.39 1wh9 s ARG 45 N -3.67 1.45 0.24 4.72 0.52 -1.26 -4.61 118.95 116.34 1wh9 s ARG 45 Ca -0.03 -2.49 -0.04 0.00 -0.52 0.00 0.00 55.73 52.65 1wh9 s ARG 45 Cb 0.12 -2.17 0.45 0.00 0.52 0.00 0.00 34.95 33.87 1wh9 s ARG 45 CO 0.78 -1.33 1.75 1.79 0.02 0.00 0.00 175.30 178.32 1wh9 h THR 46 N 4.62 0.73 -0.36 0.02 1.35 -1.86 -0.02 112.91 117.39 1wh9 h THR 46 Ca 0.20 -0.19 0.10 0.00 -0.55 0.00 0.00 66.41 65.97 1wh9 h THR 46 Cb 0.86 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 1wh9 h THR 46 CO 0.49 0.10 0.26 -0.61 -0.25 0.00 0.00 175.52 175.51 1wh9 h GLN 47 N 0.54 0.01 0.11 4.72 4.15 -1.96 0.03 115.11 122.71 1wh9 h GLN 47 Ca 0.41 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.82 1wh9 h GLN 47 Cb 0.56 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1wh9 h GLN 47 CO -0.35 0.01 -0.05 -0.97 -1.93 0.00 0.00 178.83 175.53 1wh9 h ASN 48 N 0.01 -0.13 -0.43 -0.69 -0.73 -1.36 -3.24 115.58 109.02 1wh9 h ASN 48 Ca 0.17 -0.39 0.01 0.00 1.87 0.00 0.00 56.30 57.96 1wh9 h ASN 48 Cb 0.67 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.28 1wh9 h ASN 48 CO -0.00 0.36 0.28 0.58 -0.37 0.00 0.00 177.43 178.28 1wh9 h VAL 49 N -0.66 1.11 -0.23 2.57 2.07 -0.81 -1.72 116.25 118.57 1wh9 h VAL 49 Ca -0.02 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 1wh9 h VAL 49 Cb 0.51 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1wh9 h VAL 49 CO 0.02 0.10 -0.36 -0.07 0.02 0.00 0.00 177.57 177.29 1wh9 h LEU 50 N 0.57 0.53 0.00 2.57 3.38 -1.15 -3.29 115.31 117.93 1wh9 h LEU 50 Ca 0.16 -0.22 0.19 0.00 0.09 0.00 0.00 57.88 58.10 1wh9 h LEU 50 Cb -0.06 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1wh9 h LEU 50 CO -0.03 0.85 -0.26 0.61 0.09 0.00 0.00 178.44 179.70 1wh9 n GLY 51 N -0.13 -2.04 3.50 0.83 0.00 -0.65 -1.13 105.19 105.57 1wh9 n GLY 51 Ca -0.01 -1.33 -0.47 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.59 1.35 -4.17 1.61 2.13 -1.26 -1.67 120.64 116.04 1wh9 n GLU 52 Ca 0.00 0.35 -0.33 0.00 0.66 0.00 0.00 57.16 57.84 1wh9 n GLU 52 Cb 0.32 -2.74 -0.03 0.00 0.27 0.00 0.00 31.44 29.26 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 8.43 -3.01 -0.68 5.31 4.76 -1.26 -1.05 118.16 130.66 1wh9 n LYS 53 Ca 0.38 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 1wh9 n LYS 53 Cb 0.31 -4.85 0.00 0.00 -1.84 0.00 0.00 35.03 28.65 1wh9 n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wh9 n GLY 54 N -1.62 0.65 0.22 0.72 0.00 -0.67 -4.99 105.19 99.50 1wh9 n GLY 54 Ca -0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 1.67 -0.03 -0.14 1.61 2.47 -0.28 -1.95 114.38 117.74 1wh9 h ARG 55 Ca 0.00 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 1wh9 h ARG 55 Cb 0.00 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1wh9 h ARG 55 CO 0.00 -0.02 -0.06 0.00 0.56 0.00 0.00 179.97 180.44 1wh9 h ARG 56 N -0.03 0.29 -0.84 0.04 -0.00 -1.35 -1.39 114.38 111.11 1wh9 h ARG 56 Ca 0.08 -0.13 0.02 0.00 -0.50 0.00 0.00 59.98 59.45 1wh9 h ARG 56 Cb 0.23 -0.01 -0.05 0.00 0.00 0.00 0.00 29.97 30.14 1wh9 h ARG 56 CO -0.46 0.62 0.55 0.97 0.00 0.00 0.00 179.97 181.64 1wh9 h ILE 57 N -0.04 1.17 -0.28 