#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wot n SER -1 N 0.00 -5.53 -3.65 1.61 7.64 -1.26 -4.98 113.62 107.45 1wot n SER -1 Ca 0.00 -0.15 -0.02 0.00 1.01 0.00 0.00 58.87 59.71 1wot n SER -1 Cb 0.00 -1.69 -0.07 0.00 -1.01 0.00 0.00 64.21 61.44 1wot n SER -1 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1wot s HIS 0 N -1.49 -0.08 0.08 1.43 5.65 -1.26 -5.19 115.29 114.43 1wot s HIS 0 Ca 0.39 0.19 -0.27 0.00 0.25 0.00 0.00 55.06 55.62 1wot s HIS 0 Cb -0.04 0.37 0.08 0.00 -1.18 0.00 0.00 32.58 31.81 1wot s HIS 0 CO 0.88 -0.04 0.89 0.00 -0.65 0.00 0.00 174.74 175.82 1wot s MET 1 N 0.31 1.04 0.18 2.88 0.00 -1.26 -4.93 119.30 117.51 1wot s MET 1 Ca 0.03 -0.49 -0.12 0.00 0.00 0.00 0.00 55.69 55.12 1wot s MET 1 Cb -0.04 0.41 0.04 0.00 0.00 0.00 0.00 34.83 35.24 1wot s MET 1 CO -0.14 -0.47 0.58 -0.25 0.00 0.00 0.00 175.02 174.75 1wot n ASP 2 N -0.36 -1.26 -0.06 -1.18 8.00 -1.26 -5.01 116.55 115.43 1wot n ASP 2 Ca -0.08 -1.77 -0.13 0.00 0.71 0.00 0.00 54.79 53.53 1wot n ASP 2 Cb 0.61 2.07 -0.07 0.00 -0.02 0.00 0.00 41.12 43.71 1wot n ASP 2 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1wot h LEU 3 N 0.00 0.37 -0.58 0.64 4.07 -1.98 0.29 115.31 118.13 1wot h LEU 3 Ca -0.19 -0.46 0.10 0.00 0.08 0.00 0.00 57.88 57.41 1wot h LEU 3 Cb 0.77 -0.10 -0.07 0.00 1.08 0.00 0.00 40.66 42.33 1wot h LEU 3 CO 0.25 0.75 0.18 -0.33 -1.08 0.00 0.00 178.44 178.21 1wot h GLU 4 N -0.00 0.33 -0.16 1.13 5.08 -2.00 0.08 114.58 119.03 1wot h GLU 4 Ca 0.03 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 1wot h GLU 4 Cb 0.64 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1wot h GLU 4 CO 0.03 0.22 -0.47 1.15 -1.00 0.00 0.00 179.01 178.94 1wot h THR 5 N 0.34 1.32 -0.95 1.13 2.02 -1.94 -2.43 112.91 112.41 1wot h THR 5 Ca 0.30 -1.68 0.06 0.00 0.77 0.00 0.00 66.41 65.86 1wot h THR 5 Cb 0.40 1.72 -0.06 0.00 -1.74 0.00 0.00 68.15 68.46 1wot h THR 5 CO -0.33 0.51 0.61 -0.07 0.37 0.00 0.00 175.52 176.61 1wot h LEU 6 N 0.33 0.97 -0.15 2.58 4.07 0.91 0.55 115.31 124.56 1wot h LEU 6 Ca 0.02 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.90 1wot h LEU 6 Cb 0.95 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.49 1wot h LEU 6 CO 0.08 0.62 -0.23 0.03 -1.08 0.00 0.00 178.44 177.87 1wot h ARG 7 N 1.10 0.42 0.03 1.13 3.08 -0.92 0.69 114.38 119.91 1wot h ARG 7 Ca 0.40 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1wot h ARG 7 Cb 0.17 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1wot h ARG 7 CO -0.15 0.84 -0.03 0.00 -1.07 0.00 0.00 179.97 179.56 1wot h ALA 8 N 0.58 -0.06 -0.03 0.04 0.00 -0.87 -1.87 119.26 117.06 1wot h ALA 8 Ca 0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1wot h ALA 8 Cb 0.80 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1wot h ALA 8 CO 0.05 -0.54 -0.50 0.07 0.00 0.00 0.00 179.25 178.34 1wot h ARG 9 N -0.07 0.08 -0.49 0.00 -0.00 0.05 -3.04 114.38 110.92 1wot h ARG 9 Ca 0.00 -0.04 0.07 0.00 -0.00 0.00 0.00 59.98 60.00 1wot h ARG 9 Cb 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 29.98 1wot h ARG 9 CO -0.00 0.56 0.17 0.00 -0.00 0.00 0.00 179.97 180.70 1wot h ARG 10 N 0.06 0.33 -0.64 0.08 -0.00 0.10 1.75 114.38 116.08 1wot h ARG 10 Ca -0.00 -0.02 0.01 0.00 -0.50 0.00 0.00 59.98 59.47 1wot h ARG 10 Cb 0.90 -0.08 -0.03 0.00 0.00 0.00 0.00 29.97 