#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 1.75 -2.35 3.49 -0.58 -1.26 -5.10 120.64 116.59 2jtd n GLU 2 Ca 0.00 -4.25 -0.32 0.00 -0.42 0.00 0.00 57.16 52.18 2jtd n GLU 2 Cb 0.00 -2.07 -0.02 0.00 -0.57 0.00 0.00 31.44 28.77 2jtd n GLU 2 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2jtd s GLU 3 N -1.61 3.85 0.57 3.49 8.01 -1.26 -4.95 118.70 126.79 2jtd s GLU 3 Ca 0.33 0.83 0.32 0.00 0.01 0.00 0.00 54.97 56.46 2jtd s GLU 3 Cb 0.06 -2.16 1.76 0.00 -4.31 0.00 0.00 34.13 29.48 2jtd s GLU 3 CO -0.11 -0.30 2.19 0.00 0.01 0.00 0.00 175.26 177.04 2jtd h MET 4 N 0.68 0.00 -0.98 1.61 -0.00 -2.01 -1.61 114.93 112.62 2jtd h MET 4 Ca -0.46 0.00 0.16 0.00 -0.00 0.00 0.00 59.70 59.40 2jtd h MET 4 Cb 1.19 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 32.70 2jtd h MET 4 CO 0.62 0.05 0.61 0.87 -0.00 0.00 0.00 176.91 179.06 2jtd h LYS 5 N 0.00 0.77 0.00 -0.10 1.79 -2.02 -0.61 116.57 116.40 2jtd h LYS 5 Ca -0.00 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 2jtd h LYS 5 Cb 0.18 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 2jtd h LYS 5 CO 0.01 0.51 -0.22 -0.09 -1.08 0.00 0.00 179.45 178.58 2jtd h ARG 6 N 0.80 0.00 -0.02 3.15 2.43 -1.67 -3.01 114.38 116.05 2jtd h ARG 6 Ca 0.52 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.61 2jtd h ARG 6 Cb 0.76 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2jtd h ARG 6 CO -0.29 0.22 -0.39 -0.07 -1.51 0.00 0.00 179.97 177.93 2jtd h LEU 7 N 0.00 0.05 -0.30 3.80 3.38 -1.19 -1.38 115.31 119.67 2jtd h LEU 7 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jtd h LEU 7 Cb 0.86 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2jtd h LEU 7 CO 0.03 0.43 0.00 -0.07 0.09 0.00 0.00 178.44 178.92 2jtd h LEU 8 N 0.04 0.00 0.00 1.67 -0.00 -1.49 -3.01 115.31 112.52 2jtd h LEU 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2jtd h LEU 8 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 2jtd h LEU 8 CO 0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 178.44 178.33 2jtd h ALA 9 N 2.13 0.89 -2.30 1.53 0.00 -1.29 -3.46 119.26 116.76 2jtd h ALA 9 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 2jtd h ALA 9 Cb 0.82 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.64 2jtd h ALA 9 CO 0.00 0.00 0.38 -0.51 0.00 0.00 0.00 179.25 179.12 2jtd s LEU 10 N -4.61 3.72 -0.02 0.00 1.43 -1.07 -4.86 118.68 113.29 2jtd s LEU 10 Ca 0.09 1.84 -0.19 0.00 -1.03 0.00 0.00 54.13 54.84 2jtd s LEU 10 Cb 0.12 -4.54 0.04 0.00 0.03 0.00 0.00 46.19 41.83 2jtd s LEU 10 CO 0.63 -0.85 0.42 -0.44 0.23 0.00 0.00 176.35 176.34 2jtd s SER 11 N -2.36 -0.32 -0.02 2.29 0.01 -1.26 -5.05 113.70 106.99 2jtd s SER 11 Ca 0.65 0.24 -0.30 0.00 1.31 0.00 0.00 55.95 57.85 2jtd s SER 11 Cb -0.15 0.39 -0.07 0.00 0.21 0.00 0.00 66.02 66.40 2jtd s SER 11 CO 0.26 -0.52 1.76 0.00 0.41 0.00 0.00 173.24 175.15 2jtd s GLN 12 N -1.45 4.17 -0.81 12.44 -2.07 -1.26 -4.94 119.66 125.74 2jtd s GLN 12 Ca -0.12 2.34 -0.19 0.00 -1.82 0.00 0.00 55.36 55.57 2jtd s GLN 12 Cb -0.03 -4.05 0.12 0.00 -1.09 0.00 0.00 33.01 27.96 2jtd s GLN 12 CO 0.05 -0.88 0.99 -2.00 -1.32 0.00 0.00 175.29 172.12 2jtd s GLU 13 N 4.18 3.41 0.00 9.60 -6.30 -1.26 -4.65 118.70 123.67 2jtd s GLU 13 Ca 0.79 -1.57 0.00 0.00 -2.50 0.00 0.00 54.97 51.69 2jtd s GLU 13 Cb -0.37 -4.62 