#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 0.32 0.09 7.83 0.15 -0.09 -4.94 113.70 117.05 2jca s SER 2 Ca 0.00 -0.57 -0.31 0.00 0.70 0.00 0.00 55.95 55.77 2jca s SER 2 Cb 0.00 0.11 -0.06 0.00 -1.71 0.00 0.00 66.02 64.35 2jca s SER 2 CO 0.00 -0.33 1.25 -0.63 1.20 0.00 0.00 173.24 174.72 2jca s ILE 3 N -1.78 3.80 -0.24 6.45 1.01 -1.26 -1.21 121.20 127.97 2jca s ILE 3 Ca -0.13 1.31 0.03 0.00 0.00 0.00 0.00 60.65 61.87 2jca s ILE 3 Cb -0.08 -3.84 -0.19 0.00 0.01 0.00 0.00 42.46 38.37 2jca s ILE 3 CO -0.02 0.11 -0.14 -0.38 0.00 0.00 0.00 174.94 174.52 2jca n ILE 4 N 3.79 1.50 -3.53 2.92 5.41 0.12 -4.93 119.36 124.66 2jca n ILE 4 Ca 0.09 -0.62 -0.11 0.00 1.00 0.00 0.00 62.75 63.12 2jca n ILE 4 Cb 0.45 -1.32 -0.04 0.00 -0.71 0.00 0.00 39.64 38.02 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 -6.30 -0.42 0.13 7.39 0.00 -1.10 -5.01 107.32 102.01 2jca s GLY 5 Ca -0.31 1.39 0.08 0.00 0.00 0.00 0.00 44.72 45.88 2jca s GLY 5 CO 0.64 0.67 -0.18 0.54 0.00 0.00 0.00 173.10 174.77 2jca s VAL 6 N -2.14 1.67 -0.02 1.40 0.11 -1.26 -0.74 120.40 119.42 2jca s VAL 6 Ca -0.00 -1.72 -0.04 0.00 -2.93 0.00 0.00 61.98 57.30 2jca s VAL 6 Cb -0.01 -1.65 0.00 0.00 -1.53 0.00 0.00 36.38 33.20 2jca s VAL 6 CO -0.03 -0.23 0.09 -0.83 -3.33 0.00 0.00 175.10 170.77 2jca s GLY 7 N -2.30 0.00 0.02 6.54 0.00 0.21 -3.38 107.32 108.40 2jca s GLY 7 Ca 0.10 0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.89 2jca s GLY 7 CO 0.05 -0.01 -0.06 -1.50 0.00 0.00 0.00 173.10 171.57 2jca s ILE 8 N -0.49 0.44 -0.03 0.90 2.07 -1.26 -1.03 121.20 121.79 2jca s ILE 8 Ca -0.06 -0.65 -0.02 0.00 -1.41 0.00 0.00 60.65 58.51 2jca s ILE 8 Cb -0.04 -0.46 0.02 0.00 0.13 0.00 0.00 42.46 42.11 2jca s ILE 8 CO 0.00 -0.15 0.08 -0.62 -1.91 0.00 0.00 174.94 172.34 2jca s ASP 9 N -0.87 -0.07 -0.07 4.50 2.15 -0.70 -4.68 116.67 116.95 2jca s ASP 9 Ca -0.05 0.16 0.01 0.00 0.43 0.00 0.00 52.55 53.11 2jca s ASP 9 Cb -0.06 0.13 0.02 0.00 -0.30 0.00 0.00 42.92 42.71 2jca s ASP 9 CO 0.00 -0.06 -0.07 -0.69 -0.17 0.00 0.00 175.17 174.18 2jca s VAL 10 N 0.37 0.83 -0.06 1.11 1.01 -1.26 -1.43 120.40 120.98 2jca s VAL 10 Ca -0.03 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.73 2jca s VAL 10 Cb -0.04 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.53 2jca s VAL 10 CO -0.01 0.30 -0.14 0.00 0.00 0.00 0.00 175.10 175.25 2jca s ALA 11 N 1.08 1.35 0.01 5.51 0.00 -0.01 -5.01 121.76 124.69 2jca s ALA 11 Ca -0.08 -0.52 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 2jca s ALA 11 Cb -0.14 -0.53 -0.06 0.00 0.00 0.00 0.00 23.12 22.39 2jca s ALA 11 CO -0.01 0.18 1.41 -1.21 0.00 0.00 0.00 175.76 176.13 2jca s GLU 12 N 0.40 4.28 0.20 0.00 2.02 -1.26 -1.02 118.70 123.31 2jca s GLU 12 Ca -0.10 1.98 -0.11 0.00 0.02 0.00 0.00 54.97 56.76 2jca s GLU 12 Cb -0.14 -3.56 0.13 0.00 0.10 0.00 0.00 34.13 30.66 2jca s GLU 12 CO 0.03 -0.57 1.82 0.28 0.02 0.00 0.00 175.26 176.84 2jca h VAL 13 N 4.88 1.21 -0.76 2.63 2.07 -1.31 -2.35 116.25 122.62 2jca h VAL 13 Ca -0.38 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2jca h VAL 13 Cb 1.18 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 2jca h VAL 13 CO 0.90 0.23 0.38 -0.33 0.02 0.00 0.00 177.57 178.77 2jca h GLU 14 N 0.96 1.07 -0.45 1.57 5.08 -1.85 -0.29 114.58 120.67 2jca h GLU 14 Ca 0.25 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 2jca h GLU 14 Cb 0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2jca h GLU 14 CO -0.04 0.82 -0.24 0.00 -1.00 0.00 0.00 179.01 178.54 2jca h ARG 15 N 1.07 0.96 -0.76 2.33 3.08 -1.90 -1.42 114.38 117.74 2jca h ARG 15 Ca 0.26 -0.43 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 2jca h ARG 15 Cb 0.09 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2jca h ARG 15 CO -0.04 1.10 0.26 0.35 -1.07 0.00 0.00 179.97 180.57 2jca h PHE 16 N 0.80 1.20 -0.31 3.04 3.57 -0.86 -1.55 116.94 122.83 2jca h PHE 16 Ca 0.10 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2jca h PHE 16 Cb 0.82 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 2jca h PHE 16 CO 0.06 0.93 0.16 0.78 -2.23 0.00 0.00 178.31 178.01 2jca h GLY 17 N 1.12 0.47 1.00 