30.76 1wot h ARG 10 CO 0.07 0.22 0.41 0.93 0.00 0.00 0.00 179.97 181.60 1wot h GLU 11 N 0.34 0.81 -0.14 0.04 5.08 -1.24 0.69 114.58 120.16 1wot h GLU 11 Ca 0.23 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.38 1wot h GLU 11 Cb 0.25 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1wot h GLU 11 CO -0.24 0.53 -0.61 0.00 -1.00 0.00 0.00 179.01 177.69 1wot h ALA 12 N 1.25 0.68 -0.34 3.43 0.00 -1.25 -2.56 119.26 120.48 1wot h ALA 12 Ca 0.24 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1wot h ALA 12 Cb -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1wot h ALA 12 CO -0.07 0.71 -0.20 0.28 0.00 0.00 0.00 179.25 179.97 1wot h VAL 13 N 0.35 1.26 -0.64 0.00 2.07 0.34 -2.01 116.25 117.62 1wot h VAL 13 Ca -0.01 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.20 1wot h VAL 13 Cb 1.16 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1wot h VAL 13 CO 0.11 0.41 0.16 -0.07 0.02 0.00 0.00 177.57 178.20 1wot h LEU 14 N 0.56 0.95 -0.54 2.57 -0.00 0.55 1.15 115.31 120.55 1wot h LEU 14 Ca 0.09 -0.19 -0.04 0.00 -0.00 0.00 0.00 57.88 57.74 1wot h LEU 14 Cb 0.66 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 41.05 1wot h LEU 14 CO 0.05 0.91 0.17 -1.28 -0.00 0.00 0.00 178.44 178.29 1wot h SER 15 N 0.96 0.78 0.66 -0.43 0.87 -1.04 -1.82 113.55 113.53 1wot h SER 15 Ca 0.20 -0.21 -0.18 0.00 -1.23 0.00 0.00 61.79 60.37 1wot h SER 15 Cb 0.34 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1wot h SER 15 CO -0.00 0.78 -0.84 0.17 -0.53 0.00 0.00 176.83 176.41 1wot h LEU 16 N 0.74 0.15 -0.80 2.23 8.10 -0.95 -2.84 115.31 121.94 1wot h LEU 16 Ca 0.17 -0.12 0.07 0.00 0.11 0.00 0.00 57.88 58.11 1wot h LEU 16 Cb 0.28 -0.05 -0.06 0.00 -0.44 0.00 0.00 40.66 40.39 1wot h LEU 16 CO -0.01 0.92 0.48 0.00 -4.11 0.00 0.00 178.44 175.72 1wot h ALA 18 N 1.40 1.05 -0.09 0.00 0.00 -1.27 1.50 119.26 121.85 1wot h ALA 18 Ca 0.36 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 1wot h ALA 18 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wot h ALA 18 CO -0.19 0.61 -0.78 0.00 0.00 0.00 0.00 179.25 178.89 1wot h ARG 19 N 0.25 0.55 -0.10 0.00 3.08 -0.57 -2.76 114.38 114.82 1wot h ARG 19 Ca 0.02 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1wot h ARG 19 Cb 0.84 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1wot h ARG 19 CO 0.07 1.09 0.00 0.72 -1.07 0.00 0.00 179.97 180.78 1wot n HIS 20 N -3.86 0.13 -1.77 3.04 8.25 0.46 -4.91 115.22 116.56 1wot n HIS 20 Ca -0.06 -0.06 -0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1wot n HIS 20 Cb 0.74 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.85 1wot n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wot n GLY 21 N 0.92 -0.54 2.62 -1.41 0.00 -0.44 -4.59 105.19 101.75 1wot n GLY 21 Ca 0.13 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1wot n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wot s ALA 22 N -2.61 0.36 -0.22 4.61 0.00 0.50 -3.86 121.76 120.54 1wot s ALA 22 Ca 0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 51.96 51.47 1wot s ALA 22 Cb -0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 23.12 21.90 1wot s ALA 22 CO 0.13 -1.24 -0.24 1.33 0.00 0.00 0.00 175.76 175.74 1wot n VAL 23 N 5.28 1.51 -1.94 0.00 0.24 -0.93 -3.81 118.33 118.67 1wot n VAL 23 Ca -0.07 -0.09 -0.40 0.00 -2.04 0.00 0.00 