#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wot s SER -1 N 0.00 7.16 0.00 1.61 1.04 -1.26 -4.55 113.70 117.69 1wot s SER -1 Ca 0.00 -3.32 0.00 0.00 0.48 0.00 0.00 55.95 53.11 1wot s SER -1 Cb 0.00 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.91 1wot s SER -1 CO 0.00 -0.38 0.78 1.57 0.98 0.00 0.00 173.24 176.19 1wot n HIS 0 N 3.12 0.00 -1.65 5.02 -0.00 -1.26 -5.08 115.22 115.37 1wot n HIS 0 Ca 0.21 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.50 1wot n HIS 0 Cb 0.42 0.04 -0.03 0.00 -0.00 0.00 0.00 29.99 30.41 1wot n HIS 0 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1wot s MET 1 N 0.00 3.50 0.16 1.57 0.00 -1.26 -4.96 119.30 118.31 1wot s MET 1 Ca 0.00 2.21 0.10 0.00 0.00 0.00 0.00 55.69 58.00 1wot s MET 1 Cb 0.00 -4.29 -0.04 0.00 0.00 0.00 0.00 34.83 30.50 1wot s MET 1 CO 0.00 -1.69 -0.23 -0.51 0.00 0.00 0.00 175.02 172.59 1wot s ASP 2 N 6.83 3.13 0.17 1.11 1.01 -1.26 -5.02 116.67 122.64 1wot s ASP 2 Ca 0.95 -0.81 -0.14 0.00 0.71 0.00 0.00 52.55 53.25 1wot s ASP 2 Cb -0.36 -0.21 0.12 0.00 1.01 0.00 0.00 42.92 43.48 1wot s ASP 2 CO 0.37 0.09 1.75 -0.07 0.21 0.00 0.00 175.17 177.52 1wot h LEU 3 N 3.48 0.14 -0.63 1.23 -0.00 -1.98 0.73 115.31 118.29 1wot h LEU 3 Ca -0.46 0.05 0.09 0.00 -0.00 0.00 0.00 57.88 57.56 1wot h LEU 3 Cb 1.20 0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 41.83 1wot h LEU 3 CO 0.45 0.11 0.26 1.05 -0.00 0.00 0.00 178.44 180.32 1wot h GLU 4 N 0.31 0.44 -0.04 1.13 4.11 -1.99 -0.05 114.58 118.48 1wot h GLU 4 Ca 0.21 -0.03 -0.14 0.00 0.07 0.00 0.00 59.36 59.47 1wot h GLU 4 Cb 0.21 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1wot h GLU 4 CO -0.22 0.29 -0.59 1.15 0.07 0.00 0.00 179.01 179.71 1wot h THR 5 N 0.46 1.40 -0.99 -1.06 2.02 -1.64 -2.96 112.91 110.13 1wot h THR 5 Ca 0.32 -1.98 0.16 0.00 0.77 0.00 0.00 66.41 65.67 1wot h THR 5 Cb 0.37 2.03 -0.10 0.00 -1.74 0.00 0.00 68.15 68.71 1wot h THR 5 CO -0.29 0.58 0.60 -0.07 0.37 0.00 0.00 175.52 176.71 1wot h LEU 6 N 0.11 0.82 -0.29 2.58 -0.00 0.24 0.14 115.31 118.90 1wot h LEU 6 Ca -0.01 0.08 -0.19 0.00 -0.00 0.00 0.00 57.88 57.76 1wot h LEU 6 Cb 1.07 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 1wot h LEU 6 CO 0.09 0.35 -0.56 0.03 -0.00 0.00 0.00 178.44 178.34 1wot h ARG 7 N 0.84 0.88 0.07 1.13 3.08 -1.29 0.41 114.38 119.50 1wot h ARG 7 Ca 0.54 -0.57 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1wot h ARG 7 Cb 0.73 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1wot h ARG 7 CO -0.34 1.20 -0.20 0.00 -1.07 0.00 0.00 179.97 179.56 1wot h ALA 8 N 0.68 -0.31 -0.19 0.04 0.00 -0.74 0.27 119.26 119.01 1wot h ALA 8 Ca 0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1wot h ALA 8 Cb 1.18 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1wot h ALA 8 CO 0.13 -0.72 -0.56 0.07 0.00 0.00 0.00 179.25 178.17 1wot h ARG 9 N -0.36 0.59 -0.80 0.00 0.11 -0.91 -2.99 114.38 110.03 1wot h ARG 9 Ca 0.04 -0.38 0.07 0.00 0.10 0.00 0.00 59.98 59.81 1wot h ARG 9 Cb 0.40 0.05 -0.05 0.00 1.11 0.00 0.00 29.97 31.47 1wot h ARG 9 CO -0.14 0.99 0.52 0.00 0.10 0.00 0.00 179.97 181.45 1wot h ARG 10 N 0.45 0.84 -0.34 0.08 -0.00 0.37 0.44 114.38 116.22 1wot h ARG 10 Ca 0.01 -0.05 0.01 0.00 -0.50 0.00 0.00 59.98 59.45 1wot h ARG 10 Cb 1.11 -0.19 -0.02 0.00 0.00 