#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 0.34 -0.24 1.61 1.04 -1.26 -4.49 113.70 110.70 1wot s SER -1 Ca 0.00 -1.48 -0.09 0.00 0.48 0.00 0.00 55.95 54.86 1wot s SER -1 Cb 0.00 0.94 0.10 0.00 0.10 0.00 0.00 66.02 67.16 1wot s SER -1 CO 0.00 -0.22 0.53 -1.00 0.98 0.00 0.00 173.24 173.53 1wot s HIS 0 N 1.42 -0.99 0.22 5.02 3.76 -1.26 -5.12 115.29 118.33 1wot s HIS 0 Ca 0.18 1.84 -0.17 0.00 -0.15 0.00 0.00 55.06 56.76 1wot s HIS 0 Cb -0.11 0.51 0.02 0.00 1.11 0.00 0.00 32.58 34.11 1wot s HIS 0 CO -0.04 -0.53 0.55 0.00 -0.85 0.00 0.00 174.74 173.87 1wot s MET 1 N 2.44 1.47 0.12 1.40 0.00 -1.26 -4.91 119.30 118.57 1wot s MET 1 Ca -0.05 -0.94 -0.11 0.00 0.00 0.00 0.00 55.69 54.59 1wot s MET 1 Cb -0.11 0.53 0.01 0.00 0.00 0.00 0.00 34.83 35.26 1wot s MET 1 CO -0.16 -0.63 0.28 -0.51 0.00 0.00 0.00 175.02 174.00 1wot s ASP 2 N -2.90 -0.00 0.20 -1.18 1.11 -1.26 -5.02 116.67 107.62 1wot s ASP 2 Ca 0.11 -0.63 -0.11 0.00 0.18 0.00 0.00 52.55 52.11 1wot s ASP 2 Cb -0.02 0.41 0.19 0.00 1.07 0.00 0.00 42.92 44.57 1wot s ASP 2 CO 0.00 -0.82 1.82 -0.07 1.18 0.00 0.00 175.17 177.28 1wot h LEU 3 N 2.57 0.57 -0.48 1.23 -0.00 -1.99 0.13 115.31 117.34 1wot h LEU 3 Ca -0.33 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.56 1wot h LEU 3 Cb 1.22 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.76 1wot h LEU 3 CO 0.51 0.38 0.28 -0.33 -0.00 0.00 0.00 178.44 179.28 1wot h GLU 4 N 0.70 0.66 -0.41 1.13 5.08 -2.00 -2.03 114.58 117.70 1wot h GLU 4 Ca 0.27 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1wot h GLU 4 Cb 0.11 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1wot h GLU 4 CO -0.14 0.49 0.14 1.15 -1.00 0.00 0.00 179.01 179.65 1wot h THR 5 N 0.63 1.17 -0.64 1.13 2.02 -1.74 -0.94 112.91 114.54 1wot h THR 5 Ca 0.17 -0.56 0.05 0.00 0.77 0.00 0.00 66.41 66.84 1wot h THR 5 Cb 0.01 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 1wot h THR 5 CO -0.03 0.21 0.36 -0.07 0.37 0.00 0.00 175.52 176.36 1wot h LEU 6 N 0.59 0.54 -0.56 2.58 -0.00 -0.04 0.72 115.31 119.15 1wot h LEU 6 Ca 0.14 0.02 -0.15 0.00 -0.00 0.00 0.00 57.88 57.89 1wot h LEU 6 Cb 0.16 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 1wot h LEU 6 CO -0.01 0.36 -0.53 0.03 -0.00 0.00 0.00 178.44 178.29 1wot h ARG 7 N 0.68 0.52 0.09 1.13 2.47 -1.05 0.47 114.38 118.69 1wot h ARG 7 Ca 0.28 -0.32 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1wot h ARG 7 Cb 0.14 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1wot h ARG 7 CO -0.16 0.92 -0.04 0.00 0.56 0.00 0.00 179.97 181.25 1wot h ALA 8 N 1.02 -0.12 -0.03 0.04 0.00 -0.07 -2.53 119.26 117.57 1wot h ALA 8 Ca 0.01 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1wot h ALA 8 Cb 1.06 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1wot h ALA 8 CO 0.10 -0.43 -0.50 0.07 0.00 0.00 0.00 179.25 178.48 1wot h ARG 9 N -0.38 0.08 -0.83 0.00 -0.00 0.43 -2.97 114.38 110.71 1wot h ARG 9 Ca -0.01 -0.05 0.09 0.00 -0.00 0.00 0.00 59.98 60.01 1wot h ARG 9 Cb 0.33 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 30.23 1wot h ARG 9 CO 0.02 0.57 0.48 -0.09 -0.00 0.00 0.00 179.97 180.95 1wot h ARG 10 N 0.07 0.80 -0.38 0.08 9.65 0.12 1.50 114.38 126.22 1wot h ARG 10 Ca -0.00 