#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtd s GLU 2 N 0.00 2.95 0.06 3.49 2.02 -1.26 -5.13 118.70 120.83 2jtd s GLU 2 Ca 0.00 -1.13 0.02 0.00 0.02 0.00 0.00 54.97 53.89 2jtd s GLU 2 Cb 0.00 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 2jtd s GLU 2 CO 0.00 0.11 -0.08 -1.21 0.02 0.00 0.00 175.26 174.10 2jtd s GLU 3 N -4.07 0.65 0.53 1.61 0.41 -1.26 -5.04 118.70 111.52 2jtd s GLU 3 Ca 0.42 -0.95 0.31 0.00 -0.41 0.00 0.00 54.97 54.35 2jtd s GLU 3 Cb -0.08 -0.33 1.25 0.00 -1.78 0.00 0.00 34.13 33.19 2jtd s GLU 3 CO 0.29 0.05 1.94 1.98 -0.49 0.00 0.00 175.26 179.03 2jtd h MET 4 N 4.03 0.00 -0.61 1.61 1.85 -2.00 -2.88 114.93 116.92 2jtd h MET 4 Ca -0.36 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 58.68 2jtd h MET 4 Cb 1.19 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 33.19 2jtd h MET 4 CO 0.47 0.05 0.20 0.87 -0.40 0.00 0.00 176.91 178.10 2jtd h LYS 5 N 0.00 0.92 0.00 0.39 6.56 -2.02 -1.92 116.57 120.50 2jtd h LYS 5 Ca -0.00 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 2jtd h LYS 5 Cb 0.57 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 2jtd h LYS 5 CO 0.01 0.79 0.00 0.00 -2.06 0.00 0.00 179.45 178.18 2jtd h ARG 6 N 0.89 0.00 0.00 3.15 2.47 -1.90 -2.96 114.38 116.03 2jtd h ARG 6 Ca 0.20 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.84 2jtd h ARG 6 Cb 0.24 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 2jtd h ARG 6 CO -0.01 0.00 -0.41 1.25 0.56 0.00 0.00 179.97 181.36 2jtd h LEU 7 N 0.00 0.00 -0.56 3.04 7.12 -1.41 -3.26 115.31 120.25 2jtd h LEU 7 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2jtd h LEU 7 Cb 0.77 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.90 2jtd h LEU 7 CO 0.00 0.41 0.07 0.18 -0.13 0.00 0.00 178.44 178.97 2jtd n LEU 8 N -3.34 0.22 -0.01 2.25 4.77 -1.10 -1.23 117.00 118.56 2jtd n LEU 8 Ca 0.01 0.55 -0.01 0.00 -0.03 0.00 0.00 56.01 56.53 2jtd n LEU 8 Cb 0.61 -0.57 0.26 0.00 -2.33 0.00 0.00 43.42 41.39 2jtd n LEU 8 CO 0.38 -0.63 0.88 0.00 -1.33 0.00 0.00 177.39 176.69 2jtd h ALA 9 N 1.76 1.28 -2.48 -1.18 0.00 -1.78 -3.43 119.26 113.42 2jtd h ALA 9 Ca 0.00 -0.24 -0.53 0.00 0.00 0.00 0.00 54.91 54.14 2jtd h ALA 9 Cb 0.15 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jtd h ALA 9 CO 0.00 0.48 0.74 -1.17 0.00 0.00 0.00 179.25 179.30 2jtd s LEU 10 N -8.98 4.35 0.00 0.00 2.96 -0.37 -4.88 118.68 111.76 2jtd s LEU 10 Ca -0.08 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.04 2jtd s LEU 10 Cb 0.15 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.26 2jtd s LEU 10 CO 0.78 -0.65 0.00 -1.20 -1.32 0.00 0.00 176.35 173.96 2jtd n SER 11 N 4.42 0.00 -3.43 3.68 7.64 -1.26 -5.10 113.62 119.57 2jtd n SER 11 Ca 0.12 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.01 2jtd n SER 11 Cb 0.43 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.59 2jtd n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jtd s GLN 12 N 0.64 0.31 0.06 1.43 0.00 -1.26 -5.16 119.66 115.69 2jtd s GLN 12 Ca 0.00 0.76 -0.24 0.00 -0.00 0.00 0.00 55.36 55.88 2jtd s GLN 12 Cb 0.00 0.43 -0.06 0.00 0.00 0.00 0.00 33.01 33.38 2jtd s GLN 12 CO 0.00 -0.10 0.73 -1.21 0.00 0.00 0.00 175.29 174.71 2jtd s GLU 13 N 2.38 4.47 -0.35 9.60 8.01 -1.26 -4.96 118.70 136.58 2jtd s GLU 13 Ca -0.03 1.02 0.04 0.00 0.01 0.00 0.00 54.97 56.01 2jtd s GLU 13 Cb -0.06 -3.33 0.32 0.00 -4.31 0.00 0.00 34.13 26.75 2jtd s GLU 13 CO -0.17 0.38 1.33 1.58 0.01 0.00 0.00 175.26 178.39 2jtd n HIS 14 N 2.48 -0.97 -2.76 1.61 -0.00 -1.26 -5.13 115.22 109.18 2jtd n HIS 14 Ca -0.04 -1.03 -0.23 0.00 0.46 0.00 0.00 57.72 56.88 2jtd n HIS 14 Cb 0.50 1.27 0.03 0.00 -0.12 0.00 0.00 29.99 31.67 2jtd n HIS 14 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2jtd s LYS 15 N 0.10 2.80 -0.22 1.57 1.02 -1.26 -5.07 119.74 118.68 2jtd s LYS 15 Ca 0.21 -0.56 -0.19 0.00 0.02 0.00 0.00 55.97 55.45 2jtd s LYS 15 Cb 0.29 -2.49 -0.16 0.00 -0.52 0.00 0.00 37.83 34.95 2jtd s LYS 15 CO -0.17 -0.53 0.04 1.19 -0.92 0.00 0.00 175.35 174.97 2jtd n PHE 16 N -2.26 0.75 -0.93 3.18 3.72 -1.26 -4.47 117.46 116.18 2jtd n PHE 16 Ca 0.05 0.32 -0.28 0.00 -0.05 0.00 0.00 57.45 57.49 2jtd n PHE 16 Cb 0.59 -1.04 -0.02 0.00 -0.94 0.00 0.00 39.48 38.06 2jtd n PHE 16 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2jtd n PRO 17 N -4.40 2.62 -3.75 -1.08 -0.02 -1.26 -4.85 135.00 122.25 2jtd n PRO 17 Ca -0.36 -1.71 -0.26 0.00 -2.02 0.00 0.00 63.50 59.16 2jtd n PRO 17 Cb 0.70 -2.57 0.01 0.00 -0.02 0.00 0.00 33.50 31.62 2jtd n PRO 17 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2jtd s THR 18 N 3.01 1.61 0.24 3.45 -4.23 -1.26 -5.11 115.64 113.35 2jtd s THR 18 Ca 0.50 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 2jtd s THR 18 Cb 0.13 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 2jtd s THR 18 CO -0.04 0.00 0.43 0.68 -0.54 0.00 0.00 174.62 175.14 2jtd s VAL 19 N -2.79 5.18 -1.10 2.29 -7.23 -1.26 -4.98 120.40 110.50 2jtd s VAL 19 Ca 0.37 -0.45 0.05 0.00 -1.81 0.00 0.00 61.98 60.14 2jtd s VAL 19 Cb -0.03 -3.78 0.05 0.00 0.56 0.00 0.00 36.38 33.19 2jtd s VAL 19 CO 0.24 -0.28 1.12 -2.65 -0.31 0.00 0.00 175.10 173.22 2jtd n PRO 20 N -1.00 0.02 0.00 4.82 -0.02 -1.26 -4.40 135.00 133.15 2jtd n PRO 20 Ca -0.05 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2jtd n PRO 20 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 2jtd n PRO 20 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2jtd n THR 21 N -1.45 0.00 -1.16 3.45 -2.24 -1.26 -5.04 114.28 106.59 2jtd n THR 21 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2jtd n THR 21 Cb 0.05 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2jtd n THR 21 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jtd n LYS 22 N 0.00 0.00 -3.26 -0.78 4.76 -1.26 -4.99 118.16 112.62 2jtd n LYS 22 Ca 0.00 -0.11 -0.46 0.00 -2.87 0.00 0.00 58.31 54.86 2jtd n LYS 22 Cb 0.00 -0.42 -0.02 0.00 -1.84 0.00 0.00 35.03 32.75 2jtd n LYS 22 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2jtd s SER 23 N 0.00 6.81 -0.95 4.39 1.04 -1.23 -3.48 113.70 120.28 2jtd s SER 23 Ca 0.00 -2.70 -0.19 0.00 0.48 0.00 0.00 55.95 53.54 2jtd s SER 23 Cb 0.00 -2.24 0.12 0.00 0.10 0.00 0.00 66.02 63.99 2jtd s SER 23 CO 0.00 -0.62 1.18 -0.70 0.98 0.00 0.00 173.24 174.08 2jtd s GLU 24 N 0.43 3.61 -0.52 4.02 2.12 -1.20 -4.57 118.70 122.58 2jtd s GLU 24 Ca 0.22 -1.67 -0.28 0.00 0.36 0.00 0.00 54.97 53.60 2jtd s GLU 24 Cb -0.09 -4.99 0.03 0.00 0.26 0.00 0.00 34.13 29.34 2jtd s GLU 24 CO -0.09 -1.84 1.13 -1.17 -0.54 0.00 0.00 175.26 172.75 2jtd s LEU 25 N 3.04 3.61 0.07 2.70 1.98 -1.26 -3.14 118.68 125.68 2jtd s LEU 25 Ca 0.35 0.24 0.02 0.00 -2.89 0.00 0.00 54.13 51.84 2jtd s LEU 25 Cb -0.04 -3.32 -0.04 0.00 0.66 0.00 0.00 46.19 43.46 2jtd s LEU 25 CO -0.09 -1.33 -0.06 0.00 -1.89 0.00 0.00 176.35 172.97 2jtd s ALA 26 N 4.59 0.76 -0.10 5.97 0.00 -0.82 -5.04 121.76 127.12 2jtd s ALA 26 Ca 0.44 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 51.31 2jtd s ALA 26 Cb -0.08 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 2jtd s ALA 26 CO 0.28 -0.18 -0.21 0.54 0.00 0.00 0.00 175.76 176.19 2jtd s VAL 27 N -2.85 2.32 -0.24 0.00 0.11 -1.26 -2.47 120.40 116.01 2jtd s VAL 27 Ca 0.03 -0.93 -0.06 0.00 -2.93 0.00 0.00 61.98 58.09 2jtd s VAL 27 Cb 0.00 -1.91 -0.02 0.00 -1.53 0.00 0.00 36.38 32.92 2jtd s VAL 27 CO -0.04 0.55 0.03 -0.70 -3.33 0.00 0.00 175.10 171.61 2jtd s GLU 28 N 0.30 3.49 -0.28 1.54 2.56 0.13 -5.00 118.70 121.43 2jtd s GLU 28 Ca -0.16 -0.58 -0.11 0.00 0.00 0.00 0.00 54.97 54.13 2jtd s GLU 28 Cb -0.17 -3.21 -0.05 0.00 2.00 0.00 0.00 34.13 32.71 2jtd s GLU 28 CO 0.08 -0.22 0.19 0.42 -0.56 0.00 0.00 175.26 175.16 2jtd s ILE 29 N 1.55 5.24 -0.26 -3.70 1.09 -1.26 -0.90 121.20 122.96 2jtd s ILE 29 Ca 0.06 0.12 -0.03 0.00 -1.10 0.00 0.00 60.65 59.69 2jtd s ILE 29 Cb -0.15 -3.51 0.02 0.00 -1.06 0.00 0.00 42.46 37.76 2jtd s ILE 29 CO 0.01 0.24 -0.01 -0.76 -0.10 0.00 0.00 174.94 174.31 2jtd s LEU 30 N 1.75 3.39 0.00 2.97 1.43 -1.11 -4.63 118.68 122.47 2jtd s LEU 30 Ca 0.07 -0.78 0.12 0.00 -1.03 0.00 0.00 54.13 52.51 2jtd s LEU 30 Cb -0.16 -1.74 0.69 0.00 0.03 0.00 0.00 46.19 45.01 2jtd s LEU 30 CO 0.10 -0.14 1.12 -1.84 0.23 0.00 0.00 176.35 175.82 2jtd n GLU 31 N 4.74 0.46 0.00 1.70 -0.00 -1.26 -2.07 120.64 124.21 2jtd n GLU 31 Ca -0.16 0.00 0.15 0.00 -0.00 0.00 0.00 57.16 57.15 2jtd n