0.00 0.00 29.97 30.87 1wot h ARG 10 CO 0.11 0.55 0.20 0.93 0.00 0.00 0.00 179.97 181.76 1wot h GLU 11 N 0.86 0.40 -0.15 0.04 4.39 -0.33 1.09 114.58 120.88 1wot h GLU 11 Ca 0.35 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.86 1wot h GLU 11 Cb 0.25 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1wot h GLU 11 CO -0.12 0.27 -0.60 0.00 -1.16 0.00 0.00 179.01 177.39 1wot h ALA 12 N 1.14 0.68 -0.41 3.43 0.00 -1.31 -2.82 119.26 119.97 1wot h ALA 12 Ca 0.13 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 1wot h ALA 12 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1wot h ALA 12 CO -0.05 0.71 -0.15 0.28 0.00 0.00 0.00 179.25 180.03 1wot h VAL 13 N 0.38 1.26 -0.68 0.00 2.07 0.44 -0.73 116.25 118.98 1wot h VAL 13 Ca -0.00 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.31 1wot h VAL 13 Cb 1.15 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1wot h VAL 13 CO 0.11 0.41 0.43 -0.07 0.02 0.00 0.00 177.57 178.48 1wot h LEU 14 N 0.68 0.73 -0.82 2.57 -0.00 0.14 1.70 115.31 120.31 1wot h LEU 14 Ca 0.11 -0.01 -0.12 0.00 -0.00 0.00 0.00 57.88 57.86 1wot h LEU 14 Cb 0.64 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.12 1wot h LEU 14 CO 0.04 0.51 -0.46 -1.28 -0.00 0.00 0.00 178.44 177.26 1wot h SER 15 N 0.86 0.32 0.05 -0.43 0.87 -1.24 -2.44 113.55 111.55 1wot h SER 15 Ca 0.26 -0.15 -0.25 0.00 -1.23 0.00 0.00 61.79 60.43 1wot h SER 15 Cb -0.02 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1wot h SER 15 CO -0.09 0.74 -0.96 0.25 -0.53 0.00 0.00 176.83 176.24 1wot h LEU 16 N 0.24 0.83 -0.81 2.23 6.46 0.02 -3.00 115.31 121.28 1wot h LEU 16 Ca 0.02 -0.63 0.08 0.00 -0.12 0.00 0.00 57.88 57.22 1wot h LEU 16 Cb 0.91 -0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 40.52 1wot h LEU 16 CO 0.07 1.43 0.47 0.00 -0.62 0.00 0.00 178.44 179.80 1wot h ALA 18 N 1.42 1.42 0.00 0.00 0.00 -1.39 0.62 119.26 121.33 1wot h ALA 18 Ca 0.37 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 1wot h ALA 18 Cb 0.26 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1wot h ALA 18 CO -0.21 0.53 -0.42 0.00 0.00 0.00 0.00 179.25 179.15 1wot h ARG 19 N 1.12 0.00 -0.04 0.00 3.08 -0.64 -2.31 114.38 115.59 1wot h ARG 19 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1wot h ARG 19 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1wot h ARG 19 CO -0.07 0.42 0.00 0.72 -1.07 0.00 0.00 179.97 179.97 1wot n HIS 20 N -3.53 0.05 0.00 3.04 8.25 0.92 -4.83 115.22 119.11 1wot n HIS 20 Ca -0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1wot n HIS 20 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 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 0.82 2.66 3.15 -1.41 0.00 -0.87 -4.79 105.19 104.75 1wot n GLY 21 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1wot n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wot n ALA 22 N -0.68 -4.38 0.00 4.61 0.00 0.20 -2.81 120.51 117.45 1wot n ALA 22 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1wot n ALA 22 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1wot n ALA 22 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wot n VAL 23 N -2.68 0.00 -3.03 0.00 3.14 0.54 -4.15 118.33 112.16 1wot n VAL 23 Ca 0.02 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.05 1wot n VAL 23 Cb 0.54 -0.29 -0.03 0.00 -1.06 0.00 0.00 33.84 33.00 1wot n VAL 23 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wot n ARG 24 N -2.40 3.85 -2.23 1.45 5.12 -1.18 -4.93 116.66 116.34 1wot n ARG 24 Ca 0.00 -4.69 -0.42 0.00 -1.93 0.00 0.00 57.85 50.81 1wot n ARG 24 Cb 0.00 -2.37 -0.03 0.00 -1.16 0.00 0.00 32.46 28.91 1wot n ARG 24 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1wot s VAL 25 N -3.44 3.69 0.05 1.55 1.01 -1.26 -3.10 120.40 118.90 1wot s VAL 25 Ca 0.40 1.10 -0.16 0.00 0.00 0.00 0.00 61.98 63.31 1wot s VAL 25 Cb 0.16 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.87 1wot s VAL 25 CO -0.03 0.01 0.37 -0.13 0.00 0.00 0.00 175.10 175.32 1wot s ARG 26 N 2.19 0.89 -0.20 2.72 0.52 0.51 -4.41 118.95 121.18 1wot s ARG 26 Ca 0.64 -0.45 -0.01 0.00 -0.52 0.00 0.00 55.73 55.38 1wot s ARG 26 Cb -0.32 0.39 0.01 0.00 0.52 0.00 0.00 34.95 35.56 1wot s ARG 26 CO 0.27 -0.30 -0.13 0.54 0.02 0.00 0.00 175.30 175.69 1wot s VAL 27 N -2.64 2.57 0.09 3.52 0.11 -0.16 0.16 120.40 124.04 1wot s VAL 27 Ca -0.04 -0.80 0.09 0.00 -2.93 0.00 0.00 61.98 58.30 1wot s VAL 27 Cb -0.00 -2.14 -0.03 0.00 -1.53 0.00 0.00 36.38 32.67 1wot s VAL 27 CO -0.04 0.47 -0.23 0.72 -3.33 0.00 0.00 175.10 172.69 1wot s PHE 28 N 1.36 2.01 -0.46 1.54 -0.71 -1.12 -0.87 117.98 119.73 1wot s PHE 28 Ca 0.05 -0.40 0.00 0.00 -1.04 0.00 0.00 56.93 55.54 1wot s PHE 28 Cb -0.14 -1.13 0.00 0.00 -1.21 0.00 0.00 43.02 40.54 1wot s PHE 28 CO -0.09 0.20 0.00 0.41 -1.34 0.00 0.00 175.22 174.40 1wot n GLY 29 N 1.31 0.53 0.15 1.99 0.00 -1.26 -4.38 105.19 103.53 1wot n GLY 29 Ca -0.18 -2.21 -0.05 0.00 0.00 0.00 0.00 46.02 43.59 1wot n GLY 29 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wot h SER 30 N 0.00 0.19 -0.86 1.61 0.02 -1.95 -2.98 113.55 109.58 1wot h SER 30 Ca 0.00 -0.12 0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1wot h SER 30 Cb 0.00 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.44 1wot h SER 30 CO 0.00 0.79 0.56 0.58 -1.14 0.00 0.00 176.83 177.62 1wot h VAL 31 N 0.11 1.14 -0.13 2.27 2.07 -1.59 0.22 116.25 120.34 1wot h VAL 31 Ca -0.01 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.18 1wot h VAL 31 Cb 1.18 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1wot h VAL 31 CO 0.10 0.19 0.09 0.00 0.02 0.00 0.00 177.57 177.97 1wot h ALA 32 N 1.50 2.12 0.00 1.67 0.00 -1.77 0.29 119.26 123.07 1wot h ALA 32 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1wot h ALA 32 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wot h ALA 32 CO -0.10 -0.16 -0.66 0.54 0.00 0.00 0.00 179.25 178.87 1wot n ARG 33 N -4.50 0.23 -0.10 0.00 5.12 0.41 -4.94 116.66 112.88 1wot n ARG 33 Ca 0.00 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1wot n ARG 33 Cb 0.22 -1.63 0.00 0.00 -1.16 0.00 0.00 32.46 29.89 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 1.38 1.19 2.97 -0.13 0.00 0.10 -5.11 105.19 105.60 1wot n GLY 34 Ca 0.04 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1wot n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wot s GLU 35 N -0.41 1.58 0.00 1.61 2.02 0.47 -4.94 118.70 119.04 1wot s GLU 35 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.66 1wot s GLU 35 Cb 0.00 -1.45 0.00 0.00 0.10 0.00 0.00 34.13 32.78 1wot s GLU 35 CO 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 