2.04 2.10 -1.33 0.23 117.51 121.41 1wh9 h ILE 57 Ca 0.03 -0.37 -0.05 0.00 1.08 0.00 0.00 64.86 65.56 1wh9 h ILE 57 Cb 0.53 -0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 36.24 1wh9 h ILE 57 CO 0.02 0.20 -0.00 -0.09 -1.08 0.00 0.00 178.15 177.19 1wh9 h ARG 58 N 1.08 0.49 0.34 2.19 2.43 -1.34 -0.81 114.38 118.77 1wh9 h ARG 58 Ca 0.32 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1wh9 h ARG 58 Cb -0.05 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1wh9 h ARG 58 CO -0.09 0.65 -0.27 0.93 -1.51 0.00 0.00 179.97 179.67 1wh9 h GLU 59 N 0.27 -0.60 -0.40 0.20 5.08 -0.61 -2.64 114.58 115.88 1wh9 h GLU 59 Ca 0.08 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1wh9 h GLU 59 Cb 0.43 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1wh9 h GLU 59 CO 0.02 -0.40 0.27 -0.07 -1.00 0.00 0.00 179.01 177.82 1wh9 h LEU 60 N -0.62 0.35 -0.21 1.33 3.38 -0.56 -0.58 115.31 118.40 1wh9 h LEU 60 Ca -0.03 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1wh9 h LEU 60 Cb 0.54 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1wh9 h LEU 60 CO -0.01 0.24 -0.08 0.74 0.09 0.00 0.00 178.44 179.41 1wh9 h THR 61 N 0.40 0.72 -0.69 0.22 2.02 -0.79 0.76 112.91 115.55 1wh9 h THR 61 Ca 0.17 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.28 1wh9 h THR 61 Cb 0.16 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1wh9 h THR 61 CO -0.04 0.00 0.19 0.00 0.37 0.00 0.00 175.52 176.04 1wh9 h ALA 62 N 1.14 0.90 0.38 6.16 0.00 -0.91 0.16 119.26 127.10 1wh9 h ALA 62 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1wh9 h ALA 62 Cb 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1wh9 h ALA 62 CO -0.24 0.61 -0.25 0.28 0.00 0.00 0.00 179.25 179.65 1wh9 h VAL 63 N 1.02 0.49 -0.88 0.00 2.07 -0.82 -2.62 116.25 115.50 1wh9 h VAL 63 Ca 0.22 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.76 1wh9 h VAL 63 Cb 0.34 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1wh9 h VAL 63 CO -0.00 0.00 0.58 0.58 0.02 0.00 0.00 177.57 178.74 1wh9 h VAL 64 N -0.61 1.17 0.00 2.57 2.07 -0.71 0.17 116.25 120.92 1wh9 h VAL 64 Ca -0.04 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1wh9 h VAL 64 Cb 0.51 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1wh9 h VAL 64 CO 0.03 0.21 -0.02 1.56 0.02 0.00 0.00 177.57 179.38 1wh9 h GLN 65 N 1.14 0.00 0.00 1.57 4.20 -0.50 1.00 115.11 122.52 1wh9 h GLN 65 Ca 0.34 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.75 1wh9 h GLN 65 Cb -0.04 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 1wh9 h GLN 65 CO -0.10 0.02 -1.69 1.63 -0.67 0.00 0.00 178.83 178.01 1wh9 n LYS 66 N -3.38 0.57 -0.18 1.46 5.02 -0.68 -2.37 118.16 118.60 1wh9 n LYS 66 Ca -0.03 0.45 -0.01 0.00 -2.02 0.00 0.00 58.31 56.71 1wh9 n LYS 66 Cb 0.11 -1.64 0.08 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.00 0.15 -0.37 1.97 1.12 -0.39 -1.85 114.38 114.01 1wh9 h ARG 67 Ca -0.45 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.41 1wh9 h ARG 67 Cb 1.37 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.30 1wh9 h ARG 67 CO -0.28 0.10 0.00 1.19 -3.11 0.00 0.00 179.97 177.88 1wh9 n