0.00 0.00 0.00 0.00 0.00 34.13 29.14 2jtd s GLU 13 CO 0.34 -1.70 0.80 1.58 0.02 0.00 0.00 175.26 176.30 2jtd n HIS 14 N 6.50 0.00 -2.86 5.30 -0.00 -1.26 -5.05 115.22 117.85 2jtd n HIS 14 Ca 0.12 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.87 2jtd n HIS 14 Cb 0.47 -0.01 -0.04 0.00 -0.12 0.00 0.00 29.99 30.30 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 0.00 3.12 0.11 1.57 2.20 -1.26 -4.87 119.74 120.61 2jtd s LYS 15 Ca 0.00 -0.80 -0.12 0.00 -0.36 0.00 0.00 55.97 54.68 2jtd s LYS 15 Cb 0.00 -4.22 -0.15 0.00 -1.51 0.00 0.00 37.83 31.96 2jtd s LYS 15 CO 0.00 -1.78 1.31 0.74 -0.36 0.00 0.00 175.35 175.25 2jtd h PHE 16 N 9.54 1.06 -0.24 4.03 0.04 -2.01 -3.39 116.94 125.96 2jtd h PHE 16 Ca -0.29 -0.47 -0.07 0.00 2.80 0.00 0.00 57.97 59.94 2jtd h PHE 16 Cb 1.07 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 2jtd h PHE 16 CO 0.96 1.30 0.22 -2.14 -0.60 0.00 0.00 178.31 178.06 2jtd s PRO 17 N -3.73 1.51 0.35 1.51 0.02 -1.26 -4.82 135.00 128.57 2jtd s PRO 17 Ca -0.10 -0.32 0.07 0.00 0.02 0.00 0.00 61.00 60.67 2jtd s PRO 17 Cb 0.09 -4.98 -0.03 0.00 0.02 0.00 0.00 34.50 29.60 2jtd s PRO 17 CO 0.90 -4.97 0.27 0.99 -0.33 0.00 0.00 177.00 173.86 2jtd s THR 18 N 15.41 0.06 0.68 0.99 2.01 -1.26 -5.18 115.64 128.35 2jtd s THR 18 Ca 0.82 -2.00 0.02 0.00 0.31 0.00 0.00 61.69 60.83 2jtd s THR 18 Cb -0.06 -2.47 0.11 0.00 0.01 0.00 0.00 72.50 70.09 2jtd s THR 18 CO 0.14 0.00 0.93 0.68 -0.69 0.00 0.00 174.62 175.69 2jtd s VAL 19 N -3.37 2.16 0.23 3.82 -7.23 -1.26 -4.97 120.40 109.78 2jtd s VAL 19 Ca 0.38 -0.70 -0.02 0.00 -1.81 0.00 0.00 61.98 59.84 2jtd s VAL 19 Cb 0.02 -2.46 0.33 0.00 0.56 0.00 0.00 36.38 34.83 2jtd s VAL 19 CO 0.27 0.00 1.19 -2.65 -0.31 0.00 0.00 175.10 173.60 2jtd n PRO 20 N -2.66 -0.06 -1.88 4.82 -0.02 -1.26 -4.58 135.00 129.35 2jtd n PRO 20 Ca 0.15 1.16 -0.09 0.00 -2.02 0.00 0.00 63.50 62.70 2jtd n PRO 20 Cb 0.61 -1.79 0.03 0.00 -0.02 0.00 0.00 33.50 32.33 2jtd n PRO 20 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2jtd n THR 21 N -5.13 0.00 -0.48 3.45 -2.24 -1.26 -5.03 114.28 103.59 2jtd n THR 21 Ca 0.16 -0.86 0.07 0.00 -2.27 0.00 0.00 64.05 61.15 2jtd n THR 21 Cb 0.50 -0.78 0.21 0.00 -2.10 0.00 0.00 70.33 68.16 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 -1.56 2.97 -3.18 -0.78 4.76 -1.26 -4.91 118.16 114.20 2jtd n LYS 22 Ca 0.07 -2.39 -0.45 0.00 -2.87 0.00 0.00 58.31 52.67 2jtd n LYS 22 Cb 0.27 -1.52 -0.04 0.00 -1.84 0.00 0.00 35.03 31.90 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 -1.29 6.28 -0.05 4.39 0.01 -1.25 -3.20 113.70 118.60 2jtd s SER 23 Ca 0.32 -1.72 0.02 0.00 1.31 0.00 0.00 55.95 55.89 2jtd s SER 23 Cb 0.21 -2.27 0.01 0.00 0.21 0.00 0.00 66.02 64.18 2jtd s SER 23 CO 0.15 -0.98 -0.09 -0.70 0.41 0.00 0.00 173.24 172.02 2jtd s GLU 24 N 2.10 1.26 -0.44 12.44 2.12 -0.62 -4.86 118.70 130.71 2jtd s GLU 24 Ca 0.11 -0.30 -0.17 0.00 0.36 0.00 0.00 54.97 54.97 2jtd s GLU 24 Cb -0.23 -1.12 0.03 0.00 0.26 0.00 0.00 34.13 33.08 2jtd s GLU 24 CO 0.03 0.03 0.42 -1.17 -0.54 0.00 0.00 175.26 174.03 2jtd s LEU 25 N 0.59 5.07 -0.03 2.70 1.98 -1.26 -2.51 118.68 125.21 2jtd s LEU 25 Ca -0.11 -0.87 0.03 0.00 -2.89 0.00 0.00 54.13 50.30 2jtd s LEU 25 Cb -0.13 -2.31 -0.03 0.00 0.66 0.00 0.00 46.19 44.38 2jtd s LEU 25 CO 0.02 -0.60 -0.09 0.00 -1.89 0.00 0.00 176.35 173.78 2jtd s ALA 26 N 2.01 2.89 -0.07 5.97 0.00 -1.12 -4.87 121.76 126.58 2jtd s ALA 26 Ca 0.09 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.09 2jtd s ALA 26 Cb -0.19 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 21.85 2jtd s ALA 26 CO 0.11 0.58 -0.12 0.08 0.00 0.00 0.00 175.76 176.42 2jtd s VAL 27 N -0.87 1.12 -0.10 0.00 1.01 -1.26 -3.06 120.40 117.24 2jtd s VAL 27 Ca 0.14 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 2jtd s VAL 27 Cb -0.11 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2jtd s VAL 27 CO 0.04 0.35 -0.05 -1.61 0.00 0.00 0.00 175.10 173.83 2jtd s GLU 28 N 0.73 3.08 -0.23 2.72 0.41 -0.91 -5.04 118.70 119.46 2jtd s GLU 28 Ca -0.13 -0.51 -0.04 0.00 -0.41 0.00 0.00 54.97 53.88 2jtd s GLU 28 Cb -0.16 -2.73 -0.00 0.00 -1.78 0.00 0.00 34.13 29.46 2jtd s GLU 28 CO 0.03 0.54 -0.04 0.42 -0.49 0.00 0.00 175.26 175.72 2jtd s ILE 29 N -0.46 3.32 -0.26 -1.63 1.01 -1.26 -3.17 121.20 118.75 2jtd s ILE 29 Ca 0.07 -0.57 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 2jtd s ILE 29 Cb -0.12 -2.54 0.08 0.00 0.01 0.00 0.00 42.46 39.89 2jtd s ILE 29 CO 0.02 0.38 0.02 -0.76 0.00 0.00 0.00 174.94 174.61 2jtd s LEU 30 N 1.46 2.42 0.52 2.97 1.43 -1.19 -4.56 118.68 121.73 2jtd s LEU 30 Ca 0.05 -1.35 0.30 0.00 -1.03 0.00 0.00 54.13 52.09 2jtd s LEU 30 Cb -0.15 -1.01 1.39 0.00 0.03 0.00 0.00 46.19 46.45 2jtd s LEU 30 CO -0.03 -0.32 2.02 1.05 0.23 0.00 0.00 176.35 179.29 2jtd h GLU 31 N 8.02 0.00 -0.08 1.70 4.11 -1.84 -2.73 114.58 123.76 2jtd h GLU 31 Ca -0.15 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.31 2jtd h GLU 31 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2jtd h GLU 31 CO 0.43 0.11 0.10 -0.22 0.07 0.00 0.00 179.01 179.50 2jtd h LYS 32 N 0.00 0.00 0.00 1.06 3.64 -1.95 -3.43 116.57 115.89 2jtd h LYS 32 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jtd h LYS 32 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2jtd h LYS 32 CO 0.01 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.60 2jtd n GLY 33 N -1.34 0.24 3.30 5.01 0.00 -1.09 -5.15 105.19 106.17 2jtd n GLY 33 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.42 -0.43 1.61 2.00 -1.05 -4.76 119.66 117.45 2jtd s GLN 34 Ca 0.00 0.87 -0.14 0.00 -2.00 0.00 0.00 55.36 54.08 2jtd s GLN 34 Cb 0.00 0.50 0.04 0.00 0.80 0.00 0.00 33.01 34.35 2jtd s GLN 34 CO 0.00 -0.32 0.32 0.08 -0.50 0.00 0.00 175.29 174.86 2jtd s VAL 35 N 2.80 5.13 -0.29 1.34 1.01 -0.02 -3.19 120.40 127.18 2jtd s VAL 35 Ca 0.05 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.06 2jtd s VAL 35 Cb -0.11 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2jtd s VAL 35 CO -0.17 -0.40 0.28 0.00 0.00 0.00 0.00 175.10 174.81 2jtd s ARG 36 N 1.64 3.85 -0.20 2.72 1.70 -1.19 -1.74 118.95 125.73 2jtd s ARG 36 Ca 0.04 -0.27 -0.10 0.00 -0.47 0.00 0.00 55.73 54.94 2jtd s ARG 36 Cb -0.21 -3.70 -0.05 0.00 -0.57 0.00 0.00 34.95 30.42 2jtd s ARG 36 CO 0.08 -0.30 0.13 0.12 -1.08 0.00 0.00 175.30 174.25 2jtd s PHE 37 N 1.89 3.41 -0.08 5.89 2.19 -0.14 -2.14 117.98 129.00 2jtd s PHE 37 Ca 0.10 0.33 -0.05 0.00 0.33 0.00 0.00 56.93 57.64 2jtd s PHE 37 Cb -0.16 -2.15 0.03 0.00 -1.31 0.00 0.00 43.02 39.43 2jtd s PHE 37 CO 0.11 0.30 0.20 1.67 1.83 0.00 0.00 175.22 179.32 2jtd