175.26 175.18 1wot n ALA 36 N 4.30 0.00 -3.76 5.21 0.00 -1.26 -1.63 120.51 123.36 1wot n ALA 36 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 1wot n ALA 36 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 1wot n ALA 36 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1wot s ARG 37 N -0.77 2.00 0.31 0.00 3.03 -1.26 -5.03 118.95 117.23 1wot s ARG 37 Ca 0.00 -1.25 0.24 0.00 2.03 0.00 0.00 55.73 56.74 1wot s ARG 37 Cb 0.00 0.61 0.39 0.00 -1.03 0.00 0.00 34.95 34.92 1wot s ARG 37 CO 0.00 -0.92 1.51 1.05 -1.13 0.00 0.00 175.30 175.81 1wot h GLU 38 N 2.02 0.00 -2.34 3.89 4.11 -2.01 -3.34 114.58 116.90 1wot h GLU 38 Ca -0.26 0.00 -0.70 0.00 0.07 0.00 0.00 59.36 58.47 1wot h GLU 38 Cb 1.25 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.15 1wot h GLU 38 CO 0.33 0.00 0.15 -3.47 0.07 0.00 0.00 179.01 176.09 1wot n ASP 39 N -2.71 5.68 -1.99 3.06 -0.08 -1.26 -4.98 116.55 114.27 1wot n ASP 39 Ca 0.04 -3.62 -0.01 0.00 -1.51 0.00 0.00 54.79 49.68 1wot n ASP 39 Cb 0.50 -0.88 0.01 0.00 2.34 0.00 0.00 41.12 43.08 1wot n ASP 39 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1wot n SER 40 N 0.16 -0.73 -4.55 1.67 7.64 -1.26 -5.18 113.62 111.38 1wot n SER 40 Ca 0.36 -1.37 -0.25 0.00 1.01 0.00 0.00 58.87 58.62 1wot n SER 40 Cb 0.34 1.18 -0.10 0.00 -1.01 0.00 0.00 64.21 64.62 1wot n SER 40 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1wot s ASP 41 N -2.05 3.85 -0.22 6.43 1.47 -1.26 -4.91 116.67 119.97 1wot s ASP 41 Ca 0.10 -1.09 -0.03 0.00 1.18 0.00 0.00 52.55 52.72 1wot s ASP 41 Cb -0.01 -0.41 0.00 0.00 -0.34 0.00 0.00 42.92 42.17 1wot s ASP 41 CO 0.02 -0.15 -0.07 -0.22 0.68 0.00 0.00 175.17 175.43 1wot s LEU 42 N -3.62 2.84 -0.41 2.11 0.20 -1.26 -4.95 118.68 113.60 1wot s LEU 42 Ca 0.32 -0.54 -0.29 0.00 0.69 0.00 0.00 54.13 54.32 1wot s LEU 42 Cb -0.00 -1.68 0.02 0.00 -0.43 0.00 0.00 46.19 44.10 1wot s LEU 42 CO 0.17 -0.04 1.11 -1.81 -0.29 0.00 0.00 176.35 175.49 1wot s ASP 43 N 1.42 6.76 -0.15 3.68 1.11 -1.26 -2.62 116.67 125.61 1wot s ASP 43 Ca 0.05 0.74 0.02 0.00 0.18 0.00 0.00 52.55 53.53 1wot s ASP 43 Cb -0.15 -2.55 0.01 0.00 1.07 0.00 0.00 42.92 41.30 1wot s ASP 43 CO -0.05 -1.09 -0.20 -0.76 1.18 0.00 0.00 175.17 174.25 1wot s LEU 44 N 4.11 2.22 -0.33 1.23 1.43 -0.74 -2.80 118.68 123.80 1wot s LEU 44 Ca 0.47 -0.57 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 1wot s LEU 44 Cb -0.09 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 1wot s LEU 44 CO 0.24 0.08 0.39 -0.22 0.23 0.00 0.00 176.35 177.07 1wot s LEU 45 N 0.84 4.32 0.12 1.79 2.96 0.41 0.34 118.68 129.47 1wot s LEU 45 Ca -0.06 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 1wot s LEU 45 Cb -0.15 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 1wot s LEU 45 CO -0.02 -0.33 -0.08 0.68 -1.32 0.00 0.00 176.35 175.28 1wot s VAL 46 N 2.10 0.92 -0.12 1.68 -7.23 0.63 0.19 120.40 118.58 1wot s VAL 46 Ca 0.14 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1wot s VAL 46 Cb -0.16 -1.71 0.02 0.00 0.56 0.00 0.00 36.38 35.10 1wot s VAL 46 CO 0.12 -0.78 -0.10 0.00 -0.31 0.00 0.00 175.10 174.02 1wot s ALA 47 N -3.35 1.46 -0.15 1.32 0.00 -1.18 -1.94 121.76 117.93 1wot s ALA 47 Ca 0.13 -0.62 -0.18 0.00 0.00 0.00 0.00 51.96 51.29 1wot s ALA 47 Cb 0.03 