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.85 1wot h ARG 10 Cb 0.92 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 29.29 1wot h ARG 10 CO 0.07 0.53 0.22 0.93 2.80 0.00 0.00 179.97 184.52 1wot h GLU 11 N 0.82 0.43 -0.15 0.20 5.08 -1.29 1.41 114.58 121.08 1wot h GLU 11 Ca 0.39 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.53 1wot h GLU 11 Cb 0.32 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1wot h GLU 11 CO -0.23 0.29 -0.70 0.00 -1.00 0.00 0.00 179.01 177.37 1wot h ALA 12 N 1.17 0.49 -0.44 3.43 0.00 -1.31 -2.74 119.26 119.86 1wot h ALA 12 Ca 0.15 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1wot h ALA 12 Cb 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1wot h ALA 12 CO -0.08 0.71 -0.07 0.28 0.00 0.00 0.00 179.25 180.09 1wot h VAL 13 N 0.45 1.25 -0.71 0.00 2.07 0.26 -0.09 116.25 119.49 1wot h VAL 13 Ca -0.03 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1wot h VAL 13 Cb 1.29 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1wot h VAL 13 CO 0.14 0.38 0.44 -0.07 0.02 0.00 0.00 177.57 178.48 1wot h LEU 14 N 0.70 0.83 -0.76 2.57 -0.00 0.20 1.85 115.31 120.71 1wot h LEU 14 Ca 0.13 -0.04 -0.13 0.00 -0.00 0.00 0.00 57.88 57.83 1wot h LEU 14 Cb 0.54 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.98 1wot h LEU 14 CO 0.03 0.63 -0.47 -1.28 -0.00 0.00 0.00 178.44 177.35 1wot h SER 15 N 0.96 0.38 -0.02 -0.43 0.87 -1.15 -1.57 113.55 112.58 1wot h SER 15 Ca 0.26 -0.18 -0.20 0.00 -1.23 0.00 0.00 61.79 60.44 1wot h SER 15 Cb -0.07 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1wot h SER 15 CO -0.05 0.80 -0.76 0.25 -0.53 0.00 0.00 176.83 176.54 1wot h LEU 16 N 0.28 0.70 -0.78 2.23 6.46 -0.11 -2.93 115.31 121.17 1wot h LEU 16 Ca 0.02 -0.73 0.05 0.00 -0.12 0.00 0.00 57.88 57.10 1wot h LEU 16 Cb 0.94 -0.21 -0.06 0.00 -0.73 0.00 0.00 40.66 40.60 1wot h LEU 16 CO 0.08 1.34 0.47 0.00 -0.62 0.00 0.00 178.44 179.71 1wot h ALA 18 N 1.37 1.83 0.00 0.00 0.00 -0.96 0.90 119.26 122.39 1wot h ALA 18 Ca 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1wot h ALA 18 Cb 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wot h ALA 18 CO -0.16 0.12 -0.00 0.00 0.00 0.00 0.00 179.25 179.21 1wot h ARG 19 N 0.45 0.00 -0.02 0.00 3.08 -0.51 -2.23 114.38 115.15 1wot h ARG 19 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1wot h ARG 19 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1wot h ARG 19 CO -0.04 0.00 -0.40 0.72 -1.07 0.00 0.00 179.97 179.19 1wot n HIS 20 N -3.10 0.00 0.00 3.04 8.25 0.95 -4.93 115.22 119.43 1wot n HIS 20 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1wot n HIS 20 Cb 0.36 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 1.40 1.27 3.72 -1.41 0.00 0.16 -4.70 105.19 105.63 1wot n GLY 21 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.26 3.88 0.00 4.61 0.00 0.27 0.19 121.76 128.46 1wot s ALA 22 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1wot s ALA 22 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1wot s ALA 22 CO 0.00 -0.87 0.00 1.33 0.00 0.00 0.00 175.76 176.22 1wot n VAL 23 N 3.98 0.00 -1.25 0.00 0.24 0.97 -2.48 118.33 119.80 1wot n VAL 23 Ca 0.15 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 62.08 1wot n VAL 23 Cb 0.36 -0.99 -0.03 