s TRP 38 N 0.31 -0.23 0.01 10.12 1.48 -1.17 0.17 118.94 129.63 2jtd s TRP 38 Ca 0.08 0.58 0.03 0.00 -1.06 0.00 0.00 56.10 55.74 2jtd s TRP 38 Cb -0.11 0.03 -0.01 0.00 -1.16 0.00 0.00 33.47 32.21 2jtd s TRP 38 CO -0.02 -0.16 -0.10 0.00 -4.06 0.00 0.00 176.95 172.62 2jtd s MET 39 N 0.70 0.72 -0.05 3.25 0.23 0.05 -2.79 119.30 121.41 2jtd s MET 39 Ca -0.05 -0.47 -0.02 0.00 -1.03 0.00 0.00 55.69 54.12 2jtd s MET 39 Cb -0.06 -0.68 -0.04 0.00 -1.53 0.00 0.00 34.83 32.52 2jtd s MET 39 CO -0.04 0.18 0.06 1.14 -2.03 0.00 0.00 175.02 174.33 2jtd s GLN 40 N -0.61 3.08 0.08 3.16 -2.07 -1.04 -1.56 119.66 120.69 2jtd s GLN 40 Ca 0.01 -0.41 -0.02 0.00 -1.82 0.00 0.00 55.36 53.12 2jtd s GLN 40 Cb -0.05 -2.88 -0.03 0.00 -1.09 0.00 0.00 33.01 28.96 2jtd s GLN 40 CO 0.00 0.69 0.03 0.00 -1.32 0.00 0.00 175.29 174.69 2jtd s ALA 41 N -1.05 0.50 -0.06 2.60 0.00 -0.72 -1.59 121.76 121.44 2jtd s ALA 41 Ca 0.18 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 51.00 2jtd s ALA 41 Cb -0.12 0.47 -0.08 0.00 0.00 0.00 0.00 23.12 23.39 2jtd s ALA 41 CO 0.08 -0.43 0.02 -0.85 0.00 0.00 0.00 175.76 174.58 2jtd n GLU 42 N 0.03 2.91 -3.24 0.00 0.00 -1.26 -4.72 120.64 114.36 2jtd n GLU 42 Ca -0.12 -0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.63 2jtd n GLU 42 Cb 0.62 -1.16 -0.08 0.00 0.00 0.00 0.00 31.44 30.82 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 -2.15 3.63 0.00 3.44 -0.14 -1.26 -4.85 119.74 118.41 2jtd s LYS 43 Ca -0.03 -0.15 0.15 0.00 -1.36 0.00 0.00 55.97 54.57 2jtd s LYS 43 Cb 0.02 -3.81 0.23 0.00 -1.68 0.00 0.00 37.83 32.59 2jtd s LYS 43 CO 0.25 -0.64 1.12 1.47 -0.76 0.00 0.00 175.35 176.79 2jtd n LEU 44 N 5.74 2.63 -4.93 3.17 -0.00 -1.26 -4.65 117.00 117.70 2jtd n LEU 44 Ca -0.05 -1.39 -0.26 0.00 -0.00 0.00 0.00 56.01 54.32 2jtd n LEU 44 Cb 0.49 -0.12 0.01 0.00 -0.00 0.00 0.00 43.42 43.80 2jtd n LEU 44 CO 0.45 0.56 0.38 -0.55 -0.00 0.00 0.00 177.39 178.23 2jtd s SER 45 N -1.15 6.00 -0.93 1.45 0.15 -1.26 -4.97 113.70 112.99 2jtd s SER 45 Ca 0.23 0.64 -0.25 0.00 0.70 0.00 0.00 55.95 57.27 2jtd s SER 45 Cb 0.14 -1.90 -0.09 0.00 -1.71 0.00 0.00 66.02 62.46 2jtd s SER 45 CO 0.20 -0.68 2.07 -0.44 1.20 0.00 0.00 173.24 175.58 2jtd s SER 46 N -4.17 4.70 0.28 5.45 0.01 -1.26 -4.00 113.70 114.71 2jtd s SER 46 Ca 0.48 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2jtd s SER 46 Cb -0.10 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2jtd s SER 46 CO 0.42 -3.22 0.00 -3.20 0.41 0.00 0.00 173.24 167.65 2jtd n ASN 47 N 15.58 -1.60 -4.53 2.44 5.15 -1.26 -5.02 115.26 126.02 2jtd n ASN 47 Ca 0.43 0.52 -0.42 0.00 -0.60 0.00 0.00 54.58 54.50 2jtd n ASN 47 Cb 0.46 1.64 -0.03 0.00 -0.53 0.00 0.00 39.78 41.32 2jtd n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jtd s ALA 48 N -1.87 2.97 -0.19 5.20 0.00 -1.24 -4.76 121.76 121.88 2jtd s ALA 48 Ca 0.00 -2.48 -0.29 0.00 0.00 0.00 0.00 51.96 49.19 2jtd s ALA 48 Cb 0.00 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 18.74 2jtd s ALA 48 CO 0.00 -3.39 1.04 0.15 0.00 0.00 0.00 175.76 173.57 2jtd s LYS 49 N 4.16 4.31 -0.50 0.00 1.02 -1.23 -4.79 119.74 122.71 2jtd s LYS 49 Ca 0.42 1.39 -0.16 0.00 0.02 0.00 0.00 55.97 57.64 2jtd s LYS 49 Cb -0.01 -3.62 0.09 0.00 -0.52 0.00 0.00 37.83 33.77 2jtd s LYS 49 CO -0.09 -0.54 0.44 