GLU 31 Cb 0.48 -1.40 0.80 0.00 -0.00 0.00 0.00 31.44 31.31 2jtd n GLU 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2jtd n LYS 32 N -0.90 0.91 -0.09 3.44 4.01 -1.26 -4.85 118.16 119.42 2jtd n LYS 32 Ca 0.09 -0.16 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 2jtd n LYS 32 Cb 0.04 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.06 2jtd n LYS 32 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2jtd n GLY 33 N 1.13 1.59 2.82 0.72 0.00 -0.88 -5.08 105.19 105.49 2jtd n GLY 33 Ca 0.20 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2jtd n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jtd s GLN 34 N -0.81 1.05 -0.22 1.61 -1.52 -1.07 -3.76 119.66 114.94 2jtd s GLN 34 Ca 0.00 -0.68 -0.11 0.00 -1.95 0.00 0.00 55.36 52.63 2jtd s GLN 34 Cb 0.00 -2.31 -0.05 0.00 -0.22 0.00 0.00 33.01 30.43 2jtd s GLN 34 CO 0.00 -0.63 0.17 0.54 -0.25 0.00 0.00 175.29 175.12 2jtd s VAL 35 N 1.66 5.36 -0.41 1.09 0.11 -0.85 -2.77 120.40 124.59 2jtd s VAL 35 Ca -0.03 0.23 -0.17 0.00 -2.93 0.00 0.00 61.98 59.09 2jtd s VAL 35 Cb -0.18 -3.51 0.02 0.00 -1.53 0.00 0.00 36.38 31.18 2jtd s VAL 35 CO -0.08 0.37 0.41 -0.13 -3.33 0.00 0.00 175.10 172.34 2jtd s ARG 36 N 0.86 3.14 -0.24 1.54 0.52 -0.08 -2.77 118.95 121.93 2jtd s ARG 36 Ca 0.09 -0.75 -0.10 0.00 -0.52 0.00 0.00 55.73 54.45 2jtd s ARG 36 Cb -0.13 -3.95 -0.05 0.00 0.52 0.00 0.00 34.95 31.35 2jtd s ARG 36 CO 0.03 -0.79 0.15 0.12 0.02 0.00 0.00 175.30 174.83 2jtd s PHE 37 N 2.06 3.29 -0.09 -0.53 5.36 -0.33 0.17 117.98 127.91 2jtd s PHE 37 Ca 0.11 0.16 -0.11 0.00 -0.96 0.00 0.00 56.93 56.14 2jtd s PHE 37 Cb -0.17 -2.27 0.03 0.00 -0.34 0.00 0.00 43.02 40.27 2jtd s PHE 37 CO 0.13 0.02 0.29 1.67 -1.46 0.00 0.00 175.22 175.86 2jtd s TRP 38 N 1.13 -0.28 -0.08 10.12 1.48 -1.03 0.83 118.94 131.11 2jtd s TRP 38 Ca 0.07 0.67 -0.06 0.00 -1.06 0.00 0.00 56.10 55.72 2jtd s TRP 38 Cb -0.14 0.10 0.03 0.00 -1.16 0.00 0.00 33.47 32.30 2jtd s TRP 38 CO 0.05 -0.19 0.20 0.00 -4.06 0.00 0.00 176.95 172.95 2jtd s MET 39 N -0.11 0.20 0.13 3.25 0.23 -0.57 -1.94 119.30 120.48 2jtd s MET 39 Ca -0.02 0.36 -0.01 0.00 -1.03 0.00 0.00 55.69 54.99 2jtd s MET 39 Cb -0.03 0.00 -0.04 0.00 -1.53 0.00 0.00 34.83 33.23 2jtd s MET 39 CO 0.01 -0.09 0.30 -1.14 -2.03 0.00 0.00 175.02 172.08 2jtd s GLN 40 N 0.58 3.49 0.04 3.16 0.74 -1.19 -1.77 119.66 124.72 2jtd s GLN 40 Ca -0.04 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 54.99 2jtd s GLN 40 Cb -0.05 -2.94 -0.03 0.00 1.10 0.00 0.00 33.01 31.09 2jtd s GLN 40 CO -0.03 0.51 -0.04 0.00 -0.55 0.00 0.00 175.29 175.17 2jtd s ALA 41 N -1.68 0.44 0.13 1.58 0.00 0.15 -3.21 121.76 119.16 2jtd s ALA 41 Ca 0.37 -0.90 0.22 0.00 0.00 0.00 0.00 51.96 51.66 2jtd s ALA 41 Cb -0.12 0.16 0.83 0.00 0.00 0.00 0.00 23.12 23.99 2jtd s ALA 41 CO 0.28 -0.20 1.79 1.05 0.00 0.00 0.00 175.76 178.68 2jtd h GLU 42 N 3.99 0.00 -5.88 0.00 4.11 -1.83 -3.36 114.58 111.60 2jtd h GLU 42 Ca -0.34 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.58 2jtd h GLU 42 Cb 1.18 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.24 2jtd h GLU 42 CO 0.51 0.27 -0.79 0.15 0.07 0.00 0.00 179.01 179.22 2jtd s LYS 43 N -3.62 1.15 0.00 1.06 -0.14 -1.26 -4.81 119.74 112.11 2jtd s LYS 43 Ca 0.01 -1.26 0.12 0.00 -1.36 0.00 0.00 55.97 53.47 2jtd s LYS 43 Cb 0.10 -1.24 0.00 0.00 -1.68 0.00 0.00 37.83 35.02 2jtd s LYS 43 CO 0.65 0.26 0.70 1.47 -0.76 0.00 0.00 175.35 177.68 2jtd n LEU 44 N 0.67 1.35 -4.79 3.17 -0.00 -1.26 -4.20 117.00 111.95 2jtd n LEU 44 Ca -0.16 -0.78 -0.30 0.00 -0.00 0.00 0.00 56.01 54.76 2jtd n LEU 44 Cb 0.56 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 44.06 2jtd n LEU 44 CO 0.26 0.27 0.70 -0.55 -0.00 0.00 0.00 177.39 178.07 2jtd s SER 45 N -1.46 4.60 0.00 1.45 0.15 -1.26 -4.87 113.70 112.31 2jtd s SER 45 Ca 0.10 1.55 0.02 0.00 0.70 0.00 0.00 55.95 58.32 2jtd s SER 45 Cb 0.09 -2.31 0.14 0.00 -1.71 0.00 0.00 66.02 62.23 2jtd s SER 45 CO 0.28 -1.93 0.44 -1.20 1.20 0.00 0.00 173.24 172.03 2jtd n SER 46 N -3.43 0.00 -0.12 5.45 7.64 -1.26 -2.44 113.62 119.45 2jtd n SER 46 Ca 0.08 -0.26 -0.10 0.00 1.01 0.00 0.00 58.87 59.60 2jtd n SER 46 Cb 0.54 