#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jca s SER 2 N 0.00 1.77 -0.06 7.83 1.04 0.16 -4.92 113.70 119.52 2jca s SER 2 Ca 0.00 -1.15 -0.30 0.00 0.48 0.00 0.00 55.95 54.99 2jca s SER 2 Cb 0.00 0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 2jca s SER 2 CO 0.00 -0.45 1.05 -0.63 0.98 0.00 0.00 173.24 174.18 2jca s ILE 3 N -3.41 4.66 -0.19 -1.02 1.01 -1.26 -0.90 121.20 120.09 2jca s ILE 3 Ca 0.24 1.93 0.08 0.00 0.00 0.00 0.00 60.65 62.90 2jca s ILE 3 Cb 0.05 -4.24 -0.22 0.00 0.01 0.00 0.00 42.46 38.06 2jca s ILE 3 CO 0.06 0.05 0.08 -0.38 0.00 0.00 0.00 174.94 174.74 2jca n ILE 4 N 4.36 1.50 -3.50 2.92 5.41 0.94 -4.93 119.36 126.07 2jca n ILE 4 Ca 0.08 -0.72 -0.09 0.00 1.00 0.00 0.00 62.75 63.02 2jca n ILE 4 Cb 0.49 -1.04 -0.02 0.00 -0.71 0.00 0.00 39.64 38.35 2jca n ILE 4 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2jca s GLY 5 N -5.83 -0.48 0.05 7.39 0.00 -1.07 -5.01 107.32 102.37 2jca s GLY 5 Ca -0.20 1.01 0.02 0.00 0.00 0.00 0.00 44.72 45.55 2jca s GLY 5 CO 0.74 0.37 -0.08 -1.34 0.00 0.00 0.00 173.10 172.79 2jca s VAL 6 N -3.05 0.55 -0.02 1.40 -7.23 -1.26 -1.09 120.40 109.70 2jca s VAL 6 Ca 0.04 -1.14 -0.05 0.00 -1.81 0.00 0.00 61.98 59.02 2jca s VAL 6 Cb -0.01 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.25 2jca s VAL 6 CO -0.09 -0.41 0.12 -0.83 -0.31 0.00 0.00 175.10 173.58 2jca s GLY 7 N -1.68 0.00 0.03 2.32 0.00 -0.33 -3.45 107.32 104.22 2jca s GLY 7 Ca -0.09 0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.70 2jca s GLY 7 CO 0.00 -0.05 -0.07 -1.50 0.00 0.00 0.00 173.10 171.48 2jca s ILE 8 N -0.76 0.49 -0.11 0.90 2.07 -1.26 -1.12 121.20 121.42 2jca s ILE 8 Ca -0.08 -0.90 -0.08 0.00 -1.41 0.00 0.00 60.65 58.18 2jca s ILE 8 Cb -0.05 -0.54 0.04 0.00 0.13 0.00 0.00 42.46 42.04 2jca s ILE 8 CO 0.01 -0.29 0.28 -0.62 -1.91 0.00 0.00 174.94 172.41 2jca s ASP 9 N -1.28 -0.30 -0.10 4.50 2.15 -0.45 -4.60 116.67 116.60 2jca s ASP 9 Ca -0.08 0.58 0.01 0.00 0.43 0.00 0.00 52.55 53.49 2jca s ASP 9 Cb -0.08 0.53 0.02 0.00 -0.30 0.00 0.00 42.92 43.08 2jca s ASP 9 CO 0.00 -0.13 -0.10 -0.69 -0.17 0.00 0.00 175.17 174.08 2jca s VAL 10 N 0.69 1.14 0.05 1.11 1.01 -1.26 -1.13 120.40 122.01 2jca s VAL 10 Ca -0.04 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.62 2jca s VAL 10 Cb -0.06 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2jca s VAL 10 CO -0.04 0.37 -0.25 0.00 0.00 0.00 0.00 175.10 175.18 2jca s ALA 11 N 1.24 2.33 -0.13 5.51 0.00 0.85 -4.98 121.76 126.57 2jca s ALA 11 Ca -0.03 -1.28 -0.29 0.00 0.00 0.00 0.00 51.96 50.35 2jca s ALA 11 Cb -0.14 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 2jca s ALA 11 CO -0.03 0.54 1.22 -1.21 0.00 0.00 0.00 175.76 176.28 2jca s GLU 12 N -1.35 4.28 0.20 0.00 2.02 -1.26 -1.00 118.70 121.59 2jca s GLU 12 Ca 0.12 1.64 -0.11 0.00 0.02 0.00 0.00 54.97 56.64 2jca s GLU 12 Cb -0.10 -3.68 0.15 0.00 0.10 0.00 0.00 34.13 30.60 2jca s GLU 12 CO 0.03 -0.60 1.84 0.28 0.02 0.00 0.00 175.26 176.83 2jca h VAL 13 N 5.31 1.09 -0.86 2.63 2.07 -1.24 -2.77 116.25 122.47 2jca h VAL 13 Ca -0.29 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 2jca h VAL 13 Cb 1.12 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2jca h VAL 13 CO 0.94 0.14 0.44 -0.33 0.02 0.00 0.00 177.57 178.78 2jca h GLU 14 N 0.79 1.22 -0.49 1.57 5.08 -1.88 0.56 114.58 121.43 2jca h GLU 14 Ca 0.25 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2jca h GLU 14 Cb 0.00 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 2jca h GLU 14 CO -0.10 0.92 0.25 -0.09 -1.00 0.00 0.00 179.01 179.00 2jca h ARG 15 N 1.22 0.69 0.00 2.33 2.43 -1.91 0.14 114.38 119.28 2jca h ARG 15 Ca 0.30 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2jca h ARG 15 Cb 0.08 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2jca h ARG 15 CO -0.04 0.56 -0.00 0.35 -1.51 0.00 0.00 179.97 179.32 2jca h PHE 16 N 0.64 -0.00 -0.70 2.20 3.57 -1.19 -1.95 116.94 119.51 2jca h PHE 16 Ca 0.17 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.82 2jca h PHE 16 Cb 0.08 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 38.70 2jca h PHE 16 CO -0.01 0.17 0.02 0.78 -2.23 0.00 0.00 178.31 177.04 2jca h GLY 17 N -0.18 0.79 0.98 2.40 