0.08 -0.92 0.00 0.00 175.35 174.32 2jtd s VAL 50 N 2.87 5.21 -0.36 3.17 1.01 -1.26 -1.00 120.40 130.04 2jtd s VAL 50 Ca 0.46 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 60.99 2jtd s VAL 50 Cb -0.16 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.03 2jtd s VAL 50 CO 0.10 -0.69 0.99 -0.44 0.00 0.00 0.00 175.10 175.06 2jtd s SER 51 N 2.93 6.76 -0.84 3.32 0.01 0.11 -4.93 113.70 121.05 2jtd s SER 51 Ca 0.04 0.73 -0.25 0.00 1.31 0.00 0.00 55.95 57.78 2jtd s SER 51 Cb -0.26 -2.50 0.01 0.00 0.21 0.00 0.00 66.02 63.48 2jtd s SER 51 CO 0.06 -0.89 1.62 -0.31 0.41 0.00 0.00 173.24 174.13 2jtd s TYR 52 N 3.60 2.11 -0.08 2.43 2.02 -1.26 -2.47 117.35 123.70 2jtd s TYR 52 Ca 0.41 0.05 0.05 0.00 -0.37 0.00 0.00 57.07 57.21 2jtd s TYR 52 Cb -0.12 -4.39 -0.01 0.00 -0.40 0.00 0.00 41.96 37.04 2jtd s TYR 52 CO 0.18 -2.00 -0.23 0.42 -1.57 0.00 0.00 175.55 172.35 2jtd s ILE 53 N 7.30 2.15 -0.18 2.71 -1.09 -1.24 -2.49 121.20 128.36 2jtd s ILE 53 Ca 0.54 -1.01 -0.01 0.00 -2.23 0.00 0.00 60.65 57.94 2jtd s ILE 53 Cb -0.06 -1.81 0.05 0.00 -1.58 0.00 0.00 42.46 39.06 2jtd s ILE 53 CO 0.05 0.56 -0.04 0.12 -1.23 0.00 0.00 174.94 174.40 2jtd s PHE 54 N 0.08 1.78 -1.35 3.97 5.36 0.14 -2.24 117.98 125.72 2jtd s PHE 54 Ca -0.11 -1.21 -0.05 0.00 -0.96 0.00 0.00 56.93 54.61 2jtd s PHE 54 Cb -0.16 -1.34 0.02 0.00 -0.34 0.00 0.00 43.02 41.21 2jtd s PHE 54 CO 0.06 -0.65 0.90 -1.71 -1.46 0.00 0.00 175.22 172.36 2jtd n ASN 55 N 4.85 -3.05 0.00 6.13 2.85 -0.11 -1.48 115.26 124.45 2jtd n ASN 55 Ca -0.12 -0.73 0.00 0.00 -0.11 0.00 0.00 54.58 53.62 2jtd n ASN 55 Cb 0.47 -4.35 0.00 0.00 1.24 0.00 0.00 39.78 37.14 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 -4.47 0.00 -4.08 1.20 1.02 -1.26 -4.98 120.64 108.07 2jtd n GLU 56 Ca -0.16 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.67 2jtd n GLU 56 Cb 0.62 -2.29 -0.07 0.00 -0.02 0.00 0.00 31.44 29.68 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 -0.06 2.77 0.33 3.49 -0.14 -0.55 -5.05 119.74 120.53 2jtd s LYS 57 Ca 0.00 -0.73 -0.26 0.00 -1.36 0.00 0.00 55.97 53.61 2jtd s LYS 57 Cb 0.00 -2.67 -0.10 0.00 -1.68 0.00 0.00 37.83 33.39 2jtd s LYS 57 CO 0.00 0.56 0.97 -1.21 -0.76 0.00 0.00 175.35 174.91 2jtd s GLU 58 N -2.34 4.54 0.17 1.68 2.02 -1.26 0.29 118.70 123.80 2jtd s GLU 58 Ca 0.28 1.40 0.07 0.00 0.02 0.00 0.00 54.97 56.74 2jtd s GLU 58 Cb -0.12 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.25 2jtd s GLU 58 CO 0.20 0.22 0.02 0.96 0.02 0.00 0.00 175.26 176.69 2jtd s ILE 59 N -1.56 3.83 0.28 -1.63 -4.36 -1.04 -4.87 121.20 111.86 2jtd s ILE 59 Ca 0.50 -1.38 0.11 0.00 -0.26 0.00 0.00 60.65 59.62 2jtd s ILE 59 Cb -0.21 -2.93 -0.05 0.00 1.25 0.00 0.00 42.46 40.52 2jtd s ILE 59 CO 0.26 -0.11 -0.14 -0.36 0.24 0.00 0.00 174.94 174.83 2jtd s PHE 60 N -1.74 2.40 -0.40 1.37 0.08 -1.26 -4.98 117.98 113.45 2jtd s PHE 60 Ca 0.28 -0.32 -0.29 0.00 0.12 0.00 0.00 56.93 56.72 2jtd s PHE 60 Cb -0.09 -1.09 -0.00 0.00 -0.57 0.00 0.00 43.02 41.27 2jtd s PHE 60 CO 0.19 0.68 1.56 -2.00 -0.10 0.00 0.00 175.22 175.55 2jtd s GLU 61 N -3.56 3.45 0.00 0.44 2.12 -1.26 -4.68 118.70 115.21 2jtd s GLU 61 Ca 0.31 1.08 0.00 0.00 0.36 0.00 0.00 54.97 56.71 2jtd s GLU 61 Cb -0.05 -4.10 0.00 0.00 0.26 0.00 0.00 34.13 30.24 2jtd s GLU 61 CO 0.16 -1.72 0.00 