#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 3.71 -0.41 3.49 2.02 -1.26 -5.06 118.70 121.19 2jtd s GLU 2 Ca 0.00 -0.46 -0.21 0.00 0.02 0.00 0.00 54.97 54.33 2jtd s GLU 2 Cb 0.00 -3.48 0.02 0.00 0.10 0.00 0.00 34.13 30.77 2jtd s GLU 2 CO 0.00 -0.22 0.64 -2.00 0.02 0.00 0.00 175.26 173.71 2jtd s GLU 3 N 1.67 3.42 0.13 1.61 -6.30 -1.26 -4.95 118.70 113.02 2jtd s GLU 3 Ca 0.06 -0.22 -0.12 0.00 -2.50 0.00 0.00 54.97 52.20 2jtd s GLU 3 Cb -0.16 -3.90 -0.04 0.00 0.00 0.00 0.00 34.13 30.03 2jtd s GLU 3 CO 0.07 -0.92 1.48 1.98 0.02 0.00 0.00 175.26 177.89 2jtd h MET 4 N 8.74 0.88 0.00 4.30 1.85 -2.02 -2.86 114.93 125.81 2jtd h MET 4 Ca -0.26 -0.44 -0.11 0.00 -0.61 0.00 0.00 59.70 58.29 2jtd h MET 4 Cb 1.10 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.12 2jtd h MET 4 CO 0.87 1.08 -0.50 0.87 -0.40 0.00 0.00 176.91 178.83 2jtd h LYS 5 N 0.68 0.00 -0.49 0.39 6.56 -2.01 -2.98 116.57 118.72 2jtd h LYS 5 Ca 0.07 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.72 2jtd h LYS 5 Cb 0.89 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.52 2jtd h LYS 5 CO 0.08 0.50 0.33 -0.09 -2.06 0.00 0.00 179.45 178.21 2jtd h ARG 6 N 0.00 0.43 0.00 3.15 9.65 -1.92 -0.08 114.38 125.61 2jtd h ARG 6 Ca -0.01 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.80 2jtd h ARG 6 Cb 0.96 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.43 2jtd h ARG 6 CO 0.07 0.28 -0.25 -0.07 2.80 0.00 0.00 179.97 182.80 2jtd h LEU 7 N 0.44 0.00 0.00 3.80 3.38 -1.53 0.81 115.31 122.21 2jtd h LEU 7 Ca 0.21 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.01 2jtd h LEU 7 Cb 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2jtd h LEU 7 CO -0.05 0.25 -1.48 0.18 0.09 0.00 0.00 178.44 177.42 2jtd n LEU 8 N -3.86 0.78 -0.07 1.67 4.32 -0.17 -4.43 117.00 115.24 2jtd n LEU 8 Ca -0.02 0.34 -0.09 0.00 -0.02 0.00 0.00 56.01 56.23 2jtd n LEU 8 Cb 0.34 0.09 -0.07 0.00 -1.62 0.00 0.00 43.42 42.16 2jtd n LEU 8 CO 0.35 0.15 0.07 0.00 -1.22 0.00 0.00 177.39 176.73 2jtd h ALA 9 N 1.44 0.03 -2.11 -1.18 0.00 -0.80 -3.44 119.26 113.19 2jtd h ALA 9 Ca -0.17 -0.41 -0.56 0.00 0.00 0.00 0.00 54.91 53.77 2jtd h ALA 9 Cb 1.58 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 2jtd h ALA 9 CO 0.04 0.14 1.18 -1.17 0.00 0.00 0.00 179.25 179.44 2jtd s LEU 10 N -8.30 3.98 0.00 0.00 0.20 0.24 -4.95 118.68 109.87 2jtd s LEU 10 Ca -0.13 1.91 0.01 0.00 0.69 0.00 0.00 54.13 56.61 2jtd s LEU 10 Cb -0.00 -3.53 0.01 0.00 -0.43 0.00 0.00 46.19 42.24 2jtd s LEU 10 CO 0.38 -1.27 0.09 -1.20 -0.29 0.00 0.00 176.35 174.07 2jtd n SER 11 N 8.53 1.45 -4.69 3.68 7.64 -1.26 -4.84 113.62 124.13 2jtd n SER 11 Ca 0.20 -1.46 -0.42 0.00 1.01 0.00 0.00 58.87 58.20 2jtd n SER 11 Cb 0.44 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.61 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 -2.54 4.31 -0.22 1.43 -1.52 -1.26 -4.93 119.66 114.93 2jtd s GLN 12 Ca 0.07 1.85 -0.31 0.00 -1.95 0.00 0.00 55.36 55.02 2jtd s GLN 12 Cb -0.01 -3.57 -0.08 0.00 -0.22 0.00 0.00 33.01 29.13 2jtd s GLN 12 CO 0.05 -0.53 2.14 0.39 -0.25 0.00 0.00 175.29 177.09 2jtd n GLU 13 N 5.32 1.81 -3.54 2.91 1.02 -1.26 -4.93 120.64 121.98 2jtd n GLU 13 Ca 0.12 0.55 -0.24 0.00 -0.02 0.00 0.00 57.16 57.57 2jtd n GLU 13 Cb 0.45 -2.91 -0.15 0.00 -0.02 0.00 0.00 31.44 28.81 2jtd n GLU 13 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jtd s HIS 14 N 7.10 0.03 0.08 -0.32 2.46 -1.26 -5.12 115.29 118.26 2jtd s HIS 14 Ca 1.01 -0.32 -0.30 0.00 0.47 0.00 0.00 55.06 55.92 2jtd s HIS 14 Cb -0.55 -0.64 -0.06 0.00 -0.13 0.00 0.00 32.58 31.21 2jtd s HIS 14 CO 0.42 -0.67 1.16 0.15 -2.47 0.00 0.00 174.74 173.33 2jtd s LYS 15 N 2.20 4.48 -0.20 2.88 3.01 -1.26 -4.98 119.74 125.86 2jtd s LYS 15 Ca 0.06 1.73 -0.16 0.00 -1.01 0.00 0.00 55.97 56.60 2jtd s LYS 15 Cb -0.16 -3.34 -0.10 0.00 -1.01 0.00 0.00 37.83 33.22 2jtd s LYS 15 CO -0.20 -0.17 -0.15 1.19 0.51 0.00 0.00 175.35 176.53 2jtd n PHE 16 N 3.57 0.53 -0.75 3.18 3.72 -1.26 -5.02 117.46 121.43 2jtd n PHE 16 Ca 0.07 0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 