#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 3.55 -0.47 3.49 2.02 -1.26 -5.00 118.70 121.03 2jtd s GLU 2 Ca 0.00 -1.80 -0.25 0.00 0.02 0.00 0.00 54.97 52.94 2jtd s GLU 2 Cb 0.00 -4.79 0.03 0.00 0.10 0.00 0.00 34.13 29.47 2jtd s GLU 2 CO 0.00 -1.70 0.93 -2.00 0.02 0.00 0.00 175.26 172.51 2jtd s GLU 3 N 2.39 3.50 0.29 1.61 -6.30 -1.26 -4.91 118.70 114.02 2jtd s GLU 3 Ca 0.29 0.09 -0.00 0.00 -2.50 0.00 0.00 54.97 52.86 2jtd s GLU 3 Cb -0.07 -3.95 0.43 0.00 0.00 0.00 0.00 34.13 30.55 2jtd s GLU 3 CO -0.08 -1.26 1.82 0.52 0.02 0.00 0.00 175.26 176.28 2jtd h MET 4 N 9.12 0.75 0.00 4.30 2.86 -2.01 -2.30 114.93 127.64 2jtd h MET 4 Ca -0.24 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.16 2jtd h MET 4 Cb 1.08 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 2jtd h MET 4 CO 1.03 0.71 -0.34 0.87 1.06 0.00 0.00 176.91 180.25 2jtd h LYS 5 N 0.72 0.00 -0.19 1.72 6.56 -2.02 -2.35 116.57 121.01 2jtd h LYS 5 Ca 0.15 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.63 2jtd h LYS 5 Cb 0.33 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 2jtd h LYS 5 CO 0.01 0.34 -0.37 -0.09 -2.06 0.00 0.00 179.45 177.27 2jtd h ARG 6 N 0.00 0.41 0.00 3.15 9.65 -1.83 -2.83 114.38 122.94 2jtd h ARG 6 Ca -0.00 -0.19 -0.03 0.00 -1.10 0.00 0.00 59.98 58.66 2jtd h ARG 6 Cb 0.66 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.23 2jtd h ARG 6 CO 0.04 0.73 -0.14 -0.07 2.80 0.00 0.00 179.97 183.33 2jtd h LEU 7 N 0.35 0.00 -1.17 3.80 3.38 -1.28 -2.20 115.31 118.19 2jtd h LEU 7 Ca 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2jtd h LEU 7 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2jtd h LEU 7 CO 0.07 0.14 -0.30 -0.07 0.09 0.00 0.00 178.44 178.36 2jtd h LEU 8 N 0.00 0.19 0.10 1.67 4.07 -1.50 -3.26 115.31 116.57 2jtd h LEU 8 Ca -0.00 -0.06 -0.33 0.00 0.08 0.00 0.00 57.88 57.57 2jtd h LEU 8 Cb 0.37 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 2jtd h LEU 8 CO 0.02 0.49 -1.77 0.00 -1.08 0.00 0.00 178.44 176.10 2jtd h ALA 9 N 1.52 0.37 -2.02 1.53 0.00 -1.53 -3.45 119.26 115.68 2jtd h ALA 9 Ca 0.02 -1.32 -0.59 0.00 0.00 0.00 0.00 54.91 53.03 2jtd h ALA 9 Cb 0.63 0.70 0.01 0.00 0.00 0.00 0.00 17.79 19.12 2jtd h ALA 9 CO 0.05 1.12 1.31 -0.11 0.00 0.00 0.00 179.25 181.62 2jtd n LEU 10 N -3.75 3.49 0.00 0.00 0.00 -0.89 -4.89 117.00 110.95 2jtd n LEU 10 Ca -0.31 0.63 -0.19 0.00 0.00 0.00 0.00 56.01 56.14 2jtd n LEU 10 Cb 0.95 -1.47 -0.03 0.00 0.00 0.00 0.00 43.42 42.87 2jtd n LEU 10 CO 0.37 -0.25 -0.08 -1.20 0.00 0.00 0.00 177.39 176.23 2jtd n SER 11 N 8.98 2.60 -4.68 1.96 7.64 -1.26 -4.91 113.62 123.96 2jtd n SER 11 Ca 0.26 -2.34 -0.43 0.00 1.01 0.00 0.00 58.87 57.38 2jtd n SER 11 Cb 0.38 0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.68 2jtd n SER 11 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2jtd s GLN 12 N -3.27 4.29 -0.92 1.43 -1.52 -1.26 -4.91 119.66 113.50 2jtd s GLN 12 Ca 0.07 1.72 -0.24 0.00 -1.95 0.00 0.00 55.36 54.96 2jtd s GLN 12 Cb -0.01 -3.65 -0.04 0.00 -0.22 0.00 0.00 33.01 29.09 2jtd s GLN 12 CO 0.05 -0.58 1.91 -1.83 -0.25 0.00 0.00 175.29 174.59 2jtd s GLU 13 N 2.79 2.64 -0.25 2.91 -1.05 -1.26 -4.93 118.70 119.55 2jtd s GLU 13 Ca 0.57 -0.38 -0.13 0.00 -0.15 0.00 0.00 54.97 54.89 2jtd s GLU 13 Cb -0.25 -5.09 -0.05 0.00 -0.44 0.00 0.00 34.13 28.31 2jtd s GLU 13 CO 0.20 -3.29 0.26 -1.58 0.95 0.00 0.00 175.26 171.79 2jtd s HIS 14 N 9.67 3.29 0.23 4.83 2.46 -1.26 -5.08 115.29 129.43 2jtd s HIS 14 Ca 0.68 0.31 -0.11 0.00 0.47 0.00 0.00 55.06 56.41 2jtd s HIS 14 Cb -0.06 -2.41 -0.07 0.00 -0.13 0.00 0.00 32.58 29.91 2jtd s HIS 14 CO -0.01 -0.07 0.57 0.15 -2.47 0.00 0.00 174.74 172.91 2jtd s LYS 15 N 1.50 3.87 -0.16 2.88 3.01 -1.26 -4.96 119.74 124.61 2jtd s LYS 15 Ca 0.11 0.37 -0.12 0.00 -1.01 0.00 0.00 55.97 55.32 2jtd s LYS 15 Cb -0.15 -2.68 -0.07 0.00 -1.01 0.00 0.00 37.83 33.93 2jtd s LYS 15 CO 0.08 0.33 -0.27 1.19 0.51 0.00 0.00 175.35 177.19 2jtd n PHE 16 N 0.02 0.00 -2.72 3.18 3.72 -1.26 -5.07 117.46 115.33 2jtd n PHE 16 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2jtd n PHE 16 Cb 0.52 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 