0.41 -0.54 0.00 0.00 175.26 173.58 2jtd n GLY 62 N 5.23 5.16 0.14 -1.50 0.00 -0.97 -4.98 105.19 108.26 2jtd n GLY 62 Ca 0.19 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 2jtd n GLY 62 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jtd h PRO 63 N 0.00 0.35 0.00 1.61 0.11 -2.02 -3.32 132.00 128.72 2jtd h PRO 63 Ca 0.00 -0.44 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 2jtd h PRO 63 Cb 0.00 0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 2jtd h PRO 63 CO 0.00 1.14 -1.56 1.17 -0.21 0.00 0.00 178.00 178.54 2jtd n LYS 64 N -3.67 0.63 -5.14 1.05 0.00 -1.26 -4.81 118.16 104.96 2jtd n LYS 64 Ca -0.07 0.12 -0.31 0.00 0.00 0.00 0.00 58.31 58.05 2jtd n LYS 64 Cb 0.90 -1.73 -0.17 0.00 0.00 0.00 0.00 35.03 34.03 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 -3.02 2.37 -0.10 5.64 2.02 -1.25 -3.80 117.35 119.20 2jtd s TYR 65 Ca -0.04 -0.89 -0.02 0.00 -0.37 0.00 0.00 57.07 55.75 2jtd s TYR 65 Cb 0.09 -1.58 0.04 0.00 -0.40 0.00 0.00 41.96 40.11 2jtd s TYR 65 CO 0.83 -0.34 0.03 0.21 -1.57 0.00 0.00 175.55 174.71 2jtd s LYS 66 N 0.24 0.37 0.24 -0.62 2.47 -0.73 -2.28 119.74 119.43 2jtd s LYS 66 Ca -0.14 0.05 0.07 0.00 -1.56 0.00 0.00 55.97 54.39 2jtd s LYS 66 Cb -0.16 -1.20 -0.04 0.00 -1.46 0.00 0.00 37.83 34.97 2jtd s LYS 66 CO 0.07 -0.42 0.15 -1.64 0.16 0.00 0.00 175.35 173.66 2jtd s MET 67 N 2.02 2.80 -0.14 4.03 -1.94 -1.26 -0.36 119.30 124.45 2jtd s MET 67 Ca 0.03 -1.11 0.00 0.00 -1.71 0.00 0.00 55.69 52.91 2jtd s MET 67 Cb -0.14 -2.49 0.02 0.00 2.01 0.00 0.00 34.83 34.24 2jtd s MET 67 CO -0.06 0.40 -0.12 -1.58 -0.01 0.00 0.00 175.02 173.66 2jtd s HIS 68 N -2.12 1.96 -0.24 -0.03 2.46 -1.25 -4.97 115.29 111.10 2jtd s HIS 68 Ca 0.32 -1.08 -0.12 0.00 0.47 0.00 0.00 55.06 54.65 2jtd s HIS 68 Cb -0.08 -1.48 -0.05 0.00 -0.13 0.00 0.00 32.58 30.84 2jtd s HIS 68 CO 0.24 -0.62 0.24 -1.50 -2.47 0.00 0.00 174.74 170.62 2jtd s ILE 69 N 1.56 5.30 0.02 0.89 2.07 -1.26 -4.50 121.20 125.28 2jtd s ILE 69 Ca 0.05 0.34 0.06 0.00 -1.41 0.00 0.00 60.65 59.69 2jtd s ILE 69 Cb -0.13 -3.58 -0.02 0.00 0.13 0.00 0.00 42.46 38.87 2jtd s ILE 69 CO -0.10 0.30 -0.18 -0.62 -1.91 0.00 0.00 174.94 172.43 2jtd s ASP 70 N 1.16 2.13 0.00 4.50 2.15 -1.26 -5.01 116.67 120.35 2jtd s ASP 70 Ca 0.11 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 52.67 2jtd s ASP 70 Cb -0.14 -0.20 0.00 0.00 -0.30 0.00 0.00 42.92 42.28 2jtd s ASP 70 CO 0.06 0.16 0.56 0.54 -0.17 0.00 0.00 175.17 176.32 2jtd n ARG 71 N 2.22 -0.50 -0.10 4.34 3.00 -1.26 -4.62 116.66 119.73 2jtd n ARG 71 Ca -0.16 -0.62 -0.18 0.00 -0.01 0.00 0.00 57.85 56.88 2jtd n ARG 71 Cb 0.54 -0.99 -0.07 0.00 0.00 0.00 0.00 32.46 31.93 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 -0.06 1.89 -0.07 0.55 3.02 -1.26 -4.80 115.26 114.53 2jtd n ASN 72 Ca 0.00 0.43 -0.09 0.00 -0.03 0.00 0.00 54.58 54.89 2jtd n ASN 72 Cb 0.03 -0.87 -0.07 0.00 -0.61 0.00 0.00 39.78 38.27 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 -4.43 0.78 -0.29 3.41 -1.04 -1.26 -5.02 114.28 106.44 2jtd n THR 73 Ca -0.30 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 2jtd n THR 73 Cb 0.62 -0.96 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 2.80 1.29 3.32 3.41 0.00 -1.26 -4.89 105.19 109.86 2jtd n GLY 74 Ca -0.24 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 