0.00 -1.47 0.00 0.00 33.84 31.72 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 -2.74 3.47 -2.46 7.34 1.74 -1.25 -4.87 116.66 117.89 1wot n ARG 24 Ca 0.00 -2.11 -0.41 0.00 -0.77 0.00 0.00 57.85 54.56 1wot n ARG 24 Cb 0.25 -2.77 -0.03 0.00 -1.02 0.00 0.00 32.46 28.89 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 2.36 3.71 0.05 1.55 1.01 -1.26 -3.73 120.40 124.09 1wot s VAL 25 Ca 0.65 0.47 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1wot s VAL 25 Cb 0.17 -4.70 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 1wot s VAL 25 CO -0.06 -1.58 -0.05 -0.13 0.00 0.00 0.00 175.10 173.29 1wot s ARG 26 N 5.81 0.59 -0.27 2.72 0.52 -1.00 -4.08 118.95 123.25 1wot s ARG 26 Ca 0.43 -1.05 -0.10 0.00 -0.52 0.00 0.00 55.73 54.49 1wot s ARG 26 Cb -0.09 0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.35 1wot s ARG 26 CO 0.18 -0.05 0.15 0.08 0.02 0.00 0.00 175.30 175.68 1wot s VAL 27 N -2.95 4.95 -0.07 3.52 1.01 -0.80 -2.38 120.40 123.68 1wot s VAL 27 Ca 0.01 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1wot s VAL 27 Cb 0.01 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1wot s VAL 27 CO -0.05 0.28 -0.18 0.72 0.00 0.00 0.00 175.10 175.86 1wot s PHE 28 N 1.71 1.95 0.00 5.22 -0.12 -1.24 -0.97 117.98 124.52 1wot s PHE 28 Ca 0.07 -0.72 0.00 0.00 -0.05 0.00 0.00 56.93 56.23 1wot s PHE 28 Cb -0.16 -1.34 0.00 0.00 -0.63 0.00 0.00 43.02 40.89 1wot s PHE 28 CO 0.08 -0.31 0.00 0.41 -0.05 0.00 0.00 175.22 175.36 1wot n GLY 29 N 3.54 0.14 0.14 1.99 0.00 -1.26 -4.53 105.19 105.21 1wot n GLY 29 Ca -0.20 -2.18 -0.03 0.00 0.00 0.00 0.00 46.02 43.61 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 0.09 -0.78 1.61 0.02 -1.94 -3.03 113.55 109.52 1wot h SER 30 Ca 0.00 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1wot h SER 30 Cb 0.00 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 1wot h SER 30 CO 0.00 0.70 0.49 -0.37 -1.14 0.00 0.00 176.83 176.51 1wot h VAL 31 N 0.06 1.08 -0.91 2.27 -1.51 -1.70 0.17 116.25 115.70 1wot h VAL 31 Ca -0.01 -0.32 0.17 0.00 -1.23 0.00 0.00 66.70 65.31 1wot h VAL 31 Cb 1.12 0.07 -0.07 0.00 -2.13 0.00 0.00 31.29 30.28 1wot h VAL 31 CO 0.09 0.17 0.59 0.00 -1.23 0.00 0.00 177.57 177.18 1wot h ALA 32 N 1.35 1.93 0.00 5.19 0.00 -1.77 0.85 119.26 126.81 1wot h ALA 32 Ca 0.32 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1wot h ALA 32 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wot h ALA 32 CO -0.14 -0.21 -0.04 0.00 0.00 0.00 0.00 179.25 178.87 1wot h ARG 33 N 0.61 0.00 0.00 0.00 2.47 -1.09 -3.47 114.38 112.89 1wot h ARG 33 Ca 0.47 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.19 1wot h ARG 33 Cb 0.89 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 1wot h ARG 33 CO -0.22 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.72 1wot n GLY 34 N 1.17 1.67 3.21 0.04 0.00 0.29 -5.11 105.19 106.47 1wot n GLY 34 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.55 3.11 -0.32 1.61 0.41 0.39 -4.94 118.70 118.40 1wot s GLU 35 Ca 0.00 -0.81 -0.09 0.00 -0.41 0.00 0.00 54.97 53.67 1wot s GLU 35 Cb 0.00 -2.52 0.21 0.00 -1.78 0.00 0.00 34.13 30.04 1wot s GLU 35 CO 0.00 -0.01 1.13 0.00 -0.49 0.00 0.00 175.26 175.89 1wot s ALA 36 N 0.83 -4.71 1.01 5.21 0.00 -1.26 -2.20 121.76 120.64 1wot s ALA 36 Ca -0.06 0.80 -0.14 0.00 0.00 0.00 0.00 51.96 52.56 1wot s ALA 36 Cb -0.15 -3.02 0.17 0.00 0.00 0.00 0.00 23.12 20.12 1wot s ALA 36 CO -0.01 -2.55 0.33 2.89 0.00 0.00 0.00 175.76 176.42 1wot n ARG 37 N 2.73 -2.31 0.09 0.00 1.85 -1.26 -4.80 116.66 112.96 1wot n ARG 37 Ca 0.10 -0.68 0.12 0.00 -1.00 0.00 0.00 57.85 56.39 1wot n ARG 37 Cb 0.65 -1.48 0.45 0.00 -1.05 0.00 0.00 32.46 31.04 1wot n ARG 37 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1wot n GLU 38 N -1.82 0.20 -1.68 2.89 0.28 -1.26 -2.95 120.64 116.31 1wot n GLU 38 Ca 0.06 0.25 -0.28 0.00 -0.16 0.00 0.00 57.16 57.03 1wot n GLU 38 Cb 0.35 -1.77 0.05 0.00 1.43 0.00 0.00 31.44 31.51 1wot n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1wot n ASP 39 N -2.12 5.93 -4.14 -1.84 2.03 -1.26 -4.98 116.55 110.16 1wot n ASP 39 Ca 0.05 -3.77 -0.11 0.00 0.52 0.00 0.00 54.79 51.48 1wot n ASP 39 Cb 0.35 -0.62 -0.09 0.00 -0.72 0.00 0.00 41.12 40.04 1wot n ASP 39 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1wot s SER 40 N -2.82 0.10 0.55 1.67 0.01 -1.15 -5.18 113.70 106.88 1wot s SER 40 Ca 0.56 -1.26 0.06 0.00 1.31 0.00 0.00 55.95 56.62 1wot s SER 40 Cb 0.45 0.42 0.05 0.00 0.21 0.00 0.00 66.02 67.15 1wot s SER 40 CO 0.02 -0.90 0.47 1.51 0.41 0.00 0.00 173.24 174.74 1wot s ASP 41 N -3.12 4.69 -0.24 2.44 -4.77 -1.26 -4.85 116.67 109.57 1wot s ASP 41 Ca 0.34 -1.20 -0.02 0.00 -3.30 0.00 0.00 52.55 48.37 1wot s ASP 41 Cb 0.05 0.44 0.02 0.00 -1.09 0.00 0.00 42.92 42.34 1wot s ASP 41 CO 0.10 -1.16 -0.07 -0.22 0.70 0.00 0.00 175.17 174.52 1wot s LEU 42 N -4.35 3.01 -0.26 2.11 1.98 -1.26 -4.89 118.68 115.02 1wot s LEU 42 Ca 0.38 -0.76 -0.20 0.00 -2.89 0.00 0.00 54.13 50.66 1wot s LEU 42 Cb -0.03 -1.66 -0.02 0.00 0.66 0.00 0.00 46.19 45.15 1wot s LEU 42 CO 0.24 -0.09 0.62 -1.81 -1.89 0.00 0.00 176.35 173.42 1wot s ASP 43 N 1.35 6.56 -0.05 3.68 1.01 -1.26 -0.63 116.67 127.33 1wot s ASP 43 Ca 0.02 0.68 -0.00 0.00 0.71 0.00 0.00 52.55 53.96 1wot s ASP 43 Cb -0.16 -2.33 0.03 0.00 1.01 0.00 0.00 42.92 41.46 1wot s ASP 43 CO -0.05 -0.37 -0.01 -0.22 0.21 0.00 0.00 175.17 174.72 1wot s LEU 44 N 2.50 0.95 -0.37 1.23 2.96 -0.63 -3.74 118.68 121.59 1wot s LEU 44 Ca 0.26 -0.09 -0.14 0.00 -0.22 0.00 0.00 54.13 53.94 1wot s LEU 44 Cb -0.15 -0.40 -0.00 0.00 0.50 0.00 0.00 46.19 46.13 1wot s LEU 44 CO 0.09 -0.13 0.29 -0.22 -1.32 0.00 0.00 176.35 175.06 1wot s LEU 45 N 1.43 4.69 0.16 -0.68 2.96 -1.00 0.17 118.68 126.41 1wot s LEU 45 Ca -0.03 -0.54 0.06 0.00 -0.22 0.00 0.00 54.13 53.40 1wot s LEU 45 Cb -0.13 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 1wot s LEU 45 CO -0.03 -0.34 -0.13 0.68 -1.32 0.00 0.00 176.35 175.22 1wot s VAL 46 N 1.79 1.42 -0.13 1.68 -7.23 0.13 -2.36 120.40 115.70 1wot s VAL 46 Ca 0.07 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1wot s VAL 46 Cb -0.18 -1.84 0.02 0.00 0.56 0.00 0.00 36.38 34.95 1wot s VAL 46 CO 0.11 -0.61 -0.11 0.00 -0.31 0.00 0.00 175.10 174.18 1wot s ALA 47 N -2.90 1.56 -0.16 1.32 0.00 -1.25 -2.51 121.76 117.82 1wot s ALA 47 Ca 0.17 -0.70 -0.21 0.00 0.00 0.00 0.00 51.96 51.22 1wot s ALA 47 Cb -0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1wot s ALA 47 CO 0.03 -0.36 0.65 -0.06 