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1wot s ALA 47 CO -0.02 -0.34 0.47 -0.06 0.00 0.00 0.00 175.76 175.81 1wot s PHE 48 N 1.51 3.46 0.00 0.00 0.40 -1.26 -0.34 117.98 121.76 1wot s PHE 48 Ca 0.02 0.82 0.00 0.00 -0.60 0.00 0.00 56.93 57.18 1wot s PHE 48 Cb -0.13 -2.57 0.00 0.00 0.51 0.00 0.00 43.02 40.83 1wot s PHE 48 CO -0.07 0.09 0.00 0.39 0.70 0.00 0.00 175.22 176.33 1wot n GLU 49 N 4.00 0.06 -3.33 0.44 1.02 -1.12 -4.91 120.64 116.79 1wot n GLU 49 Ca -0.07 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.69 1wot n GLU 49 Cb 0.51 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.87 1wot n GLU 49 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1wot s GLU 50 N -1.09 4.26 0.00 3.49 2.12 -1.26 -3.96 118.70 122.26 1wot s GLU 50 Ca 0.00 0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.68 1wot s GLU 50 Cb 0.00 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.90 1wot s GLU 50 CO 0.00 0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 1wot n GLY 51 N 3.59 1.75 3.80 -1.50 0.00 -1.26 -5.10 105.19 106.46 1wot n GLY 51 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.05 4.12 0.34 1.61 1.81 -1.25 -5.07 118.95 120.46 1wot s ARG 52 Ca 0.00 1.34 0.03 0.00 -1.72 0.00 0.00 55.73 55.38 1wot s ARG 52 Cb 0.00 -2.34 -0.05 0.00 -0.45 0.00 0.00 34.95 32.12 1wot s ARG 52 CO 0.00 -0.15 0.09 0.95 -0.68 0.00 0.00 175.30 175.51 1wot s THR 53 N -1.89 0.89 0.49 0.02 -4.23 -1.26 -5.01 115.64 104.65 1wot s THR 53 Ca 0.61 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.28 1wot s THR 53 Cb -0.16 -2.62 0.31 0.00 1.34 0.00 0.00 72.50 71.37 1wot s THR 53 CO 0.21 0.00 2.07 -0.07 -0.54 0.00 0.00 174.62 176.29 1wot h LEU 54 N 2.05 0.13 -0.70 4.79 -0.00 -1.99 -0.38 115.31 119.21 1wot h LEU 54 Ca -0.39 -0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.58 1wot h LEU 54 Cb 1.25 -0.03 -0.07 0.00 -0.00 0.00 0.00 40.66 41.82 1wot h LEU 54 CO 0.64 0.09 0.36 -0.07 -0.00 0.00 0.00 178.44 179.45 1wot h LEU 55 N 0.15 0.48 -0.68 1.67 -0.00 -2.00 0.15 115.31 115.09 1wot h LEU 55 Ca 0.13 0.05 -0.13 0.00 -0.00 0.00 0.00 57.88 57.93 1wot h LEU 55 Cb 0.32 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 1wot h LEU 55 CO -0.02 0.29 -0.34 0.44 -0.00 0.00 0.00 178.44 178.81 1wot h ASP 56 N 0.62 0.68 -0.48 -0.43 3.32 -1.45 -2.69 116.42 115.99 1wot h ASP 56 Ca 0.33 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 57.13 1wot h ASP 56 Cb 0.32 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1wot h ASP 56 CO -0.25 0.96 0.28 0.45 -1.72 0.00 0.00 179.24 178.96 1wot h HIS 57 N 0.55 0.51 -0.86 4.55 3.86 -0.44 0.54 115.15 123.86 1wot h HIS 57 Ca 0.06 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.33 1wot h HIS 57 Cb 0.84 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 29.09 1wot h HIS 57 CO 0.04 0.29 0.55 0.00 0.86 0.00 0.00 177.93 179.67 1wot h ALA 58 N 1.22 1.14 -0.20 2.45 0.00 -0.62 0.82 119.26 124.08 1wot h ALA 58 Ca 0.19 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1wot h ALA 58 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1wot h ALA 58 CO -0.10 0.36 -0.43 0.00 0.00 0.00 0.00 179.25 179.09 1wot h ARG 59 N 1.05 0.48 -0.07 0.00 2.47 -0.96 -0.64 114.38 116.71 1wot h ARG 59 Ca 0.35 -0.25 -0.03 0.00 -1.26 0.00 0.00 59.98 58.79 1wot h ARG 59 Cb 0.05 