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.73 2jtd n SER 46 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2jtd h ASN 47 N 0.00 0.55 -2.44 6.43 -1.24 -1.95 -3.39 115.58 113.55 2jtd h ASN 47 Ca 0.00 -0.24 -0.64 0.00 0.71 0.00 0.00 56.30 56.13 2jtd h ASN 47 Cb 0.00 -0.15 -0.15 0.00 0.73 0.00 0.00 38.32 38.76 2jtd h ASN 47 CO 0.00 0.65 0.73 0.00 -1.29 0.00 0.00 177.43 177.52 2jtd s ALA 48 N -5.26 3.13 -0.26 1.57 0.00 -1.02 -4.86 121.76 115.06 2jtd s ALA 48 Ca -0.13 -2.11 -0.06 0.00 0.00 0.00 0.00 51.96 49.65 2jtd s ALA 48 Cb 0.09 -3.99 -0.01 0.00 0.00 0.00 0.00 23.12 19.21 2jtd s ALA 48 CO 0.76 -2.93 0.05 0.15 0.00 0.00 0.00 175.76 173.79 2jtd s LYS 49 N 3.84 3.39 -0.31 0.00 1.02 -1.26 -4.96 119.74 121.47 2jtd s LYS 49 Ca 0.28 -0.64 -0.13 0.00 0.02 0.00 0.00 55.97 55.50 2jtd s LYS 49 Cb -0.12 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 2jtd s LYS 49 CO 0.03 -0.28 0.25 0.54 -0.92 0.00 0.00 175.35 174.97 2jtd s VAL 50 N 1.54 5.27 -0.47 3.17 0.11 -1.26 -3.12 120.40 125.64 2jtd s VAL 50 Ca 0.05 0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.88 2jtd s VAL 50 Cb -0.16 -3.65 0.01 0.00 -1.53 0.00 0.00 36.38 31.06 2jtd s VAL 50 CO 0.02 0.11 1.36 -0.44 -3.33 0.00 0.00 175.10 172.81 2jtd s SER 51 N 1.73 6.33 -0.96 3.54 0.01 -0.65 -4.93 113.70 118.77 2jtd s SER 51 Ca 0.08 0.59 -0.24 0.00 1.31 0.00 0.00 55.95 57.69 2jtd s SER 51 Cb -0.17 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.52 2jtd s SER 51 CO 0.11 -1.48 1.73 -0.31 0.41 0.00 0.00 173.24 173.69 2jtd s TYR 52 N 5.44 2.13 -0.16 2.43 2.02 -1.26 -3.66 117.35 124.28 2jtd s TYR 52 Ca 0.56 -0.02 -0.04 0.00 -0.37 0.00 0.00 57.07 57.20 2jtd s TYR 52 Cb -0.11 -4.33 -0.03 0.00 -0.40 0.00 0.00 41.96 37.08 2jtd s TYR 52 CO 0.30 -1.83 -0.03 0.42 -1.57 0.00 0.00 175.55 172.84 2jtd s ILE 53 N 7.83 3.93 -0.17 2.71 -1.09 -0.67 -2.37 121.20 131.38 2jtd s ILE 53 Ca 0.59 -0.34 -0.00 0.00 -2.23 0.00 0.00 60.65 58.67 2jtd s ILE 53 Cb -0.04 -2.73 0.04 0.00 -1.58 0.00 0.00 42.46 38.15 2jtd s ILE 53 CO -0.05 0.49 -0.06 0.12 -1.23 0.00 0.00 174.94 174.21 2jtd s PHE 54 N 0.42 1.84 -1.53 3.97 5.36 0.17 -0.12 117.98 128.09 2jtd s PHE 54 Ca -0.03 -1.19 -0.05 0.00 -0.96 0.00 0.00 56.93 54.69 2jtd s PHE 54 Cb -0.14 -1.38 0.01 0.00 -0.34 0.00 0.00 43.02 41.17 2jtd s PHE 54 CO 0.03 -0.64 0.64 -1.71 -1.46 0.00 0.00 175.22 172.07 2jtd n ASN 55 N 4.84 -5.95 -0.11 6.13 4.05 0.13 -0.78 115.26 123.57 2jtd n ASN 55 Ca -0.12 -0.31 -0.01 0.00 0.45 0.00 0.00 54.58 54.58 2jtd n ASN 55 Cb 0.47 -4.80 -0.01 0.00 1.23 0.00 0.00 39.78 36.67 2jtd n ASN 55 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2jtd n GLU 56 N -4.08 -0.76 -4.39 1.20 1.02 -1.26 -5.01 120.64 107.36 2jtd n GLU 56 Ca -0.10 0.30 -0.31 0.00 -0.02 0.00 0.00 57.16 57.04 2jtd n GLU 56 Cb 0.61 -3.94 -0.11 0.00 -0.02 0.00 0.00 31.44 27.98 2jtd n GLU 56 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2jtd s LYS 57 N -1.12 2.27 0.25 3.49 -0.14 0.04 -5.09 119.74 119.43 2jtd s LYS 57 Ca 0.00 -0.91 -0.30 0.00 -1.36 0.00 0.00 55.97 53.40 2jtd s LYS 57 Cb 0.00 -2.35 -0.09 0.00 -1.68 0.00 0.00 37.83 33.71 2jtd s LYS 57 CO 0.00 0.55 0.94 -1.21 -0.76 0.00 0.00 175.35 174.87 2jtd s GLU 58 N -1.79 4.84 0.33 1.68 2.02 -1.26 0.43 118.70 124.94 2jtd s GLU 58 Ca 0.19 1.48 0.08 0.00 0.02 0.00 0.00 54.97 56.74 2jtd s GLU 58 Cb -0.11 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 2jtd s GLU 58 CO 0.10 0.50 0.20 0.96 0.02 0.00 0.00 175.26 177.04 2jtd s ILE 59 N -1.21 3.31 0.24 -1.63 -4.36 -1.00 -4.89 121.20 111.66 2jtd s ILE 59 Ca 0.42 -1.56 0.09 0.00 -0.26 0.00 0.00 60.65 59.34 2jtd s ILE 59 Cb -0.26 -3.07 -0.05 0.00 1.25 0.00 0.00 42.46 40.33 2jtd s ILE 59 CO 0.31 -0.20 -0.16 0.72 0.24 0.00 0.00 174.94 175.86 2jtd s PHE 60 N -2.36 1.93 -0.30 1.37 -0.71 -1.26 -4.98 117.98 111.66 2jtd s PHE 60 Ca 0.38 -0.50 -0.29 0.00 -1.04 0.00 0.00 56.93 55.49 2jtd s PHE 60 Cb -0.04 -0.88 -0.00 0.00 -1.21 0.00 0.00 43.02 40.88 2jtd s PHE 60 CO 0.24 0.48 1.35 -2.00 -1.34 0.00 0.00 175.22 173.95 2jtd s GLU 61 N -3.60 3.87 0.00 1.99 2.12 -1.26 -4.83 118.70 116.98 2jtd s GLU 61 Ca 0.25 1.26 0.00 0.00 0.36 0.00 0.00 54.97 56.85 2jtd s GLU 61 Cb -0.02 