2jtd n PHE 16 Cb 0.47 -0.87 0.00 0.00 -0.94 0.00 0.00 39.48 38.14 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 -4.44 2.18 -4.37 -1.08 -0.04 -1.26 -5.10 135.00 120.89 2jtd n PRO 17 Ca -0.28 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 62.92 2jtd n PRO 17 Cb 0.59 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.89 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 0.93 1.25 -0.14 0.52 2.01 -1.26 -5.13 115.64 113.82 2jtd s THR 18 Ca 0.00 -0.50 -0.14 0.00 0.31 0.00 0.00 61.69 61.36 2jtd s THR 18 Cb 0.00 -1.17 0.04 0.00 0.01 0.00 0.00 72.50 71.38 2jtd s THR 18 CO 0.00 0.39 0.40 0.54 -0.69 0.00 0.00 174.62 175.26 2jtd s VAL 19 N 1.04 0.00 -0.59 3.82 0.11 -1.26 -5.06 120.40 118.47 2jtd s VAL 19 Ca -0.07 -0.03 -0.18 0.00 -2.93 0.00 0.00 61.98 58.77 2jtd s VAL 19 Cb -0.15 -0.57 -0.16 0.00 -1.53 0.00 0.00 36.38 33.98 2jtd s VAL 19 CO -0.01 -0.02 1.82 -0.81 -3.33 0.00 0.00 175.10 172.74 2jtd n PRO 20 N 2.72 1.22 -3.05 1.54 -0.04 -1.26 -4.71 135.00 131.43 2jtd n PRO 20 Ca -0.14 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.85 2jtd n PRO 20 Cb 0.57 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 2jtd n PRO 20 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2jtd n THR 21 N 5.67 0.00 -1.05 0.52 5.66 -1.26 -4.46 114.28 119.36 2jtd n THR 21 Ca 0.43 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.52 2jtd n THR 21 Cb 0.30 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.29 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 -0.05 2.10 -3.38 1.09 4.76 -1.26 -4.96 118.16 116.47 2jtd n LYS 22 Ca 0.00 -2.73 -0.43 0.00 -2.87 0.00 0.00 58.31 52.28 2jtd n LYS 22 Cb 0.00 -1.68 -0.09 0.00 -1.84 0.00 0.00 35.03 31.42 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 -2.41 6.16 -0.12 4.39 0.15 -1.24 -3.85 113.70 116.77 2jtd s SER 23 Ca 0.37 -0.83 -0.01 0.00 0.70 0.00 0.00 55.95 56.19 2jtd s SER 23 Cb 0.31 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 62.41 2jtd s SER 23 CO 0.06 -0.54 -0.10 -0.70 1.20 0.00 0.00 173.24 173.16 2jtd s GLU 24 N 1.92 3.31 -0.39 5.44 2.56 0.43 -4.95 118.70 127.02 2jtd s GLU 24 Ca 0.09 -0.62 -0.09 0.00 0.00 0.00 0.00 54.97 54.34 2jtd s GLU 24 Cb -0.19 -2.68 0.05 0.00 2.00 0.00 0.00 34.13 33.32 2jtd s GLU 24 CO 0.11 0.32 0.20 -1.17 -0.56 0.00 0.00 175.26 174.17 2jtd s LEU 25 N 0.11 4.81 -0.37 2.70 1.98 -1.26 -0.03 118.68 126.62 2jtd s LEU 25 Ca -0.04 -1.25 -0.06 0.00 -2.89 0.00 0.00 54.13 49.88 2jtd s LEU 25 Cb -0.14 -1.97 0.06 0.00 0.66 0.00 0.00 46.19 44.80 2jtd s LEU 25 CO 0.04 -0.44 0.15 0.00 -1.89 0.00 0.00 176.35 174.21 2jtd s ALA 26 N 1.46 3.11 -0.24 5.97 0.00 -0.93 -5.03 121.76 126.10 2jtd s ALA 26 Ca 0.02 -1.96 -0.13 0.00 0.00 0.00 0.00 51.96 49.88 2jtd s ALA 26 Cb -0.21 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 2jtd s ALA 26 CO 0.04 -1.48 0.29 0.54 0.00 0.00 0.00 175.76 175.15 2jtd s VAL 27 N 1.36 5.26 -0.23 0.00 0.11 -1.26 -2.31 120.40 123.33 2jtd s VAL 27 Ca 0.01 0.44 -0.05 0.00 -2.93 0.00 0.00 61.98 59.45 2jtd s VAL 27 Cb -0.21 -3.62 -0.02 0.00 -1.53 0.00 0.00 36.38 31.00 2jtd s VAL 27 CO 0.01 0.26 0.00 -1.61 -3.33 0.00 0.00 175.10 170.44 2jtd s GLU 28 N 1.44 3.52 -0.28 1.54 0.41 0.92 -5.00 118.70 121.24 2jtd s GLU 28 Ca 0.13 -0.56 -0.05 0.00 -0.41 0.00 0.00 54.97 54.09 2jtd s GLU 28 Cb -0.15 -3.13 0.02 0.00 -1.78 0.00 0.00 34.13 29.09 2jtd s GLU 28 CO 0.08 -0.16 0.03 0.42 -0.49 0.00 0.00 175.26 175.13 2jtd s ILE 29 N 1.45 3.50 0.15 -1.63 1.01 -1.26 -0.29 121.20 124.12 2jtd s ILE 29 Ca 0.05 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.82 2jtd s ILE 29 Cb -0.15 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2jtd s ILE 29 CO 0.00 0.08 0.30 -0.76 0.00 0.00 0.00 174.94 174.56 2jtd s LEU 30 N 1.41 4.32 0.00 2.97 2.01 -0.68 -4.57 118.68 124.15 2jtd s LEU 30 Ca 0.01 0.22 0.23 0.00 0.01 0.00 0.00 54.13 54.60 2jtd s LEU 30 Cb -0.17 -2.96 1.39 0.00 0.01 0.00 0.00 46.19 44.46 2jtd s LEU 30 CO -0.00 0.05 1.88 -1.84 1.01 0.00 0.00 176.35 177.44 2jtd n GLU 31 N -0.50 0.97 -0.11 1.70 0.00 -1.26 -2.70 120.64 118.75 2jtd n GLU 31 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.21 2jtd n GLU 31 Cb 0.54 -1.37 0.28 0.00 0.00 0.00 0.00 31.44 30.88 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 -0.87 2.15 -0.69 3.44 5.02 -1.26 -4.88 118.16 121.07 2jtd n LYS 32 Ca 0.17 -1.71 0.00 0.00 -2.02 0.00 0.00 58.31 54.75 2jtd n LYS 32 Cb 0.08 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 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 1.33 0.81 3.56 0.72 0.00 -1.10 -4.94 105.19 105.57 2jtd n GLY 33 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.31 3.25 -0.39 1.61 -1.52 -1.25 -4.66 119.66 116.39 2jtd s GLN 34 Ca 0.00 0.12 -0.19 0.00 -1.95 0.00 0.00 55.36 53.34 2jtd s GLN 34 Cb 0.00 -4.14 0.01 0.00 -0.22 0.00 0.00 33.01 28.66 2jtd s GLN 34 CO 0.00 -2.03 0.54 0.54 -0.25 0.00 0.00 175.29 174.09 2jtd s VAL 35 N 5.91 4.97 -0.39 1.09 0.11 -1.23 -1.68 120.40 129.17 2jtd s VAL 35 Ca 0.44 0.12 -0.13 0.00 -2.93 0.00 0.00 61.98 59.48 2jtd s VAL 35 Cb -0.09 -4.06 0.02 0.00 -1.53 0.00 0.00 36.38 30.72 2jtd s VAL 35 CO 0.20 -0.39 0.25 -0.60 -3.33 0.00 0.00 175.10 171.24 2jtd s ARG 36 N 2.49 2.98 -0.20 1.54 3.52 0.60 -2.95 118.95 126.91 2jtd s ARG 36 Ca 0.19 -1.00 -0.06 0.00 -0.13 0.00 0.00 55.73 54.73 2jtd s ARG 36 Cb -0.15 -3.86 -0.03 0.00 -1.56 0.00 0.00 34.95 29.35 2jtd s ARG 36 CO 0.15 -0.69 0.03 0.12 -0.81 0.00 0.00 175.30 174.10 2jtd s PHE 37 N 1.63 3.10 -0.17 5.12 5.36 0.56 -0.06 117.98 133.53 2jtd s PHE 37 Ca 0.04 -0.28 -0.06 0.00 -0.96 0.00 0.00 56.93 55.66 2jtd s PHE 37 Cb -0.19 -2.11 0.08 0.00 -0.34 0.00 0.00 43.02 40.46 2jtd s PHE 37 CO 0.09 -0.15 0.36 1.67 -1.46 0.00 0.00 175.22 175.73 2jtd s TRP 38 N 0.94 -0.64 -0.04 10.12 1.48 -0.98 -0.14 118.94 129.69 2jtd s TRP 38 Ca 0.02 1.29 0.04 0.00 -1.06 0.00 0.00 56.10 56.39 2jtd s TRP 38 Cb -0.14 0.17 -0.03 0.00 -1.16 0.00 0.00 33.47 32.31 2jtd s TRP 38 CO 0.02 -0.42 -0.14 0.00 -4.06 0.00 0.00 176.95 172.35 2jtd s MET 39 N 2.43 2.49 -0.41 3.25 0.23 0.02 -2.19 119.30 125.11 2jtd s MET 39 Ca -0.01 -0.71 -0.16 0.00 -1.03 0.00 0.00 55.69 53.78 2jtd s MET 39 Cb -0.12 -2.38 0.02 0.00 -1.53 0.00 0.00 34.83 30.82 2jtd s MET 39 CO -0.11 0.62 0.38 -0.65 -2.03 0.00 0.00 175.02 173.23 2jtd s GLN 40 N -0.80 3.06 0.17 3.16 1.11 0.95 -3.29 119.66 124.03 2jtd s GLN 40 Ca 0.12 -0.85 0.07 0.00 0.01 0.00 0.00 55.36 54.71 2jtd s GLN 40 Cb -0.11 -3.97 -0.04 0.00 -1.01 0.00 0.00 33.01 27.89 2jtd s GLN 40 CO 0.01 -0.80 0.02 0.00 0.01 0.00 0.00 175.29 174.52 2jtd s ALA 41 N 1.96 3.25 -0.05 6.09 0.00 -1.24 -0.43 121.76 131.34 2jtd s ALA 41 Ca 0.09 -1.34 -0.27 0.00 0.00 0.00 0.00 51.96 50.44 2jtd s ALA 41 Cb -0.18 -1.04 -0.22 0.00 0.00 0.00 0.00 23.12 21.68 2jtd s ALA 41 CO 0.12 0.49 1.13 1.05 0.00 0.00 0.00 175.76 178.55 2jtd h GLU 42 N 2.68 0.00 -4.81 0.00 4.11 -1.82 -3.45 114.58 111.30 2jtd h GLU 42 Ca -0.47 -0.00 -0.39 0.00 0.07 0.00 0.00 59.36 58.56 2jtd h GLU 42 Cb 1.20 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.31 2jtd h GLU 42 CO 0.59 0.63 -0.54 0.15 0.07 0.00 0.00 179.01 179.90 2jtd s LYS 43 N -3.70 1.56 0.00 1.06 3.01 -1.26 -4.83 119.74 115.58 2jtd s LYS 43 Ca -0.17 -1.89 0.14 0.00 -1.01 0.00 0.00 55.97 53.04 2jtd s LYS 43 Cb 0.00 0.22 0.09 0.00 -1.01 0.00 0.00 37.83 37.13 2jtd s LYS 43 CO 0.68 -0.54 0.89 1.47 0.51 0.00 0.00 175.35 178.37 2jtd n LEU 44 N -0.51 1.99 -4.46 3.17 -0.00 -1.26 -4.83 117.00 111.10 2jtd n LEU 44 Ca 0.05 -0.95 -0.43 0.00 -0.00 0.00 0.00 56.01 54.68 2jtd n LEU 44 Cb 0.64 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.96 2jtd n LEU 44 CO 0.33 0.37 -0.08 -0.44 -0.00 0.00 0.00 177.39 177.57 2jtd s SER 45 N -1.24 6.08 -0.17 1.45 0.01 -1.26 -5.01 113.70 113.56 2jtd s SER 45 Ca 0.15 -0.87 -0.31 0.00 1.31 0.00 0.00 55.95 56.23 2jtd s SER 45 Cb 0.11 -2.15 0.14 0.00 0.21 0.00 0.00 66.02 64.33 2jtd s SER 45 CO 0.20 -0.43 1.08 -0.55 0.41 0.00 0.00 173.24 173.95 2jtd s SER 46 N 1.67 -0.27 -1.37 2.44 0.15 -1.26 -5.05 113.70 110.01 2jtd s SER 46 Ca 0.05 0.22 -0.14 0.00 0.70 0.00 0.00 