64.34 61.74 1wot n VAL 23 Cb 0.48 -2.11 -0.02 0.00 -1.47 0.00 0.00 33.84 30.71 1wot n VAL 23 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1wot n ARG 24 N -4.39 2.42 -2.87 7.34 1.74 -1.26 -4.91 116.66 114.73 1wot n ARG 24 Ca -0.33 -2.63 -0.43 0.00 -0.77 0.00 0.00 57.85 53.70 1wot n ARG 24 Cb 0.67 -3.37 -0.04 0.00 -1.02 0.00 0.00 32.46 28.69 1wot n ARG 24 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1wot s VAL 25 N 5.55 4.59 0.05 1.55 1.01 -1.26 -3.72 120.40 128.17 1wot s VAL 25 Ca 0.56 0.83 -0.16 0.00 0.00 0.00 0.00 61.98 63.21 1wot s VAL 25 Cb 0.08 -4.34 0.03 0.00 0.00 0.00 0.00 36.38 32.15 1wot s VAL 25 CO 0.05 -0.65 0.36 -0.13 0.00 0.00 0.00 175.10 174.74 1wot s ARG 26 N 3.45 0.88 -0.22 2.72 0.52 -1.18 -4.60 118.95 120.52 1wot s ARG 26 Ca 0.35 -0.45 0.02 0.00 -0.52 0.00 0.00 55.73 55.13 1wot s ARG 26 Cb -0.12 0.39 0.04 0.00 0.52 0.00 0.00 34.95 35.79 1wot s ARG 26 CO 0.22 -0.30 -0.14 0.54 0.02 0.00 0.00 175.30 175.64 1wot s VAL 27 N -2.61 2.04 0.09 3.52 0.11 -0.96 -2.80 120.40 119.79 1wot s VAL 27 Ca -0.04 -1.30 0.09 0.00 -2.93 0.00 0.00 61.98 57.80 1wot s VAL 27 Cb -0.01 -2.04 -0.03 0.00 -1.53 0.00 0.00 36.38 32.77 1wot s VAL 27 CO -0.03 0.20 -0.24 0.72 -3.33 0.00 0.00 175.10 172.41 1wot s PHE 28 N 1.21 2.07 0.00 1.54 -0.71 -1.17 -1.03 117.98 119.89 1wot s PHE 28 Ca -0.03 -0.40 0.00 0.00 -1.04 0.00 0.00 56.93 55.47 1wot s PHE 28 Cb -0.17 -1.16 0.00 0.00 -1.21 0.00 0.00 43.02 40.48 1wot s PHE 28 CO -0.08 0.21 0.00 0.41 -1.34 0.00 0.00 175.22 174.42 1wot n GLY 29 N 1.30 0.32 0.34 1.99 0.00 -1.26 -4.24 105.19 103.64 1wot n GLY 29 Ca -0.18 -2.30 0.07 0.00 0.00 0.00 0.00 46.02 43.61 1wot n GLY 29 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wot h SER 30 N 0.00 0.52 -0.36 1.61 4.64 -1.93 0.76 113.55 118.79 1wot h SER 30 Ca 0.00 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1wot h SER 30 Cb 0.00 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1wot h SER 30 CO 0.00 0.35 0.13 0.58 -0.87 0.00 0.00 176.83 177.02 1wot h VAL 31 N 0.60 1.18 -0.88 0.95 2.07 -1.52 0.44 116.25 119.08 1wot h VAL 31 Ca 0.25 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1wot h VAL 31 Cb 0.22 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1wot h VAL 31 CO -0.07 0.22 0.57 0.00 0.02 0.00 0.00 177.57 178.31 1wot h ALA 32 N 1.55 1.18 0.00 1.67 0.00 -1.07 0.31 119.26 122.89 1wot h ALA 32 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wot h ALA 32 Cb 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1wot h ALA 32 CO -0.01 0.40 0.00 0.54 0.00 0.00 0.00 179.25 180.18 1wot n ARG 33 N -4.54 0.74 -1.69 0.00 5.12 -0.66 -4.86 116.66 110.78 1wot n ARG 33 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1wot n ARG 33 Cb 0.11 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 1wot n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wot n GLY 34 N 1.01 0.74 3.08 -0.13 0.00 0.11 -5.06 105.19 104.94 1wot n GLY 34 Ca 0.19 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 1wot n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wot s GLU 35 N -3.53 2.24 -0.00 1.61 2.56 0.14 -4.96 118.70 116.76 1wot s GLU 35 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 54.97 54.09 1wot s GLU 35 Cb 0.00 -1.83 0.07 0.00 2.00 0.00 0.00 34.13 34.37 1wot s GLU 35 CO 0.00 0.02 0.66 