2jtd n PHE 16 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2jtd n PRO 17 N -4.07 1.45 -3.24 -1.08 -0.04 -1.26 -5.06 135.00 121.69 2jtd n PRO 17 Ca -0.26 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.75 2jtd n PRO 17 Cb 0.60 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.00 2jtd n PRO 17 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jtd s THR 18 N 1.20 5.04 -0.15 0.52 2.01 -1.26 -5.06 115.64 117.94 2jtd s THR 18 Ca 0.00 -1.03 -0.04 0.00 0.31 0.00 0.00 61.69 60.93 2jtd s THR 18 Cb 0.00 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 2jtd s THR 18 CO 0.00 -0.85 0.00 0.54 -0.69 0.00 0.00 174.62 173.62 2jtd s VAL 19 N 2.14 4.27 -0.01 3.82 0.11 -1.26 -4.99 120.40 124.47 2jtd s VAL 19 Ca 0.08 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2jtd s VAL 19 Cb -0.25 -2.87 0.00 0.00 -1.53 0.00 0.00 36.38 31.74 2jtd s VAL 19 CO 0.07 0.51 0.76 -2.65 -3.33 0.00 0.00 175.10 170.46 2jtd n PRO 20 N 3.19 0.76 -2.88 1.54 -0.02 -1.26 -4.75 135.00 131.57 2jtd n PRO 20 Ca -0.17 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.24 2jtd n PRO 20 Cb 0.53 -1.12 0.01 0.00 -0.02 0.00 0.00 33.50 32.89 2jtd n PRO 20 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2jtd n THR 21 N 0.62 0.00 -0.63 3.45 5.66 -1.26 -4.69 114.28 117.43 2jtd n THR 21 Ca 0.00 -0.81 0.08 0.00 -3.05 0.00 0.00 64.05 60.26 2jtd n THR 21 Cb 0.38 0.66 0.24 0.00 -1.55 0.00 0.00 70.33 70.06 2jtd n THR 21 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2jtd n LYS 22 N -0.35 3.12 -3.56 1.09 4.76 -1.26 -4.89 118.16 117.06 2jtd n LYS 22 Ca -0.04 -2.57 -0.41 0.00 -2.87 0.00 0.00 58.31 52.42 2jtd n LYS 22 Cb 0.38 -1.66 -0.11 0.00 -1.84 0.00 0.00 35.03 31.80 2jtd n LYS 22 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jtd s SER 23 N -1.38 5.83 0.01 4.39 0.15 -1.26 -4.23 113.70 117.20 2jtd s SER 23 Ca 0.37 -0.97 0.01 0.00 0.70 0.00 0.00 55.95 56.06 2jtd s SER 23 Cb 0.26 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.48 2jtd s SER 23 CO 0.14 -0.40 0.02 -0.70 1.20 0.00 0.00 173.24 173.50 2jtd s GLU 24 N 1.58 2.83 -0.37 5.44 2.56 -1.26 -4.92 118.70 124.56 2jtd s GLU 24 Ca 0.03 -0.60 -0.09 0.00 0.00 0.00 0.00 54.97 54.31 2jtd s GLU 24 Cb -0.19 -2.70 0.04 0.00 2.00 0.00 0.00 34.13 33.28 2jtd s GLU 24 CO 0.07 0.62 0.18 -1.17 -0.56 0.00 0.00 175.26 174.40 2jtd s LEU 25 N -1.66 4.66 -0.25 2.70 1.98 -1.26 -3.15 118.68 121.70 2jtd s LEU 25 Ca 0.21 -1.18 -0.03 0.00 -2.89 0.00 0.00 54.13 50.24 2jtd s LEU 25 Cb -0.12 -1.95 0.02 0.00 0.66 0.00 0.00 46.19 44.80 2jtd s LEU 25 CO 0.12 -0.40 -0.03 0.00 -1.89 0.00 0.00 176.35 174.15 2jtd s ALA 26 N 1.46 2.78 -0.19 5.97 0.00 -0.71 -5.05 121.76 126.03 2jtd s ALA 26 Ca 0.01 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.58 2jtd s ALA 26 Cb -0.20 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.17 2jtd s ALA 26 CO 0.04 -0.76 -0.19 0.54 0.00 0.00 0.00 175.76 175.39 2jtd s VAL 27 N 1.39 2.05 -0.05 0.00 0.11 -1.26 -1.57 120.40 121.06 2jtd s VAL 27 Ca 0.02 -1.00 0.06 0.00 -2.93 0.00 0.00 61.98 58.13 2jtd s VAL 27 Cb -0.16 -1.89 -0.01 0.00 -1.53 0.00 0.00 36.38 32.79 2jtd s VAL 27 CO -0.03 0.48 -0.25 -0.70 -3.33 0.00 0.00 175.10 171.27 2jtd s GLU 28 N 1.28 2.48 -0.00 1.54 2.12 0.60 -4.99 118.70 121.73 2jtd s GLU 28 Ca 0.04 -0.90 0.03 0.00 0.36 0.00 0.00 54.97 54.49 2jtd s GLU 28 Cb -0.14 -2.13 -0.03 0.00 0.26 0.00 0.00 34.13 32.09 2jtd s GLU 28 CO -0.12 0.40 -0.06 0.42 -0.54 0.00 0.00 175.26 175.36 2jtd s ILE 29 N -0.21 3.71 0.12 -3.70 1.09 -1.26 0.29 121.20 121.25 2jtd s ILE 29 Ca -0.02 -0.73 0.09 0.00 -1.10 0.00 0.00 60.65 58.89 2jtd s ILE 29 Cb -0.13 -2.61 -0.04 0.00 -1.06 0.00 0.00 42.46 38.62 2jtd s ILE 29 CO 0.03 0.41 -0.19 -0.76 -0.10 0.00 0.00 174.94 174.33 2jtd s LEU 30 N -1.38 2.67 0.13 2.97 2.01 0.88 -4.45 118.68 121.51 2jtd s LEU 30 Ca 0.17 -0.59 0.20 0.00 0.01 0.00 0.00 54.13 53.92 2jtd s LEU 30 Cb -0.11 -1.51 0.82 0.00 0.01 0.00 0.00 46.19 45.40 2jtd s LEU 30 CO 0.07 0.17 1.61 -1.84 1.01 0.00 0.00 176.35 177.38 2jtd n GLU 31 N 0.76 0.10 -0.28 1.70 0.00 -1.26 -1.94 120.64 119.72 2jtd n GLU 31 Ca -0.16 0.32 0.02 0.00 0.00 0.00 0.00 57.16 57.34 2jtd n GLU 31 Cb 0.53 -1.68 0.12 0.00 0.00 0.00 0.00 31.44 30.41 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 -1.87 2.17 -2.80 3.44 5.02 -1.26 -4.84 118.16 118.02 2jtd n LYS 32 Ca 0.03 -0.97 -0.12 0.00 -2.02 0.00 0.00 58.31 55.23 2jtd n LYS 32 Cb 0.22 -1.72 0.03 0.00 -0.02 0.00 0.00 35.03 33.53 2jtd n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jtd n GLY 33 N 0.18 0.07 3.48 0.72 0.00 -0.82 -5.03 105.19 103.80 2jtd n GLY 33 Ca 0.09 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -5.33 2.27 -0.12 1.61 -1.52 -1.14 -4.47 119.66 110.95 2jtd s GLN 34 Ca 0.21 -0.86 -0.00 0.00 -1.95 0.00 0.00 55.36 52.76 2jtd s GLN 34 Cb -0.09 -2.29 0.02 0.00 -0.22 0.00 0.00 33.01 30.43 2jtd s GLN 34 CO 0.26 0.57 -0.10 0.54 -0.25 0.00 0.00 175.29 176.31 2jtd s VAL 35 N -0.88 1.23 -0.31 1.09 0.11 -0.78 -0.08 120.40 120.77 2jtd s VAL 35 Ca 0.14 -0.42 -0.06 0.00 -2.93 0.00 0.00 61.98 58.71 2jtd s VAL 35 Cb -0.11 -1.20 0.02 0.00 -1.53 0.00 0.00 36.38 33.57 2jtd s VAL 35 CO 0.04 0.40 0.08 -0.60 -3.33 0.00 0.00 175.10 171.70 2jtd s ARG 36 N 1.59 2.87 -0.18 1.54 3.52 0.15 -2.99 118.95 125.44 2jtd s ARG 36 Ca 0.04 -1.01 0.00 0.00 -0.13 0.00 0.00 55.73 54.64 2jtd s ARG 36 Cb -0.13 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.89 2jtd s ARG 36 CO -0.09 -0.54 -0.17 0.12 -0.81 0.00 0.00 175.30 173.82 2jtd s PHE 37 N 1.44 2.80 -0.02 5.12 2.19 -0.85 -0.29 117.98 128.37 2jtd s PHE 37 Ca 0.01 -1.40 -0.11 0.00 0.33 0.00 0.00 56.93 55.75 2jtd s PHE 37 Cb -0.18 -1.94 0.02 0.00 -1.31 0.00 0.00 43.02 39.61 2jtd s PHE 37 CO 0.02 -0.69 0.24 1.67 1.83 0.00 0.00 175.22 178.29 2jtd s TRP 38 N 1.21 -0.12 -0.00 10.12 1.48 -0.61 -0.07 118.94 130.94 2jtd s TRP 38 Ca 0.02 0.19 -0.09 0.00 -1.06 0.00 0.00 56.10 55.17 2jtd s TRP 38 Cb -0.14 0.05 0.01 0.00 -1.16 0.00 0.00 33.47 32.22 2jtd s TRP 38 CO -0.08 -0.32 0.17 0.00 -4.06 0.00 0.00 176.95 172.66 2jtd s MET 39 N -1.15 0.51 0.24 3.25 0.23 0.40 -1.74 119.30 121.05 2jtd s MET 39 Ca -0.12 -0.34 0.05 0.00 -1.03 0.00 0.00 55.69 54.25 2jtd s MET 39 Cb -0.06 0.22 -0.03 0.00 -1.53 0.00 0.00 34.83 33.43 2jtd s MET 39 CO 0.03 -0.12 0.35 -0.65 -2.03 0.00 0.00 175.02 172.59 2jtd s GLN 40 N -1.32 3.37 -0.00 3.16 1.11 -1.19 -1.21 119.66 123.59 2jtd s GLN 40 Ca -0.14 -0.80 -0.01 0.00 0.01 0.00 0.00 55.36 54.42 2jtd s GLN 40 Cb -0.07 -2.85 -0.00 0.00 -1.01 0.00 0.00 33.01 29.07 2jtd s GLN 40 CO 0.02 0.41 0.02 0.00 0.01 0.00 0.00 175.29 175.75 2jtd s ALA 41 N -2.00 -0.03 0.14 6.09 0.00 0.12 -4.08 121.76 122.00 2jtd s ALA 41 Ca 0.34 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.03 2jtd s ALA 41 Cb -0.09 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 2jtd s ALA 41 CO 0.29 -0.08 1.51 1.05 0.00 0.00 0.00 175.76 178.52 2jtd h GLU 42 N 5.46 0.91 -5.06 0.00 4.11 -1.82 -3.27 114.58 114.91 2jtd h GLU 42 Ca -0.27 -0.42 -0.60 0.00 0.07 0.00 0.00 59.36 58.13 2jtd h GLU 42 Cb 1.21 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 2jtd h GLU 42 CO 0.46 1.08 -0.50 0.15 0.07 0.00 0.00 179.01 180.26 2jtd s LYS 43 N -4.57 2.04 -0.00 1.06 3.01 -1.25 -4.61 119.74 115.42 2jtd s LYS 43 Ca -0.12 -2.28 0.14 0.00 -1.01 0.00 0.00 55.97 52.70 2jtd s LYS 43 Cb 0.11 -0.84 -0.16 0.00 -1.01 0.00 0.00 37.83 35.93 2jtd s LYS 43 CO 0.86 -0.48 0.53 1.47 0.51 0.00 0.00 175.35 178.24 2jtd n LEU 44 N -1.04 0.54 -4.20 3.17 -0.00 -1.14 -4.46 117.00 109.87 2jtd n LEU 44 Ca -0.10 -0.42 -0.35 0.00 -0.00 0.00 0.00 56.01 55.13 2jtd n LEU 44 Cb 0.65 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.94 2jtd n LEU 44 CO 0.35 0.13 -0.35 -0.55 -0.00 0.00 0.00 177.39 176.98 2jtd s SER 45 N -2.49 4.87 0.40 1.45 0.15 -1.26 -5.09 113.70 111.72 2jtd s SER 45 Ca 0.03 -1.16 0.08 0.00 0.70 0.00 0.00 55.95 55.60 2jtd s SER 45 Cb 0.10 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 2jtd s SER 45 CO 0.56 -0.24 0.54 -0.55 1.20 0.00 0.00 173.24 174.75 2jtd s SER 46 N 1.29 5.72 0.08 5.45 0.15 -1.26 -5.02 113.70 120.11 2jtd s SER 46 Ca -0.04 -0.37 0.10 0.00 0.70 0.00 0.00 55.95 56.34 2jtd s SER 46 Cb -0.19 -0.79 -0.20 0.00 -1.71 0.00 0.00 66.02 63.13 2jtd s SER 46 CO -0.01 -0.68 1.08 -1.13 1.20 0.00 0.00 173.24 173.70 2jtd h ASN 47 N 0.71 0.00 -0.48 5.45 -1.24 -1.92 -3.48 115.58 114.62 2jtd h ASN 47 Ca -0.41 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.60 2jtd h ASN 47 Cb 1.