0.00 -0.75 -1.88 103.07 104.43 2jca h GLY 17 Ca -0.00 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 2jca h GLY 17 CO 0.00 -0.24 0.21 0.00 0.00 0.00 0.00 176.54 176.50 2jca h ALA 18 N 1.64 0.69 -0.38 3.60 0.00 -0.50 -1.47 119.26 122.85 2jca h ALA 18 Ca 0.38 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2jca h ALA 18 Cb 0.64 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2jca h ALA 18 CO -0.60 0.31 0.18 0.00 0.00 0.00 0.00 179.25 179.14 2jca h ALA 19 N 1.05 0.47 -0.51 0.00 0.00 -0.94 -1.78 119.26 117.55 2jca h ALA 19 Ca 0.18 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2jca h ALA 19 Cb 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2jca h ALA 19 CO -0.01 -0.19 0.02 -0.07 0.00 0.00 0.00 179.25 179.00 2jca h LEU 20 N 0.37 0.81 -0.27 0.00 3.38 -0.99 -2.61 115.31 116.01 2jca h LEU 20 Ca 0.16 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2jca h LEU 20 Cb 0.08 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 2jca h LEU 20 CO -0.12 0.86 -0.54 -0.33 0.09 0.00 0.00 178.44 178.40 2jca h GLU 21 N 0.79 -0.47 -0.69 1.13 5.08 -0.83 -2.79 114.58 116.81 2jca h GLU 21 Ca 0.16 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2jca h GLU 21 Cb 0.44 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 2jca h GLU 21 CO 0.02 -0.31 0.43 0.00 -1.00 0.00 0.00 179.01 178.14 2jca h ARG 22 N -0.49 0.81 -2.96 2.33 3.08 -1.06 -3.34 114.38 112.76 2jca h ARG 22 Ca 0.06 -0.05 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2jca h ARG 22 Cb 0.64 -0.18 -0.41 0.00 0.08 0.00 0.00 29.97 30.10 2jca h ARG 22 CO -0.52 0.54 -0.69 0.99 -1.07 0.00 0.00 179.97 179.22 2jca s THR 23 N -6.12 2.05 0.44 2.04 2.01 -1.01 -4.98 115.64 110.08 2jca s THR 23 Ca -0.13 -3.50 0.39 0.00 0.31 0.00 0.00 61.69 58.76 2jca s THR 23 Cb 0.15 -2.38 0.41 0.00 0.01 0.00 0.00 72.50 70.69 2jca s THR 23 CO 0.77 -1.01 2.21 -0.65 -0.69 0.00 0.00 174.62 175.25 2jca h PRO 24 N 5.84 0.00 0.00 4.92 0.11 -1.62 0.21 132.00 141.45 2jca h PRO 24 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2jca h PRO 24 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2jca h PRO 24 CO 0.60 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 2jca h ALA 25 N 1.99 1.00 -0.17 -0.75 0.00 -1.94 -3.29 119.26 116.10 2jca h ALA 25 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2jca h ALA 25 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2jca h ALA 25 CO 0.00 0.00 -0.28 1.25 0.00 0.00 0.00 179.25 180.22 2jca h LEU 26 N 0.00 0.32 -0.80 0.00 5.85 -0.89 -2.93 115.31 116.86 2jca h LEU 26 Ca 0.00 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.68 2jca h LEU 26 Cb 0.22 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2jca h LEU 26 CO 0.00 0.60 0.47 0.00 -0.34 0.00 0.00 178.44 179.17 2jca h ALA 27 N 1.43 1.10 0.00 1.25 0.00 -1.75 -0.32 119.26 120.97 2jca h ALA 27 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jca h ALA 27 Cb 0.65 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2jca h ALA 27 CO 0.05 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.88 2jca n GLY 28 N -1.31 -1.16 0.08 0.00 0.00 -1.11 -1.03 105.19 100.66 2jca n GLY 28 Ca 0.12 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2jca n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jca n ARG 29 N -1.32 0.63 -0.03 1.61 5.12 -0.18 -4.35 116.66 118.15 2jca n ARG 29 Ca 0.11 0.29 -0.08 0.00 -1.93 0.00 0.00 57.85 56.24 2jca n ARG 29 Cb 0.22 -1.79 -0.14 0.00 -1.16 0.00 0.00 32.46 29.59 2jca n ARG 29 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2jca n LEU 30 N -3.03 0.77 -4.06 0.55 4.77 -0.90 -4.22 117.00 110.87 2jca n LEU 30 Ca -0.17 0.36 -0.20 0.00 -0.03 0.00 0.00 56.01 55.97 2jca n LEU 30 Cb 1.06 0.20 -0.15 0.00 -2.33 0.00 0.00 43.42 42.20 2jca n LEU 30 CO 0.45 0.38 -0.45 -0.36 -1.33 0.00 0.00 177.39 176.08 2jca s PHE 31 N -2.62 0.99 0.77 -1.77 0.08 -0.20 -4.46 117.98 110.79 2jca s PHE 31 Ca -0.05 -0.20 -0.11 0.00 0.12 0.00 0.00 56.93 56.68 2jca s PHE 31 Cb 0.08 -0.64 0.05 0.00 -0.57 0.00 0.00 43.02 41.95 2jca s PHE 31 CO 0.82 -0.01 1.09 -0.51 -0.10 0.00 0.00 175.22 176.51 2jca s LEU 32 N -0.35 2.71 0.35 -0.37 1.43 -1.26 -4.50 118.68 116.68 2jca s LEU 32 Ca 0.04 1.32 0.04 0.00 -1.03 0.00 0.00 54.13 54.50 2jca s LEU 32 Cb -0.05 -3.99 0.68 0.00 0.03 0.00 0.00 46.19 42.86 2jca s LEU 32 CO -0.00 -1.81 1.96 -0.08 0.23 0.00 0.00 176.35 176.64 2jca h GLU 33 N -0.98 0.81 -0.19 1.70 4.81 -1.97 -1.53 114.58 117.23 2jca h GLU 33 Ca -0.46 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 2jca h GLU 33 Cb 1.26 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2jca h GLU 33 CO 0.60 0.54 0.01 0.66 -0.73 0.00 0.00 179.01 180.08 2jca h SER 34 N 0.83 0.25 0.81 1.04 4.64 -1.92 -1.17 113.55 118.02 2jca h SER 34 Ca 0.31 -0.03 -0.24 0.00 -0.47 0.00 0.00 61.79 61.36 2jca h SER 34 Cb 0.18 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2jca h SER 34 CO -0.10 0.29 -1.15 -0.33 -0.87 0.00 0.00 176.83 174.67 2jca h GLU 35 N 0.27 0.12 0.00 4.77 5.08 -1.62 -3.29 114.58 119.91 2jca h GLU 35 Ca 0.06 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 2jca h GLU 35 Cb 0.18 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2jca h GLU 35 CO 0.00 1.08 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.59 2jca h LEU 36 N 0.03 0.00 -9.30 1.33 3.38 -0.35 -3.45 115.31 106.95 2jca h LEU 36 Ca -0.08 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.22 2jca h LEU 36 Cb 1.87 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.47 2jca h LEU 36 CO 0.16 0.43 -0.67 -0.76 0.09 0.00 0.00 178.44 177.69 2jca s LEU 37 N -7.87 3.38 0.64 1.67 1.43 -0.54 -0.24 118.68 117.16 2jca s LEU 37 Ca -0.02 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 2jca s LEU 37 Cb 0.13 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 2jca s LEU 37 CO 0.73 0.28 1.04 -0.76 0.23 0.00 0.00 176.35 177.87 2jca s LEU 38 N -1.50 3.14 0.29 1.79 1.43 0.28 -4.79 118.68 119.31 2jca s LEU 38 Ca 0.19 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 2jca s LEU 38 Cb -0.11 -4.24 0.68 0.00 0.03 0.00 0.00 46.19 42.55 2jca s LEU 38 CO 0.09 -1.02 1.61 -0.65 0.23 0.00 0.00 176.35 176.61 2jca h PRO 39 N -0.41 0.10 0.00 1.29 0.11 -1.95 0.31 132.00 131.45 2jca h PRO 39 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2jca h PRO 39 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2jca h PRO 39 CO 0.63 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.89 2jca n GLY 40 N -1.43 -0.72 0.00 -0.55 0.00 -1.26 -4.90 105.19 96.33 2jca n GLY 40 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2jca n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jca n GLY 41 N -0.30 0.05 3.85 -0.02 0.00 0.11 -5.08 105.19 103.79 2jca n GLY 41 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2jca n GLY 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jca s GLU 42 N -0.99 3.97 0.24 1.61 1.03 -1.26 -4.76 118.70 118.54 2jca s GLU 42 Ca 0.00 0.57 -0.31 0.00 0.03 0.00 0.00 54.97 55.26 2jca s GLU 42 Cb 0.00 -2.55 -0.12 0.00 -0.80 0.00 0.00 34.13 30.66 2jca s GLU 42 CO 0.00 0.24 1.66 0.50 -1.33 0.00 0.00 175.26 176.33 2jca s ARG 43 N -2.80 4.13 0.53 -4.83 3.52 -1.26 -0.55 118.95 117.68 2jca s ARG 43 Ca 0.50 2.59 -0.21 0.00 -0.13 0.00 0.00 55.73 58.48 2jca s ARG 43 Cb -0.11 -3.05 -0.07 0.00 -1.56 0.00 0.00 34.95 30.16 2jca s ARG 43 CO 0.19 -0.69 1.09 -2.13 -0.81 0.00 0.00 175.30 172.94 2jca n ARG 44 N 3.18 1.27 -1.56 5.12 0.63 0.67 -4.81 116.66 121.17 2jca n ARG 44 Ca 0.12 0.47 -0.31 0.00 -0.92 0.00 0.00 57.85 57.21 2jca n ARG 44 Cb 0.36 -2.25 0.06 0.00 0.45 0.00 0.00 32.46 31.08 2jca n ARG 44 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2jca s GLY 45 N -0.99 1.77 0.30 5.14 0.00 -1.26 -4.82 107.32 107.46 2jca s GLY 45 Ca 0.71 0.22 0.05 0.00 0.00 0.00 0.00 44.72 45.69 2jca s GLY 45 CO 0.51 0.54 1.79 -0.24 0.00 0.00 0.00 173.10 175.69 2jca h VAL 46 N -0.63 0.75 -0.29 1.40 3.04 -1.98 -1.03 116.25 117.50 2jca h VAL 46 Ca -0.44 -0.28 -0.08 0.00 -1.01 0.00 0.00 66.70 64.89 2jca h VAL 46 Cb 1.22 -0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.37 2jca h VAL 46 CO 0.55 0.15 -0.12 0.00 -1.01 0.00 0.00 177.57 177.14 2jca h ALA 47 N 1.62 0.41 -0.64 3.17 0.00 -1.89 0.11 119.26 122.04 2jca h ALA 47 Ca 0.56 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 2jca h ALA 47 Cb 0.81 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2jca h ALA 47 CO -0.36 0.28 0.11 1.03 0.00 0.00 