0.00 -0.56 0.00 0.00 175.26 175.37 1wot s ALA 36 N 0.75 -1.72 0.34 6.30 0.00 -1.26 -1.43 121.76 124.74 1wot s ALA 36 Ca -0.12 1.13 0.07 0.00 0.00 0.00 0.00 51.96 53.04 1wot s ALA 36 Cb -0.16 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1wot s ALA 36 CO 0.02 -0.45 0.30 2.89 0.00 0.00 0.00 175.76 178.52 1wot n ARG 37 N 0.64 0.44 0.00 0.00 1.85 -1.26 -5.03 116.66 113.30 1wot n ARG 37 Ca -0.19 -3.36 0.14 0.00 -1.00 0.00 0.00 57.85 53.44 1wot n ARG 37 Cb 0.59 2.79 0.59 0.00 -1.05 0.00 0.00 32.46 35.38 1wot n ARG 37 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1wot n GLU 38 N -0.64 1.43 0.00 2.89 -0.58 -1.26 -3.24 120.64 119.23 1wot n GLU 38 Ca 0.07 -0.72 0.07 0.00 -0.42 0.00 0.00 57.16 56.16 1wot n GLU 38 Cb 0.62 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.96 1wot n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1wot n ASP 39 N -0.15 1.12 -4.59 1.62 8.00 -1.26 -4.99 116.55 116.29 1wot n ASP 39 Ca 0.19 -1.06 -0.26 0.00 0.71 0.00 0.00 54.79 54.37 1wot n ASP 39 Cb 0.31 0.72 -0.02 0.00 -0.02 0.00 0.00 41.12 42.11 1wot n ASP 39 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wot n SER 40 N -0.71 2.83 -4.46 -2.24 7.64 -1.20 -5.16 113.62 110.32 1wot n SER 40 Ca 0.04 -2.85 -0.26 0.00 1.01 0.00 0.00 58.87 56.82 1wot n SER 40 Cb 0.27 0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.44 1wot n SER 40 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1wot s ASP 41 N -3.88 3.07 -0.24 6.43 1.11 -1.26 -4.78 116.67 117.11 1wot s ASP 41 Ca 0.21 -1.50 -0.09 0.00 0.18 0.00 0.00 52.55 51.34 1wot s ASP 41 Cb -0.02 0.11 -0.04 0.00 1.07 0.00 0.00 42.92 44.04 1wot s ASP 41 CO 0.13 -0.70 0.13 -0.22 1.18 0.00 0.00 175.17 175.69 1wot s LEU 42 N -3.63 3.87 -0.31 1.23 1.98 -1.26 -4.89 118.68 115.68 1wot s LEU 42 Ca 0.28 -0.00 -0.11 0.00 -2.89 0.00 0.00 54.13 51.41 1wot s LEU 42 Cb 0.06 -2.04 -0.02 0.00 0.66 0.00 0.00 46.19 44.85 1wot s LEU 42 CO 0.14 0.03 0.18 -1.81 -1.89 0.00 0.00 176.35 172.99 1wot s ASP 43 N 1.25 5.76 -0.08 3.68 1.01 -1.25 0.98 116.67 128.02 1wot s ASP 43 Ca 0.06 -0.36 0.01 0.00 0.71 0.00 0.00 52.55 52.97 1wot s ASP 43 Cb -0.14 -2.06 0.02 0.00 1.01 0.00 0.00 42.92 41.75 1wot s ASP 43 CO 0.05 -0.16 -0.09 -0.76 0.21 0.00 0.00 175.17 174.42 1wot s LEU 44 N 1.68 1.41 -0.34 1.23 1.02 -0.57 -3.03 118.68 120.07 1wot s LEU 44 Ca 0.06 -0.27 -0.14 0.00 0.02 0.00 0.00 54.13 53.79 1wot s LEU 44 Cb -0.17 -0.78 -0.01 0.00 0.02 0.00 0.00 46.19 45.25 1wot s LEU 44 CO 0.08 -0.04 0.31 -0.22 0.02 0.00 0.00 176.35 176.51 1wot s LEU 45 N 1.10 4.49 0.17 1.79 2.96 -1.12 -0.11 118.68 127.96 1wot s LEU 45 Ca -0.07 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 53.59 1wot s LEU 45 Cb -0.14 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 1wot s LEU 45 CO -0.01 -0.30 -0.14 0.68 -1.32 0.00 0.00 176.35 175.25 1wot s VAL 46 N 1.89 1.58 -0.12 1.68 -7.23 0.33 -3.13 120.40 115.41 1wot s VAL 46 Ca 0.09 -2.04 -0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1wot s VAL 46 Cb -0.17 -1.88 0.02 0.00 0.56 0.00 0.00 36.38 34.92 1wot s VAL 46 CO 0.11 -0.54 -0.10 0.00 -0.31 0.00 0.00 175.10 174.27 1wot s ALA 47 N -2.71 1.47 -0.21 1.32 0.00 -1.24 -2.04 121.76 118.35 1wot s ALA 47 Ca 0.18 -0.64 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 1wot s ALA 47 Cb -0.02 