2.40 0.00 -0.92 -1.98 103.07 105.17 2jca h GLY 17 Ca 0.25 -0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.40 2jca h GLY 17 CO -0.01 0.21 0.55 0.00 0.00 0.00 0.00 176.54 177.29 2jca h ALA 18 N 1.02 1.53 -0.42 3.60 0.00 -1.12 -2.13 119.26 121.74 2jca h ALA 18 Ca 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2jca h ALA 18 Cb 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2jca h ALA 18 CO -0.02 0.37 0.03 0.00 0.00 0.00 0.00 179.25 179.64 2jca h ALA 19 N 1.53 1.28 -0.18 0.00 0.00 -0.78 -2.40 119.26 118.70 2jca h ALA 19 Ca 0.34 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2jca h ALA 19 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jca h ALA 19 CO -0.11 0.49 -0.44 -0.07 0.00 0.00 0.00 179.25 179.12 2jca h LEU 20 N 0.62 0.47 -0.63 0.00 3.38 -0.74 -2.96 115.31 115.45 2jca h LEU 20 Ca 0.13 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2jca h LEU 20 Cb 0.34 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2jca h LEU 20 CO 0.01 0.85 0.22 -0.33 0.09 0.00 0.00 178.44 179.29 2jca h GLU 21 N 0.36 0.97 0.00 1.13 5.08 -1.23 -3.23 114.58 117.66 2jca h GLU 21 Ca 0.03 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2jca h GLU 21 Cb 0.92 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2jca h GLU 21 CO 0.08 0.84 0.00 0.54 -1.00 0.00 0.00 179.01 179.47 2jca n ARG 22 N -4.40 0.12 0.00 2.33 1.74 -0.92 -4.62 116.66 110.91 2jca n ARG 22 Ca 0.04 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.74 2jca n ARG 22 Cb 0.19 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 2jca n ARG 22 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2jca n THR 23 N -2.16 0.00 -0.64 0.55 5.66 -1.22 -5.05 114.28 111.43 2jca n THR 23 Ca -0.01 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.05 2jca n THR 23 Cb 0.03 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 68.90 2jca n THR 23 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2jca n PRO 24 N 0.00 1.99 0.00 1.09 -0.04 -1.26 0.11 135.00 136.90 2jca n PRO 24 Ca 0.00 -2.15 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 2jca n PRO 24 Cb 0.00 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2jca n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jca n ALA 25 N -1.04 0.00 0.10 0.55 0.00 -1.26 -3.78 120.51 115.07 2jca n ALA 25 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 2jca n ALA 25 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 2jca n ALA 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jca h LEU 26 N 0.00 -0.56 -0.49 0.00 5.85 0.48 -0.48 115.31 120.11 2jca h LEU 26 Ca 0.00 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.85 2jca h LEU 26 Cb 0.00 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2jca h LEU 26 CO 0.00 -0.28 0.18 0.00 -0.34 0.00 0.00 178.44 178.00 2jca h ALA 27 N 0.46 0.59 0.00 1.25 0.00 -1.73 0.61 119.26 120.44 2jca h ALA 27 Ca 0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2jca h ALA 27 Cb 0.40 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2jca h ALA 27 CO -0.12 -0.21 -0.08 0.78 0.00 0.00 0.00 179.25 179.61 2jca h GLY 28 N 0.36 0.00 1.33 0.00 0.00 -1.59 0.21 103.07 103.38 2jca h GLY 28 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.29 2jca h GLY 28 CO -0.23 0.00 -1.47 3.21 0.00 0.00 0.00 176.54 178.06 2jca h ARG 29 N 0.00 0.02 0.25 4.80 3.08 0.90 -3.38 114.38 120.04 2jca h ARG 29 Ca -0.00 -0.03 -0.34 0.00 0.07 0.00 0.00 59.98 59.68 2jca h ARG 29 Cb 0.27 0.01 0.04 0.00 0.08 0.00 0.00 29.97 30.37 2jca h ARG 29 CO 0.01 0.71 -1.51 -0.07 -1.07 0.00 0.00 179.97 178.03 2jca h LEU 30 N 0.00 0.82 -8.45 3.04 3.38 0.55 -3.32 115.31 111.33 2jca h LEU 30 Ca -0.19 -0.92 -0.57 0.00 0.09 0.00 0.00 57.88 56.28 2jca h LEU 30 Cb 1.93 -0.27 -0.28 0.00 0.09 0.00 0.00 40.66 42.14 2jca h LEU 30 CO 0.10 1.72 -0.84 -0.36 0.09 0.00 0.00 178.44 179.15 2jca s PHE 31 N -2.59 1.74 0.63 1.13 0.08 0.69 -4.42 117.98 115.24 2jca s PHE 31 Ca -0.10 -0.35 -0.14 0.00 0.12 0.00 0.00 56.93 56.46 2jca s PHE 31 Cb 0.04 -1.08 -0.02 0.00 -0.57 0.00 0.00 43.02 41.39 2jca s PHE 31 CO 0.93 0.03 1.06 -0.51 -0.10 0.00 0.00 175.22 176.63 2jca s LEU 32 N -0.82 