55.95 56.77 2jtd s SER 46 Cb -0.19 0.24 0.08 0.00 -1.71 0.00 0.00 66.02 64.44 2jtd s SER 46 CO 0.10 -0.31 2.00 0.59 1.20 0.00 0.00 173.24 176.82 2jtd n ASN 47 N 0.42 4.44 -3.80 5.45 4.13 -1.26 -4.87 115.26 119.77 2jtd n ASN 47 Ca -0.06 -2.92 -0.11 0.00 1.68 0.00 0.00 54.58 53.16 2jtd n ASN 47 Cb 0.59 -1.64 -0.08 0.00 -1.54 0.00 0.00 39.78 37.11 2jtd n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jtd s ALA 48 N 2.75 -0.54 -0.05 5.41 0.00 -1.26 -5.00 121.76 123.07 2jtd s ALA 48 Ca 0.47 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.40 2jtd s ALA 48 Cb 0.10 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 2jtd s ALA 48 CO -0.03 -0.36 -0.21 0.15 0.00 0.00 0.00 175.76 175.31 2jtd s LYS 49 N -2.33 2.49 -0.28 0.00 1.02 -1.26 -5.06 119.74 114.33 2jtd s LYS 49 Ca -0.07 -0.84 -0.09 0.00 0.02 0.00 0.00 55.97 54.99 2jtd s LYS 49 Cb -0.02 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 2jtd s LYS 49 CO -0.02 0.48 0.14 0.54 -0.92 0.00 0.00 175.35 175.56 2jtd s VAL 50 N -0.39 4.78 -0.52 3.17 0.11 -1.26 -3.79 120.40 122.49 2jtd s VAL 50 Ca 0.03 -0.10 -0.20 0.00 -2.93 0.00 0.00 61.98 58.79 2jtd s VAL 50 Cb -0.12 -3.30 0.06 0.00 -1.53 0.00 0.00 36.38 31.49 2jtd s VAL 50 CO 0.02 0.24 0.67 -0.44 -3.33 0.00 0.00 175.10 172.26 2jtd s SER 51 N 1.67 6.23 -1.19 3.54 0.01 -1.07 -4.97 113.70 117.92 2jtd s SER 51 Ca 0.06 -0.92 -0.20 0.00 1.31 0.00 0.00 55.95 56.20 2jtd s SER 51 Cb -0.16 -2.31 0.07 0.00 0.21 0.00 0.00 66.02 63.83 2jtd s SER 51 CO 0.07 -0.96 1.62 -0.31 0.41 0.00 0.00 173.24 174.07 2jtd s TYR 52 N 2.80 2.71 -0.28 2.43 2.02 -1.26 -3.30 117.35 122.46 2jtd s TYR 52 Ca 0.16 -1.35 -0.10 0.00 -0.37 0.00 0.00 57.07 55.41 2jtd s TYR 52 Cb -0.19 -4.72 -0.04 0.00 -0.40 0.00 0.00 41.96 36.61 2jtd s TYR 52 CO 0.12 -1.84 0.16 0.42 -1.57 0.00 0.00 175.55 172.84 2jtd s ILE 53 N 4.42 5.03 -0.13 2.71 -1.09 -1.25 -1.50 121.20 129.39 2jtd s ILE 53 Ca 0.51 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.96 2jtd s ILE 53 Cb 0.02 -3.41 0.02 0.00 -1.58 0.00 0.00 42.46 37.52 2jtd s ILE 53 CO 0.01 0.25 -0.11 0.12 -1.23 0.00 0.00 174.94 173.97 2jtd s PHE 54 N 1.71 1.85 -1.44 3.97 5.36 0.11 -1.66 117.98 127.89 2jtd s PHE 54 Ca 0.07 -0.98 -0.00 0.00 -0.96 0.00 0.00 56.93 55.05 2jtd s PHE 54 Cb -0.16 -1.42 0.00 0.00 -0.34 0.00 0.00 43.02 41.10 2jtd s PHE 54 CO 0.09 -0.58 0.04 -1.71 -1.46 0.00 0.00 175.22 171.60 2jtd n ASN 55 N 4.79 -5.03 -0.17 6.13 4.05 0.07 -1.11 115.26 123.99 2jtd n ASN 55 Ca -0.15 -0.03 -0.02 0.00 0.45 0.00 0.00 54.58 54.82 2jtd n ASN 55 Cb 0.50 -4.11 -0.01 0.00 1.23 0.00 0.00 39.78 37.39 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 -2.70 -0.90 -5.09 1.20 1.02 -1.26 -5.00 120.64 107.91 2jtd n GLU 56 Ca -0.19 0.37 -0.32 0.00 -0.02 0.00 0.00 57.16 57.00 2jtd n GLU 56 Cb 0.65 -4.14 -0.15 0.00 -0.02 0.00 0.00 31.44 27.78 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 -1.37 2.68 0.27 3.49 -0.14 -0.27 -5.04 119.74 119.36 2jtd s LYS 57 Ca 0.00 -0.82 -0.29 0.00 -1.36 0.00 0.00 55.97 53.50 2jtd s LYS 57 Cb 0.00 -2.30 -0.10 0.00 -1.68 0.00 0.00 37.83 33.76 2jtd s LYS 57 CO 0.00 0.41 1.29 -1.21 -0.76 0.00 0.00 175.35 175.08 2jtd s GLU 58 N -0.22 4.40 0.56 1.68 2.02 -1.25 0.05 118.70 125.94 2jtd s GLU 58 Ca -0.01 2.10 0.06 0.00 0.02 0.00 0.00 54.97 57.14 2jtd s GLU 58 Cb -0.13 -3.14 0.05 0.00 0.10 0.00 0.00 34.13 31.01 2jtd s GLU 58 CO 0.03 -0.17 0.49 0.96 0.02 0.00 0.00 175.26 176.60 2jtd s ILE 59 N -0.58 1.72 0.14 -1.63 -4.36 -0.56 -4.91 121.20 111.01 2jtd s ILE 59 Ca 0.52 -1.39 0.04 0.00 -0.26 0.00 0.00 60.65 59.56 2jtd s ILE 59 Cb -0.37 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.19 2jtd s ILE 59 CO 0.45 0.00 -0.08 0.72 0.24 0.00 0.00 174.94 176.26 2jtd s PHE 60 N -2.76 1.18 0.04 1.37 -0.71 -1.26 -4.99 117.98 110.85 2jtd s PHE 60 Ca 0.40 -0.82 -0.30 0.00 -1.04 0.00 0.00 56.93 55.16 2jtd s PHE 60 Cb -0.03 -0.62 -0.07 0.00 -1.21 0.00 0.00 43.02 41.09 2jtd s PHE 60 CO 0.25 0.00 1.48 -2.00 -1.34 0.00 0.00 175.22 173.62 2jtd s GLU 61 N -3.78 4.26 0.00 1.99 -6.30 -1.26 -4.75 118.70 108.85 2jtd s GLU 61 Ca 0.16 2.10 0.00 0.00 -2.50 0.00 0.00 54.97 54.73 2jtd s GLU 61 Cb 0.04 -3.54 0.00 0.00 0.00 0.00 0.00 34.13 30.62 2jtd s GLU 61 CO -0.00 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.07 2jtd n GLY 62 N 3.75 3.94 0.37 -1.50 0.00 -0.51 -5.00 105.19 106.24 2jtd n GLY 62 Ca 0.14 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.87 0.00 1.61 0.13 -2.02 -3.33 132.00 127.53 2jtd h PRO 63 Ca 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2jtd h PRO 63 Cb 0.00 0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.33 2jtd h PRO 63 CO 0.00 -0.54 -1.24 0.36 -0.23 0.00 0.00 178.00 176.35 2jtd n LYS 64 N -5.41 0.17 -3.54 0.86 -0.00 -1.26 -4.88 118.16 104.11 2jtd n LYS 64 Ca -0.12 -0.05 -0.37 0.00 -0.00 0.00 0.00 58.31 57.77 2jtd n LYS 64 Cb 0.38 -1.51 -0.08 0.00 -0.00 0.00 0.00 35.03 33.82 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 -3.13 3.39 -0.13 5.58 2.02 -1.25 -3.59 117.35 120.23 2jtd s TYR 65 Ca 0.04 0.48 -0.04 0.00 -0.37 0.00 0.00 57.07 57.18 2jtd s TYR 65 Cb 0.15 -2.36 0.06 0.00 -0.40 0.00 0.00 41.96 39.42 2jtd s TYR 65 CO 0.87 0.12 0.18 0.21 -1.57 0.00 0.00 175.55 175.37 2jtd s LYS 66 N 0.88 0.09 0.24 -0.62 2.47 -1.15 -1.42 119.74 120.23 2jtd s LYS 66 Ca 0.14 0.43 0.08 0.00 -1.56 0.00 0.00 55.97 55.06 2jtd s LYS 66 Cb -0.13 -0.64 -0.04 0.00 -1.46 0.00 0.00 37.83 35.56 2jtd s LYS 66 CO 0.05 -0.43 0.07 -1.64 0.16 0.00 0.00 175.35 173.55 2jtd s MET 67 N 2.31 2.56 -0.07 4.03 -1.94 -1.26 -0.40 119.30 124.52 2jtd s MET 67 Ca 0.04 -1.20 -0.02 0.00 -1.71 0.00 0.00 55.69 52.79 2jtd s MET 67 Cb -0.13 -2.36 0.04 0.00 2.01 0.00 0.00 34.83 34.38 2jtd s MET 67 CO -0.08 0.40 0.05 -1.58 -0.01 0.00 0.00 175.02 173.80 2jtd s HIS 68 N -2.11 0.25 -0.10 -0.03 2.46 0.14 -4.92 115.29 110.98 2jtd s HIS 68 Ca 0.31 0.03 -0.03 0.00 0.47 0.00 0.00 55.06 55.84 2jtd s HIS 68 Cb -0.08 -0.61 0.04 0.00 -0.13 0.00 0.00 32.58 31.81 2jtd s HIS 68 CO 0.21 -0.29 0.04 -1.50 -2.47 0.00 0.00 174.74 170.74 2jtd s ILE 69 N 2.11 0.15 0.48 0.89 2.07 -1.26 0.03 121.20 125.67 2jtd s ILE 69 Ca 0.04 0.05 0.08 0.00 -1.41 0.00 0.00 60.65 59.41 2jtd s ILE 69 Cb -0.13 -0.50 0.02 0.00 0.13 0.00 0.00 42.46 41.98 2jtd s ILE 69 CO -0.05 0.05 0.49 1.51 -1.91 0.00 0.00 174.94 175.03 2jtd s ASP 70 N 2.05 5.01 -0.08 4.50 -4.77 -1.26 -5.04 116.67 117.09 2jtd s ASP 70 Ca 0.03 -0.86 0.12 0.00 -3.30 0.00 0.00 52.55 48.54 2jtd s ASP 70 Cb -0.14 -0.15 0.22 0.00 -1.09 0.00 0.00 42.92 41.77 2jtd s ASP 70 CO -0.06 -0.92 1.11 -2.11 0.70 0.00 0.00 175.17 173.89 2jtd n ARG 71 N -1.78 0.70 -0.12 2.11 0.00 -1.26 -4.38 116.66 111.94 2jtd n ARG 71 Ca 0.05 -2.05 -0.26 0.00 -0.00 0.00 0.00 57.85 55.59 2jtd n ARG 71 Cb 0.62 -0.97 -0.11 0.00 -0.00 0.00 0.00 32.46 32.01 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 -0.63 1.96 0.00 2.89 3.02 -1.26 -4.86 115.26 116.38 2jtd n ASN 72 Ca 0.09 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 2jtd n ASN 72 Cb 0.74 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 2jtd n ASN 72 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jtd n THR 73 N -4.04 0.00 0.00 3.41 -1.04 -1.26 -5.07 114.28 106.27 2jtd n THR 73 Ca -0.48 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 2jtd n THR 73 Cb 0.89 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 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 2.88 0.75 3.20 3.41 0.00 -1.26 -4.14 105.19 110.03 2jtd n GLY 74 Ca 0.00 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.47 3.08 -0.25 -0.61 -1.09 -1.26 -3.59 121.20 117.01 2jtd s ILE 75 Ca 0.00 -1.20 -0.17 0.00 -2.23 0.00 0.00 60.65 57.05 2jtd s ILE 75 Cb 0.00 -2.69 -0.03 0.00 -1.58 0.00 0.00 42.46 38.16 2jtd s ILE 75 CO 0.00 0.00 0.49 -0.63 -1.23 0.00 0.00 174.94 173.57 2jtd s ILE 76 N 1.31 5.10 0.29 2.92 1.01 -1.21 -4.08 121.20 126.54 2jtd s ILE 76 Ca -0.03 0.84 0.07 0.00 0.00 0.00 0.00 60.65 61.53 2jtd s ILE 76 Cb -0.19 -3.81 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 2jtd s ILE 76 CO -0.02 0.12 -0.05 -1.61 0.00 0.00 0.00 174.94 