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1wot s ALA 47 CO 0.05 -0.39 0.46 -0.06 0.00 0.00 0.00 175.76 175.82 1wot s PHE 48 N 1.61 3.36 0.00 0.00 0.40 -1.25 -2.18 117.98 119.92 1wot s PHE 48 Ca 0.04 0.67 0.00 0.00 -0.60 0.00 0.00 56.93 57.05 1wot s PHE 48 Cb -0.13 -2.60 0.00 0.00 0.51 0.00 0.00 43.02 40.80 1wot s PHE 48 CO -0.08 -0.08 0.00 0.39 0.70 0.00 0.00 175.22 176.15 1wot n GLU 49 N 4.72 1.36 -3.33 0.44 -0.58 -1.26 -4.91 120.64 117.09 1wot n GLU 49 Ca -0.06 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.33 1wot n GLU 49 Cb 0.51 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.32 1wot n GLU 49 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1wot s GLU 50 N 0.00 3.99 0.00 3.49 1.03 -1.26 -3.90 118.70 122.05 1wot s GLU 50 Ca 0.00 0.51 0.00 0.00 0.03 0.00 0.00 54.97 55.51 1wot s GLU 50 Cb 0.00 -2.88 0.00 0.00 -0.80 0.00 0.00 34.13 30.45 1wot s GLU 50 CO 0.00 0.44 0.00 0.41 -1.33 0.00 0.00 175.26 174.78 1wot n GLY 51 N 0.66 3.32 3.69 -3.83 0.00 -1.26 -5.02 105.19 102.75 1wot n GLY 51 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1wot n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wot s ARG 52 N -0.66 4.39 0.48 1.61 1.81 -1.25 -5.03 118.95 120.30 1wot s ARG 52 Ca 0.00 1.60 0.07 0.00 -1.72 0.00 0.00 55.73 55.68 1wot s ARG 52 Cb 0.00 -3.52 0.00 0.00 -0.45 0.00 0.00 34.95 30.98 1wot s ARG 52 CO 0.00 -0.36 0.35 0.95 -0.68 0.00 0.00 175.30 175.56 1wot s THR 53 N 1.93 2.10 0.57 0.02 -4.23 -1.26 -4.96 115.64 109.81 1wot s THR 53 Ca 0.54 -1.49 0.26 0.00 -1.18 0.00 0.00 61.69 59.83 1wot s THR 53 Cb -0.23 -2.59 0.36 0.00 1.34 0.00 0.00 72.50 71.37 1wot s THR 53 CO 0.22 0.00 2.08 0.25 -0.54 0.00 0.00 174.62 176.64 1wot h LEU 54 N 0.98 0.00 -0.68 4.79 5.85 -1.98 0.17 115.31 124.44 1wot h LEU 54 Ca -0.39 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.42 1wot h LEU 54 Cb 1.28 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.24 1wot h LEU 54 CO 0.60 0.00 0.32 0.25 -0.34 0.00 0.00 178.44 179.27 1wot h LEU 55 N 0.00 0.39 -0.47 2.25 7.12 -1.98 1.59 115.31 124.21 1wot h LEU 55 Ca 0.11 0.07 -0.17 0.00 0.13 0.00 0.00 57.88 58.02 1wot h LEU 55 Cb 0.55 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.68 1wot h LEU 55 CO -0.00 0.22 -0.55 0.44 -0.13 0.00 0.00 178.44 178.42 1wot h ASP 56 N 0.54 0.69 0.01 1.25 3.32 -1.29 -1.37 116.42 119.58 1wot h ASP 56 Ca 0.34 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1wot h ASP 56 Cb 0.37 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1wot h ASP 56 CO -0.28 1.10 -0.01 0.45 -1.72 0.00 0.00 179.24 178.78 1wot h HIS 57 N 0.48 -0.02 -0.82 4.55 3.86 -0.66 0.50 115.15 123.04 1wot h HIS 57 Ca 0.01 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.27 1wot h HIS 57 Cb 1.10 0.01 -0.06 0.00 1.06 0.00 0.00 27.41 29.52 1wot h HIS 57 CO 0.05 0.26 0.51 0.00 0.86 0.00 0.00 177.93 179.61 1wot h ALA 58 N 0.68 1.11 -0.24 2.45 0.00 0.22 0.37 119.26 123.85 1wot h ALA 58 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1wot h ALA 58 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1wot h ALA 58 CO 0.00 0.27 -0.36 0.00 0.00 0.00 0.00 179.25 179.16 1wot h ARG 59 N 0.95 0.54 -0.11 0.00 3.08 -1.05 -0.39 114.38 117.40 1wot h ARG 59 Ca 0.35 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1wot h ARG 59 Cb 0.12 