#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtd n GLU 2 N 0.00 3.78 -1.71 3.49 -0.58 -1.26 -5.05 120.64 119.31 2jtd n GLU 2 Ca 0.00 -4.63 -0.43 0.00 -0.42 0.00 0.00 57.16 51.68 2jtd n GLU 2 Cb 0.00 -2.40 -0.01 0.00 -0.57 0.00 0.00 31.44 28.45 2jtd n GLU 2 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2jtd n GLU 3 N 0.97 2.31 0.30 3.49 4.71 -1.26 -4.86 120.64 126.29 2jtd n GLU 3 Ca 0.29 0.82 0.18 0.00 -0.01 0.00 0.00 57.16 58.44 2jtd n GLU 3 Cb 0.36 -2.49 0.90 0.00 -1.01 0.00 0.00 31.44 29.20 2jtd n GLU 3 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jtd h MET 4 N 3.73 0.00 -0.45 3.49 -0.00 -2.00 0.65 114.93 120.36 2jtd h MET 4 Ca -0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.22 2jtd h MET 4 Cb 1.26 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.84 2jtd h MET 4 CO 0.71 0.04 0.21 0.87 -0.00 0.00 0.00 176.91 178.74 2jtd h LYS 5 N 0.00 0.62 0.00 -0.10 1.79 -2.00 -2.48 116.57 114.40 2jtd h LYS 5 Ca -0.00 -0.07 -0.11 0.00 -2.18 0.00 0.00 60.65 58.28 2jtd h LYS 5 Cb 0.26 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 2jtd h LYS 5 CO 0.00 0.49 -0.54 -0.09 -1.08 0.00 0.00 179.45 178.24 2jtd h ARG 6 N 0.63 0.00 0.00 3.15 2.43 -1.22 -2.44 114.38 116.92 2jtd h ARG 6 Ca 0.16 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 2jtd h ARG 6 Cb 0.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2jtd h ARG 6 CO -0.02 0.54 -0.32 -0.07 -1.51 0.00 0.00 179.97 178.59 2jtd h LEU 7 N 0.00 0.00 0.00 3.80 3.38 -1.30 0.25 115.31 121.45 2jtd h LEU 7 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jtd h LEU 7 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2jtd h LEU 7 CO 0.07 0.32 -0.67 0.18 0.09 0.00 0.00 178.44 178.43 2jtd n LEU 8 N -3.71 0.64 0.08 1.67 7.99 -1.11 -3.95 117.00 118.61 2jtd n LEU 8 Ca -0.01 0.15 -0.21 0.00 -0.01 0.00 0.00 56.01 55.92 2jtd n LEU 8 Cb 0.42 -0.18 -0.15 0.00 -0.11 0.00 0.00 43.42 43.40 2jtd n LEU 8 CO 0.36 -0.00 -0.03 0.00 -1.51 0.00 0.00 177.39 176.20 2jtd h ALA 9 N 2.61 -0.09 -1.67 -1.18 0.00 -0.78 -3.42 119.26 114.72 2jtd h ALA 9 Ca 0.00 -0.74 -0.55 0.00 0.00 0.00 0.00 54.91 53.62 2jtd h ALA 9 Cb 0.69 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2jtd h ALA 9 CO 0.00 0.49 1.11 -0.51 0.00 0.00 0.00 179.25 180.35 2jtd s LEU 10 N -7.84 3.47 0.00 0.00 1.43 -0.03 -4.85 118.68 110.86 2jtd s LEU 10 Ca -0.12 0.55 0.06 0.00 -1.03 0.00 0.00 54.13 53.59 2jtd s LEU 10 Cb 0.02 -3.24 0.09 0.00 0.03 0.00 0.00 46.19 43.09 2jtd s LEU 10 CO 0.87 -1.64 0.68 -0.24 0.23 0.00 0.00 176.35 176.25 2jtd n SER 11 N 9.50 1.59 -4.86 2.29 2.88 -1.26 -4.91 113.62 118.86 2jtd n SER 11 Ca 0.15 -2.19 -0.31 0.00 -1.33 0.00 0.00 58.87 55.19 2jtd n SER 11 Cb 0.49 -0.38 0.01 0.00 -0.75 0.00 0.00 64.21 63.57 2jtd n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jtd s GLN 12 N -4.22 3.60 -0.38 -1.46 -2.07 -1.26 -5.04 119.66 108.83 2jtd s GLN 12 Ca 0.50 0.81 -0.04 0.00 -1.82 0.00 0.00 55.36 54.82 2jtd s GLN 12 Cb -0.04 -2.08 0.09 0.00 -1.09 0.00 0.00 33.01 29.89 2jtd s GLN 12 CO 0.32 -0.56 0.16 -2.00 -1.32 0.00 0.00 175.29 171.89 2jtd s GLU 13 N -4.94 2.25 -0.36 9.60 -6.30 -1.26 -4.86 118.70 112.82 2jtd s GLU 13 Ca 0.56 -1.59 0.13 0.00 -2.50 0.00 0.00 54.97 51.56 2jtd s GLU 13 Cb -0.11 -3.53 0.42 0.00 0.00 0.00 0.00 34.13 30.91 2jtd s GLU 13 CO 0.50 -0.93 1.27 1.58 0.02 0.00 0.00 175.26 177.70 2jtd n HIS 14 N 4.67 -1.31 -2.74 5.30 -0.00 -1.26 -5.13 115.22 114.75 2jtd n HIS 14 Ca -0.07 -2.12 -0.39 0.00 0.46 0.00 0.00 57.72 55.60 2jtd n HIS 14 Cb 0.42 1.00 -0.06 0.00 -0.12 0.00 0.00 29.99 31.24 2jtd n HIS 14 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 2jtd s LYS 15 N -0.87 4.79 -0.25 1.57 2.47 -1.26 -4.99 119.74 121.20 2jtd s LYS 15 Ca 0.22 1.47 -0.10 0.00 -1.56 0.00 0.00 55.97 56.00 2jtd s LYS 15 Cb 0.42 -3.17 -0.11 0.00 -1.46 0.00 0.00 37.83 33.50 2jtd s LYS 15 CO -0.06 0.45 -0.30 1.19 0.16 0.00 0.00 175.35 176.79 2jtd n PHE 16 N 1.27 0.00 -0.50 4.03 3.72 -1.26 -4.63 117.46 120.09 2jtd n PHE 16 Ca -0.01 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.35 