173.39 2jtd s GLU 77 N 2.08 1.60 -0.19 2.79 2.02 0.10 -0.80 118.70 126.29 2jtd s GLU 77 Ca 0.21 -1.82 -0.14 0.00 0.02 0.00 0.00 54.97 53.24 2jtd s GLU 77 Cb -0.16 -1.20 0.06 0.00 0.10 0.00 0.00 34.13 32.93 2jtd s GLU 77 CO 0.09 0.03 0.49 1.41 0.02 0.00 0.00 175.26 177.30 2jtd s MET 78 N -3.73 0.52 -0.05 1.61 1.75 0.81 0.27 119.30 120.48 2jtd s MET 78 Ca 0.31 0.82 0.02 0.00 -1.25 0.00 0.00 55.69 55.58 2jtd s MET 78 Cb 0.04 0.13 0.02 0.00 2.84 0.00 0.00 34.83 37.86 2jtd s MET 78 CO 0.13 -0.12 -0.08 0.12 -0.65 0.00 0.00 175.02 174.42 2jtd s PHE 79 N 0.97 1.04 0.01 4.11 5.36 0.47 -0.32 117.98 129.61 2jtd s PHE 79 Ca -0.06 -0.33 0.03 0.00 -0.96 0.00 0.00 56.93 55.61 2jtd s PHE 79 Cb -0.06 -0.82 -0.01 0.00 -0.34 0.00 0.00 43.02 41.79 2jtd s PHE 79 CO -0.08 -0.21 -0.09 -1.64 -1.46 0.00 0.00 175.22 171.74 2jtd s MET 80 N 0.71 0.68 0.39 10.12 -1.94 -1.15 -2.95 119.30 125.16 2jtd s MET 80 Ca -0.12 -0.40 0.08 0.00 -1.71 0.00 0.00 55.69 53.54 2jtd s MET 80 Cb -0.14 -0.63 -0.06 0.00 2.01 0.00 0.00 34.83 36.00 2jtd s MET 80 CO 0.02 0.17 0.10 -2.00 -0.01 0.00 0.00 175.02 173.30 2jtd s GLU 81 N -0.47 2.14 0.13 2.03 2.56 -1.24 -3.54 118.70 120.32 2jtd s GLU 81 Ca 0.01 -1.86 -0.20 0.00 0.00 0.00 0.00 54.97 52.92 2jtd s GLU 81 Cb -0.04 -1.91 -0.07 0.00 2.00 0.00 0.00 34.13 34.10 2jtd s GLU 81 CO -0.00 -0.03 0.65 -1.59 -0.56 0.00 0.00 175.26 173.73 2jtd s LYS 82 N -3.82 4.28 0.02 4.30 -2.85 -1.26 -4.72 119.74 115.69 2jtd s LYS 82 Ca 0.38 0.84 0.00 0.00 -1.00 0.00 0.00 55.97 56.19 2jtd s LYS 82 Cb 0.04 -3.14 0.00 0.00 -2.06 0.00 0.00 37.83 32.67 2jtd s LYS 82 CO 0.21 0.56 0.00 -0.11 0.10 0.00 0.00 175.35 176.11 2jtd n LEU 83 N 1.39 0.11 -4.33 2.77 -0.00 -1.26 -5.03 117.00 110.66 2jtd n LEU 83 Ca -0.07 0.03 -0.17 0.00 -0.00 0.00 0.00 56.01 55.80 2jtd n LEU 83 Cb 0.50 -0.02 -0.10 0.00 -0.00 0.00 0.00 43.42 43.80 2jtd n LEU 83 CO 0.43 -0.54 -0.41 -1.10 -0.00 0.00 0.00 177.39 175.77 2jtd s GLN 84 N -1.14 1.28 0.09 1.96 -1.52 -1.26 -5.03 119.66 114.04 2jtd s GLN 84 Ca 0.00 -1.59 0.19 0.00 -1.95 0.00 0.00 55.36 52.01 2jtd s GLN 84 Cb 0.00 -0.91 0.77 0.00 -0.22 0.00 0.00 33.01 32.66 2jtd s GLN 84 CO 0.00 0.10 1.58 -0.40 -0.25 0.00 0.00 175.29 176.31 2jtd n ASP 85 N -0.36 0.24 0.24 5.90 5.75 -1.26 -1.18 116.55 125.88 2jtd n ASP 85 Ca -0.08 0.56 0.13 0.00 -0.01 0.00 0.00 54.79 55.39 2jtd n ASP 85 Cb 0.61 -0.61 0.36 0.00 -1.03 0.00 0.00 41.12 40.46 2jtd n ASP 85 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2jtd h GLU 86 N 0.00 0.00 -0.00 0.11 4.11 -2.00 -2.96 114.58 113.84 2jtd h GLU 86 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jtd h GLU 86 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2jtd h GLU 86 CO 0.00 0.05 -0.21 -0.25 0.07 0.00 0.00 179.01 178.67 2jtd n ASP 87 N -3.13 0.23 -4.95 3.06 8.00 -0.32 -4.82 116.55 114.62 2jtd n ASP 87 Ca 0.02 0.13 -0.20 0.00 0.71 0.00 0.00 54.79 55.45 2jtd n ASP 87 Cb 0.46 -0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.38 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 -2.97 3.15 0.00 -1.24 2.56 -1.12 -5.03 118.70 114.06 2jtd s GLU 88 Ca 0.14 -0.97 0.00 0.00 0.00 0.00 0.00 54.97 54.13 2jtd s GLU 88 Cb 0.18 -2.78 0.00 0.00 2.00 0.00 0.00 34.13 33.53 2jtd s GLU 88 CO 0.60 0.20 0.00 0.41 -0.56 0.00 0.00 175.26 175.91 2jtd n GLY 89 N -1.50 -0.48 3.56 -1.50 0.00 -0.70 -4.94 105.19 99.62 2jtd n GLY 89 Ca -0.04 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 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 5.00 -0.38 2.61 2.01 -1.26 -0.34 115.64 119.27 2jtd s THR 90 Ca 0.00 0.36 -0.15 0.00 0.31 0.00 0.00 61.69 62.21 2jtd s THR 90 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.53 2jtd s THR 90 CO 0.00 -0.24 0.30 -0.31 -0.69 0.00 0.00 174.62 173.68 2jtd s TYR 91 N 2.44 3.23 -0.33 4.92 1.51 0.89 -0.75 117.35 129.26 2jtd s TYR 91 Ca 0.19 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 2jtd s TYR 91 Cb -0.15 -2.59 0.09 0.00 -0.11 0.00 0.00 41.96 39.19 2jtd s TYR 91 CO 0.14 -0.51 0.04 0.99 -1.11 0.00 0.00 175.55 175.10 2jtd s THR 92 