0.00 0.00 0.00 175.76 176.02 1wot s PHE 48 N 1.53 3.43 0.46 0.00 0.40 -1.25 -0.02 117.98 122.54 1wot s PHE 48 Ca 0.03 1.02 0.03 0.00 -0.60 0.00 0.00 56.93 57.41 1wot s PHE 48 Cb -0.13 -2.79 -0.02 0.00 0.51 0.00 0.00 43.02 40.58 1wot s PHE 48 CO -0.08 -0.09 0.06 -1.83 0.70 0.00 0.00 175.22 173.97 1wot s GLU 49 N 1.58 2.06 3.91 0.44 4.04 0.51 -4.88 118.70 126.36 1wot s GLU 49 Ca 0.31 -2.28 0.00 0.00 0.04 0.00 0.00 54.97 53.04 1wot s GLU 49 Cb -0.16 -1.11 0.00 0.00 0.02 0.00 0.00 34.13 32.88 1wot s GLU 49 CO 0.12 -0.40 0.00 -1.91 -1.84 0.00 0.00 175.26 171.23 1wot n GLU 50 N -1.08 0.00 -2.92 -4.83 2.13 -1.26 -4.02 120.64 108.66 1wot n GLU 50 Ca -0.12 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.26 1wot n GLU 50 Cb 0.66 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.38 1wot n GLU 50 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wot n GLY 51 N 0.00 4.75 3.70 8.31 0.00 -1.26 -4.99 105.19 115.70 1wot n GLY 51 Ca 0.00 -2.48 -0.27 0.00 0.00 0.00 0.00 46.02 43.28 1wot n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wot s ARG 52 N -1.46 2.55 0.31 1.61 1.04 -1.26 -4.99 118.95 116.75 1wot s ARG 52 Ca 0.34 -1.03 0.03 0.00 -1.04 0.00 0.00 55.73 54.03 1wot s ARG 52 Cb 0.02 -2.45 -0.04 0.00 -2.04 0.00 0.00 34.95 30.45 1wot s ARG 52 CO 0.04 0.47 0.15 0.95 -0.04 0.00 0.00 175.30 176.86 1wot s THR 53 N -1.71 0.43 0.40 4.99 -4.23 -1.26 -5.03 115.64 109.22 1wot s THR 53 Ca 0.28 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.85 1wot s THR 53 Cb -0.10 -2.52 0.26 0.00 1.34 0.00 0.00 72.50 71.48 1wot s THR 53 CO 0.20 0.00 2.04 -0.07 -0.54 0.00 0.00 174.62 176.25 1wot h LEU 54 N 2.18 0.51 -0.87 4.79 -0.00 -1.98 -0.89 115.31 119.05 1wot h LEU 54 Ca -0.34 -0.02 0.10 0.00 -0.00 0.00 0.00 57.88 57.62 1wot h LEU 54 Cb 1.25 -0.13 -0.08 0.00 -0.00 0.00 0.00 40.66 41.71 1wot h LEU 54 CO 0.54 0.38 0.51 -0.07 -0.00 0.00 0.00 178.44 179.80 1wot h LEU 55 N 0.60 0.73 -0.48 1.67 3.38 -1.99 0.26 115.31 119.49 1wot h LEU 55 Ca 0.16 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 1wot h LEU 55 Cb -0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1wot h LEU 55 CO -0.03 0.41 -0.51 0.44 0.09 0.00 0.00 178.44 178.84 1wot h ASP 56 N 0.84 0.74 0.15 -0.43 5.19 -1.56 -1.42 116.42 119.93 1wot h ASP 56 Ca 0.42 -0.38 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1wot h ASP 56 Cb 0.39 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 1wot h ASP 56 CO -0.25 1.11 -0.11 0.45 -3.12 0.00 0.00 179.24 177.32 1wot h HIS 57 N 0.53 -0.29 -0.79 4.55 3.86 -0.11 1.17 115.15 124.06 1wot h HIS 57 Ca 0.02 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1wot h HIS 57 Cb 1.06 0.11 -0.04 0.00 1.06 0.00 0.00 27.41 29.60 1wot h HIS 57 CO 0.05 -0.18 0.46 0.00 0.86 0.00 0.00 177.93 179.13 1wot h ALA 58 N 0.56 1.32 -0.16 2.45 0.00 -0.55 -0.66 119.26 122.21 1wot h ALA 58 Ca -0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1wot h ALA 58 Cb 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1wot h ALA 58 CO -0.00 0.57 -0.42 0.00 0.00 0.00 0.00 179.25 179.40 1wot h ARG 59 N 1.10 0.39 -0.12 0.00 2.47 -0.57 -0.67 114.38 116.97 1wot h ARG 59 Ca 0.28 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1wot h ARG 59 Cb -0.02 