2jtd n PHE 16 Cb 0.48 -0.89 -0.06 0.00 -0.94 0.00 0.00 39.48 38.07 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 -3.95 1.00 -2.42 -1.08 -0.04 -1.26 -4.84 135.00 122.42 2jtd n PRO 17 Ca -0.47 -0.37 -0.26 0.00 -0.04 0.00 0.00 63.50 62.36 2jtd n PRO 17 Cb 0.86 -1.55 0.15 0.00 -0.04 0.00 0.00 33.50 32.92 2jtd n PRO 17 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jtd s THR 18 N 1.31 2.02 0.39 0.52 -4.23 -1.26 -5.12 115.64 109.25 2jtd s THR 18 Ca 0.25 -0.43 0.04 0.00 -1.18 0.00 0.00 61.69 60.36 2jtd s THR 18 Cb 0.12 -2.58 0.07 0.00 1.34 0.00 0.00 72.50 71.44 2jtd s THR 18 CO 0.00 0.00 0.53 1.33 -0.54 0.00 0.00 174.62 175.94 2jtd n VAL 19 N -3.18 0.00 0.04 2.29 0.24 -1.26 -4.96 118.33 111.50 2jtd n VAL 19 Ca 0.17 -1.13 0.22 0.00 -2.04 0.00 0.00 64.34 61.56 2jtd n VAL 19 Cb 0.60 -0.82 0.70 0.00 -1.47 0.00 0.00 33.84 32.85 2jtd n VAL 19 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 2jtd h PRO 20 N 0.00 0.00 0.00 7.34 0.11 -2.00 -3.42 132.00 134.04 2jtd h PRO 20 Ca -0.18 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.48 2jtd h PRO 20 Cb 0.77 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 2jtd h PRO 20 CO 0.23 0.00 -0.17 0.25 -0.21 0.00 0.00 178.00 178.10 2jtd n THR 21 N -3.61 0.00 -1.03 -1.15 -2.24 -1.26 -5.03 114.28 99.95 2jtd n THR 21 Ca 0.10 -1.74 0.06 0.00 -2.27 0.00 0.00 64.05 60.20 2jtd n THR 21 Cb 0.77 -0.26 0.28 0.00 -2.10 0.00 0.00 70.33 69.02 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 -1.71 3.20 -3.21 -0.78 4.76 -1.26 -4.87 118.16 114.28 2jtd n LYS 22 Ca 0.03 -2.95 -0.46 0.00 -2.87 0.00 0.00 58.31 52.06 2jtd n LYS 22 Cb 0.51 -1.95 -0.02 0.00 -1.84 0.00 0.00 35.03 31.73 2jtd n LYS 22 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2jtd s SER 23 N -1.73 6.81 -0.11 4.39 0.01 -1.26 -3.66 113.70 118.15 2jtd s SER 23 Ca 0.46 -2.64 0.01 0.00 1.31 0.00 0.00 55.95 55.09 2jtd s SER 23 Cb 0.37 -2.27 -0.02 0.00 0.21 0.00 0.00 66.02 64.32 2jtd s SER 23 CO 0.10 -0.67 -0.14 -0.70 0.41 0.00 0.00 173.24 172.23 2jtd s GLU 24 N 0.70 3.12 -0.39 12.44 2.12 -0.91 -4.93 118.70 130.85 2jtd s GLU 24 Ca 0.24 -0.70 -0.16 0.00 0.36 0.00 0.00 54.97 54.71 2jtd s GLU 24 Cb -0.08 -2.54 0.01 0.00 0.26 0.00 0.00 34.13 31.77 2jtd s GLU 24 CO -0.09 0.33 0.39 -1.17 -0.54 0.00 0.00 175.26 174.19 2jtd s LEU 25 N 0.04 4.72 -0.13 2.70 1.98 -1.26 -1.89 118.68 124.83 2jtd s LEU 25 Ca -0.05 -0.52 -0.01 0.00 -2.89 0.00 0.00 54.13 50.66 2jtd s LEU 25 Cb -0.14 -2.34 -0.02 0.00 0.66 0.00 0.00 46.19 44.34 2jtd s LEU 25 CO 0.04 -0.47 -0.10 0.00 -1.89 0.00 0.00 176.35 173.93 2jtd s ALA 26 N 2.04 2.75 -0.20 5.97 0.00 -0.93 -4.94 121.76 126.46 2jtd s ALA 26 Ca 0.11 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.20 2jtd s ALA 26 Cb -0.17 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.65 2jtd s ALA 26 CO 0.12 0.26 -0.15 0.08 0.00 0.00 0.00 175.76 176.08 2jtd s VAL 27 N 0.27 2.44 0.05 0.00 1.01 -1.26 -2.58 120.40 120.32 2jtd s VAL 27 Ca -0.07 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.09 2jtd s VAL 27 Cb -0.15 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2jtd s VAL 27 CO 0.05 0.46 -0.10 -0.70 0.00 0.00 0.00 175.10 174.80 2jtd s GLU 28 N 1.33 2.30 -0.09 2.72 -6.30 0.92 -5.01 118.70 114.57 2jtd s GLU 28 Ca 0.04 -0.89 0.03 0.00 -2.50 0.00 0.00 54.97 51.66 2jtd s GLU 28 Cb -0.14 -2.36 0.00 0.00 0.00 0.00 0.00 34.13 31.63 2jtd s GLU 28 CO -0.10 0.55 -0.20 0.42 0.02 0.00 0.00 175.26 175.96 2jtd s ILE 29 N -1.06 1.75 -0.14 -3.70 1.01 -1.26 -0.41 121.20 117.39 2jtd s ILE 29 Ca 0.18 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 60.00 2jtd s ILE 29 Cb -0.11 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 2jtd s ILE 29 CO 0.09 0.49 -0.16 -0.76 0.00 0.00 0.00 174.94 174.61 2jtd s LEU 30 N 0.48 2.51 0.00 2.97 1.43 0.10 -4.63 118.68 121.55 2jtd s LEU 30 Ca -0.17 -0.43 0.27 0.00 -1.03 0.00 0.00 54.13 52.77 2jtd s LEU 30 Cb -0.17 -1.56 1.52 0.00 0.03 0.00 0.00 46.19 46.00 2jtd s LEU 30 CO 0.07 0.12 1.99 -1.84 0.23 0.00 0.00 176.35 176.91 2jtd n GLU 31 N 3.81 1.10 -0.04 1.70 -0.00 -1.26 -2.03 120.64 123.92 2jtd n GLU 31 Ca -0.19 -0.15 0.09 0.00 -0.00 0.00 0.00 57.16 56.91 2jtd n GLU 31 Cb 0.52 -1.43 0.42 0.00 -0.00 0.00 0.00 31.44 30.95 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 -0.75 1.33 0.00 3.44 4.01 -1.26 -4.85 118.16 120.08 2jtd n LYS 32 Ca 0.20 -0.51 0.00 0.00 -0.51 0.00 0.00 58.31 57.49 2jtd n LYS 32 Cb 0.13 -1.31 0.00 0.00 -0.51 0.00 0.00 35.03 33.34 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 0.92 0.98 2.88 0.72 0.00 -1.04 -5.09 105.19 104.56 2jtd n GLY 33 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 2jtd n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jtd s GLN 34 N 0.04 0.34 -0.24 1.61 2.00 -0.86 -3.86 119.66 118.68 2jtd s GLN 34 Ca 0.00 -0.04 -0.02 0.00 -2.00 0.00 0.00 55.36 53.31 2jtd s GLN 34 Cb 0.00 -0.42 0.02 0.00 0.80 0.00 0.00 33.01 33.41 2jtd s GLN 34 CO 0.00 -0.03 -0.07 0.08 -0.50 0.00 0.00 175.29 174.77 2jtd s VAL 35 N 0.49 2.87 -0.41 1.34 1.01 -0.32 -0.72 120.40 124.68 2jtd s VAL 35 Ca -0.05 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.80 2jtd s VAL 35 Cb -0.08 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.88 2jtd s VAL 35 CO -0.01 0.24 0.41 -0.60 0.00 0.00 0.00 175.10 175.14 2jtd s ARG 36 N 1.34 3.15 -0.21 2.72 3.52 0.45 -2.75 118.95 127.18 2jtd s ARG 36 Ca 0.01 -0.74 -0.02 0.00 -0.13 0.00 0.00 55.73 54.85 2jtd s ARG 36 Cb -0.16 -3.94 0.00 0.00 -1.56 0.00 0.00 34.95 29.29 2jtd s ARG 36 CO -0.05 -0.79 -0.09 0.12 -0.81 0.00 0.00 175.30 173.68 2jtd s PHE 37 N 2.06 2.90 -0.12 5.12 2.19 -1.18 -0.05 117.98 128.89 2jtd s PHE 37 Ca 0.11 -1.14 -0.14 0.00 0.33 0.00 0.00 56.93 56.09 2jtd s PHE 37 Cb -0.17 -2.04 0.04 0.00 -1.31 0.00 0.00 43.02 39.53 2jtd s PHE 37 CO 0.13 -0.62 0.38 1.67 1.83 0.00 0.00 175.22 178.61 2jtd s TRP 38 N 1.39 -0.39 0.02 10.12 1.48 -1.07 -0.85 118.94 129.64 2jtd s TRP 38 Ca 0.05 0.90 0.04 0.00 -1.06 0.00 0.00 56.10 56.03 2jtd s TRP 38 Cb -0.14 0.14 -0.02 0.00 -1.16 0.00 0.00 33.47 32.30 2jtd s TRP 38 CO -0.06 -0.25 -0.13 0.00 -4.06 0.00 0.00 176.95 172.46 2jtd s MET 39 N -0.11 0.92 -0.03 3.25 0.23 0.11 -2.18 119.30 121.49 2jtd s MET 39 Ca -0.03 -0.59 -0.06 0.00 -1.03 0.00 0.00 55.69 53.98 2jtd s MET 39 Cb -0.03 -0.89 -0.04 0.00 -1.53 0.00 0.00 34.83 32.33 2jtd s MET 39 CO 0.01 0.23 0.21 1.14 -2.03 0.00 0.00 175.02 174.59 2jtd s GLN 40 N -0.74 3.51 0.01 3.16 -2.07 -0.79 -2.21 119.66 120.53 2jtd s GLN 40 Ca 0.02 -0.15 0.01 0.00 -1.82 0.00 0.00 55.36 53.43 2jtd s GLN 40 Cb -0.06 -3.12 -0.01 0.00 -1.09 0.00 0.00 33.01 28.73 2jtd s GLN 40 CO 0.00 0.69 -0.04 0.00 -1.32 0.00 0.00 175.29 174.62 2jtd s ALA 41 N -1.23 0.32 -0.06 2.60 0.00 -0.92 -2.14 121.76 120.32 2jtd s ALA 41 Ca 0.24 -0.36 0.14 0.00 0.00 0.00 0.00 51.96 51.97 2jtd s ALA 41 Cb -0.13 -0.01 -0.21 0.00 0.00 0.00 0.00 23.12 22.77 2jtd s ALA 41 CO 0.14 0.01 0.68 -0.85 0.00 0.00 0.00 175.76 175.74 2jtd n GLU 42 N 2.40 0.63 -3.93 0.00 0.00 -1.26 -4.70 120.64 113.78 2jtd n GLU 42 Ca -0.17 0.28 -0.33 0.00 0.00 0.00 0.00 57.16 56.93 2jtd n GLU 42 Cb 0.57 -1.79 -0.05 0.00 0.00 0.00 0.00 31.44 30.17 2jtd n GLU 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2jtd s LYS 43 N -2.66 3.38 0.00 3.44 1.02 -1.26 -4.99 119.74 118.66 2jtd s LYS 43 Ca -0.04 -0.34 0.12 0.00 0.02 0.00 0.00 55.97 55.73 2jtd s LYS 43 Cb 0.08 -3.06 0.09 0.00 -0.52 0.00 0.00 37.83 34.42 2jtd s LYS 43 CO 0.82 0.68 0.88 1.47 -0.92 0.00 0.00 175.35 178.28 2jtd n LEU 44 N 1.03 1.99 -4.82 3.17 -0.00 -1.26 -4.69 117.00 112.42 2jtd n LEU 44 Ca -0.12 -1.00 -0.35 0.00 -0.00 0.00 0.00 56.01 54.54 2jtd n LEU 44 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.89 2jtd n LEU 44 CO 0.42 0.37 0.44 -0.94 -0.00 0.00 0.00 177.39 177.68 2jtd s SER 45 N -1.00 7.01 0.00 1.45 1.04 -1.26 -4.83 113.70 116.11 2jtd s SER 45 Ca 0.14 1.42 -0.05 0.00 0.48 0.00 0.00 55.95 57.94 2jtd s SER 45 Cb 0.10 -2.42 -0.20 0.00 0.10 0.00 0.00 66.02 63.60 2jtd s SER 45 CO 0.15 -0.03 2.95 -1.20 0.98 0.00 0.00 173.24 176.09 2jtd n SER 46 N 0.45 4.30 0.01 7.02 7.64 -1.26 -3.98 113.62 127.81 2jtd n SER 46 Ca -0.01 -2.29 -0.22 0.00 1.01 0.00 0.00 58.87 57.37 2jtd n SER 46 Cb 0.51 -1.14 -0.14 0.00 -1.01 0.00 0.00 64.21 62.43 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 3.38 0.40 -3.42 6.43 -0.73 -1.96 -3.43 115.58 116.25 2jtd h ASN 47 Ca 0.14 -0.86 -0.66 0.00 1.87 0.00 0.00 56.30 56.79 2jtd h ASN 47 Cb 1.21 -0.13 -0.16 0.00 0.27 0.00 0.00 38.32 39.51 2jtd h ASN 47 CO 0.26 1.69 0.16 0.00 -0.37 0.00 0.00 177.43 179.17 2jtd s ALA 48 N -2.50 3.33 -0.19 1.57 0.00 -1.26 -4.96 121.76 117.75 2jtd s ALA 48 Ca -0.21 -1.40 -0.27 0.00 0.00 0.00 0.00 51.96 50.09 2jtd s ALA 48 Cb 0.05 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 2jtd s ALA 48 CO 0.77 -1.95 0.92 0.15 0.00 0.00 0.00 175.76 175.64 2jtd s LYS 49 N 2.92 4.28 -0.40 0.00 1.02 -1.25 -4.85 119.74 121.47 2jtd s LYS 49 Ca 0.21 1.16 -0.12 0.00 0.02 0.00 0.00 55.97 57.24 2jtd s LYS 49 Cb -0.16 -3.60 0.04 0.00 -0.52 0.00 0.00 37.83 33.59 2jtd s LYS 49 CO 0.17 -0.45 0.24 0.08 -0.92 0.00 0.00 175.35 174.47 2jtd s VAL 50 N 2.57 4.68 -0.16 3.17 1.01 -1.26 -2.66 120.40 127.74 2jtd s VAL 50 Ca 0.41 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 2jtd s VAL 50 Cb -0.16 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2jtd s VAL 50 CO 0.10 -0.32 0.23 -0.44 0.00 0.00 0.00 175.10 174.68 2jtd s SER 51 N 1.74 6.37 -0.87 3.32 0.01 -0.95 -5.03 113.70 118.30 2jtd s SER 51 Ca 0.03 0.43 -0.24 0.00 1.31 0.00 0.00 55.95 57.48 2jtd s SER 51 Cb -0.20 -2.14 0.06 0.00 0.21 0.00 0.00 66.02 63.94 2jtd s SER 51 CO 0.06 0.16 1.29 -0.31 0.41 0.00 0.00 173.24 174.86 2jtd s TYR 52 N 0.22 2.54 -0.10 2.43 2.02 -1.26 -3.39 117.35 119.81 2jtd s TYR 52 Ca 0.14 -0.60 -0.01 0.00 -0.37 0.00 0.00 57.07 56.23 2jtd s TYR 52 Cb -0.12 -4.57 -0.03 0.00 -0.40 0.00 0.00 41.96 36.84 2jtd s TYR 52 CO 0.02 -1.90 -0.06 0.42 -1.57 0.00 0.00 175.55 172.47 2jtd s ILE 53 N 4.84 3.73 -0.19 2.71 -1.09 -1.25 -3.52 121.20 126.43 2jtd s ILE 53 Ca 0.38 -0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 58.33 2jtd s ILE 53 Cb -0.05 -2.57 0.06 0.00 -1.58 0.00 0.00 42.46 38.32 2jtd s ILE 53 CO 0.01 0.56 0.02 0.12 -1.23 0.00 0.00 174.94 174.42 2jtd s PHE 54 N -0.33 1.12 -1.41 3.97 5.36 0.14 -2.98 117.98 123.85 2jtd s PHE 54 Ca 0.05 -0.88 -0.08 0.00 -0.96 0.00 0.00 56.93 55.06 2jtd s PHE 54 Cb -0.12 -1.06 0.04 0.00 -0.34 0.00 0.00 43.02 41.54 2jtd s PHE 54 CO 0.02 -0.60 0.96 -1.71 -1.46 0.00 0.00 175.22 172.43 2jtd n ASN 55 N 5.02 -4.03 0.00 6.13 2.85 -0.60 -1.19 115.26 123.45 2jtd n ASN 55 Ca -0.09 -0.72 0.00 0.00 -0.11 0.00 0.00 54.58 53.66 2jtd n ASN 55 Cb 0.47 -4.29 0.00 0.00 1.24 0.00 0.00 39.78 37.20 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 -4.61 -0.33 -4.12 1.20 1.02 -1.26 -4.98 120.64 107.55 2jtd n GLU 56 Ca -0.08 0.08 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 2jtd n GLU 56 Cb 0.58 -3.58 -0.05 0.00 -0.02 0.00 0.00 31.44 28.37 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 -0.61 2.63 0.13 3.49 -0.14 -0.34 -5.09 119.74 119.81 2jtd s LYS 57 Ca 0.00 -1.27 -0.03 0.00 -1.36 0.00 0.00 55.97 53.32 2jtd s LYS 57 Cb 0.00 -2.38 -0.05 0.00 -1.68 0.00 0.00 37.83 33.72 2jtd s LYS 57 CO 0.00 0.30 0.33 -1.21 -0.76 0.00 0.00 175.35 174.01 2jtd s GLU 58 N -3.82 3.55 0.34 1.68 2.02 -1.26 0.26 118.70 121.47 2jtd s GLU 58 Ca 0.34 -0.23 0.08 0.00 0.02 0.00 0.00 54.97 55.18 2jtd s GLU 58 Cb -0.06 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 2jtd s GLU 58 CO 0.23 0.50 0.13 0.96 0.02 0.00 0.00 175.26 177.11 2jtd s ILE 59 N -1.64 3.05 0.22 -1.63 -4.36 -1.23 -4.91 121.20 110.71 2jtd s ILE 59 Ca 0.39 -1.70 0.11 0.00 -0.26 0.00 0.00 60.65 59.18 2jtd s ILE 59 Cb -0.12 -2.97 -0.05 0.00 1.25 0.00 0.00 42.46 40.57 2jtd s ILE 59 CO 0.26 -0.19 -0.18 -0.36 0.24 0.00 0.00 174.94 174.71 2jtd s PHE 60 N -2.42 2.39 0.24 1.37 0.08 -1.26 -5.06 117.98 113.32 2jtd s PHE 60 Ca 0.37 -0.31 -0.29 0.00 0.12 0.00 0.00 56.93 56.81 2jtd s PHE 60 Cb -0.03 -1.13 -0.09 0.00 -0.57 0.00 0.00 43.02 41.20 2jtd s PHE 60 CO 0.22 0.57 0.93 -2.00 -0.10 0.00 0.00 175.22 174.85 2jtd s GLU 61 N -3.01 4.82 0.00 0.44 2.12 -1.26 -4.68 118.70 117.13 2jtd s GLU 61 Ca 0.25 1.46 0.00 0.00 0.36 0.00 0.00 54.97 57.04 2jtd s GLU 61 Cb -0.07 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 31.08 2jtd s GLU 61 CO 0.13 0.50 0.00 0.41 -0.54 0.00 0.00 175.26 175.76 2jtd n GLY 62 N 1.41 1.62 0.25 -1.50 0.00 0.08 -4.93 105.19 102.12 2jtd n GLY 62 Ca -0.02 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.01 -3.08 132.00 128.64 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 0.03 -1.12 1.17 -0.23 0.00 0.00 178.00 177.85 2jtd n LYS 64 N -3.12 1.55 -4.72 0.86 4.81 -1.26 -4.86 118.16 111.42 2jtd n LYS 64 Ca 0.01 -0.06 -0.27 0.00 -0.87 0.00 0.00 58.31 57.12 2jtd n LYS 64 Cb 0.39 -1.19 -0.17 0.00 0.02 0.00 0.00 35.03 34.08 2jtd n LYS 64 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2jtd s TYR 65 N -2.54 1.86 -0.14 5.64 2.02 -1.16 -3.74 117.35 119.28 2jtd s TYR 65 Ca -0.01 -0.76 -0.04 0.00 -0.37 0.00 0.00 57.07 55.90 2jtd s TYR 65 Cb 0.08 -1.32 0.07 0.00 -0.40 0.00 0.00 41.96 40.40 2jtd s TYR 65 CO 0.50 -0.36 0.20 0.21 -1.57 0.00 0.00 175.55 174.54 2jtd s LYS 66 N 0.66 0.12 -0.00 -0.62 2.47 -1.17 -0.74 119.74 120.45 2jtd s LYS 66 Ca -0.14 0.43 0.03 0.00 -1.56 0.00 0.00 55.97 54.73 2jtd s LYS 66 Cb -0.16 -0.67 -0.03 0.00 -1.46 0.00 0.00 37.83 35.50 2jtd s LYS 66 CO 0.04 -0.46 -0.09 -1.64 0.16 0.00 0.00 175.35 173.36 2jtd s MET 67 N 2.33 2.51 -0.14 4.03 -1.94 -1.26 -1.15 119.30 123.67 2jtd s MET 67 Ca 0.04 -0.73 -0.01 0.00 -1.71 0.00 0.00 55.69 53.28 2jtd s MET 67 Cb -0.14 -2.47 0.04 0.00 2.01 0.00 0.00 34.83 34.27 2jtd s MET 67 CO -0.09 0.60 -0.04 -1.01 -0.01 0.00 0.00 175.02 174.48 2jtd s HIS 68 N -0.95 1.39 -0.44 -0.03 3.76 -0.96 -5.02 115.29 113.03 2jtd s HIS 68 Ca 0.16 -0.82 -0.12 0.00 -0.15 0.00 0.00 55.06 54.13 2jtd s HIS 68 Cb -0.11 -1.17 0.07 0.00 1.11 0.00 0.00 32.58 32.48 2jtd s HIS 68 CO 0.06 -0.54 0.31 -1.50 -0.85 0.00 0.00 174.74 172.22 2jtd s ILE 69 N 1.74 4.63 0.13 0.60 1.10 -1.26 -3.48 121.20 124.66 2jtd s ILE 69 Ca 0.02 -1.25 -0.20 0.00 -0.51 0.00 0.00 60.65 58.72 2jtd s ILE 69 Cb -0.14 -3.79 -0.07 0.00 0.15 0.00 0.00 42.46 38.60 2jtd s ILE 69 CO -0.07 -0.52 0.64 -0.62 -2.11 0.00 0.00 174.94 172.26 2jtd s ASP 70 N 2.27 7.10 0.00 4.50 2.15 -1.26 -4.94 116.67 126.49 2jtd s ASP 70 Ca 0.03 1.35 0.00 0.00 0.43 0.00 0.00 52.55 54.37 2jtd s ASP 70 Cb -0.23 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2jtd s ASP 70 CO 0.04 0.19 0.60 0.54 -0.17 0.00 0.00 175.17 176.37 2jtd n ARG 71 N 1.38 0.67 -0.07 4.34 3.00 -1.26 -4.47 116.66 120.24 2jtd n ARG 71 Ca -0.07 -0.77 -0.21 0.00 -0.01 0.00 0.00 57.85 56.78 2jtd n ARG 71 Cb 0.50 -0.86 -0.12 0.00 0.00 0.00 0.00 32.46 31.98 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 -0.17 2.02 -0.01 0.55 3.02 -1.26 -4.75 115.26 114.66 2jtd n ASN 72 Ca 0.00 0.13 -0.01 0.00 -0.03 0.00 0.00 54.58 54.67 2jtd n ASN 72 Cb 0.19 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 38.64 2jtd n ASN 72 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2jtd n THR 73 N -3.61 0.09 0.00 3.41 -2.24 -1.26 -5.03 114.28 105.64 2jtd n THR 73 Ca -0.40 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2jtd n THR 73 Cb 0.96 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2jtd n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jtd n GLY 74 N 3.24 1.21 3.42 3.38 0.00 -1.26 -4.73 105.19 110.44 2jtd n GLY 74 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 4.93 -0.24 -0.61 -1.09 -1.26 -2.17 121.20 118.75 2jtd s ILE 75 Ca 0.00 -0.71 -0.09 0.00 -2.23 0.00 0.00 60.65 57.62 2jtd s ILE 75 Cb 0.00 -4.31 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 2jtd s ILE 75 CO 0.00 -0.84 0.11 -0.63 -1.23 0.00 0.00 174.94 172.35 2jtd s ILE 76 N 2.46 4.77 0.15 2.92 1.01 -0.94 -4.38 121.20 127.19 2jtd s ILE 76 Ca 0.12 -0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.79 2jtd s ILE 76 Cb -0.21 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 2jtd s ILE 76 CO 0.10 0.34 -0.09 -1.83 0.00 0.00 0.00 174.94 173.46 2jtd s GLU 77 N 1.32 1.06 -0.01 2.79 4.04 -1.23 0.10 118.70 126.78 2jtd s