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1wot h ARG 59 CO -0.15 0.82 0.00 1.25 -1.07 0.00 0.00 179.97 180.82 1wot h LEU 60 N 0.45 0.19 -0.74 3.04 5.85 0.14 1.32 115.31 125.56 1wot h LEU 60 Ca 0.05 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1wot h LEU 60 Cb 0.84 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1wot h LEU 60 CO 0.07 0.45 0.42 0.50 -0.34 0.00 0.00 178.44 179.55 1wot h LYS 61 N -0.07 1.03 -0.10 1.25 3.11 -0.24 0.58 116.57 122.13 1wot h LYS 61 Ca 0.03 -0.11 -0.15 0.00 -2.81 0.00 0.00 60.65 57.61 1wot h LYS 61 Cb 0.35 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.37 1wot h LYS 61 CO 0.01 0.75 -0.60 1.37 -2.81 0.00 0.00 179.45 178.16 1wot h LEU 62 N 1.02 0.37 -0.60 5.20 8.10 -0.89 -0.46 115.31 128.05 1wot h LEU 62 Ca 0.26 -0.21 -0.13 0.00 0.11 0.00 0.00 57.88 57.91 1wot h LEU 62 Cb 0.01 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.11 1wot h LEU 62 CO -0.05 0.88 -0.34 0.00 -4.11 0.00 0.00 178.44 174.83 1wot h ALA 63 N 1.12 0.79 -0.30 0.17 0.00 0.26 0.31 119.26 121.60 1wot h ALA 63 Ca -0.01 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 1wot h ALA 63 Cb 1.12 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1wot h ALA 63 CO 0.10 0.65 -0.46 -0.07 0.00 0.00 0.00 179.25 179.47 1wot h LEU 64 N 0.62 0.93 -0.96 0.00 3.38 0.31 -1.44 115.31 118.14 1wot h LEU 64 Ca 0.06 -0.51 -0.09 0.00 0.09 0.00 0.00 57.88 57.44 1wot h LEU 64 Cb 0.87 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1wot h LEU 64 CO 0.08 1.26 -0.41 -0.33 0.09 0.00 0.00 178.44 179.13 1wot h GLU 65 N 0.63 0.00 -0.09 1.13 5.08 -0.91 -1.94 114.58 118.48 1wot h GLU 65 Ca 0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1wot h GLU 65 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1wot h GLU 65 CO 0.11 0.41 -0.32 0.78 -1.00 0.00 0.00 179.01 178.99 1wot h GLY 66 N 1.90 0.41 0.91 -3.84 0.00 -0.18 1.90 103.07 104.17 1wot h GLY 66 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 1wot h GLY 66 CO 0.05 0.49 0.10 -2.00 0.00 0.00 0.00 176.54 175.18 1wot h LEU 67 N -0.09 0.46 0.00 3.11 5.85 -1.21 -2.19 115.31 121.24 1wot h LEU 67 Ca -0.01 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1wot h LEU 67 Cb 0.95 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1wot h LEU 67 CO 0.07 0.54 -0.27 0.18 -0.34 0.00 0.00 178.44 178.62 1wot n LEU 68 N -4.68 0.27 -1.26 2.25 4.77 -0.73 -4.89 117.00 112.72 1wot n LEU 68 Ca -0.02 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1wot n LEU 68 Cb 0.16 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 40.84 1wot n LEU 68 CO 0.37 0.06 -0.11 0.61 -1.33 0.00 0.00 177.39 176.99 1wot n GLY 69 N 1.50 1.07 0.56 -0.72 0.00 0.63 -4.76 105.19 103.47 1wot n GLY 69 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 1wot n GLY 69 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wot n VAL 70 N -1.75 0.00 -2.96 1.61 0.24 -0.45 -4.70 118.33 110.31 1wot n VAL 70 Ca -0.11 -0.39 -0.40 0.00 -2.04 0.00 0.00 64.34 61.40 1wot n VAL 70 Cb 0.39 0.12 -0.05 0.00 -1.47 0.00 0.00 33.84 32.83 1wot n VAL 70 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1wot s ARG 71 N -2.26 4.49 0.02 7.34 1.81 -1.26 -4.37 118.95 124.72 1wot s ARG 71 Ca 0.02 1.07 0.03 0.00 -1.72 0.00 0.00 55.73 55.13 1wot s ARG 71 Cb 0.00 -3.40 -0.02 0.00 -0.45 0.00 0.00 34.95 31.09 