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.46 2jtd s GLU 61 CO 0.10 -1.19 0.00 0.41 -0.54 0.00 0.00 175.26 174.04 2jtd n GLY 62 N 4.43 6.66 0.26 -1.50 0.00 -1.14 -4.97 105.19 108.94 2jtd n GLY 62 Ca 0.15 -1.78 0.15 0.00 0.00 0.00 0.00 46.02 44.54 2jtd n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jtd h PRO 63 N 0.00 0.00 0.00 1.61 0.13 -2.04 -3.06 132.00 128.64 2jtd h PRO 63 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 2jtd h PRO 63 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2jtd h PRO 63 CO 0.00 0.09 -1.91 1.17 -0.23 0.00 0.00 178.00 177.12 2jtd n LYS 64 N -3.26 0.65 -4.73 0.86 0.00 -1.26 -4.93 118.16 105.49 2jtd n LYS 64 Ca -0.00 0.15 -0.33 0.00 0.00 0.00 0.00 58.31 58.13 2jtd n LYS 64 Cb 0.33 -1.68 -0.13 0.00 0.00 0.00 0.00 35.03 33.54 2jtd n LYS 64 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2jtd s TYR 65 N -2.67 2.83 -0.16 5.64 1.51 -1.16 -4.16 117.35 119.18 2jtd s TYR 65 Ca -0.06 -0.42 -0.04 0.00 -1.01 0.00 0.00 57.07 55.53 2jtd s TYR 65 Cb 0.08 -1.80 0.08 0.00 -0.11 0.00 0.00 41.96 40.20 2jtd s TYR 65 CO 0.83 -0.05 0.23 0.21 -1.11 0.00 0.00 175.55 175.67 2jtd s LYS 66 N 0.00 0.16 0.02 -0.62 2.47 -1.24 -2.90 119.74 117.63 2jtd s LYS 66 Ca -0.03 0.48 0.06 0.00 -1.56 0.00 0.00 55.97 54.92 2jtd s LYS 66 Cb -0.14 -0.58 -0.02 0.00 -1.46 0.00 0.00 37.83 35.63 2jtd s LYS 66 CO 0.04 -0.46 -0.19 0.00 0.16 0.00 0.00 175.35 174.90 2jtd s MET 67 N 2.37 1.37 -0.17 4.03 0.23 -1.26 -0.63 119.30 125.24 2jtd s MET 67 Ca 0.04 -0.78 -0.08 0.00 -1.03 0.00 0.00 55.69 53.84 2jtd s MET 67 Cb -0.14 -1.40 -0.04 0.00 -1.53 0.00 0.00 34.83 31.72 2jtd s MET 67 CO -0.10 0.37 0.11 -1.01 -2.03 0.00 0.00 175.02 172.36 2jtd s HIS 68 N -0.63 3.39 -0.35 3.16 0.09 -0.06 -4.98 115.29 115.91 2jtd s HIS 68 Ca 0.06 0.29 -0.00 0.00 -0.00 0.00 0.00 55.06 55.42 2jtd s HIS 68 Cb -0.08 -2.07 0.13 0.00 -0.00 0.00 0.00 32.58 30.56 2jtd s HIS 68 CO 0.01 0.36 0.19 -1.50 -0.00 0.00 0.00 174.74 173.79 2jtd s ILE 69 N 0.01 0.49 -0.09 0.60 2.07 -1.26 -3.80 121.20 119.21 2jtd s ILE 69 Ca 0.08 -1.68 0.01 0.00 -1.41 0.00 0.00 60.65 57.65 2jtd s ILE 69 Cb -0.12 -1.37 0.02 0.00 0.13 0.00 0.00 42.46 41.13 2jtd s ILE 69 CO 0.00 -0.88 -0.11 -0.62 -1.91 0.00 0.00 174.94 171.43 2jtd s ASP 70 N 1.18 2.04 -1.39 4.50 2.15 -1.26 -5.05 116.67 118.83 2jtd s ASP 70 Ca 0.15 -0.32 -0.15 0.00 0.43 0.00 0.00 52.55 52.66 2jtd s ASP 70 Cb -0.21 -0.87 0.04 0.00 -0.30 0.00 0.00 42.92 41.57 2jtd s ASP 70 CO -0.10 -0.04 2.10 0.54 -0.17 0.00 0.00 175.17 177.51 2jtd n ARG 71 N 4.36 2.85 -0.10 4.34 3.00 -1.26 -4.22 116.66 125.63 2jtd n ARG 71 Ca -0.18 -2.71 -0.14 0.00 -0.01 0.00 0.00 57.85 54.80 2jtd n ARG 71 Cb 0.51 -3.33 -0.05 0.00 0.00 0.00 0.00 32.46 29.59 2jtd n ARG 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2jtd n ASN 72 N 6.78 1.92 -3.90 0.55 5.03 -1.26 -5.06 115.26 119.32 2jtd n ASN 72 Ca 0.51 0.39 -0.19 0.00 0.87 0.00 0.00 54.58 56.16 2jtd n ASN 72 Cb 0.41 -0.80 -0.09 0.00 -1.02 0.00 0.00 39.78 38.28 2jtd n ASN 72 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2jtd s THR 73 N -2.67 0.27 -1.17 3.41 -4.23 -1.26 -5.03 115.64 104.95 2jtd s THR 73 Ca -0.29 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.03 2jtd s THR 73 Cb 0.07 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 2jtd s THR 73 CO 0.42 0.00 1.96 0.61 -0.54 0.00 0.00 174.62 177.07 2jtd n GLY 74 N -0.59 2.70 2.85 3.99 0.00 -1.26 -4.76 105.19 108.12 2jtd n GLY 74 Ca 0.02 -1.27 -0.21 0.00 0.00 0.00 0.00 46.02 44.56 2jtd n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtd s ILE 75 N 5.71 0.46 -0.12 -0.61 -1.09 -1.26 0.31 121.20 124.59 2jtd s ILE 75 Ca 0.56 -0.02 -0.03 0.00 -2.23 0.00 0.00 60.65 58.93 2jtd s ILE 75 Cb 0.08 -0.53 0.05 0.00 -1.58 0.00 0.00 42.46 40.48 2jtd s ILE 75 CO 0.06 0.23 0.05 -0.63 -1.23 0.00 0.00 174.94 173.42 2jtd s ILE 76 N 1.28 0.13 0.14 2.92 1.01 -0.73 -4.56 121.20 121.40 2jtd s ILE 76 Ca -0.05 -0.04 0.09 0.00 0.00 0.00 0.00 60.65 60.64 2jtd s ILE 76 Cb -0.14 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 2jtd s ILE 76 CO -0.02 -0.04 -0.20 -1.83 0.00 0.00 0.00 174.94 172.84 2jtd s GLU 77 N 2.05 1.24 -0.08 2.79 4.04 -1.25 -1.52 118.70 125.97 2jtd s GLU 77 Ca 0.03 -1.31 0.01 0.00 0.04 0.00 0.00 54.97 53.74 2jtd s GLU 77 Cb -0.14 -1.43 0.02 0.00 0.02 0.00 0.00 34.13 32.59 2jtd s GLU 77 CO -0.07 0.31 -0.10 1.41 -1.84 0.00 0.00 175.26 174.98 2jtd s MET 78 N -2.35 1.61 -0.22 -4.83 1.75 0.24 -0.88 119.30 114.63 2jtd s MET 78 Ca 0.12 -0.35 -0.04 0.00 -1.25 0.00 0.00 55.69 54.17 2jtd s MET 78 Cb -0.08 -1.44 -0.01 0.00 2.84 0.00 0.00 34.83 36.13 2jtd s MET 78 CO 0.06 -0.08 -0.03 0.12 -0.65 0.00 0.00 175.02 174.45 2jtd s PHE 79 N 1.02 2.98 0.09 4.11 5.36 0.20 -1.18 117.98 130.56 2jtd s PHE 79 Ca -0.08 -0.78 0.03 0.00 -0.96 0.00 0.00 56.93 55.15 2jtd s PHE 79 Cb -0.15 -2.10 -0.04 0.00 -0.34 0.00 0.00 43.02 40.39 2jtd s PHE 79 CO -0.00 -0.45 -0.09 -1.64 -1.46 0.00 0.00 175.22 171.57 2jtd s MET 80 N 1.35 0.82 0.00 10.12 -1.94 -1.11 -3.60 119.30 124.93 2jtd s MET 80 Ca 0.04 -1.17 0.00 0.00 -1.71 0.00 0.00 55.69 52.85 2jtd s MET 80 Cb -0.14 -0.43 0.00 0.00 2.01 0.00 0.00 34.83 36.27 2jtd s MET 80 CO -0.01 0.05 0.00 -0.85 -0.01 0.00 0.00 175.02 174.20 2jtd n GLU 81 N 0.47 1.71 -3.88 2.03 0.28 -1.26 -2.01 120.64 117.99 2jtd n GLU 81 Ca -0.16 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.51 2jtd n GLU 81 Cb 0.58 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.40 2jtd n GLU 81 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2jtd s LYS 82 N -1.36 3.47 0.00 3.44 0.00 -1.25 -4.88 119.74 119.16 2jtd s LYS 82 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 55.97 55.69 2jtd s LYS 82 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 37.83 34.74 2jtd s LYS 82 CO 0.00 0.67 0.00 -0.11 0.00 0.00 0.00 175.35 175.91 2jtd n LEU 83 N 0.95 0.00 -3.60 2.77 -0.00 -1.26 -5.12 117.00 110.74 2jtd n LEU 83 Ca -0.11 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.80 2jtd n LEU 83 Cb 0.53 -0.16 -0.03 0.00 -0.00 0.00 0.00 43.42 43.76 2jtd n LEU 83 CO 0.44 -0.29 0.31 -1.10 -0.00 0.00 0.00 177.39 176.75 2jtd s GLN 84 N -0.57 1.30 0.65 1.96 -0.21 -1.26 -5.01 119.66 116.52 2jtd s GLN 84 Ca 0.00 -0.68 0.41 0.00 0.02 0.00 0.00 55.36 55.11 2jtd s GLN 84 Cb 0.00 0.54 2.26 0.00 1.00 0.00 0.00 33.01 36.82 2jtd s GLN 84 CO 0.00 -0.55 2.32 -0.44 -2.12 0.00 0.00 175.29 174.50 2jtd h ASP 85 N 2.14 0.00 0.34 5.90 5.19 -1.94 0.14 116.42 128.19 2jtd h ASP 85 Ca -0.31 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.86 2jtd h ASP 85 Cb 1.28 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.80 2jtd h ASP 85 CO 0.39 0.00 -1.02 1.05 -3.12 0.00 0.00 179.24 176.54 2jtd h GLU 86 N 0.00 0.43 0.13 3.56 4.11 -1.95 -3.32 114.58 117.53 2jtd h GLU 86 Ca 0.00 -0.50 -0.30 0.00 0.07 0.00 0.00 59.36 58.64 2jtd h GLU 86 Cb 0.05 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2jtd h GLU 86 CO -0.00 1.16 -1.42 0.22 0.07 0.00 0.00 179.01 179.04 2jtd h ASP 87 N 0.22 0.43 -4.18 3.06 3.58 -1.31 -3.44 116.42 114.78 2jtd h ASP 87 Ca -0.10 -0.53 -0.52 0.00 0.42 0.00 0.00 57.03 56.31 2jtd h ASP 87 Cb 1.67 -0.14 0.12 0.00 1.72 0.00 0.00 39.33 42.70 2jtd h ASP 87 CO 0.18 1.43 0.39 -1.61 -2.88 0.00 0.00 179.24 176.74 2jtd s GLU 88 N -2.63 2.57 0.00 0.28 8.01 0.27 -4.97 118.70 122.23 2jtd s GLU 88 Ca -0.07 1.57 0.00 0.00 0.01 0.00 0.00 54.97 56.48 2jtd s GLU 88 Cb 0.07 -1.91 0.00 0.00 -4.31 0.00 0.00 34.13 27.98 2jtd s GLU 88 CO 0.87 -1.46 0.00 0.41 0.01 0.00 0.00 175.26 175.09 2jtd n GLY 89 N -0.06 -0.82 3.52 -1.39 0.00 -0.82 -4.85 105.19 100.77 2jtd n GLY 89 Ca 0.12 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2jtd n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jtd s THR 90 N -4.00 3.97 0.01 2.61 2.01 -1.26 -0.97 115.64 118.00 2jtd s THR 90 Ca 0.00 0.23 -0.22 0.00 0.31 0.00 0.00 61.69 62.01 2jtd s THR 90 Cb 0.00 -4.81 -0.05 0.00 0.01 0.00 0.00 72.50 67.65 2jtd s THR 90 CO 0.00 -1.64 0.65 -0.31 -0.69 0.00 0.00 174.62 172.62 2jtd s TYR 91 N 5.06 3.69 -0.03 4.92 1.51 0.41 0.19 117.35 133.10 2jtd s TYR 91 Ca 0.32 1.27 0.00 0.00 -1.01 0.00 0.00 57.07 57.65 2jtd s TYR 91 Cb -0.11 -2.68 0.03 0.00 -0.11 0.00 0.00 41.96 39.09 2jtd s TYR 91 CO 0.15 0.31 0.01 0.99 -1.11 0.00 0.00 175.55 175.91 2jtd s THR 92 N -0.10 0.09 -0.06 -0.71 2.01 0.83 0.18 115.64 117.89 2jtd