N 1.77 2.60 -0.44 -0.71 2.01 -0.66 0.21 115.64 120.42 2jtd s THR 92 Ca 0.07 -1.99 -0.22 0.00 0.31 0.00 0.00 61.69 59.86 2jtd s THR 92 Cb -0.18 -2.74 0.02 0.00 0.01 0.00 0.00 72.50 69.61 2jtd s THR 92 CO 0.11 -0.43 0.72 0.12 -0.69 0.00 0.00 174.62 174.45 2jtd s PHE 93 N 1.05 3.03 -0.32 4.92 5.36 0.81 -3.74 117.98 129.09 2jtd s PHE 93 Ca 0.04 0.08 -0.15 0.00 -0.96 0.00 0.00 56.93 55.94 2jtd s PHE 93 Cb -0.20 -3.51 -0.02 0.00 -0.34 0.00 0.00 43.02 38.94 2jtd s PHE 93 CO -0.05 -0.93 0.34 -0.65 -1.46 0.00 0.00 175.22 172.47 2jtd s GLN 94 N 3.07 3.67 -0.22 10.12 -0.21 -1.21 -0.52 119.66 134.37 2jtd s GLN 94 Ca 0.27 -0.34 -0.05 0.00 0.02 0.00 0.00 55.36 55.25 2jtd s GLN 94 Cb -0.13 -3.77 -0.02 0.00 1.00 0.00 0.00 33.01 30.09 2jtd s GLN 94 CO 0.21 -0.45 0.01 0.42 -2.12 0.00 0.00 175.29 173.36 2jtd s ILE 95 N 1.99 3.94 -0.41 1.08 1.01 -0.70 -2.60 121.20 125.52 2jtd s ILE 95 Ca 0.12 -0.31 -0.16 0.00 0.00 0.00 0.00 60.65 60.30 2jtd s ILE 95 Cb -0.16 -2.80 0.02 0.00 0.01 0.00 0.00 42.46 39.52 2jtd s ILE 95 CO 0.11 0.40 0.36 -1.58 0.00 0.00 0.00 174.94 174.24 2jtd s GLN 96 N 1.26 3.07 0.40 2.79 0.74 -1.25 -3.26 119.66 123.41 2jtd s GLN 96 Ca 0.04 -0.86 0.08 0.00 0.05 0.00 0.00 55.36 54.66 2jtd s GLN 96 Cb -0.15 -3.96 -0.03 0.00 1.10 0.00 0.00 33.01 29.98 2jtd s GLN 96 CO 0.01 -0.77 0.30 0.34 -0.55 0.00 0.00 175.29 174.62 2jtd s ASP 97 N 1.74 4.91 0.42 6.67 2.15 -0.42 -4.47 116.67 127.67 2jtd s ASP 97 Ca 0.08 -0.79 0.16 0.00 0.43 0.00 0.00 52.55 52.44 2jtd s ASP 97 Cb -0.18 -0.62 1.04 0.00 -0.30 0.00 0.00 42.92 42.86 2jtd s ASP 97 CO 0.12 -0.55 1.90 1.23 -0.17 0.00 0.00 175.17 177.69 2jtd h GLY 98 N 1.19 0.78 0.00 2.66 0.00 -1.96 -3.35 103.07 102.39 2jtd h GLY 98 Ca -0.42 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2jtd h GLY 98 CO 0.61 0.05 -0.11 1.17 0.00 0.00 0.00 176.54 178.26 2jtd n LYS 99 N -4.49 0.97 -2.92 4.80 4.81 -1.26 -5.08 118.16 114.99 2jtd n LYS 99 Ca 0.16 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.21 2jtd n LYS 99 Cb 0.57 -0.55 -0.06 0.00 0.02 0.00 0.00 35.03 35.00 2jtd n LYS 99 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jtd s ALA 100 N -1.01 3.40 -0.10 3.14 0.00 -1.26 -5.06 121.76 120.88 2jtd s ALA 100 Ca 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 2jtd s ALA 100 Cb 0.00 -3.03 0.05 0.00 0.00 0.00 0.00 23.12 20.15 2jtd s ALA 100 CO 0.00 0.27 0.20 0.99 0.00 0.00 0.00 175.76 177.21 2jtd s THR 101 N -1.23 -0.30 0.24 0.00 2.01 -1.26 -1.30 115.64 113.80 2jtd s THR 101 Ca 0.39 0.32 -0.17 0.00 0.31 0.00 0.00 61.69 62.54 2jtd s THR 101 Cb -0.23 -0.34 0.06 0.00 0.01 0.00 0.00 72.50 72.00 2jtd s THR 101 CO 0.27 0.13 0.84 0.61 -0.69 0.00 0.00 174.62 175.79 2jtd n GLY 102 N 5.25 0.83 2.82 4.40 0.00 -1.20 -5.06 105.19 112.23 2jtd n GLY 102 Ca -0.07 -1.17 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.66 0.10 -0.41 1.61 -3.43 -1.26 -1.71 115.29 107.54 2jtd s HIS 103 Ca 0.18 0.05 -0.14 0.00 -0.80 0.00 0.00 55.06 54.35 2jtd s HIS 103 Cb -0.03 -0.21 0.02 0.00 -1.43 0.00 0.00 32.58 30.93 2jtd s HIS 103 CO 0.07 -0.07 0.28 -1.12 -2.00 0.00 0.00 174.74 171.91 2jtd s SER 104 N 0.68 6.03 -0.26 7.38 0.01 0.32 -4.89 113.70 122.97 2jtd s SER 104 Ca -0.06 -0.95 -0.07 0.00 1.31 0.00 0.00 55.95 56.18 2jtd s SER 104 Cb -0.09 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.00 2jtd s SER 104 CO -0.02 -0.45 0.06 -0.89 0.41 0.00 0.00 173.24 172.36 2jtd s THR 105 N 1.65 4.15 -0.11 1.44 2.01 -1.26 -0.13 115.64 123.39 2jtd s THR 105 Ca 0.04 -0.32 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 2jtd s THR 105 Cb -0.19 -2.98 0.03 0.00 0.01 0.00 0.00 72.50 69.36 2jtd s THR 105 CO 0.09 0.28 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.05 2jtd s LEU 106 N 1.58 1.01 -0.16 4.42 1.98 0.13 -4.98 118.68 122.65 2jtd s LEU 106 Ca 0.06 -0.29 -0.03 0.00 -2.89 0.00 0.00 54.13 50.97 2jtd s LEU 106 Cb -0.15 -0.68 -0.02 0.00 0.66 0.00 0.00 46.19 45.99 2jtd s LEU 106 CO 0.03 -0.17 -0.04 0.54 -1.89 0.00 0.00 176.35 174.82 2jtd s VAL 107 N 1.81 3.75 -0.30 1.68 0.11 -1.26 -0.08 120.40 126.11 2jtd s VAL 107 Ca 0.04 -0.40 -0.00 0.00 -2.93 0.00 0.00 61.98 58.69 2jtd s VAL 107 Cb -0.13 -2.65 0.09 0.00 -1.53 0.00 0.00 36.38 32.17 2jtd s VAL 107 CO -0.07 0.48 0.07 -0.76 -3.33 0.00 0.00 175.10 171.49 2jtd s LEU 108 N 0.54 2.50 -0.05 2.54 1.43 0.54 -4.50 118.68 121.67 2jtd s LEU 108 Ca -0.04 -1.59 -0.29 0.00 -1.03 0.00 0.00 54.13 51.18 2jtd s LEU 108 Cb -0.14 -0.97 0.07 0.00 0.03 0.00 0.00 46.19 45.17 2jtd s LEU 108 CO 0.03 -0.39 0.65 0.27 0.23 0.00 0.00 176.35 177.14 2jtd s ILE 109 N 1.53 0.00 0.00 -0.59 -4.36 -1.26 -1.73 121.20 114.79 2jtd s ILE 109 Ca 0.08 -0.04 0.00 0.00 -0.26 0.00 0.00 60.65 60.43 2jtd s ILE 109 Cb -0.18 -0.97 0.00 0.00 1.25 0.00 0.00 42.46 42.57 2jtd s ILE 109 CO -0.20 -0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.57 2jtd n GLY 110 N 0.99 3.10 0.20 6.27 0.00 -1.26 -0.69 105.19 113.80 2jtd n GLY 110 Ca -0.19 0.02 0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.42 1.61 1.82 -2.02 -3.28 116.42 114.12 2jtd h ASP 111 Ca 0.00 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.57 2jtd h ASP 111 Cb 0.00 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 2jtd h ASP 111 CO 0.00 0.29 0.03 0.58 -1.61 0.00 0.00 179.24 178.53 2jtd h VAL 112 N 0.00 1.24 0.00 2.25 2.07 -1.29 -2.65 116.25 117.87 2jtd h VAL 112 Ca -0.00 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2jtd h VAL 112 Cb 0.95 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2jtd h VAL 112 CO 0.04 0.34 0.00 0.10 0.02 0.00 0.00 177.57 178.07 2jtd h TYR 113 N 0.76 0.00 0.00 1.57 -0.00 -1.54 -2.06 116.97 115.69 2jtd h TYR 113 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.79 2jtd h TYR 113 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.14 2jtd h TYR 113 CO 0.02 0.00 -0.44 1.57 -0.00 0.00 0.00 178.16 179.32 2jtd h LYS 114 N 0.00 0.00 0.31 0.10 2.10 -1.67 -0.25 116.57 117.16 2jtd h LYS 114 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2jtd h LYS 114 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2jtd h LYS 114 CO 0.00 0.44 -0.15 -0.22 -2.00 0.00 0.00 179.45 177.52 2jtd h LYS 115 N 0.00 -0.40 -0.15 0.07 3.64 -1.46 0.16 116.57 118.43 2jtd h LYS 115 Ca -0.00 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 2jtd h LYS 115 Cb 1.09 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2jtd h LYS 115 CO 0.06 -0.12 -0.12 -0.07 -2.27 0.00 0.00 179.45 176.93 2jtd h LEU 116 N -0.67 0.21 0.40 5.20 -0.00 -1.58 -2.01 115.31 116.87 2jtd h LEU 116 Ca -0.04 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.78 2jtd h LEU 116 Cb 0.47 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 2jtd h LEU 116 CO 0.07 0.36 -0.19 -0.61 -0.00 0.00 0.00 178.44 178.07 2jtd h GLN 117 N 0.22 -0.52 0.00 1.13 5.75 -0.81 -2.67 115.11 118.21 2jtd h GLN 117 Ca 0.05 0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.51 2jtd h GLN 117 Cb 0.36 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 2jtd h GLN 117 CO 0.02 -0.22 -0.34 0.87 -2.65 0.00 0.00 178.83 176.51 2jtd h LYS 118 N -0.84 0.00 0.00 1.69 1.79 -0.64 -1.64 116.57 116.94 2jtd h LYS 118 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2jtd h LYS 118 Cb 0.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2jtd h LYS 118 CO 0.09 0.34 -0.54 0.39 -1.08 0.00 0.00 179.45 178.65 2jtd n GLU 119 N -3.29 0.09 -0.12 3.15 1.02 -0.76 -4.05 120.64 116.68 2jtd n GLU 119 Ca 0.01 0.02 -0.24 0.00 -0.02 0.00 0.00 57.16 56.94 2jtd n GLU 119 Cb 0.59 -1.55 -0.11 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.60 1.21 -2.67 0.62 0.00 -1.01 -4.99 120.51 112.07 2jtd n ALA 120 Ca 0.05 -0.99 -0.19 0.00 0.00 0.00 0.00 53.44 52.31 2jtd n ALA 120 Cb 0.37 -0.11 -0.13 0.00 0.00 0.00 0.00 19.45 19.57 2jtd n ALA 120 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2jtd s GLU 121 N -2.50 0.86 0.00 0.00 -6.30 -0.63 -5.02 118.70 105.11 2jtd s GLU 121 Ca -0.35 -0.71 0.27 0.00 -2.50 0.00 0.00 54.97 51.67 2jtd s GLU 121 Cb 0.11 -0.84 0.74 0.00 0.00 0.00 0.00 34.13 34.13 2jtd s GLU 121 CO 0.57 0.21 1.57 1.19 0.02 0.00 0.00 175.26 178.82