0.00 179.25 180.31 2jca h SER 48 N 0.35 1.02 -0.57 0.00 0.87 -1.81 -2.17 113.55 111.24 2jca h SER 48 Ca 0.07 -0.26 -0.08 0.00 -1.23 0.00 0.00 61.79 60.29 2jca h SER 48 Cb 0.63 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2jca h SER 48 CO 0.04 1.02 0.06 0.25 -0.53 0.00 0.00 176.83 177.67 2jca h LEU 49 N 0.98 0.96 -1.28 2.23 5.85 -1.08 -2.95 115.31 120.02 2jca h LEU 49 Ca 0.20 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 2jca h LEU 49 Cb 0.43 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2jca h LEU 49 CO 0.01 0.98 -0.08 0.00 -0.34 0.00 0.00 178.44 179.01 2jca h ALA 50 N 1.13 1.41 -0.53 1.25 0.00 -0.52 -0.26 119.26 121.73 2jca h ALA 50 Ca 0.18 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2jca h ALA 50 Cb 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2jca h ALA 50 CO 0.02 0.41 0.09 0.00 0.00 0.00 0.00 179.25 179.77 2jca h ALA 51 N 1.55 1.15 -0.17 0.00 0.00 -1.24 0.15 119.26 120.70 2jca h ALA 51 Ca 0.08 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 2jca h ALA 51 Cb 0.38 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jca h ALA 51 CO 0.02 0.56 -0.57 0.00 0.00 0.00 0.00 179.25 179.26 2jca h ARG 52 N 0.80 0.55 -0.41 0.00 3.08 -1.20 -1.77 114.38 115.44 2jca h ARG 52 Ca 0.17 -0.35 -0.15 0.00 0.07 0.00 0.00 59.98 59.71 2jca h ARG 52 Cb 0.36 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2jca h ARG 52 CO 0.01 0.97 -0.35 0.35 -1.07 0.00 0.00 179.97 179.87 2jca h PHE 53 N 0.42 1.13 -0.85 3.04 3.57 -0.79 -2.39 116.94 121.07 2jca h PHE 53 Ca 0.00 -0.32 0.11 0.00 3.53 0.00 0.00 57.97 61.29 2jca h PHE 53 Cb 1.12 -0.24 -0.08 0.00 2.79 0.00 0.00 35.95 39.54 2jca h PHE 53 CO 0.05 1.15 0.48 0.00 -2.23 0.00 0.00 178.31 177.76 2jca h ALA 54 N 0.81 1.23 -0.68 2.41 0.00 -0.59 0.38 119.26 122.82 2jca h ALA 54 Ca 0.07 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2jca h ALA 54 Cb 0.94 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2jca h ALA 54 CO 0.09 0.07 0.30 0.00 0.00 0.00 0.00 179.25 179.71 2jca h ALA 55 N 1.49 0.88 -0.64 0.00 0.00 -1.15 0.33 119.26 120.17 2jca h ALA 55 Ca 0.42 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2jca h ALA 55 Cb 0.44 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2jca h ALA 55 CO -0.28 0.46 0.14 0.87 0.00 0.00 0.00 179.25 180.45 2jca h LYS 56 N 0.95 1.03 -0.67 0.00 1.57 -0.88 0.12 116.57 118.69 2jca h LYS 56 Ca 0.23 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2jca h LYS 56 Cb 0.16 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2jca h LYS 56 CO -0.02 0.94 0.26 0.93 -0.57 0.00 0.00 179.45 180.98 2jca h GLU 57 N 0.94 1.01 -0.53 3.15 4.39 -0.65 0.61 114.58 123.52 2jca h GLU 57 Ca 0.20 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 2jca h GLU 57 Cb 0.38 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2jca h GLU 57 CO 0.01 0.85 0.06 0.00 -1.16 0.00 0.00 179.01 178.77 2jca h ALA 58 N 1.11 0.70 -0.21 3.43 0.00 -0.19 -1.66 119.26 122.44 2jca h ALA 58 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jca h ALA 58 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jca h ALA 58 CO -0.02 0.47 0.13 1.25 0.00 0.00 0.00 179.25 181.08 2jca h LEU 59 N 0.77 0.25 -0.83 0.00 5.85 -0.59 0.25 115.31 121.01 2jca h LEU 59 Ca 0.16 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.99 2jca h LEU 59 Cb 0.44 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 2jca h LEU 59 CO 0.02 0.20 0.42 0.00 -0.34 0.00 0.00 178.44 178.73 2jca h ALA 60 N 1.06 1.22 -0.47 1.25 0.00 -0.65 -0.57 119.26 121.10 2jca h ALA 60 Ca 0.08 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 2jca h ALA 60 Cb -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jca h ALA 60 CO -0.02 -0.08 -0.20 0.87 0.00 0.00 0.00 179.25 179.83 2jca h LYS 61 N 0.62 0.95 0.00 0.00 1.57 -0.93 0.18 116.57 118.96 2jca h LYS 61 Ca 0.44 -0.39 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2jca h LYS 61 Cb 0.60 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2jca h LYS 61 CO -0.35 1.05 -0.31 0.00 -0.57 0.00 0.00 179.45 179.28 2jca h ALA 62 N 0.94 1.40 -0.15 3.86 0.00 -0.24 -2.56 119.26 122.51 2jca h ALA 62 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jca h ALA 62 