s THR 92 Ca 0.33 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.50 2jtd s THR 92 Cb -0.19 -0.21 0.02 0.00 0.01 0.00 0.00 72.50 72.13 2jtd s THR 92 CO 0.19 0.13 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.80 2jtd s PHE 93 N 1.15 1.22 -0.17 4.92 0.08 0.12 -1.66 117.98 123.64 2jtd s PHE 93 Ca -0.08 -0.44 0.01 0.00 0.12 0.00 0.00 56.93 56.54 2jtd s PHE 93 Cb -0.13 -0.95 0.02 0.00 -0.57 0.00 0.00 43.02 41.39 2jtd s PHE 93 CO -0.02 -0.27 -0.19 -0.65 -0.10 0.00 0.00 175.22 173.99 2jtd s GLN 94 N 0.84 2.85 -0.19 0.44 -0.21 -1.24 -1.08 119.66 121.07 2jtd s GLN 94 Ca -0.12 -0.78 -0.04 0.00 0.02 0.00 0.00 55.36 54.44 2jtd s GLN 94 Cb -0.15 -2.45 -0.02 0.00 1.00 0.00 0.00 33.01 31.39 2jtd s GLN 94 CO 0.02 -0.18 -0.03 0.42 -2.12 0.00 0.00 175.29 173.39 2jtd s ILE 95 N 1.24 3.70 -0.63 1.08 1.01 -0.08 -1.63 121.20 125.89 2jtd s ILE 95 Ca 0.03 -0.40 -0.22 0.00 0.00 0.00 0.00 60.65 60.05 2jtd s ILE 95 Cb -0.13 -2.65 0.07 0.00 0.01 0.00 0.00 42.46 39.75 2jtd s ILE 95 CO -0.11 0.45 0.92 -1.58 0.00 0.00 0.00 174.94 174.63 2jtd s GLN 96 N 0.92 3.14 -0.07 2.79 0.74 -1.18 -1.26 119.66 124.74 2jtd s GLN 96 Ca -0.00 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 54.62 2jtd s GLN 96 Cb -0.15 -4.20 0.02 0.00 1.10 0.00 0.00 33.01 29.79 2jtd s GLN 96 CO 0.01 -1.72 -0.05 0.34 -0.55 0.00 0.00 175.29 173.32 2jtd s ASP 97 N 3.51 1.44 1.74 6.67 2.15 -0.82 -4.05 116.67 127.30 2jtd s ASP 97 Ca 0.22 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.02 2jtd s ASP 97 Cb -0.17 -0.58 0.00 0.00 -0.30 0.00 0.00 42.92 41.87 2jtd s ASP 97 CO 0.11 -0.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 2jtd n GLY 98 N 4.40 1.37 0.41 2.66 0.00 -1.26 -1.22 105.19 111.55 2jtd n GLY 98 Ca -0.19 0.25 0.04 0.00 0.00 0.00 0.00 46.02 46.12 2jtd n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jtd n LYS 99 N 0.00 0.49 -4.39 1.61 5.02 -1.26 -5.08 118.16 114.55 2jtd n LYS 99 Ca 0.00 -1.68 -0.20 0.00 -2.02 0.00 0.00 58.31 54.41 2jtd n LYS 99 Cb 0.00 -0.85 -0.10 0.00 -0.02 0.00 0.00 35.03 34.05 2jtd n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jtd s ALA 100 N -1.10 2.22 -0.23 7.82 0.00 -0.36 -5.13 121.76 124.98 2jtd s ALA 100 Ca 0.14 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.32 2jtd s ALA 100 Cb 0.13 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.32 2jtd s ALA 100 CO -0.00 0.01 -0.12 0.99 0.00 0.00 0.00 175.76 176.64 2jtd s THR 101 N -2.96 2.38 -0.37 0.00 2.01 -1.26 -1.94 115.64 113.50 2jtd s THR 101 Ca 0.26 -1.23 -0.26 0.00 0.31 0.00 0.00 61.69 60.78 2jtd s THR 101 Cb 0.01 -2.22 0.02 0.00 0.01 0.00 0.00 72.50 70.32 2jtd s THR 101 CO 0.10 0.21 0.94 -0.83 -0.69 0.00 0.00 174.62 174.35 2jtd s GLY 102 N 1.23 1.56 -0.13 4.40 0.00 -0.39 -4.87 107.32 109.12 2jtd s GLY 102 Ca -0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 44.72 44.23 2jtd s GLY 102 CO -0.07 2.04 -0.03 -2.38 0.00 0.00 0.00 173.10 172.65 2jtd s HIS 103 N 3.52 3.05 -0.03 1.90 -3.43 -1.26 -0.90 115.29 118.13 2jtd s HIS 103 Ca 0.39 -0.14 -0.00 0.00 -0.80 0.00 0.00 55.06 54.50 2jtd s HIS 103 Cb -0.12 -1.90 0.03 0.00 -1.43 0.00 0.00 32.58 29.16 2jtd s HIS 103 CO 0.19 0.12 0.01 0.45 -2.00 0.00 0.00 174.74 173.51 2jtd s SER 104 N -0.04 0.61 -0.21 7.38 0.15 -0.24 -5.00 113.70 116.35 2jtd s SER 104 Ca 0.02 -0.01 -0.00 0.00 0.70 0.00 0.00 55.95 56.66 2jtd s SER 104 Cb -0.13 -0.22 0.02 0.00 -1.71 0.00 0.00 66.02 63.98 2jtd s SER 104 CO 0.02 -0.13 -0.14 -0.89 1.20 0.00 0.00 173.24 173.30 2jtd s THR 105 N 1.29 2.46 -0.26 6.45 2.01 -1.26 -0.70 115.64 125.62 2jtd s THR 105 Ca -0.06 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 60.99 2jtd s THR 105 Cb -0.13 -2.14 0.07 0.00 0.01 0.00 0.00 72.50 70.32 2jtd s THR 105 CO -0.02 0.39 0.01 -0.22 -0.69 0.00 0.00 174.62 174.09 2jtd s LEU 106 N 1.31 2.55 -0.40 4.42 1.98 0.13 -4.99 118.68 123.68 2jtd s LEU 106 Ca 0.03 -1.36 -0.18 0.00 -2.89 0.00 0.00 54.13 49.73 2jtd s LEU 106 Cb -0.15 -1.07 0.01 0.00 0.66 0.00 0.00 46.19 45.65 2jtd s LEU 106 CO -0.09 -0.31 0.50 0.54 -1.89 0.00 0.00 176.35 175.10 2jtd s VAL 107 N 1.46 5.01 -0.44 1.68 0.11 -1.26 -0.44 120.40 126.52 2jtd s VAL 107 Ca 0.01 -0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.95 2jtd s VAL 107 Cb -0.18 -4.04 0.09 0.00 -1.53 0.00 0.00 36.38 30.72 2jtd s VAL 107 CO -0.11 -0.38 0.28 -0.76 -3.33 0.00 0.00 175.10 170.80 2jtd s LEU 108 N 2.36 5.34 -0.17 2.54 1.43 -0.15 -4.50 118.68 125.53 2jtd s LEU 108 Ca 0.16 -1.66 -0.08 0.00 -1.03 0.00 0.00 54.13 51.51 2jtd s LEU 108 Cb -0.16 -1.99 0.06 0.00 0.03 0.00 0.00 46.19 44.14 2jtd s LEU 108 CO 0.15 -0.59 0.40 -0.63 0.23 0.00 0.00 176.35 175.90 2jtd s ILE 109 N 1.39 -0.15 0.00 -0.59 1.01 -1.26 -1.95 121.20 119.65 2jtd s ILE 109 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2jtd s ILE 109 Cb -0.24 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.63 2jtd s ILE 109 CO 0.01 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.61 2jtd n GLY 110 N 4.50 2.97 0.26 6.18 0.00 -1.26 -0.41 105.19 117.43 2jtd n GLY 110 Ca -0.20 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.09 2jtd n GLY 110 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jtd h ASP 111 N 0.00 0.00 -0.25 1.61 5.19 -1.99 -2.49 116.42 118.49 2jtd h ASP 111 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 2jtd h ASP 111 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2jtd h ASP 111 CO 0.00 0.11 0.04 0.58 -3.12 0.00 0.00 179.24 176.85 2jtd h VAL 112 N 0.00 1.23 0.00 -1.35 2.07 -1.09 -2.09 116.25 115.02 2jtd h VAL 112 Ca -0.00 -0.76 -0.13 0.00 0.82 0.00 0.00 66.70 66.63 2jtd h VAL 112 Cb 0.23 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2jtd h VAL 112 CO 0.01 0.24 -0.60 0.10 0.02 0.00 0.00 177.57 177.35 2jtd h TYR 113 N 0.22 0.00 -0.07 1.57 -0.00 -1.40 -3.26 116.97 114.02 2jtd h TYR 113 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 58.63 2jtd h TYR 113 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.05 2jtd h TYR 113 CO 0.02 0.60 -0.73 1.57 -0.00 0.00 0.00 178.16 179.62 2jtd h LYS 114 N 0.00 0.37 -0.29 0.10 5.09 -1.31 -2.91 116.57 117.62 2jtd h LYS 114 Ca -0.01 -0.30 -0.14 0.00 0.09 0.00 0.00 60.65 60.29 2jtd h LYS 114 Cb 1.34 0.06 -0.01 0.00 0.10 0.00 0.00 32.23 33.73 2jtd h LYS 114 CO 0.08 0.95 -0.38 1.57 -2.09 0.00 0.00 179.45 179.58 2jtd h LYS 115 N 0.25 0.67 -0.21 0.07 2.10 -1.45 -2.66 116.57 115.34 2jtd h LYS 115 Ca -0.03 -0.33 -0.03 0.00 -2.00 0.00 0.00 60.65 58.26 2jtd h LYS 115 Cb 1.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 2jtd h LYS 115 CO 0.12 0.94 -0.02 -0.07 -2.00 0.00 0.00 179.45 178.42 2jtd h LEU 116 N 0.55 0.28 -0.41 7.07 3.38 -1.58 0.18 115.31 124.79 2jtd h LEU 116 Ca 0.05 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2jtd h LEU 116 Cb 0.90 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2jtd h LEU 116 CO 0.08 0.35 0.07 1.56 0.09 0.00 0.00 178.44 180.60 2jtd h GLN 117 N 0.30 0.67 0.00 1.13 1.08 -1.28 -2.74 115.11 114.28 2jtd h GLN 117 Ca 0.07 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 57.06 2jtd h GLN 117 Cb 0.24 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 2jtd h GLN 117 CO 0.01 0.71 -0.93 -0.22 -0.95 0.00 0.00 178.83 177.45 2jtd h LYS 118 N 0.53 0.00 0.00 1.46 1.63 -1.15 -2.73 116.57 116.32 2jtd h LYS 118 Ca 0.13 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 2jtd h LYS 118 Cb 0.36 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2jtd h LYS 118 CO 0.01 0.08 -0.05 0.93 -3.45 0.00 0.00 179.45 176.97 2jtd h GLU 119 N 0.00 0.00 0.00 1.90 5.08 -0.71 -3.34 114.58 117.51 2jtd h GLU 119 Ca -0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2jtd h GLU 119 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2jtd h GLU 119 CO 0.01 0.05 -0.30 0.00 -1.00 0.00 0.00 179.01 177.76 2jtd h ALA 120 N 1.95 0.05 -3.39 3.43 0.00 -1.43 -3.48 119.26 116.39 2jtd h ALA 120 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2jtd h ALA 120 Cb 0.98 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2jtd h ALA 120 CO 0.01 0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.84 2jtd n GLU 121 N -4.61 2.52 0.00 0.00 1.02 -1.03 -5.08 120.64 113.45 2jtd n GLU 121 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2jtd n GLU 121 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 2jtd n GLU 121 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28