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1wot h ARG 59 CO -0.13 0.82 -0.08 1.25 0.56 0.00 0.00 179.97 182.39 1wot h LEU 60 N 0.39 0.19 -0.19 3.04 5.85 0.13 0.16 115.31 124.89 1wot h LEU 60 Ca 0.03 -0.51 0.02 0.00 0.84 0.00 0.00 57.88 58.27 1wot h LEU 60 Cb 0.91 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1wot h LEU 60 CO 0.08 0.66 0.04 0.50 -0.34 0.00 0.00 178.44 179.38 1wot h LYS 61 N -0.27 0.11 -0.29 1.25 3.11 0.67 0.49 116.57 121.63 1wot h LYS 61 Ca 0.01 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 1wot h LYS 61 Cb 0.61 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.80 1wot h LYS 61 CO 0.02 0.07 -0.01 1.37 -2.81 0.00 0.00 179.45 178.09 1wot h LEU 62 N 0.11 0.41 -0.76 5.20 8.10 -1.11 -0.28 115.31 126.98 1wot h LEU 62 Ca 0.09 -0.07 -0.12 0.00 0.11 0.00 0.00 57.88 57.89 1wot h LEU 62 Cb 0.08 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.18 1wot h LEU 62 CO -0.11 0.48 -0.31 0.00 -4.11 0.00 0.00 178.44 174.39 1wot h ALA 63 N 1.57 0.94 -0.04 0.17 0.00 0.69 -2.31 119.26 120.28 1wot h ALA 63 Ca 0.09 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1wot h ALA 63 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1wot h ALA 63 CO 0.01 0.61 -0.55 -0.07 0.00 0.00 0.00 179.25 179.25 1wot h LEU 64 N 0.51 0.13 -1.21 0.00 3.38 0.93 -2.63 115.31 116.41 1wot h LEU 64 Ca 0.06 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1wot h LEU 64 Cb 0.78 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1wot h LEU 64 CO 0.06 0.65 -0.39 -0.33 0.09 0.00 0.00 178.44 178.53 1wot h GLU 65 N 0.09 0.01 0.05 1.13 5.08 -0.61 0.20 114.58 120.52 1wot h GLU 65 Ca -0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wot h GLU 65 Cb 1.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1wot h GLU 65 CO 0.08 0.40 -0.03 0.78 -1.00 0.00 0.00 179.01 179.24 1wot h GLY 66 N 1.17 -0.07 0.85 -3.84 0.00 -1.08 1.24 103.07 101.33 1wot h GLY 66 Ca -0.00 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1wot h GLY 66 CO 0.05 -0.03 0.02 1.41 0.00 0.00 0.00 176.54 178.00 1wot h LEU 67 N -0.65 0.39 -0.21 3.11 3.38 -1.42 -2.02 115.31 117.90 1wot h LEU 67 Ca -0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1wot h LEU 67 Cb 0.56 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1wot h LEU 67 CO 0.01 0.58 -0.02 0.18 0.09 0.00 0.00 178.44 179.27 1wot n LEU 68 N -4.68 0.34 -2.30 1.67 4.32 0.69 -4.87 117.00 112.18 1wot n LEU 68 Ca -0.04 -0.04 -0.01 0.00 -0.02 0.00 0.00 56.01 55.90 1wot n LEU 68 Cb 0.22 -0.08 -0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1wot n LEU 68 CO 0.37 0.06 -0.00 0.61 -1.22 0.00 0.00 177.39 177.21 1wot n GLY 69 N 1.13 -0.43 3.38 -0.72 0.00 0.41 -4.78 105.19 104.18 1wot n GLY 69 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 1wot n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wot s VAL 70 N -1.78 0.03 0.21 1.61 -7.23 -0.46 -4.97 120.40 107.81 1wot s VAL 70 Ca 0.02 -0.24 -0.30 0.00 -1.81 0.00 0.00 61.98 59.65 1wot s VAL 70 Cb -0.01 -1.05 -0.16 0.00 0.56 0.00 0.00 36.38 35.71 1wot s VAL 70 CO 0.03 -0.14 0.87 0.54 -0.31 0.00 0.00 175.10 176.10 1wot n ARG 71 N -0.16 0.75 -4.32 4.82 1.74 -1.26 -4.22 116.66 114.00 1wot n ARG 71 Ca -0.17 0.26 -0.19 0.00 -0.77 0.00 0.00 57.85 56.98 1wot n ARG 71 Cb 0.64 -1.54 -0.15 0.00 -1.02 0.00 0.00 32.46 30.38 1wot n ARG 71 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1wot s VAL 72 N -0.78 0.68 -0.27 1.55 1.01 -1.26 -4.63 120.40 116.69 1wot s VAL 72 Ca 0.66 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 1wot s VAL 72 Cb -0.85 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 34.95 1wot s VAL 72 CO 0.57 0.22 -0.03 -0.62 0.00 0.00 0.00 175.10 175.24 1wot s ASP 73 N 0.24 4.61 -0.03 3.32 2.15 -1.08 -4.93 116.67 120.95 1wot s ASP 73 Ca -0.03 -1.05 -0.03 0.00 0.43 0.00 0.00 52.55 51.87 1wot s ASP 73 Cb -0.08 -1.69 -0.04 0.00 -0.30 0.00 0.00 42.92 40.80 1wot s ASP 73 CO 0.00 -0.19 0.13 -0.63 -0.17 0.00 0.00 175.17 174.32 1wot s ILE 74 N 1.30 5.17 0.01 4.11 1.01 -1.26 -1.79 121.20 129.74 1wot s ILE 74 Ca -0.02 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.48 1wot s ILE 74 Cb -0.18 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1wot s ILE 74 CO -0.03 0.39 -0.13 -0.69 0.00 0.00 0.00 174.94 174.48 1wot s VAL 75 N -1.22 1.05 -0.17 2.92 1.01 0.15 -4.89 120.40 119.26 1wot s VAL 75 Ca 0.23 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1wot s VAL 75 Cb -0.12 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1wot s VAL 75 CO 0.14 0.17 -0.06 -0.94 0.00 0.00 0.00 175.10 174.41 1wot s SER 76 N -0.66 4.42 0.26 3.32 1.04 -1.25 -0.26 113.70 120.57 1wot s SER 76 Ca 0.03 -0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.07 1wot s SER 76 Cb -0.06 -1.73 0.37 0.00 0.10 0.00 0.00 66.02 64.71 1wot s SER 76 CO 0.00 0.10 1.56 -0.33 0.98 0.00 0.00 173.24 175.55 1wot h GLU 77 N 7.25 -0.01 -1.08 4.02 5.08 -1.74 1.62 114.58 129.72 1wot h GLU 77 Ca -0.33 0.00 0.32 0.00 -1.00 0.00 0.00 59.36 58.35 1wot h GLU 77 Cb 1.19 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 1wot h GLU 77 CO 0.60 -0.00 0.66 -0.09 -1.00 0.00 0.00 179.01 179.17 1wot h ARG 78 N -0.01 0.31 -0.00 2.33 1.12 -1.95 0.65 114.38 116.84 1wot h ARG 78 Ca 0.42 -0.02 -0.25 0.00 -1.11 0.00 0.00 59.98 59.03 1wot h ARG 78 Cb 0.67 -0.07 0.01 0.00 -0.01 0.00 0.00 29.97 30.57 1wot h ARG 78 CO -0.99 0.21 -1.00 0.78 -3.11 0.00 0.00 179.97 175.86 1wot h GLY 79 N 0.32 0.66 -4.05 2.80 0.00 0.19 -3.45 103.07 99.55 1wot h GLY 79 Ca 0.71 -1.15 -0.53 0.00 0.00 0.00 0.00 47.33 46.36 1wot h GLY 79 CO -0.48 1.02 0.79 1.08 0.00 0.00 0.00 176.54 178.95 1wot s LEU 80 N -7.97 4.34 0.97 3.11 1.43 0.23 -4.97 118.68 115.82 1wot s LEU 80 Ca -0.08 2.97 -0.12 0.00 -1.03 0.00 0.00 54.13 55.87 1wot s LEU 80 Cb 0.08 -3.65 0.17 0.00 0.03 0.00 0.00 46.19 42.82 1wot s LEU 80 CO 0.90 -0.84 1.09 0.00 0.23 0.00 0.00 176.35 177.72 1wot s ALA 81 N -0.76 1.03 0.03 4.21 0.00 -1.26 -4.80 121.76 120.22 1wot s ALA 81 Ca 0.56 -0.15 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 1wot s ALA 81 Cb -0.46 -3.18 -0.21 0.00 0.00 0.00 0.00 23.12 19.26 1wot s ALA 81 CO 0.57 -2.77 1.16 -1.00 0.00 0.00 0.00 175.76 173.72 1wot h PRO 82 N -1.85 0.51 0.00 0.00 0.13 -1.93 0.21 132.00 129.06 1wot h PRO 82 Ca -0.53 -0.49 -0.11 0.00 -0.87 0.00 0.00 66.00 64.00 1wot h PRO 82 Cb 1.31 0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.55 1wot h PRO 82 CO 0.54 1.13 -0.53 0.07 -0.23 0.00 0.00 178.00 178.98 1wot h ARG 83 N 0.07 0.00 0.10 0.86 0.11 -2.02 -3.14 114.38 110.36 1wot h ARG 83 Ca -0.07 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.74 