GLU 77 Ca 0.06 -1.46 -0.06 0.00 0.04 0.00 0.00 54.97 53.55 2jtd s GLU 77 Cb -0.15 -0.58 0.00 0.00 0.02 0.00 0.00 34.13 33.42 2jtd s GLU 77 CO 0.05 0.05 0.12 1.41 -1.84 0.00 0.00 175.26 175.05 2jtd s MET 78 N -3.77 0.40 -0.30 -4.83 1.75 -0.03 -2.28 119.30 110.24 2jtd s MET 78 Ca 0.17 -0.31 -0.07 0.00 -1.25 0.00 0.00 55.69 54.23 2jtd s MET 78 Cb 0.03 0.17 0.02 0.00 2.84 0.00 0.00 34.83 37.88 2jtd s MET 78 CO 0.01 -0.09 0.08 0.12 -0.65 0.00 0.00 175.02 174.49 2jtd s PHE 79 N -1.12 3.17 -0.06 4.11 5.36 -0.30 -3.10 117.98 126.03 2jtd s PHE 79 Ca -0.12 -1.09 0.04 0.00 -0.96 0.00 0.00 56.93 54.80 2jtd s PHE 79 Cb -0.07 -2.26 -0.02 0.00 -0.34 0.00 0.00 43.02 40.34 2jtd s PHE 79 CO 0.01 -0.61 -0.17 -1.64 -1.46 0.00 0.00 175.22 171.34 2jtd s MET 80 N 1.48 2.65 0.30 10.12 -1.94 -1.11 -3.02 119.30 127.78 2jtd s MET 80 Ca 0.02 -0.76 0.02 0.00 -1.71 0.00 0.00 55.69 53.26 2jtd s MET 80 Cb -0.18 -2.35 -0.01 0.00 2.01 0.00 0.00 34.83 34.31 2jtd s MET 80 CO 0.02 0.49 0.07 0.39 -0.01 0.00 0.00 175.02 175.98 2jtd n GLU 81 N 2.69 0.84 -3.24 2.03 1.02 -1.25 -1.17 120.64 121.56 2jtd n GLU 81 Ca -0.17 -2.42 -0.37 0.00 -0.02 0.00 0.00 57.16 54.18 2jtd n GLU 81 Cb 0.52 1.10 -0.06 0.00 -0.02 0.00 0.00 31.44 32.98 2jtd n GLU 81 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2jtd s LYS 82 N -3.13 4.14 0.00 3.49 -0.14 -1.25 -4.83 119.74 118.02 2jtd s LYS 82 Ca 0.10 0.69 0.00 0.00 -1.36 0.00 0.00 55.97 55.40 2jtd s LYS 82 Cb 0.00 -3.01 0.00 0.00 -1.68 0.00 0.00 37.83 33.15 2jtd s LYS 82 CO 0.07 0.50 0.00 -0.11 -0.76 0.00 0.00 175.35 175.05 2jtd n LEU 83 N 1.04 0.00 -5.02 3.17 -0.00 -1.26 -5.01 117.00 109.91 2jtd n LEU 83 Ca -0.06 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.74 2jtd n LEU 83 Cb 0.51 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 44.02 2jtd n LEU 83 CO 0.42 0.00 0.45 -1.10 -0.00 0.00 0.00 177.39 177.16 2jtd s GLN 84 N 1.01 1.97 0.62 1.96 -0.21 -1.26 -4.75 119.66 119.00 2jtd s GLN 84 Ca 0.00 -1.49 0.30 0.00 0.02 0.00 0.00 55.36 54.19 2jtd s GLN 84 Cb 0.00 -2.51 1.63 0.00 1.00 0.00 0.00 33.01 33.13 2jtd s GLN 84 CO 0.00 -1.18 1.98 0.38 -2.12 0.00 0.00 175.29 174.35 2jtd h ASP 85 N -0.16 0.00 -0.16 5.90 3.04 -1.97 0.19 116.42 123.25 2jtd h ASP 85 Ca -0.31 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.40 2jtd h ASP 85 Cb 1.28 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.57 2jtd h ASP 85 CO 0.39 0.00 -0.20 -0.08 -2.04 0.00 0.00 179.24 177.31 2jtd h GLU 86 N 0.00 0.42 0.00 4.15 4.81 -1.99 -3.33 114.58 118.64 2jtd h GLU 86 Ca 0.09 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 58.99 2jtd h GLU 86 Cb 0.76 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2jtd h GLU 86 CO -0.00 0.82 -1.73 -0.25 -0.73 0.00 0.00 179.01 177.11 2jtd n ASP 87 N -4.48 0.35 -4.60 1.04 8.00 -0.44 -4.78 116.55 111.65 2jtd n ASP 87 Ca -0.06 0.14 -0.42 0.00 0.71 0.00 0.00 54.79 55.16 2jtd n ASP 87 Cb 0.41 1.15 -0.05 0.00 -0.02 0.00 0.00 41.12 42.61 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 -3.21 3.84 0.00 -1.24 2.56 0.52 -4.91 118.70 116.26 2jtd s GLU 88 Ca -0.06 0.45 0.00 0.00 0.00 0.00 0.00 54.97 55.36 2jtd s GLU 88 Cb 0.11 -3.78 0.00 0.00 2.00 0.00 0.00 34.13 32.46 2jtd s GLU 88 CO 0.85 -0.81 0.00 0.41 -0.56 0.00 0.00 175.26 175.16 2jtd n GLY 89 N 4.39 2.98 3.53 -1.50 0.00 -0.90 -4.59 105.19 109.11 2jtd n GLY 89 Ca 0.04 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 0.67 4.44 -0.29 2.61 2.01 -1.26 -0.25 115.64 123.57 2jtd s THR 90 Ca 0.00 0.41 -0.26 0.00 0.31 0.00 0.00 61.69 62.15 2jtd s THR 90 Cb 0.00 -4.49 0.01 0.00 0.01 0.00 0.00 72.50 68.03 2jtd s THR 90 CO 0.00 -1.00 0.93 -0.31 -0.69 0.00 0.00 174.62 173.55 2jtd s TYR 91 N 3.82 3.22 -0.26 4.92 1.51 0.30 -1.55 117.35 129.31 2jtd s TYR 91 Ca 0.32 1.08 -0.02 0.00 -1.01 0.00 0.00 57.07 57.44 2jtd s TYR 91 Cb -0.12 -3.37 0.11 0.00 -0.11 0.00 0.00 41.96 38.48 2jtd s TYR 91 CO 0.21 -0.60 0.23 0.99 -1.11 0.00 0.00 175.55 175.28 2jtd s THR 92 N 3.22 -0.30 0.04 -0.71 2.01 -1.16 0.07 115.64 118.81 2jtd s THR 92 Ca 0.39 -0.43 -0.07 0.00 0.31 0.00 