3.59 -0.32 -0.61 -1.09 -1.26 -1.75 121.20 117.75 2jtd s ILE 75 Ca 0.00 -0.59 -0.08 0.00 -2.23 0.00 0.00 60.65 57.75 2jtd s ILE 75 Cb 0.00 -2.73 0.02 0.00 -1.58 0.00 0.00 42.46 38.16 2jtd s ILE 75 CO 0.00 0.28 0.13 -0.63 -1.23 0.00 0.00 174.94 173.49 2jtd s ILE 76 N 1.48 4.17 -0.26 2.92 1.01 -0.60 -4.71 121.20 125.20 2jtd s ILE 76 Ca 0.04 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.86 2jtd s ILE 76 Cb -0.16 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.09 2jtd s ILE 76 CO -0.01 -0.05 0.01 -1.83 0.00 0.00 0.00 174.94 173.06 2jtd s GLU 77 N 1.51 3.23 0.10 2.79 4.04 -1.26 -0.77 118.70 128.34 2jtd s GLU 77 Ca 0.02 -0.74 0.07 0.00 0.04 0.00 0.00 54.97 54.36 2jtd s GLU 77 Cb -0.18 -3.18 -0.04 0.00 0.02 0.00 0.00 34.13 30.75 2jtd s GLU 77 CO 0.04 -0.32 -0.11 1.41 -1.84 0.00 0.00 175.26 174.44 2jtd s MET 78 N 1.48 2.08 -0.15 -4.83 1.75 0.13 -3.76 119.30 116.00 2jtd s MET 78 Ca 0.04 -1.04 -0.03 0.00 -1.25 0.00 0.00 55.69 53.41 2jtd s MET 78 Cb -0.16 -2.28 -0.03 0.00 2.84 0.00 0.00 34.83 35.21 2jtd s MET 78 CO -0.00 0.51 -0.06 -0.06 -0.65 0.00 0.00 175.02 174.75 2jtd s PHE 79 N -1.19 2.98 -0.05 4.11 0.40 0.51 -0.97 117.98 123.77 2jtd s PHE 79 Ca 0.21 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.22 2jtd s PHE 79 Cb -0.11 -1.92 0.01 0.00 0.51 0.00 0.00 43.02 41.51 2jtd s PHE 79 CO 0.13 -0.04 -0.10 -1.64 0.70 0.00 0.00 175.22 174.27 2jtd s MET 80 N 0.28 1.27 0.19 0.44 -1.94 -0.71 -1.77 119.30 117.06 2jtd s MET 80 Ca -0.05 -0.32 0.01 0.00 -1.71 0.00 0.00 55.69 53.63 2jtd s MET 80 Cb -0.14 -1.12 0.01 0.00 2.01 0.00 0.00 34.83 35.59 2jtd s MET 80 CO 0.03 0.04 0.09 0.39 -0.01 0.00 0.00 175.02 175.56 2jtd n GLU 81 N 3.65 1.35 -3.10 2.03 1.02 -1.25 -0.84 120.64 123.51 2jtd n GLU 81 Ca -0.22 -1.30 -0.40 0.00 -0.02 0.00 0.00 57.16 55.23 2jtd n GLU 81 Cb 0.52 0.23 -0.05 0.00 -0.02 0.00 0.00 31.44 32.12 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 -2.76 4.35 0.00 3.49 -0.14 -1.26 -4.88 119.74 118.54 2jtd s LYS 82 Ca 0.06 0.75 0.00 0.00 -1.36 0.00 0.00 55.97 55.42 2jtd s LYS 82 Cb -0.01 -3.49 0.00 0.00 -1.68 0.00 0.00 37.83 32.66 2jtd s LYS 82 CO 0.04 -0.03 0.00 1.28 -0.76 0.00 0.00 175.35 175.88 2jtd n LEU 83 N 4.20 0.00 -4.91 3.17 7.99 -1.26 -5.09 117.00 121.10 2jtd n LEU 83 Ca -0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.69 2jtd n LEU 83 Cb 0.51 0.00 0.13 0.00 -0.11 0.00 0.00 43.42 43.95 2jtd n LEU 83 CO 0.46 0.00 0.83 -1.10 -1.51 0.00 0.00 177.39 176.06 2jtd s GLN 84 N -1.01 1.36 0.58 3.23 -0.21 -1.26 -4.62 119.66 117.73 2jtd s GLN 84 Ca 0.00 -0.12 0.38 0.00 0.02 0.00 0.00 55.36 55.65 2jtd s GLN 84 Cb 0.00 -1.90 2.02 0.00 1.00 0.00 0.00 33.01 34.12 2jtd s GLN 84 CO 0.00 -1.97 2.17 0.38 -2.12 0.00 0.00 175.29 173.75 2jtd h ASP 85 N -1.33 0.00 0.74 5.90 2.03 -1.98 0.21 116.42 121.99 2jtd h ASP 85 Ca -0.45 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 55.64 2jtd h ASP 85 Cb 1.29 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.77 2jtd h ASP 85 CO 0.53 0.00 -0.96 -0.08 -1.03 0.00 0.00 179.24 177.71 2jtd h GLU 86 N 0.00 0.12 0.03 4.15 4.81 -1.98 -3.30 114.58 118.40 2jtd h GLU 86 Ca 0.00 -0.16 -0.30 0.00 -0.13 0.00 0.00 59.36 58.77 2jtd h GLU 86 Cb 0.08 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 