3.37 0.22 -0.37 1.43 -1.26 -4.61 118.68 116.64 2jca s LEU 32 Ca 0.07 1.75 -0.07 0.00 -1.03 0.00 0.00 54.13 54.85 2jca s LEU 32 Cb -0.08 -4.52 0.18 0.00 0.03 0.00 0.00 46.19 41.80 2jca s LEU 32 CO 0.01 -1.27 1.82 -0.08 0.23 0.00 0.00 176.35 177.05 2jca h GLU 33 N 0.04 1.22 -0.11 1.70 4.57 -1.97 -2.12 114.58 117.91 2jca h GLU 33 Ca -0.46 -0.18 0.03 0.00 -1.18 0.00 0.00 59.36 57.58 2jca h GLU 33 Cb 1.22 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2jca h GLU 33 CO 0.57 0.93 0.15 0.66 -1.18 0.00 0.00 179.01 180.14 2jca h SER 34 N 1.20 0.00 1.82 1.04 4.64 -1.93 -1.14 113.55 119.18 2jca h SER 34 Ca 0.29 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.58 2jca h SER 34 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2jca h SER 34 CO -0.04 0.00 -0.16 -0.33 -0.87 0.00 0.00 176.83 175.43 2jca h GLU 35 N 0.00 0.00 0.00 4.77 5.08 -1.67 -3.29 114.58 119.46 2jca h GLU 35 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2jca h GLU 35 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2jca h GLU 35 CO -0.00 0.16 -0.04 1.28 -1.00 0.00 0.00 179.01 179.41 2jca n LEU 36 N -3.14 0.42 -3.94 1.33 4.77 -0.43 -4.88 117.00 111.13 2jca n LEU 36 Ca 0.03 0.51 -0.13 0.00 -0.03 0.00 0.00 56.01 56.39 2jca n LEU 36 Cb 0.59 -0.40 -0.13 0.00 -2.33 0.00 0.00 43.42 41.15 2jca n LEU 36 CO 0.36 -0.08 -0.38 -0.76 -1.33 0.00 0.00 177.39 175.20 2jca s LEU 37 N -3.76 2.08 0.85 2.23 1.43 -1.24 -1.02 118.68 119.24 2jca s LEU 37 Ca 0.12 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 2jca s LEU 37 Cb 0.16 -0.09 0.10 0.00 0.03 0.00 0.00 46.19 46.39 2jca s LEU 37 CO 0.57 -0.06 1.12 -0.76 0.23 0.00 0.00 176.35 177.46 2jca s LEU 38 N -0.49 2.33 0.35 1.79 1.02 0.12 -4.91 118.68 118.89 2jca s LEU 38 Ca -0.03 1.12 0.03 0.00 0.02 0.00 0.00 54.13 55.26 2jca s LEU 38 Cb -0.04 -3.60 0.64 0.00 0.02 0.00 0.00 46.19 43.22 2jca s LEU 38 CO -0.00 -2.22 1.98 -0.65 0.02 0.00 0.00 176.35 175.47 2jca h PRO 39 N -1.27 0.75 0.00 1.29 0.11 -1.95 0.02 132.00 130.95 2jca h PRO 39 Ca -0.49 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2jca h PRO 39 Cb 1.30 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jca h PRO 39 CO 0.61 0.55 0.00 0.41 -0.21 0.00 0.00 178.00 179.35 2jca n GLY 40 N -1.30 -0.55 0.78 -0.55 0.00 -1.26 -4.87 105.19 97.43 2jca n GLY 40 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.06 0.75 3.76 -0.02 0.00 -0.01 -5.06 105.19 104.67 2jca n GLY 41 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2jca n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jca s GLU 42 N -0.74 3.50 -0.07 1.61 8.01 -1.26 -4.66 118.70 125.10 2jca s GLU 42 Ca 0.00 1.96 -0.20 0.00 0.01 0.00 0.00 54.97 56.74 2jca s GLU 42 Cb 0.00 -2.34 -0.04 0.00 -4.31 0.00 0.00 34.13 27.44 2jca s GLU 42 CO 0.00 -0.82 0.56 0.50 0.01 0.00 0.00 175.26 175.52 2jca s ARG 43 N -2.79 4.34 0.33 1.61 3.52 -1.26 0.15 118.95 124.84 2jca s ARG 43 Ca 0.67 0.64 -0.29 0.00 -0.13 0.00 0.00 55.73 56.62 2jca s ARG 43 Cb -0.33 -3.40 -0.10 0.00 -1.56 0.00 0.00 34.95 29.55 2jca s ARG 43 CO 0.40 0.22 1.32 1.03 -0.81 0.00 0.00 175.30 177.47 2jca s ARG 44 N 0.34 4.34 0.71 5.12 0.52 -0.19 -4.93 118.95 124.86 2jca s ARG 44 Ca 0.30 2.24 -0.10 0.00 -0.52 0.00 0.00 55.73 57.65 2jca s ARG 44 Cb -0.17 -3.07 0.16 0.00 0.52 0.00 0.00 34.95 32.39 2jca s ARG 44 CO 0.14 -0.22 0.96 0.41 0.02 0.00 0.00 175.30 176.62 2jca n GLY 45 N 0.90 -0.96 0.22 -3.53 0.00 -1.26 -4.85 105.19 95.70 2jca n GLY 45 Ca 0.01 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 2jca n GLY 45 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jca h VAL 46 N -1.37 1.31 -0.53 1.61 2.07 -1.97 -2.25 116.25 115.13 2jca h VAL 46 Ca -0.31 -1.83 -0.05 0.00 0.82 0.00 0.00 66.70 65.33 2jca h VAL 46 Cb 0.91 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2jca h VAL 46 CO 0.24 0.57 0.15 0.00 0.02 0.00 0.00 177.57 178.55 2jca h ALA 47 N 0.89 0.70 -0.34 1.67 0.00 -1.89 0.15 119.26 120.45 2jca h ALA 47 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2jca h ALA 47 Cb 1.