0.00 61.69 61.89 2jtd s THR 92 Cb -0.14 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 2jtd s THR 92 CO 0.12 -0.45 0.31 -0.36 -0.69 0.00 0.00 174.62 173.55 2jtd s PHE 93 N 2.29 3.57 -0.12 4.92 0.40 -1.07 -3.83 117.98 124.14 2jtd s PHE 93 Ca 0.08 0.61 -0.00 0.00 -0.60 0.00 0.00 56.93 57.02 2jtd s PHE 93 Cb -0.15 -2.03 0.03 0.00 0.51 0.00 0.00 43.02 41.38 2jtd s PHE 93 CO -0.27 0.57 -0.09 -1.14 0.70 0.00 0.00 175.22 174.99 2jtd s GLN 94 N -1.91 1.64 -0.05 0.44 0.74 -1.22 -1.73 119.66 117.58 2jtd s GLN 94 Ca 0.30 -0.31 0.06 0.00 0.05 0.00 0.00 55.36 55.47 2jtd s GLN 94 Cb -0.13 -1.68 -0.01 0.00 1.10 0.00 0.00 33.01 32.28 2jtd s GLN 94 CO 0.18 -0.27 -0.24 0.42 -0.55 0.00 0.00 175.29 174.83 2jtd s ILE 95 N 1.67 1.99 -0.42 -2.34 1.01 0.38 -2.24 121.20 121.25 2jtd s ILE 95 Ca 0.05 -1.04 -0.17 0.00 0.00 0.00 0.00 60.65 59.49 2jtd s ILE 95 Cb -0.13 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.69 2jtd s ILE 95 CO -0.09 0.56 0.41 -1.58 0.00 0.00 0.00 174.94 174.23 2jtd s GLN 96 N -0.24 3.06 0.35 2.79 0.74 -1.09 -0.23 119.66 125.05 2jtd s GLN 96 Ca -0.01 -0.86 0.08 0.00 0.05 0.00 0.00 55.36 54.62 2jtd s GLN 96 Cb -0.13 -3.98 -0.03 0.00 1.10 0.00 0.00 33.01 29.97 2jtd s GLN 96 CO 0.03 -0.84 0.23 0.34 -0.55 0.00 0.00 175.29 174.49 2jtd s ASP 97 N 1.83 4.93 0.51 6.67 2.15 -0.98 -3.86 116.67 127.92 2jtd s ASP 97 Ca 0.10 -0.69 0.31 0.00 0.43 0.00 0.00 52.55 52.70 2jtd s ASP 97 Cb -0.18 -0.78 1.13 0.00 -0.30 0.00 0.00 42.92 42.80 2jtd s ASP 97 CO 0.12 -0.38 1.89 1.23 -0.17 0.00 0.00 175.17 177.86 2jtd h GLY 98 N 1.36 0.00 0.00 2.66 0.00 -1.97 -3.37 103.07 101.75 2jtd h GLY 98 Ca -0.44 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 2jtd h GLY 98 CO 0.61 0.00 -0.94 0.28 0.00 0.00 0.00 176.54 176.49 2jtd n LYS 99 N -3.03 0.25 -4.29 4.80 4.76 -1.26 -5.08 118.16 114.31 2jtd n LYS 99 Ca 0.01 0.10 -0.25 0.00 -2.87 0.00 0.00 58.31 55.31 2jtd n LYS 99 Cb 0.35 -0.93 -0.08 0.00 -1.84 0.00 0.00 35.03 32.53 2jtd n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jtd s ALA 100 N -2.34 3.05 -0.37 7.82 0.00 -1.26 -5.09 121.76 123.57 2jtd s ALA 100 Ca -0.15 -1.56 -0.15 0.00 0.00 0.00 0.00 51.96 50.11 2jtd s ALA 100 Cb 0.04 -0.76 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 2jtd s ALA 100 CO 0.20 0.38 0.33 0.95 0.00 0.00 0.00 175.76 177.62 2jtd s THR 101 N -2.01 5.20 -1.20 0.00 -4.23 -1.26 -2.31 115.64 109.84 2jtd s THR 101 Ca 0.28 -0.23 -0.19 0.00 -1.18 0.00 0.00 61.69 60.36 2jtd s THR 101 Cb -0.08 -3.85 0.07 0.00 1.34 0.00 0.00 72.50 69.98 2jtd s THR 101 CO 0.17 -0.17 1.62 -0.83 -0.54 0.00 0.00 174.62 174.87 2jtd s GLY 102 N 1.73 1.55 -0.15 3.99 0.00 0.68 -4.89 107.32 110.24 2jtd s GLY 102 Ca 0.09 -2.72 -0.07 0.00 0.00 0.00 0.00 44.72 42.02 2jtd s GLY 102 CO 0.11 2.67 0.08 -2.38 0.00 0.00 0.00 173.10 173.59 2jtd s HIS 103 N 4.33 3.35 -0.31 1.90 -3.43 -1.25 -0.47 115.29 119.42 2jtd s HIS 103 Ca 0.50 0.26 -0.00 0.00 -0.80 0.00 0.00 55.06 55.02 2jtd s HIS 103 Cb 0.02 -1.99 0.10 0.00 -1.43 0.00 0.00 32.58 29.28 2jtd s HIS 103 CO 0.01 0.40 0.09 0.45 -2.00 0.00 0.00 174.74 173.69 2jtd s SER 104 N -0.27 4.10 -0.29 7.38 0.15 -0.70 -4.96 113.70 119.10 2jtd s SER 104 Ca 0.09 -1.68 -0.11 0.00 0.70 0.00 0.00 55.95 54.96 2jtd s SER 104 Cb -0.12 -0.96 -0.03 0.00 -1.71 0.00 0.00 66.02 63.20 2jtd s SER 104 CO 0.01 -0.40 0.18 -0.89 1.20 0.00 0.00 173.24 173.34 2jtd s THR 105 N 1.53 5.03 -0.19 6.45 2.01 -1.25 -2.58 115.64 126.63 2jtd s THR 105 Ca 0.09 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.98 2jtd s THR 105 Cb -0.17 -3.46 0.09 0.00 0.01 0.00 0.00 72.50 68.96 2jtd s THR 105 CO -0.22 0.17 0.23 -0.22 -0.69 0.00 0.00 174.62 173.89 2jtd s LEU 106 N 1.70 -0.15 -0.21 4.42 1.98 0.11 -5.00 118.68 121.53 2jtd s LEU 106 Ca 0.06 -0.11 -0.14 0.00 -2.89 0.00 0.00 54.13 51.06 2jtd s LEU 106 Cb -0.16 0.44 -0.04 0.00 0.66 0.00 0.00 46.19 47.08 2jtd s LEU 106 CO 0.09 -0.31 0.30 0.54 -1.89 0.00 0.00 176.35 175.08 2jtd s VAL 107 N 2.34 5.27 -0.31 1.68 0.11 -1.26 -0.54 120.40 127.68 2jtd s VAL 107 Ca 0.07 0.50 0.04 0.00 -2.93 