PHE 68 N -5.21 0.49 -1.78 2.20 3.01 0.32 -4.99 117.46 111.49 1wh9 n PHE 68 Ca 0.07 -0.40 -0.17 0.00 1.01 0.00 0.00 57.45 57.97 1wh9 n PHE 68 Cb 0.31 -0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.71 1wh9 n PHE 68 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wh9 n GLY 69 N 0.84 0.94 3.67 1.37 0.00 -0.70 -4.90 105.19 106.41 1wh9 n GLY 69 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.61 1.47 -1.70 1.61 3.72 -1.00 -4.92 117.46 114.04 1wh9 n PHE 70 Ca -0.18 0.45 -0.44 0.00 -0.05 0.00 0.00 57.45 57.24 1wh9 n PHE 70 Cb 0.58 -2.24 -0.03 0.00 -0.94 0.00 0.00 39.48 36.85 1wh9 n PHE 70 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1wh9 n PRO 71 N -0.85 2.56 -1.48 -1.08 -0.04 -1.26 -4.87 135.00 127.98 1wh9 n PRO 71 Ca 0.12 0.92 -0.35 0.00 -0.04 0.00 0.00 63.50 64.15 1wh9 n PRO 71 Cb 0.45 -2.75 0.09 0.00 -0.04 0.00 0.00 33.50 31.25 1wh9 n PRO 71 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1wh9 s GLU 72 N 1.44 2.19 0.00 0.54 1.03 -1.26 -2.62 118.70 120.01 1wh9 s GLU 72 Ca 0.78 1.84 0.00 0.00 0.03 0.00 0.00 54.97 57.62 1wh9 s GLU 72 Cb -0.56 -1.83 0.00 0.00 -0.80 0.00 0.00 34.13 30.94 1wh9 s GLU 72 CO 0.36 -1.82 0.00 0.41 -1.33 0.00 0.00 175.26 172.88 1wh9 n GLY 73 N 0.55 0.65 1.19 -3.83 0.00 -1.26 -4.74 105.19 97.75 1wh9 n GLY 73 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 1.31 3.40 -4.17 1.61 7.64 -1.08 -4.77 113.62 117.57 1wh9 n SER 74 Ca 0.00 -2.43 -0.25 0.00 1.01 0.00 0.00 58.87 57.20 1wh9 n SER 74 Cb 0.00 -0.55 -0.15 0.00 -1.01 0.00 0.00 64.21 62.50 1wh9 n SER 74 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wh9 s VAL 75 N -1.89 1.39 0.08 0.44 0.11 -1.22 -1.73 120.40 117.58 1wh9 s VAL 75 Ca 0.30 -0.75 0.06 0.00 -2.93 0.00 0.00 61.98 58.66 1wh9 s VAL 75 Cb 0.22 -1.16 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1wh9 s VAL 75 CO 0.11 0.39 -0.15 -1.61 -3.33 0.00 0.00 175.10 170.51 1wh9 s GLU 76 N -0.40 0.90 -0.13 1.54 0.41 -1.17 -4.98 118.70 114.86 1wh9 s GLU 76 Ca 0.07 -1.03 0.03 0.00 -0.41 0.00 0.00 54.97 53.62 1wh9 s GLU 76 Cb -0.07 -0.93 0.01 0.00 -1.78 0.00 0.00 34.13 31.36 1wh9 s GLU 76 CO -0.01 0.21 -0.22 -0.51 -0.49 0.00 0.00 175.26 174.24 1wh9 s LEU 77 N -1.87 2.09 0.43 1.80 1.02 -1.26 -1.33 118.68 119.56 1wh9 s LEU 77 Ca 0.01 -0.58 0.04 0.00 0.02 0.00 0.00 54.13 53.62 1wh9 s LEU 77 Cb -0.09 -1.42 -0.05 0.00 0.02 0.00 0.00 46.19 44.65 1wh9 s LEU 77 CO 0.03 0.10 0.03 -0.31 0.02 0.00 0.00 176.35 176.22 1wh9 s TYR 78 N 0.67 2.14 -0.18 0.29 2.02 0.49 -4.98 117.35 117.79 1wh9 s TYR 78 Ca -0.11 -0.88 -0.05 0.00 -0.37 0.00 0.00 57.07 55.67 1wh9 s TYR 78 Cb -0.16 -1.58 0.07 0.00 -0.40 0.00 0.00 41.96 39.89 1wh9 s TYR 78 CO 0.02 0.23 0.12 0.00 -1.57 0.00 0.00 175.55 174.35 1wh9 s ALA 79 N -2.91 0.25 -0.06 3.71 0.00 -1.26 -2.44 121.76 119.05 1wh9 s ALA 79 Ca 0.25 -0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.00 1wh9 s ALA 79 Cb 0.06 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1wh9 s ALA 79 CO 0.12 -1.19 0.07 -2.00 0.00 0.00 0.00 175.76 172.76 1wh9 s GLU 80 N 2.19 3.14 0.47 0.00 2.56 -0.09 -4.96 118.70 122.00 1wh9 s GLU 80 Ca 