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2jca h ALA 47 CO 0.11 0.38 -0.23 1.03 0.00 0.00 0.00 179.25 180.55 2jca h SER 48 N 0.74 0.66 -0.47 0.00 0.87 -1.89 -1.15 113.55 112.30 2jca h SER 48 Ca 0.17 -0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.41 2jca h SER 48 Cb 0.31 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2jca h SER 48 CO -0.00 0.88 -0.05 -0.07 -0.53 0.00 0.00 176.83 177.06 2jca h LEU 49 N 0.58 0.86 -0.91 2.23 3.38 -1.14 -2.46 115.31 117.85 2jca h LEU 49 Ca 0.08 -0.33 0.12 0.00 0.09 0.00 0.00 57.88 57.84 2jca h LEU 49 Cb 0.70 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 2jca h LEU 49 CO 0.05 0.99 0.54 0.00 0.09 0.00 0.00 178.44 180.11 2jca h ALA 50 N 0.90 1.36 -0.26 1.53 0.00 -0.31 0.10 119.26 122.58 2jca h ALA 50 Ca 0.13 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2jca h ALA 50 Cb 0.58 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2jca h ALA 50 CO 0.03 0.12 -0.13 0.00 0.00 0.00 0.00 179.25 179.28 2jca h ALA 51 N 1.51 1.29 0.01 0.00 0.00 -1.05 0.26 119.26 121.28 2jca h ALA 51 Ca 0.46 -0.26 -0.25 0.00 0.00 0.00 0.00 54.91 54.86 2jca h ALA 51 Cb 0.48 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2jca h ALA 51 CO -0.28 0.47 -1.02 0.00 0.00 0.00 0.00 179.25 178.43 2jca h ARG 52 N 0.41 0.55 -0.41 0.00 3.08 -0.87 -0.95 114.38 116.19 2jca h ARG 52 Ca 0.08 -0.60 -0.08 0.00 0.07 0.00 0.00 59.98 59.45 2jca h ARG 52 Cb 0.48 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 2jca h ARG 52 CO 0.03 1.22 -0.06 0.35 -1.07 0.00 0.00 179.97 180.44 2jca h PHE 53 N 0.30 0.75 -0.59 3.04 3.57 -0.46 -2.54 116.94 121.01 2jca h PHE 53 Ca -0.11 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.24 2jca h PHE 53 Cb 1.66 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 40.17 2jca h PHE 53 CO 0.08 0.74 0.21 0.00 -2.23 0.00 0.00 178.31 177.10 2jca h ALA 54 N 1.29 1.26 -0.77 2.41 0.00 -0.27 -1.41 119.26 121.77 2jca h ALA 54 Ca 0.12 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2jca h ALA 54 Cb 0.49 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2jca h ALA 54 CO 0.03 0.53 0.29 0.00 0.00 0.00 0.00 179.25 180.10 2jca h ALA 55 N 1.38 1.06 -0.44 0.00 0.00 -0.90 0.30 119.26 120.66 2jca h ALA 55 Ca 0.20 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2jca h ALA 55 Cb 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jca h ALA 55 CO -0.01 0.66 -0.26 0.87 0.00 0.00 0.00 179.25 180.51 2jca h LYS 56 N 1.12 0.94 -0.62 0.00 1.57 -1.02 0.18 116.57 118.74 2jca h LYS 56 Ca 0.25 -0.43 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 2jca h LYS 56 Cb 0.24 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2jca h LYS 56 CO -0.02 1.09 0.07 0.93 -0.57 0.00 0.00 179.45 180.96 2jca h GLU 57 N 0.78 1.03 -0.60 3.15 4.39 -1.00 -0.12 114.58 122.21 2jca h GLU 57 Ca 0.09 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.41 2jca h GLU 57 Cb 0.84 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 2jca h GLU 57 CO 0.07 0.97 -0.01 0.00 -1.16 0.00 0.00 179.01 178.88 2jca h ALA 58 N 1.10 0.85 -0.24 3.43 0.00 -0.14 -1.34 119.26 122.92 2jca h ALA 58 Ca 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2jca h ALA 58 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jca h ALA 58 CO 0.02 0.67 0.11 1.25 0.00 0.00 0.00 179.25 181.30 2jca h LEU 59 N 0.96 0.32 -0.58 0.00 5.85 -0.31 0.87 115.31 122.42 2jca h LEU 59 Ca 0.17 -0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.87 2jca h LEU 59 Cb 0.57 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 2jca h LEU 59 CO 0.03 0.36 0.10 0.00 -0.34 0.00 0.00 178.44 178.59 2jca h ALA 60 N 0.97 0.65 -0.42 1.25 0.00 -0.75 -0.57 119.26 120.39 2jca h ALA 60 Ca 0.08 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2jca h ALA 60 Cb 0.13 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2jca h ALA 60 CO -0.01 -0.32 0.11 0.87 0.00 0.00 0.00 179.25 179.90 2jca h LYS 61 N 0.23 0.67 0.00 0.00 1.57 -1.12 -0.70 116.57 117.21 2jca h LYS 61 Ca 0.30 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2jca h LYS 61 Cb 0.45 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 2jca h LYS 61 CO -0.41 0.68 -0.07 0.00 -0.57 0.00 0.00 179.45 179.08 2jca h ALA 62 N 0.97 1.71 -0.02 3.86 0.00 -0.12 -1.33 