1wot s ARG 71 CO 0.02 0.18 -0.09 0.08 -0.68 0.00 0.00 175.30 174.81 1wot s VAL 72 N 0.30 0.71 -0.24 3.52 1.01 -1.26 -4.05 120.40 120.39 1wot s VAL 72 Ca 0.40 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1wot s VAL 72 Cb -0.20 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.55 1wot s VAL 72 CO 0.22 -0.07 -0.12 -0.62 0.00 0.00 0.00 175.10 174.52 1wot s ASP 73 N -0.92 4.12 -0.03 3.32 -1.08 0.28 -4.85 116.67 117.50 1wot s ASP 73 Ca -0.02 -1.13 -0.05 0.00 -0.52 0.00 0.00 52.55 50.83 1wot s ASP 73 Cb -0.07 -1.56 -0.04 0.00 -1.46 0.00 0.00 42.92 39.79 1wot s ASP 73 CO 0.00 -0.14 0.21 -0.63 0.52 0.00 0.00 175.17 175.13 1wot s ILE 74 N 1.19 5.40 0.04 4.11 1.01 -1.26 -1.52 121.20 130.16 1wot s ILE 74 Ca -0.04 0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.70 1wot s ILE 74 Cb -0.18 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 1wot s ILE 74 CO -0.07 0.41 -0.13 -0.69 0.00 0.00 0.00 174.94 174.46 1wot s VAL 75 N -1.25 0.99 -0.20 2.92 1.01 0.85 -4.91 120.40 119.81 1wot s VAL 75 Ca 0.25 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 1wot s VAL 75 Cb -0.13 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1wot s VAL 75 CO 0.15 -0.03 -0.01 -0.94 0.00 0.00 0.00 175.10 174.26 1wot s SER 76 N -1.10 4.68 0.23 3.32 1.04 -1.26 -0.51 113.70 120.10 1wot s SER 76 Ca 0.00 -0.25 -0.14 0.00 0.48 0.00 0.00 55.95 56.04 1wot s SER 76 Cb -0.08 -1.80 0.29 0.00 0.10 0.00 0.00 66.02 64.53 1wot s SER 76 CO 0.01 0.05 1.58 -0.33 0.98 0.00 0.00 173.24 175.53 1wot h GLU 77 N 7.59 -0.03 -0.80 4.02 5.08 -1.79 1.74 114.58 130.38 1wot h GLU 77 Ca -0.36 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.17 1wot h GLU 77 Cb 1.18 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 1wot h GLU 77 CO 0.60 -0.02 0.54 0.00 -1.00 0.00 0.00 179.01 179.13 1wot h ARG 78 N -0.04 0.37 0.00 2.33 2.47 -1.94 0.51 114.38 118.08 1wot h ARG 78 Ca 0.36 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.05 1wot h ARG 78 Cb 0.61 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1wot h ARG 78 CO -0.87 0.25 -0.33 0.78 0.56 0.00 0.00 179.97 180.35 1wot h GLY 79 N 0.38 0.00 -0.44 0.04 0.00 0.19 -3.46 103.07 99.79 1wot h GLY 79 Ca 0.40 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.54 1wot h GLY 79 CO -0.13 0.00 0.07 1.04 0.00 0.00 0.00 176.54 177.51 1wot n LEU 80 N -2.97 0.00 -4.75 3.11 4.77 0.18 -4.95 117.00 112.39 1wot n LEU 80 Ca 0.03 -0.58 -0.25 0.00 -0.03 0.00 0.00 56.01 55.18 1wot n LEU 80 Cb 0.54 -0.49 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1wot n LEU 80 CO 0.36 -1.55 -0.15 0.00 -1.33 0.00 0.00 177.39 174.72 1wot s ALA 81 N -3.05 3.62 0.01 -1.18 0.00 -1.26 -4.95 121.76 114.94 1wot s ALA 81 Ca 0.35 -2.07 -0.20 0.00 0.00 0.00 0.00 51.96 50.04 1wot s ALA 81 Cb -0.03 -0.39 -0.22 0.00 0.00 0.00 0.00 23.12 22.47 1wot s ALA 81 CO 0.27 -0.17 1.13 -1.00 0.00 0.00 0.00 175.76 175.99 1wot h PRO 82 N 1.40 0.41 0.00 0.00 0.13 -1.98 0.41 132.00 132.38 1wot h PRO 82 Ca -0.43 -0.40 -0.09 0.00 -0.87 0.00 0.00 66.00 64.22 1wot h PRO 82 Cb 1.25 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1wot h PRO 82 CO 0.70 1.06 -0.41 0.07 -0.23 0.00 0.00 178.00 179.18 1wot h ARG 83 N -0.09 0.00 0.07 0.86 0.11 -2.00 -2.90 114.38 110.44 1wot h ARG 83 Ca -0.06 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.88 