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2jca h ALA 62 CO 0.06 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.98 2jca n LEU 63 N -4.05 1.77 -3.58 0.00 4.77 -0.29 -4.26 117.00 111.36 2jca n LEU 63 Ca -0.02 -0.71 -0.23 0.00 -0.03 0.00 0.00 56.01 55.02 2jca n LEU 63 Cb 0.37 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 2jca n LEU 63 CO 0.37 0.36 0.20 0.61 -1.33 0.00 0.00 177.39 177.60 2jca n GLY 64 N 1.17 -0.50 3.25 -0.72 0.00 -0.96 -4.97 105.19 102.46 2jca n GLY 64 Ca 0.17 0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 2jca n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jca s ALA 65 N -3.34 3.60 0.25 4.61 0.00 0.61 -4.95 121.76 122.54 2jca s ALA 65 Ca 0.44 -2.73 0.05 0.00 0.00 0.00 0.00 51.96 49.72 2jca s ALA 65 Cb -0.20 -3.06 0.28 0.00 0.00 0.00 0.00 23.12 20.15 2jca s ALA 65 CO 0.74 -2.02 1.58 -1.00 0.00 0.00 0.00 175.76 175.06 2jca h PRO 66 N 8.35 0.22 -0.52 0.00 0.13 -1.93 -2.65 132.00 135.60 2jca h PRO 66 Ca -0.17 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2jca h PRO 66 Cb 1.07 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jca h PRO 66 CO 0.89 0.74 0.00 0.00 -0.23 0.00 0.00 178.00 179.39 2jca n ALA 67 N -2.47 2.72 0.00 -0.56 0.00 -1.26 -5.04 120.51 113.90 2jca n ALA 67 Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2jca n ALA 67 Cb 0.60 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2jca n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jca n GLY 68 N 0.74 -1.92 3.54 0.00 0.00 -1.00 -5.01 105.19 101.54 2jca n GLY 68 Ca 0.12 -1.43 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 2jca n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jca s LEU 69 N 0.00 2.77 -0.80 0.99 1.43 -1.26 -4.88 118.68 116.92 2jca s LEU 69 Ca 0.00 -1.05 -0.25 0.00 -1.03 0.00 0.00 54.13 51.80 2jca s LEU 69 Cb 0.00 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 2jca s LEU 69 CO 0.00 -0.10 1.70 -0.22 0.23 0.00 0.00 176.35 177.96 2jca s LEU 70 N -3.60 3.27 0.32 1.79 0.20 -1.26 -4.86 118.68 114.55 2jca s LEU 70 Ca 0.32 -0.47 0.06 0.00 0.69 0.00 0.00 54.13 54.73 2jca s LEU 70 Cb -0.02 -2.55 0.71 0.00 -0.43 0.00 0.00 46.19 43.90 2jca s LEU 70 CO 0.17 -2.22 1.84 -0.50 -0.29 0.00 0.00 176.35 175.35 2jca h TRP 71 N 11.89 0.97 0.00 5.38 4.06 -1.89 0.11 115.95 136.48 2jca h TRP 71 Ca -0.07 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.91 2jca h TRP 71 Cb 1.06 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 28.92 2jca h TRP 71 CO 1.16 0.35 0.00 0.25 -3.56 0.00 0.00 178.44 176.64 2jca n THR 72 N -4.61 0.00 1.03 1.49 -2.24 -1.26 -1.74 114.28 106.96 2jca n THR 72 Ca 0.19 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.05 2jca n THR 72 Cb 0.44 -0.45 0.26 0.00 -2.10 0.00 0.00 70.33 68.48 2jca n THR 72 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jca n ASP 73 N -0.93 1.79 -4.03 3.42 8.00 0.38 -4.77 116.55 120.41 2jca n ASP 73 Ca 0.20 -1.87 -0.22 0.00 0.71 0.00 0.00 54.79 53.62 2jca n ASP 73 Cb 0.09 -0.18 -0.16 0.00 -0.02 0.00 0.00 41.12 40.86 2jca n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jca s ALA 74 N -1.65 1.02 -0.10 2.24 0.00 -0.71 -1.17 121.76 121.40 2jca s ALA 74 Ca 0.28 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.80 2jca s ALA 74 Cb 0.15 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.93 2jca s ALA 74 CO 0.21 0.17 0.00 -2.00 0.00 0.00 0.00 175.76 174.14 2jca s GLU 75 N 0.17 0.71 -0.09 0.00 2.12 0.61 -4.83 118.70 117.38 2jca s GLU 75 Ca -0.03 -0.05 -0.26 0.00 0.36 0.00 0.00 54.97 54.99 2jca s GLU 75 Cb -0.09 -1.30 -0.03 0.00 0.26 0.00 0.00 34.13 32.98 2jca s GLU 75 CO 0.01 -0.38 0.83 0.08 -0.54 0.00 0.00 175.26 175.26 2jca s VAL 76 N 1.92 4.93 0.18 3.70 1.01 -1.26 -0.65 120.40 130.23 2jca s VAL 76 Ca 0.04 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.70 2jca s VAL 76 Cb -0.13 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2jca s VAL 76 CO -0.06 0.13 0.06 -1.66 0.00 0.00 0.00 175.10 173.57 2jca s TRP 77 N 1.44 1.18 -0.10 5.22 1.48 -0.34 -4.74 118.94 123.08 2jca s TRP 77 Ca 0.42 -1.17 0.03 0.00 -1.06 0.00 0.00 56.10 54.32 2jca s TRP 77 Cb -0.18 -0.66 0.00 0.00 -1.16 0.00 0.00 33.47 31.48 2jca s TRP 77 CO 0.18 -0.39 -0.21 0.08 -4.06 