119.26 124.33 2jca h ALA 62 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jca h ALA 62 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jca h ALA 62 CO -0.00 0.09 -0.00 1.28 0.00 0.00 0.00 179.25 180.61 2jca n LEU 63 N -4.20 1.57 0.00 0.00 4.77 -0.29 -4.18 117.00 114.67 2jca n LEU 63 Ca -0.03 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 2jca n LEU 63 Cb 0.15 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2jca n LEU 63 CO 0.33 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2jca n GLY 64 N 1.19 0.49 3.77 -0.72 0.00 -0.50 -4.99 105.19 104.42 2jca n GLY 64 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2jca n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jca n ALA 65 N 1.00 2.44 0.03 4.61 0.00 -0.34 -4.95 120.51 123.30 2jca n ALA 65 Ca 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 53.44 53.72 2jca n ALA 65 Cb 0.06 -2.43 -0.11 0.00 0.00 0.00 0.00 19.45 16.96 2jca n ALA 65 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2jca h PRO 66 N 3.30 0.00 -1.13 0.00 0.13 -1.94 -3.42 132.00 128.94 2jca h PRO 66 Ca -0.50 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.25 2jca h PRO 66 Cb 1.24 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.97 2jca h PRO 66 CO 0.67 0.68 -1.19 0.00 -0.23 0.00 0.00 178.00 177.92 2jca n ALA 67 N -2.43 3.28 -0.35 -0.56 0.00 -1.26 -5.13 120.51 114.06 2jca n ALA 67 Ca -0.08 -3.18 0.00 0.00 0.00 0.00 0.00 53.44 50.18 2jca n ALA 67 Cb 0.96 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.03 -0.39 3.21 0.00 0.00 -1.26 -4.98 105.19 101.74 2jca n GLY 68 Ca 0.11 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 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 1.52 -0.89 0.99 1.43 -1.26 -4.93 118.68 115.55 2jca s LEU 69 Ca 0.00 -1.32 -0.25 0.00 -1.03 0.00 0.00 54.13 51.54 2jca s LEU 69 Cb 0.00 0.24 -0.03 0.00 0.03 0.00 0.00 46.19 46.42 2jca s LEU 69 CO 0.00 -0.76 1.88 -0.22 0.23 0.00 0.00 176.35 177.49 2jca s LEU 70 N -3.16 3.21 0.46 1.79 0.20 -1.26 -4.85 118.68 115.07 2jca s LEU 70 Ca 0.33 -0.67 0.19 0.00 0.69 0.00 0.00 54.13 54.67 2jca s LEU 70 Cb 0.07 -2.56 1.17 0.00 -0.43 0.00 0.00 46.19 44.44 2jca s LEU 70 CO 0.09 -2.59 1.93 -0.50 -0.29 0.00 0.00 176.35 175.00 2jca h TRP 71 N 11.41 0.33 0.00 5.38 4.06 -1.89 0.28 115.95 135.52 2jca h TRP 71 Ca 0.08 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.04 2jca h TRP 71 Cb 1.02 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 29.07 2jca h TRP 71 CO 1.21 0.12 0.00 0.25 -3.56 0.00 0.00 178.44 176.46 2jca n THR 72 N -4.44 0.62 1.87 1.49 -2.24 -1.25 -1.85 114.28 108.48 2jca n THR 72 Ca 0.14 0.11 0.15 0.00 -2.27 0.00 0.00 64.05 62.18 2jca n THR 72 Cb 0.58 -0.83 0.82 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.70 0.38 -4.19 3.42 9.92 0.98 -4.76 116.55 120.60 2jca n ASP 73 Ca 0.05 -1.15 -0.26 0.00 -0.53 0.00 0.00 54.79 52.90 2jca n ASP 73 Cb 0.26 -0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.58 2jca n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jca s ALA 74 N -2.00 1.55 -0.07 2.24 0.00 -0.77 -1.13 121.76 121.59 2jca s ALA 74 Ca 0.44 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 2jca s ALA 74 Cb 0.21 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.96 2jca s ALA 74 CO 0.35 0.38 -0.01 -2.00 0.00 0.00 0.00 175.76 174.48 2jca s GLU 75 N -0.43 0.70 -0.18 0.00 2.12 0.43 -4.83 118.70 116.51 2jca s GLU 75 Ca 0.07 0.05 -0.19 0.00 0.36 0.00 0.00 54.97 55.25 2jca s GLU 75 Cb -0.07 -0.98 -0.03 0.00 0.26 0.00 0.00 34.13 33.30 2jca s GLU 75 CO -0.01 -0.26 0.56 0.08 -0.54 0.00 0.00 175.26 175.09 2jca s VAL 76 N 1.75 5.09 0.36 3.70 1.01 -1.26 0.06 120.40 131.11 2jca s VAL 76 Ca 0.02 1.05 0.03 0.00 0.00 0.00 0.00 61.98 63.08 2jca s VAL 76 Cb -0.13 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2jca s VAL 76 CO -0.05 0.18 0.09 -1.66 0.00 0.00 0.00 175.10 173.66 2jca s TRP 77 N 1.56 1.85 -0.10 5.22 1.48 -0.72 -4.75 118.94 123.48 2jca s TRP 77 Ca 0.26 -1.11 0.01 0.00 -1.06 0.00 0.00 56.10 54.20 2jca s TRP 77 Cb -0.16 -1.20 0.02 0.00 -1.16 0.00 0.00 33.47 30.97 2jca s TRP 77 CO 0.10 -0.15 -0.14 0.08 -4.06 0.00 