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1wot h ARG 59 CO -0.05 0.74 0.03 1.25 0.56 0.00 0.00 179.97 182.50 1wot h LEU 60 N 0.32 0.18 -0.36 3.04 6.46 0.25 1.35 115.31 126.55 1wot h LEU 60 Ca 0.03 -0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1wot h LEU 60 Cb 0.88 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.75 1wot h LEU 60 CO 0.07 0.37 0.17 0.50 -0.62 0.00 0.00 178.44 178.93 1wot h LYS 61 N -0.01 0.52 -0.09 1.25 3.11 -1.06 0.72 116.57 121.01 1wot h LYS 61 Ca 0.04 -0.08 -0.09 0.00 -2.81 0.00 0.00 60.65 57.71 1wot h LYS 61 Cb 0.26 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 1wot h LYS 61 CO 0.00 0.47 -0.34 1.37 -2.81 0.00 0.00 179.45 178.14 1wot h LEU 62 N 0.44 0.18 -0.12 5.20 8.10 -0.96 -0.54 115.31 127.60 1wot h LEU 62 Ca 0.12 -0.06 -0.08 0.00 0.11 0.00 0.00 57.88 57.97 1wot h LEU 62 Cb 0.13 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.30 1wot h LEU 62 CO -0.01 0.52 -0.23 0.00 -4.11 0.00 0.00 178.44 174.60 1wot h ALA 63 N 1.50 0.19 -0.77 0.17 0.00 0.25 -0.95 119.26 119.65 1wot h ALA 63 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1wot h ALA 63 Cb 0.69 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1wot h ALA 63 CO 0.05 0.16 0.50 -0.07 0.00 0.00 0.00 179.25 179.89 1wot h LEU 64 N -0.05 0.90 -1.42 0.00 3.38 0.67 -0.29 115.31 118.50 1wot h LEU 64 Ca 0.00 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1wot h LEU 64 Cb 0.82 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1wot h LEU 64 CO 0.05 0.67 -0.26 -0.33 0.09 0.00 0.00 178.44 178.66 1wot h GLU 65 N 1.05 0.00 -0.01 1.13 5.08 -1.05 -0.88 114.58 119.90 1wot h GLU 65 Ca 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1wot h GLU 65 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1wot h GLU 65 CO -0.06 0.26 -0.03 0.78 -1.00 0.00 0.00 179.01 178.96 1wot h GLY 66 N 1.29 0.05 0.91 -3.84 0.00 0.31 2.01 103.07 103.81 1wot h GLY 66 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1wot h GLY 66 CO 0.03 0.06 0.10 1.41 0.00 0.00 0.00 176.54 178.15 1wot h LEU 67 N -0.52 0.44 -0.21 3.11 3.38 -0.99 -1.91 115.31 118.60 1wot h LEU 67 Ca -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1wot h LEU 67 Cb 0.63 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1wot h LEU 67 CO 0.01 0.51 -0.15 0.18 0.09 0.00 0.00 178.44 179.08 1wot n LEU 68 N -4.71 0.48 -1.53 1.67 4.77 -0.35 -4.88 117.00 112.45 1wot n LEU 68 Ca -0.02 0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 55.94 1wot n LEU 68 Cb 0.16 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1wot n LEU 68 CO 0.36 0.09 -0.06 0.61 -1.33 0.00 0.00 177.39 177.07 1wot n GLY 69 N 1.32 0.22 1.95 -0.72 0.00 0.67 -4.66 105.19 103.97 1wot n GLY 69 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.79 0.00 -2.70 1.61 0.24 -0.31 -4.07 118.33 111.30 1wot n VAL 70 Ca -0.06 -1.42 -0.42 0.00 -2.04 0.00 0.00 64.34 60.41 1wot n VAL 70 Cb 0.28 0.59 -0.03 0.00 -1.47 0.00 0.00 33.84 33.21 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 -2.87 4.57 -0.02 7.34 0.52 -1.26 -4.19 118.95 123.03 1wot s ARG 71 Ca 0.17 1.43 0.02 0.00 -0.52 0.00 0.00 55.73 56.83 1wot s ARG 71 Cb 0.01 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 32.03 1wot s ARG 71 CO 0.12 -0.03 -0.08 0.08 0.02 0.00 0.00 175.30 175.41 1wot s VAL 72 N 0.92 0.68 -0.28 3.52 1.01 -1.26 -4.33 120.40 120.65 1wot s VAL 72 Ca 0.52 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 1wot s VAL 72 Cb -0.21 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.61 1wot s VAL 72 CO 0.28 0.21 -0.02 -0.62 0.00 0.00 0.00 175.10 174.95 1wot s ASP 73 N 0.13 4.72 0.00 3.32 -1.08 0.20 -4.88 116.67 119.08 1wot s ASP 73 Ca -0.02 -1.17 -0.07 0.00 -0.52 0.00 0.00 52.55 50.77 1wot s ASP 73 Cb -0.07 -1.69 -0.05 0.00 -1.46 0.00 0.00 42.92 39.65 1wot s ASP 73 CO 0.00 -0.22 0.27 -0.63 0.52 0.00 0.00 175.17 175.11 1wot s ILE 74 N 1.27 5.29 0.04 4.11 1.01 -1.26 -1.60 121.20 130.06 1wot s ILE 74 Ca -0.04 0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.91 1wot s ILE 74 Cb -0.19 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1wot s ILE 74 CO -0.02 0.40 -0.20 -0.69 0.00 0.00 0.00 174.94 174.43 1wot s VAL 75 N -1.27 1.57 -0.14 2.92 1.01 0.44 -4.89 120.40 120.06 1wot s VAL 75 Ca 0.26 -1.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 1wot s VAL 75 Cb -0.13 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1wot s VAL 75 CO 0.15 0.19 -0.05 -0.94 0.00 0.00 0.00 175.10 174.45 1wot s SER 76 N -1.12 4.73 0.25 3.32 1.04 -1.25 0.20 113.70 120.85 1wot s SER 76 Ca 0.07 -0.12 -0.05 0.00 0.48 0.00 0.00 55.95 56.33 1wot s SER 76 Cb -0.09 -1.66 0.47 0.00 0.10 0.00 0.00 66.02 64.84 1wot s SER 76 CO 0.02 0.21 1.67 -0.33 0.98 0.00 0.00 173.24 175.79 1wot h GLU 77 N 6.41 0.22 -0.17 4.02 5.08 -1.88 0.33 114.58 128.60 1wot h GLU 77 Ca -0.34 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1wot h GLU 77 Cb 1.19 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1wot h GLU 77 CO 0.60 0.15 0.11 -0.09 -1.00 0.00 0.00 179.01 178.78 1wot h ARG 78 N 0.23 0.22 0.00 2.33 1.12 -1.95 -0.38 114.38 115.95 1wot h ARG 78 Ca 0.42 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.28 1wot h ARG 78 Cb 0.74 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.65 1wot h ARG 78 CO -0.55 0.14 0.00 0.41 -3.11 0.00 0.00 179.97 176.87 1wot n GLY 79 N -1.14 -0.78 3.89 2.80 0.00 0.16 -4.73 105.19 105.40 1wot n GLY 79 Ca -0.04 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1wot n GLY 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wot n LEU 80 N -1.24 0.00 -4.93 0.99 4.77 0.94 -4.90 117.00 112.64 1wot n LEU 80 Ca 0.09 -1.90 -0.20 0.00 -0.03 0.00 0.00 56.01 53.97 1wot n LEU 80 Cb 0.12 -0.78 -0.02 0.00 -2.33 0.00 0.00 43.42 40.41 1wot n LEU 80 CO 0.12 -1.15 -0.01 0.00 -1.33 0.00 0.00 177.39 175.02 1wot s ALA 81 N -3.45 4.03 0.00 -1.18 0.00 -1.26 -4.93 121.76 114.97 1wot s ALA 81 Ca 0.70 -1.51 -0.20 0.00 0.00 0.00 0.00 51.96 50.95 1wot s ALA 81 Cb -0.03 -1.48 -0.22 0.00 0.00 0.00 0.00 23.12 21.39 1wot s ALA 81 CO 0.47 0.02 1.13 -1.00 0.00 0.00 0.00 175.76 176.38 1wot h PRO 82 N 1.08 0.39 0.00 0.00 0.13 -1.96 0.61 132.00 132.25 1wot h PRO 82 Ca -0.46 -0.38 -0.10 0.00 -0.87 0.00 0.00 66.00 64.19 1wot h PRO 82 Cb 1.25 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1wot h PRO 82 CO 0.56 1.04 -0.49 0.07 -0.23 0.00 0.00 178.00 178.95 1wot h ARG 83 N -0.13 0.00 0.02 0.86 0.11 -1.99 -2.75 114.38 110.50 1wot h ARG 83 Ca -0.05 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.92 1wot h ARG 83 Cb 1.