1wot h ARG 83 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1wot h ARG 83 CO 0.10 0.41 -0.72 -0.07 0.10 0.00 0.00 179.97 179.80 1wot h LEU 84 N 0.00 0.23 -0.34 0.08 4.07 -1.97 -3.02 115.31 114.36 1wot h LEU 84 Ca -0.00 -0.89 0.07 0.00 0.08 0.00 0.00 57.88 57.13 1wot h LEU 84 Cb 1.26 -0.07 -0.07 0.00 1.08 0.00 0.00 40.66 42.86 1wot h LEU 84 CO 0.05 1.32 -0.09 -0.09 -1.08 0.00 0.00 178.44 178.55 1wot h ARG 85 N -0.65 -0.01 -0.91 1.13 2.43 -0.24 1.59 114.38 117.73 1wot h ARG 85 Ca -0.15 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.05 1wot h ARG 85 Cb 1.41 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.90 1wot h ARG 85 CO 0.03 -0.01 0.59 1.49 -1.51 0.00 0.00 179.97 180.57 1wot h GLU 86 N -0.01 1.11 -0.17 0.20 4.81 -1.65 0.27 114.58 119.15 1wot h GLU 86 Ca 0.16 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 59.15 1wot h GLU 86 Cb 0.26 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1wot h GLU 86 CO -0.35 0.74 -0.61 0.37 -0.73 0.00 0.00 179.01 178.43 1wot h GLN 87 N 1.15 0.57 0.01 1.92 4.15 -1.00 -2.27 115.11 119.63 1wot h GLN 87 Ca 0.36 -0.39 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1wot h GLN 87 Cb -0.00 0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1wot h GLN 87 CO -0.12 1.01 -0.00 0.28 -1.93 0.00 0.00 178.83 178.07 1wot h VAL 88 N 0.43 1.15 -0.90 2.39 2.07 0.31 -2.59 116.25 119.11 1wot h VAL 88 Ca -0.00 -0.47 0.08 0.00 0.82 0.00 0.00 66.70 67.13 1wot h VAL 88 Cb 1.17 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 32.34 1wot h VAL 88 CO 0.11 0.12 0.58 -0.07 0.02 0.00 0.00 177.57 178.34 1wot h LEU 89 N -0.21 0.85 -2.02 2.57 3.38 -0.49 1.75 115.31 121.14 1wot h LEU 89 Ca -0.00 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.11 1wot h LEU 89 Cb 0.20 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1wot h LEU 89 CO 0.00 0.52 0.40 0.03 0.09 0.00 0.00 178.44 179.48 1wot h ARG 90 N 0.95 0.00 0.00 1.13 3.08 -1.00 -2.68 114.38 115.86 1wot h ARG 90 Ca 0.41 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.17 1wot h ARG 90 Cb 0.32 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 1wot h ARG 90 CO -0.17 0.00 -2.04 0.39 -1.07 0.00 0.00 179.97 177.08 1wot n GLU 91 N -3.88 0.43 -1.46 0.04 -0.58 0.74 -5.00 120.64 110.93 1wot n GLU 91 Ca 0.07 0.14 -0.46 0.00 -0.42 0.00 0.00 57.16 56.49 1wot n GLU 91 Cb 0.59 -1.28 -0.02 0.00 -0.57 0.00 0.00 31.44 30.15 1wot n GLU 91 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wot n ALA 92 N -3.38 -1.91 -3.75 0.62 0.00 0.56 -4.72 120.51 107.93 1wot n ALA 92 Ca -0.34 0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 1wot n ALA 92 Cb 0.81 -1.75 -0.16 0.00 0.00 0.00 0.00 19.45 18.35 1wot n ALA 92 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1wot s ILE 93 N -1.10 -0.02 -0.30 0.00 -4.36 -0.20 -4.85 121.20 110.37 1wot s ILE 93 Ca 0.62 0.22 -0.29 0.00 -0.26 0.00 0.00 60.65 60.94 1wot s ILE 93 Cb -0.81 -0.13 -0.00 0.00 1.25 0.00 0.00 42.46 42.77 1wot s ILE 93 CO 0.58 0.11 1.35 -2.16 0.24 0.00 0.00 174.94 175.06 1wot s PRO 94 N 1.19 3.88 0.00 0.37 0.04 -1.26 -2.28 135.00 136.94 1wot s PRO 94 Ca -0.08 1.27 0.09 0.00 0.04 0.00 0.00 61.00 62.33 1wot s PRO 94 Cb -0.13 -3.91 0.52 0.00 0.04 0.00 0.00 34.50 31.03 1wot s PRO 94 CO -0.03 -1.17 0.97 -0.11 0.04 0.00 0.00 177.00 176.70