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.32 2jtd h ASN 47 CO 0.47 0.95 0.00 0.00 -1.29 0.00 0.00 177.43 177.56 2jtd n ALA 48 N -2.41 0.00 -2.62 1.57 0.00 -1.26 -5.07 120.51 110.72 2jtd n ALA 48 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 2jtd n ALA 48 Cb 0.96 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.26 2jtd n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jtd s LYS 49 N 0.91 2.58 -0.21 0.00 1.02 -1.22 -4.98 119.74 117.83 2jtd s LYS 49 Ca 0.00 -0.80 -0.11 0.00 0.02 0.00 0.00 55.97 55.08 2jtd s LYS 49 Cb 0.00 -2.28 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 2jtd s LYS 49 CO 0.00 0.47 0.16 0.54 -0.92 0.00 0.00 175.35 175.60 2jtd s VAL 50 N -0.36 5.38 -0.20 3.17 0.11 -1.26 -2.76 120.40 124.47 2jtd s VAL 50 Ca 0.03 0.22 -0.09 0.00 -2.93 0.00 0.00 61.98 59.21 2jtd s VAL 50 Cb -0.12 -3.50 -0.04 0.00 -1.53 0.00 0.00 36.38 31.19 2jtd s VAL 50 CO 0.02 0.39 0.09 -0.44 -3.33 0.00 0.00 175.10 171.84 2jtd s SER 51 N 0.67 5.84 -1.04 3.54 0.01 -0.66 -5.02 113.70 117.04 2jtd s SER 51 Ca 0.09 0.12 -0.17 0.00 1.31 0.00 0.00 55.95 57.29 2jtd s SER 51 Cb -0.12 -2.02 0.14 0.00 0.21 0.00 0.00 66.02 64.23 2jtd s SER 51 CO 0.01 0.16 1.26 -0.31 0.41 0.00 0.00 173.24 174.77 2jtd s TYR 52 N 0.48 3.23 -0.17 2.43 1.51 -1.26 -3.57 117.35 120.00 2jtd s TYR 52 Ca 0.05 -1.65 -0.06 0.00 -1.01 0.00 0.00 57.07 54.41 2jtd s TYR 52 Cb -0.12 -4.32 -0.03 0.00 -0.11 0.00 0.00 41.96 37.38 2jtd s TYR 52 CO 0.00 -1.48 0.02 0.42 -1.11 0.00 0.00 175.55 173.40 2jtd s ILE 53 N 2.39 4.36 -0.27 2.71 -1.09 -1.23 -2.62 121.20 125.46 2jtd s ILE 53 Ca 0.37 -0.19 0.02 0.00 -2.23 0.00 0.00 60.65 58.62 2jtd s ILE 53 Cb -0.04 -2.95 0.07 0.00 -1.58 0.00 0.00 42.46 37.97 2jtd s ILE 53 CO -0.06 0.47 -0.02 0.12 -1.23 0.00 0.00 174.94 174.23 2jtd s PHE 54 N 0.39 2.73 -1.08 3.97 5.36 0.13 -2.00 117.98 127.48 2jtd s PHE 54 Ca -0.00 -2.11 -0.10 0.00 -0.96 0.00 0.00 56.93 53.75 2jtd s PHE 54 Cb -0.13 -1.94 -0.05 0.00 -0.34 0.00 0.00 43.02 40.56 2jtd s PHE 54 CO 0.01 -0.84 0.88 -1.71 -1.46 0.00 0.00 175.22 172.10 2jtd n ASN 55 N 4.57 -6.11 0.00 6.13 2.85 0.20 -2.82 115.26 120.08 2jtd n ASN 55 Ca -0.08 -0.81 0.00 0.00 -0.11 0.00 0.00 54.58 53.59 2jtd n ASN 55 Cb 0.43 -4.64 0.00 0.00 1.24 0.00 0.00 39.78 36.81 2jtd n ASN 55 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2jtd n GLU 56 N -3.55 0.00 -4.18 1.20 1.02 -1.26 -4.93 120.64 108.93 2jtd n GLU 56 Ca -0.08 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.80 2jtd n GLU 56 Cb 0.61 -2.45 -0.07 0.00 -0.02 0.00 0.00 31.44 29.51 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 0.00 2.53 0.11 3.49 -0.14 -1.13 -5.05 119.74 119.56 2jtd s LYS 57 Ca 0.00 -1.08 -0.22 0.00 -1.36 0.00 0.00 55.97 53.31 2jtd s LYS 57 Cb 0.00 -2.41 -0.07 0.00 -1.68 0.00 0.00 37.83 33.67 2jtd s LYS 57 CO 0.00 0.45 0.65 -1.21 -0.76 0.00 0.00 175.35 174.48 2jtd s GLU 58 N -3.10 4.34 0.56 1.68 2.02 -1.26 0.22 118.70 123.16 2jtd s GLU 58 Ca 0.29 0.90 0.05 0.00 0.02 0.00 0.00 54.97 56.23 2jtd s GLU 58 Cb -0.09 -3.24 0.05 0.00 0.10 0.00 0.00 34.13 30.95 2jtd s GLU 58 CO 0.20 0.61 0.40 0.96 0.02 0.00 0.00 175.26 177.45 2jtd s ILE 59 N -1.13 1.50 0.07 -1.63 -4.36 -1.08 -4.90 121.20 109.68 2jtd s ILE 59 Ca 0.32 -1.52 -0.01 0.00 -0.26 0.00 0.00 60.65 59.18 2jtd s ILE 59 Cb -0.21 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 2jtd s ILE 59 CO 0.22 0.00 -0.01 0.72 0.24 0.00 0.00 174.94 176.11 2jtd s PHE 60 N -2.81 0.63 -0.13 1.37 -0.71 -1.26 -5.01 117.98 110.06 2jtd s PHE 60 Ca 0.31 -1.11 -0.29 0.00 -1.04 0.00 0.00 56.93 54.80 2jtd s PHE 60 Cb -0.02 -0.42 -0.05 0.00 -1.21 0.00 0.00 43.02 41.32 2jtd s PHE 60 CO 0.19 -0.40 1.73 -2.00 -1.34 0.00 0.00 175.22 173.40 2jtd s GLU 61 N -3.95 3.91 0.00 1.99 2.12 -1.26 -4.82 118.70 116.69 2jtd s GLU 61 Ca 0.12 2.00 0.00 0.00 0.36 0.00 0.00 54.97 57.45 2jtd s GLU 61 Cb 0.08 -4.06 0.00 0.00 0.26 0.00 0.00 34.13 30.40 2jtd s GLU 61 CO -0.07 -1.17 0.00 0.41 -0.54 0.00 0.00 175.26 173.89 2jtd n GLY 62 N 4.56 5.19 0.01 -1.50 0.00 -0.68 -5.03 105.19 107.75 2jtd n GLY 62 Ca 0.19 -0.71 -0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.02 -0.00 1.61 0.13 -2.03 -3.35 132.00 128.33 2jtd h PRO 63 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2jtd h PRO 63 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jtd h PRO 63 CO 0.00 -0.01 -0.66 0.36 -0.23 0.00 0.00 178.00 177.45 2jtd n LYS 64 N -2.06 0.30 -3.42 0.86 -0.00 -1.26 -4.87 118.16 107.71 2jtd n LYS 64 Ca -0.00 -0.22 -0.38 0.00 -0.00 0.00 0.00 58.31 57.71 2jtd n LYS 64 Cb 0.01 -1.50 -0.07 0.00 -0.00 0.00 0.00 35.03 33.47 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 -2.85 3.43 -0.15 5.58 2.02 -1.26 -4.48 117.35 119.64 2jtd s TYR 65 Ca 0.13 0.66 -0.04 0.00 -0.37 0.00 0.00 57.07 57.45 2jtd s TYR 65 Cb 0.17 -2.47 0.07 0.00 -0.40 0.00 0.00 41.96 39.33 2jtd s TYR 65 CO 0.72 0.10 0.23 0.21 -1.57 0.00 0.00 175.55 175.24 2jtd s LYS 66 N 0.92 0.15 0.19 -0.62 2.47 -1.21 -1.68 119.74 119.95 2jtd s LYS 66 Ca 0.19 0.49 0.11 0.00 -1.56 0.00 0.00 55.97 55.21 2jtd s LYS 66 Cb -0.14 -0.56 -0.04 0.00 -1.46 0.00 0.00 37.83 35.63 2jtd s LYS 66 CO 0.07 -0.45 -0.23 -1.64 0.16 0.00 0.00 175.35 173.26 2jtd s MET 67 N 2.36 1.55 -0.12 4.03 -1.94 -1.26 -0.09 119.30 123.83 2jtd s MET 67 Ca 0.04 -1.50 -0.11 0.00 -1.71 0.00 0.00 55.69 52.41 2jtd s MET 67 Cb -0.14 -1.87 0.03 0.00 2.01 0.00 0.00 34.83 34.87 2jtd s MET 67 CO -0.10 0.40 0.33 -1.01 -0.01 0.00 0.00 175.02 174.64 2jtd s HIS 68 N -1.64 -0.37 -0.42 -0.03 3.76 0.11 -4.98 115.29 111.71 2jtd s HIS 68 Ca 0.21 0.90 0.02 0.00 -0.15 0.00 0.00 55.06 56.03 2jtd s HIS 68 Cb -0.08 0.13 0.13 0.00 1.11 0.00 0.00 32.58 33.87 2jtd s HIS 68 CO 0.10 -0.19 0.21 -1.50 -0.85 0.00 0.00 174.74 172.52 2jtd s ILE 69 N 0.30 1.34 -0.91 0.60 2.07 -1.26 -0.87 121.20 122.47 2jtd s ILE 69 Ca -0.01 -2.38 -0.15 0.00 -1.41 0.00 0.00 60.65 56.69 2jtd s ILE 69 Cb -0.03 -1.95 0.19 0.00 0.13 0.00 0.00 42.46 40.80 2jtd s ILE 69 CO -0.01 -0.86 0.96 -1.81 -1.91 0.00 0.00 174.94 171.32 2jtd s ASP 70 N 0.55 6.79 -1.07 4.50 1.11 -1.23 -4.98 116.67 122.34 2jtd s ASP 70 Ca 0.16 -2.57 -0.15 0.00 0.18 0.00 0.00 52.55 50.18 2jtd s ASP 70 Cb -0.23 -2.29 0.18 0.00 1.07 0.00 0.00 42.92 41.65 2jtd s ASP 70 CO -0.03 -0.73 1.22 0.00 1.18 0.00 0.00 175.17 176.81 2jtd s ARG 71 N 1.00 3.90 -0.18 8.23 3.03 -1.26 -4.28 118.95 129.38 2jtd s ARG 71 Ca 0.26 -2.41 -0.21 0.00 2.03 0.00 0.00 55.73 55.40 2jtd s ARG 71 Cb -0.08 -4.88 -0.18 0.00 -1.03 0.00 0.00 34.95 28.79 2jtd s ARG 71 CO -0.09 -1.64 0.27 -0.91 -1.13 0.00 0.00 175.30 171.80 2jtd h ASN 72 N 7.68 0.00 0.00 -2.89 -0.26 -1.93 -3.46 115.58 114.72 2jtd h ASN 72 Ca 0.22 -0.53 0.00 0.00 -0.56 0.00 0.00 56.30 55.44 2jtd h ASN 72 Cb 0.94 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.20 2jtd h ASN 72 CO 1.11 1.27 -0.29 0.41 -1.06 0.00 0.00 177.43 178.88 2jtd n THR 73 N -4.50 0.75 0.00 2.81 -1.04 -1.26 -4.92 114.28 106.11 2jtd n THR 73 Ca -0.24 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2jtd n THR 73 Cb 0.57 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 2jtd n THR 73 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jtd n GLY 74 N 2.42 -1.51 2.89 3.41 0.00 -1.23 -2.88 105.19 108.28 2jtd n GLY 74 Ca -0.04 0.97 -0.18 0.00 0.00 0.00 0.00 46.02 46.77 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 0.00 0.39 -0.08 -0.61 -1.09 -1.26 0.16 121.20 118.71 2jtd s ILE 75 Ca 0.00 -0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.34 2jtd s ILE 75 Cb 0.00 -0.42 0.02 0.00 -1.58 0.00 0.00 42.46 40.49 2jtd s ILE 75 CO 0.00 0.17 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.19 2jtd s ILE 76 N 0.67 0.81 0.12 2.92 1.01 -0.35 -3.54 121.20 122.84 2jtd s ILE 76 Ca -0.08 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.40 2jtd s ILE 76 Cb -0.11 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 2jtd s ILE 76 CO -0.00 0.31 -0.10 -1.61 0.00 0.00 0.00 174.94 173.54 2jtd s GLU 77 N 1.37 0.95 -0.03 2.79 2.02 -0.05 -0.45 118.70 