1wot h ARG 83 Cb 1.33 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.40 1wot h ARG 83 CO 0.13 0.53 -1.32 -0.07 0.10 0.00 0.00 179.97 179.35 1wot h LEU 84 N 0.00 0.32 -0.24 0.08 3.38 -1.93 -3.28 115.31 113.63 1wot h LEU 84 Ca -0.01 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.64 1wot h LEU 84 Cb 1.24 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 1wot h LEU 84 CO 0.07 1.31 -0.09 -0.09 0.09 0.00 0.00 178.44 179.72 1wot h ARG 85 N 0.06 -0.05 -0.81 1.13 2.43 -0.53 1.16 114.38 117.76 1wot h ARG 85 Ca -0.15 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.12 1wot h ARG 85 Cb 1.95 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 31.44 1wot h ARG 85 CO 0.17 -0.03 0.45 1.49 -1.51 0.00 0.00 179.97 180.54 1wot h GLU 86 N -0.05 0.72 -0.15 0.20 4.81 -1.65 0.80 114.58 119.25 1wot h GLU 86 Ca 0.12 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.13 1wot h GLU 86 Cb 0.24 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1wot h GLU 86 CO -0.28 0.47 -0.64 1.96 -0.73 0.00 0.00 179.01 179.79 1wot h GLN 87 N 0.74 0.55 -0.02 1.92 4.20 -1.29 -2.24 115.11 118.98 1wot h GLN 87 Ca 0.40 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1wot h GLN 87 Cb 0.40 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1wot h GLN 87 CO -0.27 1.02 0.00 0.28 -0.67 0.00 0.00 178.83 179.19 1wot h VAL 88 N 0.40 1.23 -0.84 -0.54 2.07 0.28 -2.71 116.25 116.14 1wot h VAL 88 Ca -0.01 -0.67 0.09 0.00 0.82 0.00 0.00 66.70 66.92 1wot h VAL 88 Cb 1.21 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 32.57 1wot h VAL 88 CO 0.12 0.18 0.55 -0.07 0.02 0.00 0.00 177.57 178.37 1wot h LEU 89 N -0.24 0.75 -2.02 2.57 3.38 0.54 1.82 115.31 122.10 1wot h LEU 89 Ca 0.01 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1wot h LEU 89 Cb 0.29 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1wot h LEU 89 CO 0.00 0.45 0.38 0.03 0.09 0.00 0.00 178.44 179.39 1wot h ARG 90 N 0.83 0.00 0.00 1.13 3.08 -1.07 -1.74 114.38 116.62 1wot h ARG 90 Ca 0.38 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.32 1wot h ARG 90 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1wot h ARG 90 CO -0.15 0.00 -1.42 0.39 -1.07 0.00 0.00 179.97 177.71 1wot n GLU 91 N -3.44 2.95 -1.68 0.04 -0.58 0.90 -4.99 120.64 113.84 1wot n GLU 91 Ca 0.03 -0.00 -0.49 0.00 -0.42 0.00 0.00 57.16 56.28 1wot n GLU 91 Cb 0.50 -1.16 -0.05 0.00 -0.57 0.00 0.00 31.44 30.16 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 -2.22 0.83 -2.52 0.62 0.00 0.58 -4.44 120.51 113.36 1wot n ALA 92 Ca -0.10 0.31 -0.24 0.00 0.00 0.00 0.00 53.44 53.40 1wot n ALA 92 Cb 0.70 -2.46 -0.13 0.00 0.00 0.00 0.00 19.45 17.55 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 3.73 1.66 -0.24 0.00 -4.36 -0.05 -4.84 121.20 117.10 1wot s ILE 93 Ca 0.92 -1.36 -0.29 0.00 -0.26 0.00 0.00 60.65 59.66 1wot s ILE 93 Cb -0.72 -1.48 -0.01 0.00 1.25 0.00 0.00 42.46 41.51 1wot s ILE 93 CO 0.51 0.06 1.32 -2.16 0.24 0.00 0.00 174.94 174.92 1wot s PRO 94 N -1.53 4.02 0.00 0.37 0.04 -1.26 -0.99 135.00 135.64 1wot s PRO 94 Ca 0.07 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1wot s PRO 94 Cb -0.09 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1wot s PRO 94 CO 0.03 -0.99 0.47 -0.11 0.04 0.00 0.00 177.00 176.44