0.03 -0.37 -0.21 0.00 0.00 0.00 0.00 54.97 54.43 1wh9 s GLU 80 Cb -0.16 -2.92 -0.09 0.00 2.00 0.00 0.00 34.13 32.96 1wh9 s GLU 80 CO -0.10 0.70 1.01 0.21 -0.56 0.00 0.00 175.26 176.52 1wh9 s LYS 81 N -1.28 3.94 0.00 4.30 2.20 -1.26 -2.39 119.74 125.26 1wh9 s LYS 81 Ca 0.18 1.30 0.16 0.00 -0.36 0.00 0.00 55.97 57.25 1wh9 s LYS 81 Cb -0.12 -2.14 0.66 0.00 -1.51 0.00 0.00 37.83 34.72 1wh9 s LYS 81 CO 0.08 -0.31 1.50 0.28 -0.36 0.00 0.00 175.35 176.54 1wh9 n VAL 82 N -0.82 0.94 -0.53 4.02 0.31 -0.15 -4.81 118.33 117.29 1wh9 n VAL 82 Ca 0.08 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 1wh9 n VAL 82 Cb 0.53 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 1wh9 n VAL 82 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wh9 n ALA 83 N -1.50 0.00 -2.51 3.52 0.00 -1.26 -3.81 120.51 114.95 1wh9 n ALA 83 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 1wh9 n ALA 83 Cb 0.18 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.65 1wh9 n ALA 83 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wh9 n THR 84 N 0.00 1.77 -1.21 0.00 -1.04 -1.26 -5.08 114.28 107.47 1wh9 n THR 84 Ca 0.00 -3.84 -0.35 0.00 -2.04 0.00 0.00 64.05 57.82 1wh9 n THR 84 Cb 0.00 -0.16 0.10 0.00 -1.82 0.00 0.00 70.33 68.45 1wh9 n THR 84 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1wh9 n ARG 85 N -0.42 0.29 0.00 -2.82 -4.01 -1.25 -4.76 116.66 103.69 1wh9 n ARG 85 Ca 0.25 0.16 0.00 0.00 -1.04 0.00 0.00 57.85 57.21 1wh9 n ARG 85 Cb 0.80 -2.14 0.00 0.00 -3.04 0.00 0.00 32.46 28.08 1wh9 n ARG 85 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1wh9 n GLY 86 N 1.14 0.76 1.28 2.89 0.00 -1.26 -5.07 105.19 104.93 1wh9 n GLY 86 Ca 0.12 -0.65 0.16 0.00 0.00 0.00 0.00 46.02 45.65 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 -7.41 0.00 1.61 7.64 -1.26 -5.11 113.62 109.09 1wh9 n SER 87 Ca 0.00 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.59 1wh9 n SER 87 Cb 0.00 -4.06 0.00 0.00 -1.01 0.00 0.00 64.21 59.14 1wh9 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh9 n GLY 88 N -3.85 1.09 3.77 0.23 0.00 -1.26 -5.08 105.19 100.09 1wh9 n GLY 88 Ca -0.01 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 1wh9 n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh9 s PRO 89 N -1.05 4.30 0.51 1.61 0.04 -1.26 -4.88 135.00 134.27 1wh9 s PRO 89 Ca 0.00 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1wh9 s PRO 89 Cb 0.00 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1wh9 s PRO 89 CO 0.00 -0.10 0.00 0.43 0.04 0.00 0.00 177.00 177.37 1wh9 n SER 90 N 0.50 -8.79 -3.94 6.66 7.64 -1.26 -5.08 113.62 109.35 1wh9 n SER 90 Ca 0.02 1.10 -0.14 0.00 1.01 0.00 0.00 58.87 60.86 1wh9 n SER 90 Cb 0.46 -4.81 -0.09 0.00 -1.01 0.00 0.00 64.21 58.76 1wh9 n SER 90 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh9 s SER 91 N -7.29 0.54 0.00 6.43 0.01 -1.26 -5.08 113.70 107.05 1wh9 s SER 91 Ca 0.00 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 55.81 1wh9 s SER 91 Cb 0.00 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1wh9 s SER 91 CO 0.00 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.32