125.31 2jtd s GLU 77 Ca -0.03 -1.34 -0.01 0.00 0.02 0.00 0.00 54.97 53.62 2jtd s GLU 77 Cb -0.14 -0.53 0.02 0.00 0.10 0.00 0.00 34.13 33.59 2jtd s GLU 77 CO -0.03 0.06 0.05 1.41 0.02 0.00 0.00 175.26 176.77 2jtd s MET 78 N -3.46 0.01 -0.10 1.61 -2.45 0.90 -0.72 119.30 115.09 2jtd s MET 78 Ca 0.12 0.18 0.01 0.00 -1.25 0.00 0.00 55.69 54.76 2jtd s MET 78 Cb 0.01 -0.16 0.02 0.00 1.25 0.00 0.00 34.83 35.96 2jtd s MET 78 CO -0.01 -0.12 -0.10 0.12 1.05 0.00 0.00 175.02 175.96 2jtd s PHE 79 N 0.79 1.56 0.21 4.11 5.36 0.87 -2.00 117.98 128.87 2jtd s PHE 79 Ca -0.06 -0.72 -0.09 0.00 -0.96 0.00 0.00 56.93 55.10 2jtd s PHE 79 Cb -0.09 -1.21 -0.01 0.00 -0.34 0.00 0.00 43.02 41.36 2jtd s PHE 79 CO -0.03 -0.43 0.33 -1.64 -1.46 0.00 0.00 175.22 171.99 2jtd s MET 80 N 1.24 1.33 0.17 10.12 -1.94 -1.16 -3.32 119.30 125.73 2jtd s MET 80 Ca -0.03 -1.29 0.00 0.00 -1.71 0.00 0.00 55.69 52.65 2jtd s MET 80 Cb -0.14 0.40 0.00 0.00 2.01 0.00 0.00 34.83 37.10 2jtd s MET 80 CO -0.03 -0.51 0.00 -0.85 -0.01 0.00 0.00 175.02 173.62 2jtd n GLU 81 N -0.30 0.00 0.00 2.03 0.28 -1.26 -1.87 120.64 119.52 2jtd n GLU 81 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 2jtd n GLU 81 Cb 0.63 -0.05 0.00 0.00 1.43 0.00 0.00 31.44 33.45 2jtd n GLU 81 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2jtd n LYS 82 N -3.11 0.00 0.00 3.44 2.85 -1.26 -4.72 118.16 115.36 2jtd n LYS 82 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2jtd n LYS 82 Cb 0.02 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.40 2jtd n LYS 82 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2jtd n LEU 83 N 0.00 0.00 -4.89 -5.58 -0.00 -1.26 -4.86 117.00 100.41 2jtd n LEU 83 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.80 2jtd n LEU 83 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 2jtd n LEU 83 CO 0.00 -0.42 0.02 -1.10 -0.00 0.00 0.00 177.39 175.89 2jtd s GLN 84 N -0.84 2.51 0.43 1.96 -1.52 -1.26 -5.03 119.66 115.91 2jtd s GLN 84 Ca 0.00 -1.57 0.23 0.00 -1.95 0.00 0.00 55.36 52.07 2jtd s GLN 84 Cb 0.00 -2.38 0.47 0.00 -0.22 0.00 0.00 33.01 30.88 2jtd s GLN 84 CO 0.00 -0.26 1.65 0.38 -0.25 0.00 0.00 175.29 176.81 2jtd h ASP 85 N 0.96 0.00 0.52 5.90 2.03 -1.99 -2.82 116.42 121.01 2jtd h ASP 85 Ca -0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 2jtd h ASP 85 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2jtd h ASP 85 CO 0.56 0.10 0.00 -1.84 -1.03 0.00 0.00 179.24 177.03 2jtd n GLU 86 N -3.14 0.32 0.00 4.15 0.28 -1.26 -3.01 120.64 117.98 2jtd n GLU 86 Ca 0.03 0.05 0.14 0.00 -0.16 0.00 0.00 57.16 57.22 2jtd n GLU 86 Cb 0.53 -1.50 0.56 0.00 1.43 0.00 0.00 31.44 32.46 2jtd n GLU 86 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2jtd n ASP 87 N -1.31 0.61 -4.90 -1.84 8.00 -1.06 -4.83 116.55 111.22 2jtd n ASP 87 Ca 0.11 -0.67 -0.30 0.00 0.71 0.00 0.00 54.79 54.64 2jtd n ASP 87 Cb 0.21 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.24 2jtd n ASP 87 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2jtd s GLU 88 N -2.46 3.34 0.00 -1.24 2.56 -1.17 -4.97 118.70 114.77 2jtd s GLU 88 Ca 0.28 -0.52 0.00 0.00 0.00 0.00 0.00 54.97 54.74 2jtd s GLU 88 Cb 0.20 -2.97 0.00 0.00 2.00 0.00 0.00 34.13 33.36 2jtd s GLU 88 CO 0.48 0.59 0.00 0.41 -0.56 0.00 0.00 175.26 176.17 2jtd n GLY 89 N 0.16 -0.80 3.52 -1.50 0.00 -0.78 -4.89 105.19 100.89 2jtd n GLY 89 Ca -0.06 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 4.87 -0.02 2.61 2.01 -1.26 -0.65 115.64 119.19 2jtd s THR 90 Ca 0.00 0.11 -0.19 0.00 0.31 0.00 0.00 61.69 61.93 2jtd s THR 90 Cb 0.00 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 2jtd s THR 90 CO 0.00 -0.54 0.53 -0.31 -0.69 0.00 0.00 174.62 173.61 2jtd s TYR 91 N 2.72 3.67 -0.25 4.92 1.51 0.28 -0.63 117.35 129.56 2jtd s TYR 91 Ca 0.21 1.10 -0.03 0.00 -1.01 0.00 0.00 57.07 57.34 2jtd s TYR 91 Cb -0.14 -2.52 0.10 0.00 -0.11 0.00 0.00 41.96 39.28 2jtd s TYR 91 CO 0.18 0.39 0.18 0.99 -1.11 0.00 0.00 175.55 176.17 2jtd s THR 92 N -0.27 -0.20 -0.44 -0.71 2.01 -0.85 -0.00 115.64 115.18 2jtd s THR 92 Ca 0.28 -0.43 -0.19 0.00 0.31 0.00 0.00 61.69 61.65 2jtd s THR 92 Cb -0.17 -0.83 0.03 0.00 0.01 0.00 0.00 72.50 71.53 2jtd s THR 92 CO 0.15 -0.46 0.57 0.12 -0.69 0.00 0.00 174.62 174.31 2jtd s PHE 93 N 2.21 3.10 -0.32 4.92 5.36 0.51 -3.54 117.98 130.23 2jtd s PHE 93 Ca 0.07 -0.22 -0.14 0.00 -0.96 0.00 0.00 56.93 55.68 2jtd s PHE 93 Cb -0.15 -3.22 -0.03 0.00 -0.34 0.00 0.00 43.02 39.28 2jtd s PHE 93 CO -0.25 -0.84 0.31 -0.65 -1.46 0.00 0.00 175.22 172.34 2jtd s GLN 94 N 2.58 3.72 -0.22 10.12 -0.21 -1.23 -0.12 119.66 134.29 2jtd s GLN 94 Ca 0.18 -0.34 -0.05 0.00 0.02 0.00 0.00 55.36 55.17 2jtd s GLN 94 Cb -0.16 -3.75 -0.02 0.00 1.00 0.00 0.00 33.01 30.09 2jtd s GLN 94 CO 0.16 -0.40 -0.00 0.42 -2.12 0.00 0.00 175.29 173.35 2jtd s ILE 95 N 1.94 3.73 -0.32 1.08 1.01 -0.97 -1.66 121.20 126.00 2jtd s ILE 95 Ca 0.11 -0.37 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 2jtd s ILE 95 Cb -0.16 -2.71 0.03 0.00 0.01 0.00 0.00 42.46 39.63 2jtd s ILE 95 CO 0.11 0.40 0.08 -1.58 0.00 0.00 0.00 174.94 173.95 2jtd s GLN 96 N 1.43 2.70 -0.06 2.79 0.74 -1.11 -3.28 119.66 122.86 2jtd s GLN 96 Ca 0.05 -1.12 -0.10 0.00 0.05 0.00 0.00 55.36 54.25 2jtd s GLN 96 Cb -0.15 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.55 2jtd s GLN 96 CO -0.00 -0.60 -0.19 -3.47 -0.55 0.00 0.00 175.29 170.47 2jtd n ASP 97 N 4.79 1.52 0.00 6.67 2.03 -1.13 -3.42 116.55 127.01 2jtd n ASP 97 Ca -0.13 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2jtd n ASP 97 Cb 0.45 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 2jtd n ASP 97 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jtd n GLY 98 N 2.36 4.48 0.10 0.27 0.00 -1.26 -4.06 105.19 107.08 2jtd n GLY 98 Ca -0.10 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 2jtd n GLY 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jtd n LYS 99 N 0.00 0.88 -4.98 1.61 3.00 -1.26 -4.95 118.16 112.46 2jtd n LYS 99 Ca 0.00 0.02 -0.27 0.00 -0.00 0.00 0.00 58.31 58.06 2jtd n LYS 99 Cb 0.00 -1.48 -0.16 0.00 0.00 0.00 0.00 35.03 33.39 2jtd n LYS 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jtd s ALA 100 N -2.46 1.70 0.01 3.14 0.00 -1.26 -4.95 121.76 117.94 2jtd s ALA 100 Ca -0.13 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2jtd s ALA 100 Cb 0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 2jtd s ALA 100 CO 0.73 0.38 -0.03 0.95 0.00 0.00 0.00 175.76 177.80 2jtd s THR 101 N -0.33 0.15 -2.46 0.00 -4.23 -1.26 -2.86 115.64 104.65 2jtd s THR 101 Ca 0.04 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2jtd s THR 101 Cb -0.09 -0.22 0.00 0.00 1.34 0.00 0.00 72.50 73.53 2jtd s THR 101 CO 0.00 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 2jtd n GLY 102 N 2.22 -1.54 2.82 3.99 0.00 -1.21 -5.06 105.19 106.41 2jtd n GLY 102 Ca -0.19 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 2jtd n GLY 102 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jtd s HIS 103 N -2.67 0.16 -0.63 1.61 -3.43 -1.26 -2.30 115.29 106.77 2jtd s HIS 103 Ca 0.00 0.05 -0.16 0.00 -0.80 0.00 0.00 55.06 54.14 2jtd s HIS 103 Cb 0.00 -0.27 0.14 0.00 -1.43 0.00 0.00 32.58 31.02 2jtd s HIS 103 CO 0.00 -0.08 0.63 -1.12 -2.00 0.00 0.00 174.74 172.17 2jtd s SER 104 N 0.81 6.32 -0.29 7.38 0.01 0.83 -4.92 113.70 123.83 2jtd s SER 104 Ca -0.07 -1.89 -0.11 0.00 1.31 0.00 0.00 55.95 55.19 2jtd s SER 104 Cb -0.10 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2jtd s SER 104 CO -0.02 -0.88 0.18 -0.89 0.41 0.00 0.00 173.24 172.04 2jtd s THR 105 N 1.64 5.07 -0.12 1.44 2.01 -1.26 -0.36 115.64 124.07 2jtd s THR 105 Ca 0.09 -0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 2jtd s THR 105 Cb -0.24 -3.47 0.04 0.00 0.01 0.00 0.00 72.50 68.85 2jtd s THR 105 CO 0.01 0.19 0.04 -0.22 -0.69 0.00 0.00 174.62 173.94 2jtd s LEU 106 N 1.71 0.63 -0.16 4.42 1.98 1.00 -5.00 118.68 123.27 2jtd s LEU 106 Ca 0.06 -0.35 -0.04 0.00 -2.89 0.00 0.00 54.13 50.91 2jtd s LEU 106 Cb -0.16 -0.40 -0.03 0.00 0.66 0.00 0.00 46.19 46.26 2jtd s LEU 106 CO 0.09 -0.26 -0.02 0.54 -1.89 0.00 0.00 176.35 174.81 2jtd s VAL 107 N 2.00 4.09 -0.28 1.68 0.11 -1.26 -0.56 120.40 126.18 2jtd s VAL 107 Ca 0.03 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 2jtd s