0.00 176.95 172.79 2jca s VAL 78 N -3.30 1.37 0.64 -0.66 1.01 -1.26 -0.19 120.40 118.01 2jca s VAL 78 Ca 0.31 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 2jca s VAL 78 Cb 0.06 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 2jca s VAL 78 CO 0.15 0.42 1.21 -1.61 0.00 0.00 0.00 175.10 175.27 2jca s GLU 79 N 1.04 2.71 0.29 2.72 2.02 -0.01 -4.89 118.70 122.57 2jca s GLU 79 Ca -0.06 1.82 0.03 0.00 0.02 0.00 0.00 54.97 56.78 2jca s GLU 79 Cb -0.15 -1.90 0.71 0.00 0.10 0.00 0.00 34.13 32.90 2jca s GLU 79 CO -0.02 -1.41 1.68 0.00 0.02 0.00 0.00 175.26 175.54 2jca h ALA 80 N 0.51 1.37 0.00 5.21 0.00 -2.00 0.32 119.26 124.68 2jca h ALA 80 Ca -0.50 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2jca h ALA 80 Cb 1.30 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2jca h ALA 80 CO 0.53 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.81 2jca n GLY 81 N -1.35 -1.17 0.00 0.00 0.00 -1.26 -4.92 105.19 96.50 2jca n GLY 81 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2jca n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jca n GLY 82 N 0.39 1.64 3.69 -0.02 0.00 0.11 -5.09 105.19 105.91 2jca n GLY 82 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.22 4.30 0.67 1.61 3.52 -1.26 -4.70 118.95 122.87 2jca s ARG 83 Ca 0.00 1.95 -0.15 0.00 -0.13 0.00 0.00 55.73 57.40 2jca s ARG 83 Cb 0.00 -3.52 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 2jca s ARG 83 CO 0.00 -0.53 1.12 -1.25 -0.81 0.00 0.00 175.30 173.82 2jca s PRO 84 N 2.17 2.73 0.06 5.12 0.04 -1.26 -0.83 135.00 143.03 2jca s PRO 84 Ca 0.63 1.41 -0.05 0.00 0.04 0.00 0.00 61.00 63.03 2jca s PRO 84 Cb -0.31 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 2jca s PRO 84 CO 0.27 -1.31 0.08 1.03 0.04 0.00 0.00 177.00 177.11 2jca s ARG 85 N -4.11 0.69 -0.09 4.56 1.81 0.74 -4.61 118.95 117.93 2jca s ARG 85 Ca 0.67 -1.03 0.03 0.00 -1.72 0.00 0.00 55.73 53.69 2jca s ARG 85 Cb -0.21 0.26 -0.01 0.00 -0.45 0.00 0.00 34.95 34.55 2jca s ARG 85 CO 0.42 -0.18 -0.20 -0.51 -0.68 0.00 0.00 175.30 174.16 2jca s LEU 86 N -2.73 2.35 -0.13 2.53 1.43 -1.26 -1.75 118.68 119.12 2jca s LEU 86 Ca 0.04 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2jca s LEU 86 Cb 0.05 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.78 2jca s LEU 86 CO -0.09 0.20 -0.15 -0.60 0.23 0.00 0.00 176.35 175.94 2jca s ARG 87 N 0.13 3.33 0.00 1.70 3.52 0.11 -4.95 118.95 122.79 2jca s ARG 87 Ca -0.10 -0.72 0.08 0.00 -0.13 0.00 0.00 55.73 54.86 2jca s ARG 87 Cb -0.16 -2.58 -0.02 0.00 -1.56 0.00 0.00 34.95 30.63 2jca s ARG 87 CO 0.06 0.21 -0.23 0.14 -0.81 0.00 0.00 175.30 174.66 2jca s VAL 88 N 0.35 1.86 0.24 7.11 -7.23 -1.26 -0.43 120.40 121.05 2jca s VAL 88 Ca -0.12 -1.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.96 2jca s VAL 88 Cb -0.16 -1.56 -0.05 0.00 0.56 0.00 0.00 36.38 35.17 2jca s VAL 88 CO 0.06 0.45 0.12 0.42 -0.31 0.00 0.00 175.10 175.84 2jca s THR 89 N -0.63 0.31 0.00 5.32 -4.23 -0.29 -4.54 115.64 111.59 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 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.18 2jca s THR 89 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2jca n GLY 90 N -0.40 3.07 0.36 3.99 0.00 -1.26 -1.76 105.19 109.18 2jca n GLY 90 Ca 0.01 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.36 2jca n GLY 90 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2jca h THR 91 N 0.00 0.91 0.10 2.61 2.02 -1.95 -0.32 112.91 116.28 2jca h THR 91 Ca 0.00 -0.17 -0.28 0.00 0.77 0.00 0.00 66.41 66.72 2jca h THR 91 Cb 0.00 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2jca h THR 91 CO 0.00 0.09 -1.47 0.58 0.37 0.00 0.00 175.52 175.10 2jca h VAL 92 N 0.51 0.97 -0.17 3.16 2.07 -1.59 -2.70 116.25 118.50 2jca h VAL 92 Ca 0.31 -2.37 0.02 0.00 0.82 0.00 0.00 66.70 65.48 2jca h VAL 92 Cb 0.52 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 2jca h VAL 92 CO -0.10 0.69 0.11 0.00 0.02 0.00 0.00 177.57 178.30 2jca h ALA 93 N -0.07 1.98 0.10 1.67 0.00 -1.35 0.11 119.26 121.69 2jca h ALA 93 Ca -0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2jca h ALA 93 Cb 1.