0.00 0.00 176.95 172.55 2jca s VAL 78 N -3.87 1.85 0.75 -0.66 1.01 -1.26 0.07 120.40 118.29 2jca s VAL 78 Ca 0.29 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 2jca s VAL 78 Cb 0.07 -1.62 0.05 0.00 0.00 0.00 0.00 36.38 34.88 2jca s VAL 78 CO 0.07 0.51 1.23 -1.61 0.00 0.00 0.00 175.10 175.30 2jca s GLU 79 N 0.50 1.99 0.29 2.72 2.02 0.05 -4.91 118.70 121.35 2jca s GLU 79 Ca -0.16 1.82 0.04 0.00 0.02 0.00 0.00 54.97 56.70 2jca s GLU 79 Cb -0.17 -1.81 0.74 0.00 0.10 0.00 0.00 34.13 32.99 2jca s GLU 79 CO 0.06 -1.97 1.70 0.00 0.02 0.00 0.00 175.26 175.07 2jca h ALA 80 N -0.40 1.46 0.00 5.21 0.00 -2.00 -0.69 119.26 122.83 2jca h ALA 80 Ca -0.48 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2jca h ALA 80 Cb 1.30 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2jca h ALA 80 CO 0.49 -0.34 0.00 0.78 0.00 0.00 0.00 179.25 180.18 2jca h GLY 81 N 0.41 0.00 0.00 0.00 0.00 -2.06 -3.47 103.07 97.96 2jca h GLY 81 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2jca h GLY 81 CO -0.52 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.63 2jca n GLY 82 N 0.21 1.13 3.68 4.60 0.00 -0.27 -5.13 105.19 109.42 2jca n GLY 82 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2jca n GLY 82 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jca s ARG 83 N 0.00 4.36 0.65 1.61 3.52 -1.26 -4.77 118.95 123.07 2jca s ARG 83 Ca 0.00 1.30 -0.15 0.00 -0.13 0.00 0.00 55.73 56.75 2jca s ARG 83 Cb 0.00 -3.57 -0.01 0.00 -1.56 0.00 0.00 34.95 29.82 2jca s ARG 83 CO 0.00 -0.37 1.09 -1.25 -0.81 0.00 0.00 175.30 173.95 2jca s PRO 84 N 2.26 2.94 0.08 5.12 0.04 -1.26 -0.77 135.00 143.40 2jca s PRO 84 Ca 0.45 1.29 -0.08 0.00 0.04 0.00 0.00 61.00 62.71 2jca s PRO 84 Cb -0.17 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 2jca s PRO 84 CO 0.14 -1.13 0.16 1.03 0.04 0.00 0.00 177.00 177.25 2jca s ARG 85 N -4.20 0.81 -0.17 4.56 1.81 0.11 -4.61 118.95 117.26 2jca s ARG 85 Ca 0.65 -0.99 0.01 0.00 -1.72 0.00 0.00 55.73 53.68 2jca s ARG 85 Cb -0.18 0.32 0.02 0.00 -0.45 0.00 0.00 34.95 34.66 2jca s ARG 85 CO 0.42 -0.25 -0.20 -0.51 -0.68 0.00 0.00 175.30 174.08 2jca s LEU 86 N -2.87 2.15 -0.16 2.53 1.43 -1.26 -1.20 118.68 119.29 2jca s LEU 86 Ca 0.05 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 2jca s LEU 86 Cb 0.05 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 2jca s LEU 86 CO -0.11 0.03 0.21 -0.60 0.23 0.00 0.00 176.35 176.11 2jca s ARG 87 N 1.12 4.09 -0.02 1.70 3.52 0.17 -4.94 118.95 124.59 2jca s ARG 87 Ca 0.01 -0.06 0.08 0.00 -0.13 0.00 0.00 55.73 55.62 2jca s ARG 87 Cb -0.14 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 2jca s ARG 87 CO -0.09 0.37 -0.24 0.14 -0.81 0.00 0.00 175.30 174.66 2jca s VAL 88 N 0.13 1.92 0.31 7.11 -7.23 -1.26 -0.29 120.40 121.09 2jca s VAL 88 Ca 0.13 -1.05 0.04 0.00 -1.81 0.00 0.00 61.98 59.29 2jca s VAL 88 Cb -0.12 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 2jca s VAL 88 CO 0.02 0.54 0.19 0.42 -0.31 0.00 0.00 175.10 175.96 2jca s THR 89 N -0.58 0.19 0.00 5.32 -4.23 -0.32 -4.54 115.64 111.49 2jca s THR 89 Ca 0.09 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 2jca s THR 89 Cb -0.09 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.26 2jca s THR 89 CO -0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 2jca n GLY 90 N -0.58 3.43 0.25 3.99 0.00 -1.26 -1.47 105.19 109.55 2jca n GLY 90 Ca 0.03 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.03 2jca n GLY 90 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jca h THR 91 N 0.00 1.17 0.04 2.61 1.35 -1.94 -1.44 112.91 114.70 2jca h THR 91 Ca 0.00 -0.73 -0.20 0.00 -0.55 0.00 0.00 66.41 64.93 2jca h THR 91 Cb 0.00 1.13 0.02 0.00 -1.73 0.00 0.00 68.15 67.57 2jca h THR 91 CO 0.00 0.23 -0.79 0.58 -0.25 0.00 0.00 175.52 175.30 2jca h VAL 92 N 0.28 1.40 -0.87 6.82 2.07 -1.49 -1.17 116.25 123.28 2jca h VAL 92 Ca 0.06 -2.22 0.02 0.00 0.82 0.00 0.00 66.70 65.38 2jca h VAL 92 Cb 0.34 2.67 -0.05 0.00 -1.52 0.00 0.00 31.29 32.73 2jca h VAL 92 CO 0.02 0.66 0.58 0.00 0.02 0.00 0.00 177.57 178.84 2jca h ALA 93 N 0.29 1.42 -0.14 1.67 0.00 -1.12 0.12 119.26 121.50 2jca h ALA 93 Ca -0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2jca h