VAL 107 Cb -0.14 -2.80 0.08 0.00 -1.53 0.00 0.00 36.38 31.99 2jtd s VAL 107 CO -0.06 0.49 0.04 -0.76 -3.33 0.00 0.00 175.10 171.48 2jtd s LEU 108 N 0.30 2.61 -0.04 2.54 1.43 0.17 -4.67 118.68 121.02 2jtd s LEU 108 Ca -0.02 -1.48 -0.26 0.00 -1.03 0.00 0.00 54.13 51.35 2jtd s LEU 108 Cb -0.14 -1.05 0.05 0.00 0.03 0.00 0.00 46.19 45.09 2jtd s LEU 108 CO 0.02 -0.34 0.56 0.27 0.23 0.00 0.00 176.35 177.09 2jtd s ILE 109 N 1.47 0.02 0.00 -0.59 -4.36 -1.26 -1.87 121.20 114.60 2jtd s ILE 109 Ca 0.04 -0.16 0.00 0.00 -0.26 0.00 0.00 60.65 60.27 2jtd s ILE 109 Cb -0.18 -0.87 0.00 0.00 1.25 0.00 0.00 42.46 42.66 2jtd s ILE 109 CO -0.14 -0.09 0.00 0.61 0.24 0.00 0.00 174.94 175.56 2jtd n GLY 110 N 1.05 3.21 0.21 6.27 0.00 -1.26 -0.60 105.19 114.06 2jtd n GLY 110 Ca -0.20 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.00 2jtd n GLY 110 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jtd h ASP 111 N 0.00 0.00 -0.85 1.61 3.58 -2.02 -3.28 116.42 115.46 2jtd h ASP 111 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2jtd h ASP 111 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 2jtd h ASP 111 CO 0.00 0.23 0.42 0.58 -2.88 0.00 0.00 179.24 177.58 2jtd h VAL 112 N 0.00 1.26 0.00 2.25 2.07 -1.23 -2.85 116.25 117.74 2jtd h VAL 112 Ca -0.00 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2jtd h VAL 112 Cb 0.94 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2jtd h VAL 112 CO 0.03 0.31 0.00 0.10 0.02 0.00 0.00 177.57 178.03 2jtd h TYR 113 N 1.20 0.00 0.00 1.57 -0.00 -1.59 -1.98 116.97 116.17 2jtd h TYR 113 Ca 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.92 2jtd h TYR 113 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.82 2jtd h TYR 113 CO 0.01 0.00 -0.51 1.57 -0.00 0.00 0.00 178.16 179.24 2jtd h LYS 114 N 0.00 0.00 0.30 0.10 5.09 -1.70 -2.78 116.57 117.58 2jtd h LYS 114 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 2jtd h LYS 114 Cb 0.48 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.82 2jtd h LYS 114 CO 0.00 0.51 -0.14 -0.22 -2.09 0.00 0.00 179.45 177.50 2jtd h LYS 115 N 0.00 -0.39 -0.19 0.07 3.64 -1.43 -0.23 116.57 118.04 2jtd h LYS 115 Ca -0.01 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2jtd h LYS 115 Cb 1.26 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 2jtd h LYS 115 CO 0.07 -0.05 0.01 -0.07 -2.27 0.00 0.00 179.45 177.13 2jtd h LEU 116 N -0.84 0.24 -0.02 5.20 -0.00 -1.65 -1.98 115.31 116.27 2jtd h LEU 116 Ca -0.04 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.79 2jtd h LEU 116 Cb 0.52 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 2jtd h LEU 116 CO 0.07 0.29 -0.07 -0.61 -0.00 0.00 0.00 178.44 178.12 2jtd h GLN 117 N 0.26 0.08 0.00 1.13 4.15 -1.43 -3.04 115.11 116.26 2jtd h GLN 117 Ca 0.06 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.33 2jtd h GLN 117 Cb 0.17 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2jtd h GLN 117 CO 0.00 0.70 -0.46 0.87 -1.93 0.00 0.00 178.83 178.01 2jtd h LYS 118 N -0.52 0.00 0.00 1.69 1.79 -0.91 -1.88 116.57 116.73 2jtd h LYS 118 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jtd h LYS 118 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2jtd h LYS 118 CO 0.01 0.46 0.00 0.39 -1.08 0.00 0.00 179.45 179.23 2jtd n GLU 119 N -3.61 0.04 -0.09 3.15 1.02 -0.75 -3.85 120.64 116.55 2jtd n GLU 119 Ca -0.00 0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 57.12 2jtd n GLU 119 Cb 0.55 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 2jtd n GLU 119 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jtd n ALA 120 N -1.55 0.67 -2.62 0.62 0.00 -0.85 -4.99 120.51 111.79 2jtd n ALA 120 Ca 0.06 -0.60 -0.21 0.00 0.00 0.00 0.00 53.44 52.70 2jtd n ALA 120 Cb 0.32 -0.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.60 2jtd n ALA 120 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jtd s GLU 121 N -2.48 1.00 0.00 0.00 2.02 -0.77 -5.03 118.70 113.45 2jtd s GLU 121 Ca -0.22 -0.74 0.31 0.00 0.02 0.00 0.00 54.97 54.34 2jtd s GLU 121 Cb 0.04 -1.01 1.77 0.00 0.10 0.00 0.00 34.13 35.02 2jtd s GLU 121 CO 0.34 0.26 2.15 0.34 0.02 0.00 0.00 175.26 178.37