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2jca h ALA 93 CO 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 179.25 179.23 2jca h ALA 94 N 1.90 -0.14 -0.24 0.00 0.00 -1.09 0.29 119.26 119.99 2jca h ALA 94 Ca 0.07 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2jca h ALA 94 Cb 0.10 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2jca h ALA 94 CO -0.01 -0.41 -0.14 -0.09 0.00 0.00 0.00 179.25 178.60 2jca h ARG 95 N -0.47 -0.11 -0.54 0.00 2.43 -1.13 -0.56 114.38 114.00 2jca h ARG 95 Ca -0.01 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.27 2jca h ARG 95 Cb 0.38 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.86 2jca h ARG 95 CO 0.02 -0.08 -0.08 0.00 -1.51 0.00 0.00 179.97 178.33 2jca h ALA 96 N 1.06 0.43 -0.69 2.80 0.00 -0.77 -2.46 119.26 119.64 2jca h ALA 96 Ca 0.13 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 2jca h ALA 96 Cb 0.32 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2jca h ALA 96 CO -0.31 -0.42 0.24 0.00 0.00 0.00 0.00 179.25 178.76 2jca h ALA 97 N 1.52 0.90 0.00 0.00 0.00 -0.08 -2.12 119.26 119.49 2jca h ALA 97 Ca 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jca h ALA 97 Cb 0.42 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jca h ALA 97 CO -0.52 0.55 0.00 1.05 0.00 0.00 0.00 179.25 180.34 2jca h GLU 98 N 1.00 0.00 0.00 0.00 4.11 -0.68 -2.04 114.58 116.97 2jca h GLU 98 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 2jca h GLU 98 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2jca h GLU 98 CO -0.01 0.00 -0.83 -0.07 0.07 0.00 0.00 179.01 178.17 2jca h LEU 99 N 0.00 0.00 0.00 3.06 3.38 -1.12 -3.49 115.31 117.14 2jca h LEU 99 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jca h LEU 99 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2jca h LEU 99 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2jca n GLY 100 N 1.17 0.91 3.70 0.83 0.00 -0.77 -5.05 105.19 105.99 2jca n GLY 100 Ca 0.01 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 2jca n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jca s VAL 101 N -2.00 4.24 -0.62 1.61 0.11 -1.01 -4.42 120.40 118.31 2jca s VAL 101 Ca 0.00 1.60 0.15 0.00 -2.93 0.00 0.00 61.98 60.79 2jca s VAL 101 Cb 0.00 -4.02 -0.17 0.00 -1.53 0.00 0.00 36.38 30.66 2jca s VAL 101 CO 0.00 0.08 0.59 0.00 -3.33 0.00 0.00 175.10 172.44 2jca n ALA 102 N 4.42 3.77 -3.64 1.54 0.00 0.24 -4.83 120.51 122.01 2jca n ALA 102 Ca 0.09 -0.41 -0.05 0.00 0.00 0.00 0.00 53.44 53.07 2jca n ALA 102 Cb 0.47 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 2jca n ALA 102 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jca s SER 103 N -2.56 -1.00 0.00 0.00 0.15 -1.02 -5.01 113.70 104.27 2jca s SER 103 Ca 0.04 1.53 -0.01 0.00 0.70 0.00 0.00 55.95 58.21 2jca s SER 103 Cb 0.11 1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 66.04 2jca s SER 103 CO 0.61 -0.23 0.11 0.26 1.20 0.00 0.00 173.24 175.19 2jca s TRP 104 N 2.01 3.36 -0.08 3.44 0.52 -1.26 -0.55 118.94 126.38 2jca s TRP 104 Ca -0.09 0.24 0.02 0.00 0.02 0.00 0.00 56.10 56.30 2jca s TRP 104 Cb -0.07 -1.76 0.01 0.00 -1.15 0.00 0.00 33.47 30.51 2jca s TRP 104 CO -0.20 0.58 -0.13 -1.01 0.02 0.00 0.00 176.95 176.21 2jca s HIS 105 N -1.26 1.61 -0.01 -1.98 3.76 0.13 -4.98 115.29 112.57 2jca s HIS 105 Ca 0.25 -0.64 0.02 0.00 -0.15 0.00 0.00 55.06 54.55 2jca s HIS 105 Cb -0.12 -1.17 -0.01 0.00 1.11 0.00 0.00 32.58 32.39 2jca s HIS 105 CO 0.16 -0.32 -0.08 0.54 -0.85 0.00 0.00 174.74 174.19 2jca s VAL 106 N 0.73 0.63 0.01 -0.90 0.11 -1.26 -0.86 120.40 118.86 2jca s VAL 106 Ca -0.13 -0.35 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 2jca s VAL 106 Cb -0.16 -0.53 -0.01 0.00 -1.53 0.00 0.00 36.38 34.15 2jca s VAL 106 CO 0.03 0.17 -0.10 -0.55 -3.33 0.00 0.00 175.10 171.32 2jca s SER 107 N -0.21 1.20 0.06 3.54 0.15 -0.61 -4.61 113.70 113.22 2jca s SER 107 Ca 0.03 -0.28 0.08 0.00 0.70 0.00 0.00 55.95 56.48 2jca s SER 107 Cb -0.03 -0.10 -0.03 0.00 -1.71 0.00 0.00 66.02 64.15 2jca s SER 107 CO -0.00 0.06 -0.23 -0.76 1.20 0.00 0.00 173.24 173.50 2jca s LEU 108 N -0.59 2.19 0.04 3.45 1.43 -1.26 -1.28 118.68 122.66 2jca s LEU 