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 1wot h ARG 83 CO 0.10 0.49 -0.55 1.25 0.10 0.00 0.00 179.97 181.36 1wot h LEU 84 N 0.00 0.07 -0.28 0.08 5.85 -1.97 -3.13 115.31 115.94 1wot h LEU 84 Ca -0.00 -0.84 0.06 0.00 0.84 0.00 0.00 57.88 57.93 1wot h LEU 84 Cb 1.34 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.28 1wot h LEU 84 CO 0.06 1.23 -0.12 -0.09 -0.34 0.00 0.00 178.44 179.18 1wot h ARG 85 N -0.89 -0.08 -0.84 1.25 2.43 0.15 1.06 114.38 117.47 1wot h ARG 85 Ca -0.14 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.14 1wot h ARG 85 Cb 1.21 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.70 1wot h ARG 85 CO -0.04 -0.05 0.47 1.49 -1.51 0.00 0.00 179.97 180.33 1wot h GLU 86 N -0.08 0.75 -0.20 0.20 4.81 -1.64 0.37 114.58 118.80 1wot h GLU 86 Ca 0.14 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.16 1wot h GLU 86 Cb 0.30 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1wot h GLU 86 CO -0.33 0.50 -0.58 1.96 -0.73 0.00 0.00 179.01 179.83 1wot h GLN 87 N 0.78 0.62 -0.73 1.92 4.20 -1.10 -2.95 115.11 117.85 1wot h GLN 87 Ca 0.41 -0.41 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1wot h GLN 87 Cb 0.41 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 1wot h GLN 87 CO -0.26 1.02 0.48 0.28 -0.67 0.00 0.00 178.83 179.68 1wot h VAL 88 N 0.47 1.15 -0.64 -0.54 2.07 0.27 -1.33 116.25 117.70 1wot h VAL 88 Ca 0.00 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.27 1wot h VAL 88 Cb 1.14 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1wot h VAL 88 CO 0.11 0.17 0.33 -0.07 0.02 0.00 0.00 177.57 178.13 1wot h LEU 89 N 0.94 0.45 -1.99 2.57 3.38 -0.82 1.80 115.31 121.64 1wot h LEU 89 Ca 0.28 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.36 1wot h LEU 89 Cb -0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1wot h LEU 89 CO -0.07 0.29 0.39 0.03 0.09 0.00 0.00 178.44 179.16 1wot h ARG 90 N 0.60 0.00 0.00 1.13 3.08 -1.25 -2.13 114.38 115.81 1wot h ARG 90 Ca 0.30 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.98 1wot h ARG 90 Cb 0.25 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 1wot h ARG 90 CO -0.22 0.00 -2.29 0.39 -1.07 0.00 0.00 179.97 176.79 1wot n GLU 91 N -3.38 0.52 -1.44 0.04 -0.58 0.90 -4.98 120.64 111.72 1wot n GLU 91 Ca 0.03 0.18 -0.56 0.00 -0.42 0.00 0.00 57.16 56.39 1wot n GLU 91 Cb 0.51 -1.38 -0.07 0.00 -0.57 0.00 0.00 31.44 29.92 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 -3.67 -3.50 -3.88 0.62 0.00 0.58 -4.56 120.51 106.10 1wot n ALA 92 Ca -0.43 0.57 -0.28 0.00 0.00 0.00 0.00 53.44 53.30 1wot n ALA 92 Cb 0.87 -1.69 -0.17 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.06 1.24 -0.30 0.00 -4.36 -0.14 -4.82 121.20 112.75 1wot s ILE 93 Ca 0.86 -0.44 -0.29 0.00 -0.26 0.00 0.00 60.65 60.52 1wot s ILE 93 Cb -1.20 -1.20 -0.00 0.00 1.25 0.00 0.00 42.46 41.31 1wot s ILE 93 CO 0.55 0.40 1.35 -2.16 0.24 0.00 0.00 174.94 175.32 1wot s PRO 94 N 1.50 3.86 0.00 0.37 0.04 -1.26 -1.90 135.00 137.59 1wot s PRO 94 Ca 0.02 1.25 0.25 0.00 0.04 0.00 0.00 61.00 62.57 1wot s PRO 94 Cb -0.13 -3.92 1.49 0.00 0.04 0.00 0.00 34.50 31.98 1wot s PRO 94 CO -0.07 -1.20 1.85 -0.11 0.04 0.00 0.00 177.00 177.50