ALA 93 Cb 1.50 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2jca h ALA 93 CO 0.15 0.52 -0.02 0.00 0.00 0.00 0.00 179.25 179.90 2jca h ALA 94 N 1.47 0.19 -0.51 0.00 0.00 -1.17 -0.39 119.26 118.85 2jca h ALA 94 Ca 0.33 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2jca h ALA 94 Cb -0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2jca h ALA 94 CO -0.09 -0.08 0.27 -0.09 0.00 0.00 0.00 179.25 179.26 2jca h ARG 95 N -0.03 0.50 -0.84 0.00 9.65 -0.84 -0.77 114.38 122.05 2jca h ARG 95 Ca 0.04 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2jca h ARG 95 Cb 0.42 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.84 2jca h ARG 95 CO 0.01 0.33 0.54 0.00 2.80 0.00 0.00 179.97 183.66 2jca h ALA 96 N 1.27 1.07 -0.22 2.80 0.00 -0.80 -1.80 119.26 121.58 2jca h ALA 96 Ca 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jca h ALA 96 Cb 0.12 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2jca h ALA 96 CO -0.15 0.50 0.13 0.00 0.00 0.00 0.00 179.25 179.73 2jca h ALA 97 N 1.30 0.28 -0.96 0.00 0.00 -0.66 -0.98 119.26 118.24 2jca h ALA 97 Ca 0.31 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.39 2jca h ALA 97 Cb -0.10 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.48 2jca h ALA 97 CO -0.06 -0.21 0.53 0.93 0.00 0.00 0.00 179.25 180.43 2jca h GLU 98 N 0.26 0.57 -0.00 0.00 5.08 -0.86 0.10 114.58 119.73 2jca h GLU 98 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2jca h GLU 98 Cb 0.03 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2jca h GLU 98 CO -0.01 0.38 -0.27 1.28 -1.00 0.00 0.00 179.01 179.38 2jca n LEU 99 N -4.89 0.42 -0.72 1.33 4.77 -0.70 -4.95 117.00 112.25 2jca n LEU 99 Ca 0.24 0.10 -0.06 0.00 -0.03 0.00 0.00 56.01 56.26 2jca n LEU 99 Cb 0.64 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2jca n LEU 99 CO 0.17 0.09 -0.06 0.61 -1.33 0.00 0.00 177.39 176.88 2jca n GLY 100 N 1.44 0.18 3.71 -0.72 0.00 0.36 -5.01 105.19 105.15 2jca n GLY 100 Ca 0.08 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 2jca n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jca s VAL 101 N -2.37 4.38 -0.16 1.61 1.01 -0.45 -4.40 120.40 120.02 2jca s VAL 101 Ca 0.02 1.70 0.12 0.00 0.00 0.00 0.00 61.98 63.82 2jca s VAL 101 Cb -0.01 -4.09 -0.18 0.00 0.00 0.00 0.00 36.38 32.10 2jca s VAL 101 CO 0.02 0.13 0.02 0.00 0.00 0.00 0.00 175.10 175.27 2jca n ALA 102 N 3.96 1.61 -2.96 5.51 0.00 0.71 -4.69 120.51 124.65 2jca n ALA 102 Ca 0.08 -1.01 -0.11 0.00 0.00 0.00 0.00 53.44 52.40 2jca n ALA 102 Cb 0.48 -0.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 2jca n ALA 102 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jca s SER 103 N -5.08 -0.07 0.07 0.00 1.04 -0.74 -5.02 113.70 103.90 2jca s SER 103 Ca -0.11 -0.25 0.08 0.00 0.48 0.00 0.00 55.95 56.15 2jca s SER 103 Cb 0.05 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 2jca s SER 103 CO 0.61 -0.59 -0.21 0.26 0.98 0.00 0.00 173.24 174.29 2jca s TRP 104 N -2.54 1.83 -0.05 5.02 0.52 -1.26 -1.72 118.94 120.74 2jca s TRP 104 Ca -0.05 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.71 2jca s TRP 104 Cb -0.01 -1.04 0.00 0.00 -1.15 0.00 0.00 33.47 31.27 2jca s TRP 104 CO -0.03 0.16 -0.16 -1.01 0.02 0.00 0.00 176.95 175.93 2jca s HIS 105 N -0.98 1.63 0.02 -1.98 3.76 0.13 -4.96 115.29 112.92 2jca s HIS 105 Ca 0.07 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.48 2jca s HIS 105 Cb -0.09 -1.13 -0.02 0.00 1.11 0.00 0.00 32.58 32.45 2jca s HIS 105 CO 0.03 -0.20 -0.05 0.54 -0.85 0.00 0.00 174.74 174.21 2jca s VAL 106 N 0.23 0.34 0.01 -0.90 0.11 -1.26 -0.85 120.40 118.08 2jca s VAL 106 Ca -0.07 -0.71 0.01 0.00 -2.93 0.00 0.00 61.98 58.27 2jca s VAL 106 Cb -0.13 -0.39 -0.01 0.00 -1.53 0.00 0.00 36.38 34.32 2jca s VAL 106 CO 0.03 -0.25 -0.03 -0.55 -3.33 0.00 0.00 175.10 170.97 2jca s SER 107 N -1.03 0.33 0.15 3.54 0.15 -0.73 -4.65 113.70 111.46 2jca s SER 107 Ca -0.07 -0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.37 2jca s SER 107 Cb -0.07 0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 2jca s SER 107 CO -0.00 -0.10 -0.09 -1.48 1.20 0.00 0.00 173.24 172.77 2jca s LEU 108 N -0.67 2.49 0.15 3.45 0.05 -1.26 -1.88 118.68 121.01 2jca s LEU 108 