108 Ca 0.02 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 2jca s LEU 108 Cb -0.05 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 45.08 2jca s LEU 108 CO 0.00 0.19 0.27 -0.94 0.23 0.00 0.00 176.35 176.10 2jca s SER 109 N -1.32 -0.07 -0.05 2.29 1.04 0.98 -4.97 113.70 111.60 2jca s SER 109 Ca 0.09 -0.25 -0.31 0.00 0.48 0.00 0.00 55.95 55.97 2jca s SER 109 Cb -0.09 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.43 2jca s SER 109 CO 0.02 -0.59 0.68 -1.38 0.98 0.00 0.00 173.24 172.95 2jca s HIS 110 N -2.55 -0.66 0.21 5.02 -3.43 -1.26 -0.10 115.29 112.53 2jca s HIS 110 Ca -0.05 1.14 0.01 0.00 -0.80 0.00 0.00 55.06 55.36 2jca s HIS 110 Cb -0.01 0.41 0.01 0.00 -1.43 0.00 0.00 32.58 31.56 2jca s HIS 110 CO -0.03 -0.61 0.06 -0.40 -2.00 0.00 0.00 174.74 171.76 2jca n ASP 111 N 0.93 2.26 0.25 7.38 5.68 -0.42 -5.01 116.55 127.63 2jca n ASP 111 Ca -0.19 -1.86 0.09 0.00 -0.50 0.00 0.00 54.79 52.33 2jca n ASP 111 Cb 0.57 0.09 0.66 0.00 -1.14 0.00 0.00 41.12 41.30 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 0.97 1.62 0.00 2.12 0.00 -2.01 -3.26 119.26 118.69 2jca h ALA 112 Ca -0.16 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 2jca h ALA 112 Cb 0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2jca h ALA 112 CO 0.26 0.13 -2.01 0.41 0.00 0.00 0.00 179.25 178.04 2jca n GLY 113 N -1.08 -0.85 3.02 0.00 0.00 -1.26 -4.72 105.19 100.30 2jca n GLY 113 Ca -0.02 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.88 0.89 0.09 -0.61 1.01 -1.23 -0.92 121.20 117.55 2jca s ILE 114 Ca -0.08 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.25 2jca s ILE 114 Cb 0.09 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 2jca s ILE 114 CO 0.74 0.28 -0.24 0.00 0.00 0.00 0.00 174.94 175.72 2jca s ALA 115 N 0.21 2.09 0.08 9.38 0.00 -0.19 -1.30 121.76 132.04 2jca s ALA 115 Ca -0.04 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 50.53 2jca s ALA 115 Cb -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.67 2jca s ALA 115 CO 0.01 0.47 0.22 -1.54 0.00 0.00 0.00 175.76 174.92 2jca s SER 116 N -1.66 0.06 0.00 0.00 1.04 0.86 -0.83 113.70 113.18 2jca s SER 116 Ca 0.10 -0.55 -0.17 0.00 0.48 0.00 0.00 55.95 55.81 2jca s SER 116 Cb -0.10 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.40 2jca s SER 116 CO 0.04 -0.71 0.36 0.00 0.98 0.00 0.00 173.24 173.91 2jca s ALA 117 N -3.61 -0.90 0.02 5.32 0.00 -0.51 -0.01 121.76 122.06 2jca s ALA 117 Ca 0.03 0.36 0.04 0.00 0.00 0.00 0.00 51.96 52.39 2jca s ALA 117 Cb 0.03 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 2jca s ALA 117 CO -0.10 -0.34 -0.12 0.54 0.00 0.00 0.00 175.76 175.75 2jca s VAL 118 N -1.75 0.95 -0.05 0.00 0.11 -0.40 -1.72 120.40 117.54 2jca s VAL 118 Ca -0.10 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 2jca s VAL 118 Cb -0.03 -0.84 0.01 0.00 -1.53 0.00 0.00 36.38 33.99 2jca s VAL 118 CO 0.02 0.09 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.09 2jca s VAL 119 N -0.60 1.00 -0.16 2.04 1.01 -0.20 -1.58 120.40 121.92 2jca s VAL 119 Ca 0.02 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2jca s VAL 119 Cb -0.06 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.41 2jca s VAL 119 CO 0.00 0.32 -0.18 -0.63 0.00 0.00 0.00 175.10 174.61 2jca s ILE 120 N 0.50 2.34 -0.21 2.22 1.01 -0.04 -0.62 121.20 126.40 2jca s ILE 120 Ca -0.10 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 59.55 2jca s ILE 120 Cb -0.13 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 2jca s ILE 120 CO 0.02 0.53 0.26 0.00 0.00 0.00 0.00 174.94 175.75 2jca s ALA 121 N 0.96 3.60 0.31 9.38 0.00 0.08 -0.70 121.76 135.39 2jca s ALA 121 Ca -0.03 -0.68 0.08 0.00 0.00 0.00 0.00 51.96 51.33 2jca s ALA 121 Cb -0.15 -2.43 -0.06 0.00 0.00 0.00 0.00 23.12 20.49 2jca s ALA 121 CO -0.04 -0.16 -0.08 -1.83 0.00 0.00 0.00 175.76 173.66 2jca s GLU 122 N 0.99 1.67 0.00 0.00 -1.05 0.29 0.14 118.70 120.74 2jca s GLU 122 Ca 0.13 -1.85 0.00 0.00 -0.15 0.00 0.00 54.97 53.10 2jca s GLU 122 Cb -0.14 -1.42 0.00 0.00 -0.44 0.00 0.00 34.13 32.13 2jca s GLU 122 CO 0.05 0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.76