0.00 0.00 61.98 59.65 2jtd s VAL 107 Cb -0.15 -3.64 0.09 0.00 -1.53 0.00 0.00 36.38 31.15 2jtd s VAL 107 CO -0.12 0.29 -0.00 -0.76 -3.33 0.00 0.00 175.10 171.19 2jtd s LEU 108 N 1.16 4.30 -0.10 2.54 1.43 0.66 -4.52 118.68 124.15 2jtd s LEU 108 Ca 0.15 -1.90 -0.04 0.00 -1.03 0.00 0.00 54.13 51.30 2jtd s LEU 108 Cb -0.14 -1.59 0.05 0.00 0.03 0.00 0.00 46.19 44.54 2jtd s LEU 108 CO 0.06 -0.32 0.22 -0.63 0.23 0.00 0.00 176.35 175.91 2jtd s ILE 109 N 0.98 -0.15 0.00 -0.59 1.01 -1.26 -2.12 121.20 119.07 2jtd s ILE 109 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2jtd s ILE 109 Cb -0.19 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 41.92 2jtd s ILE 109 CO -0.07 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.56 2jtd n GLY 110 N 4.59 2.71 0.22 6.18 0.00 -1.26 -0.00 105.19 117.63 2jtd n GLY 110 Ca -0.19 0.32 0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.13 1.61 3.58 -2.01 -3.17 116.42 116.30 2jtd h ASP 111 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2jtd h ASP 111 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2jtd h ASP 111 CO 0.00 0.20 0.06 0.58 -2.88 0.00 0.00 179.24 177.19 2jtd h VAL 112 N 0.00 1.14 0.00 2.25 2.07 -0.80 -2.96 116.25 117.96 2jtd h VAL 112 Ca -0.00 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 2jtd h VAL 112 Cb 0.78 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2jtd h VAL 112 CO 0.03 0.13 -0.15 0.10 0.02 0.00 0.00 177.57 177.70 2jtd h TYR 113 N 0.07 0.00 0.00 1.57 -0.00 -1.51 -2.32 116.97 114.78 2jtd h TYR 113 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.71 2jtd h TYR 113 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.88 2jtd h TYR 113 CO -0.02 0.15 -0.30 1.57 -0.00 0.00 0.00 178.16 179.56 2jtd h LYS 114 N 0.00 0.00 -0.53 0.10 5.09 -1.59 -0.08 116.57 119.55 2jtd h LYS 114 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.64 2jtd h LYS 114 Cb 0.58 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.89 2jtd h LYS 114 CO 0.02 0.30 -0.06 -0.22 -2.09 0.00 0.00 179.45 177.40 2jtd h LYS 115 N 0.00 0.97 -0.18 0.07 3.64 -1.39 0.89 116.57 120.57 2jtd h LYS 115 Ca -0.00 -0.34 -0.09 0.00 -1.27 0.00 0.00 60.65 58.94 2jtd h LYS 115 Cb 0.80 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2jtd h LYS 115 CO 0.04 1.01 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.91 2jtd h LEU 116 N 0.85 0.53 -1.04 5.20 -0.00 -1.47 -3.15 115.31 116.23 2jtd h LEU 116 Ca 0.14 -0.51 -0.07 0.00 -0.00 0.00 0.00 57.88 57.44 2jtd h LEU 116 Cb 0.61 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 41.10 2jtd h LEU 116 CO 0.04 0.94 -0.09 1.56 -0.00 0.00 0.00 178.44 180.88 2jtd h GLN 117 N 0.14 0.58 -0.52 1.13 4.20 -0.92 -0.01 115.11 119.71 2jtd h GLN 117 Ca 0.02 -0.17 0.02 0.00 0.06 0.00 0.00 58.65 58.58 2jtd h GLN 117 Cb 0.81 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 2jtd h GLN 117 CO 0.06 0.67 0.32 -0.22 -0.67 0.00 0.00 178.83 178.99 2jtd h LYS 118 N 0.54 0.63 0.00 1.46 3.11 -0.84 -1.60 116.57 119.87 2jtd h LYS 118 Ca 0.10 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 2jtd h LYS 118 Cb 0.49 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 2jtd h LYS 118 CO 0.03 0.42 -0.24 0.93 -2.81 0.00 0.00 179.45 177.77 2jtd h GLU 119 N 0.65 0.00 0.14 1.90 4.39 -1.44 -3.35 114.58 116.87 2jtd h GLU 119 Ca 0.20 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 2jtd h GLU 119 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2jtd h GLU 119 CO -0.07 0.00 -0.07 0.00 -1.16 0.00 0.00 179.01 177.71 2jtd h ALA 120 N 2.50 -0.19 -4.14 3.43 0.00 -0.30 -3.46 119.26 117.10 2jtd h ALA 120 Ca 0.00 -0.15 -0.59 0.00 0.00 0.00 0.00 54.91 54.16 2jtd h ALA 120 Cb 0.75 0.07 -0.30 0.00 0.00 0.00 0.00 17.79 18.31 2jtd h ALA 120 CO 0.00 -0.20 -0.85 -1.21 0.00 0.00 0.00 179.25 176.99 2jtd s GLU 121 N -2.55 1.81 0.00 0.00 2.02 -0.67 -5.02 118.70 114.29 2jtd s GLU 121 Ca -0.08 -0.69 0.07 0.00 0.02 0.00 0.00 54.97 54.29 2jtd s GLU 121 Cb -0.00 -1.63 0.05 0.00 0.10 0.00 0.00 34.13 32.65 2jtd s GLU 121 CO 0.27 0.34 0.71 1.19 0.02 0.00 0.00 175.26 177.80