Ca -0.06 -1.04 -0.13 0.00 0.05 0.00 0.00 54.13 52.96 2jca s LEU 108 Cb -0.05 -0.31 0.02 0.00 -2.05 0.00 0.00 46.19 43.80 2jca s LEU 108 CO -0.00 -0.36 0.38 -0.94 -0.55 0.00 0.00 176.35 174.87 2jca s SER 109 N -3.17 -0.11 -0.07 1.48 1.04 -0.08 -4.98 113.70 107.80 2jca s SER 109 Ca 0.18 -0.58 -0.17 0.00 0.48 0.00 0.00 55.95 55.86 2jca s SER 109 Cb 0.03 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.66 2jca s SER 109 CO 0.01 -0.91 0.40 -1.38 0.98 0.00 0.00 173.24 172.33 2jca s HIS 110 N -3.88 -0.34 0.00 5.02 -3.43 -1.26 -0.66 115.29 110.73 2jca s HIS 110 Ca 0.09 0.69 0.00 0.00 -0.80 0.00 0.00 55.06 55.05 2jca s HIS 110 Cb 0.02 0.16 0.00 0.00 -1.43 0.00 0.00 32.58 31.33 2jca s HIS 110 CO -0.05 -0.36 0.00 -0.40 -2.00 0.00 0.00 174.74 171.93 2jca n ASP 111 N 1.82 0.00 0.17 7.38 5.68 -0.58 -5.01 116.55 126.01 2jca n ASP 111 Ca -0.18 -0.03 0.01 0.00 -0.50 0.00 0.00 54.79 54.09 2jca n ASP 111 Cb 0.57 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.85 2jca n ASP 111 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jca h ALA 112 N -1.00 1.26 0.00 2.12 0.00 -2.01 -3.27 119.26 116.37 2jca h ALA 112 Ca 0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 2jca h ALA 112 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2jca h ALA 112 CO 0.00 0.56 -1.77 0.41 0.00 0.00 0.00 179.25 178.44 2jca n GLY 113 N -0.25 -0.69 3.00 0.00 0.00 -1.26 -4.78 105.19 101.21 2jca n GLY 113 Ca -0.02 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 2jca n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jca s ILE 114 N -2.82 0.75 0.11 -0.61 1.01 -1.23 -0.75 121.20 117.66 2jca s ILE 114 Ca -0.06 -0.35 0.11 0.00 0.00 0.00 0.00 60.65 60.35 2jca s ILE 114 Cb 0.08 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2jca s ILE 114 CO 0.61 0.24 -0.27 0.00 0.00 0.00 0.00 174.94 175.52 2jca s ALA 115 N 0.17 2.33 0.12 9.38 0.00 -0.17 -1.53 121.76 132.07 2jca s ALA 115 Ca -0.03 -1.42 -0.11 0.00 0.00 0.00 0.00 51.96 50.40 2jca s ALA 115 Cb -0.08 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.66 2jca s ALA 115 CO 0.00 0.53 0.28 -1.54 0.00 0.00 0.00 175.76 175.03 2jca s SER 116 N -1.90 -0.01 0.08 0.00 1.04 0.16 -0.11 113.70 112.96 2jca s SER 116 Ca 0.13 -0.59 -0.22 0.00 0.48 0.00 0.00 55.95 55.75 2jca s SER 116 Cb -0.10 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.48 2jca s SER 116 CO 0.05 -0.81 0.53 0.00 0.98 0.00 0.00 173.24 174.00 2jca s ALA 117 N -3.87 -1.37 -0.01 5.32 0.00 -0.28 -0.91 121.76 120.65 2jca s ALA 117 Ca 0.07 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.57 2jca s ALA 117 Cb 0.03 0.52 -0.00 0.00 0.00 0.00 0.00 23.12 23.68 2jca s ALA 117 CO -0.09 -0.58 -0.05 0.54 0.00 0.00 0.00 175.76 175.58 2jca s VAL 118 N -2.87 0.42 -0.07 0.00 0.11 -0.79 -1.34 120.40 115.87 2jca s VAL 118 Ca -0.03 -0.21 0.03 0.00 -2.93 0.00 0.00 61.98 58.84 2jca s VAL 118 Cb -0.00 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 2jca s VAL 118 CO -0.05 0.13 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.00 2jca s VAL 119 N 0.01 1.38 -0.13 2.04 1.01 -0.27 -1.78 120.40 122.66 2jca s VAL 119 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2jca s VAL 119 Cb -0.04 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 2jca s VAL 119 CO -0.00 0.41 -0.16 -0.63 0.00 0.00 0.00 175.10 174.71 2jca s ILE 120 N 0.47 2.74 -0.16 2.22 1.01 -0.03 -1.18 121.20 126.27 2jca s ILE 120 Ca -0.13 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 2jca s ILE 120 Cb -0.15 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 2jca s ILE 120 CO 0.05 0.53 0.03 0.00 0.00 0.00 0.00 174.94 175.55 2jca s ALA 121 N 0.46 3.31 0.10 9.38 0.00 -0.25 -0.70 121.76 134.06 2jca s ALA 121 Ca -0.11 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2jca s ALA 121 Cb -0.16 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 2jca s ALA 121 CO 0.05 0.26 -0.07 -1.83 0.00 0.00 0.00 175.76 174.17 2jca s GLU 122 N 0.14 0.84 0.00 0.00 -1.05 -0.70 -0.04 118.70 117.88 2jca s GLU 122 Ca 0.03 -1.31 0.00 0.00 -0.15 0.00 0.00 54.97 53.54 2jca s GLU 122 Cb -0.13 -0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.31 2jca s GLU 122 CO 0.01 -0.00 0.00 0.41 0.95 0.00 0.00 175.26 176.63