2jtd h GLU 86 CO 0.00 0.99 -1.71 -0.44 -0.73 0.00 0.00 179.01 177.12 2jtd h ASP 87 N 0.05 0.09 -2.29 1.04 5.19 -1.30 -3.41 116.42 115.78 2jtd h ASP 87 Ca -0.04 -0.18 -0.67 0.00 -0.62 0.00 0.00 57.03 55.52 2jtd h ASP 87 Cb 1.64 -0.03 -0.16 0.00 0.18 0.00 0.00 39.33 40.96 2jtd h ASP 87 CO 0.14 1.16 0.86 -0.70 -3.12 0.00 0.00 179.24 177.58 2jtd s GLU 88 N -2.60 3.51 0.00 3.56 2.56 0.53 -4.86 118.70 121.40 2jtd s GLU 88 Ca -0.07 -1.51 0.00 0.00 0.00 0.00 0.00 54.97 53.38 2jtd s GLU 88 Cb 0.08 -4.85 0.00 0.00 2.00 0.00 0.00 34.13 31.36 2jtd s GLU 88 CO 0.82 -1.83 0.00 0.41 -0.56 0.00 0.00 175.26 174.09 2jtd n GLY 89 N 5.64 4.02 3.38 -1.50 0.00 -1.04 -4.31 105.19 111.39 2jtd n GLY 89 Ca 0.20 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 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 2.86 5.22 -0.27 2.61 2.01 -1.26 -0.34 115.64 126.46 2jtd s THR 90 Ca 0.00 -1.10 -0.17 0.00 0.31 0.00 0.00 61.69 60.74 2jtd s THR 90 Cb 0.00 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 2jtd s THR 90 CO 0.00 -0.60 0.45 -0.31 -0.69 0.00 0.00 174.62 173.47 2jtd s TYR 91 N 1.64 3.25 -0.25 4.92 2.02 0.36 -0.93 117.35 128.36 2jtd s TYR 91 Ca 0.04 0.49 -0.03 0.00 -0.37 0.00 0.00 57.07 57.20 2jtd s TYR 91 Cb -0.25 -2.67 0.10 0.00 -0.40 0.00 0.00 41.96 38.75 2jtd s TYR 91 CO 0.06 -0.28 0.21 0.99 -1.57 0.00 0.00 175.55 174.96 2jtd s THR 92 N 2.20 -0.26 -0.07 -0.71 2.01 -0.95 -0.35 115.64 117.51 2jtd s THR 92 Ca 0.18 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.65 2jtd s THR 92 Cb -0.16 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 2jtd s THR 92 CO 0.10 -0.43 0.34 -0.36 -0.69 0.00 0.00 174.62 173.58 2jtd s PHE 93 N 2.26 3.62 -0.22 4.92 0.40 -1.13 -3.60 117.98 124.23 2jtd s PHE 93 Ca 0.08 0.80 0.01 0.00 -0.60 0.00 0.00 56.93 57.21 2jtd s PHE 93 Cb -0.15 -2.27 0.03 0.00 0.51 0.00 0.00 43.02 41.14 2jtd s PHE 93 CO -0.24 0.51 -0.14 -1.14 0.70 0.00 0.00 175.22 174.91 2jtd s GLN 94 N -0.51 2.79 -0.23 0.44 0.74 -1.03 -1.60 119.66 120.26 2jtd s GLN 94 Ca 0.20 -0.98 -0.07 0.00 0.05 0.00 0.00 55.36 54.56 2jtd s GLN 94 Cb -0.15 -2.76 -0.03 0.00 1.10 0.00 0.00 33.01 31.17 2jtd s GLN 94 CO 0.09 -0.34 0.07 0.42 -0.55 0.00 0.00 175.29 174.98 2jtd s ILE 95 N 1.26 4.47 -0.35 -2.34 1.01 0.96 0.06 121.20 126.28 2jtd s ILE 95 Ca 0.01 -0.13 -0.26 0.00 0.00 0.00 0.00 60.65 60.27 2jtd s ILE 95 Cb -0.16 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.26 2jtd s ILE 95 CO -0.09 0.37 0.93 -1.58 0.00 0.00 0.00 174.94 174.57 2jtd s GLN 96 N 1.29 3.90 -0.00 2.79 0.74 -0.17 -0.59 119.66 127.62 2jtd s GLN 96 Ca 0.05 0.67 -0.01 0.00 0.05 0.00 0.00 55.36 56.13 2jtd s GLN 96 Cb -0.15 -3.78 -0.00 0.00 1.10 0.00 0.00 33.01 30.18 2jtd s GLN 96 CO 0.04 -0.90 -0.02 -3.47 -0.55 0.00 0.00 175.29 170.39 2jtd n ASP 97 N 6.71 0.13 0.00 6.67 2.03 -1.23 -3.50 116.55 127.36 2jtd n ASP 97 Ca 0.08 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.41 2jtd n ASP 97 Cb 0.48 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 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 2.45 4.53 0.11 0.27 0.00 -1.26 -4.87 105.19 106.41 2jtd n GLY 98 Ca -0.01 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 2jtd n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jtd n LYS 99 N 0.00 0.75 -4.52 1.61 4.76 -1.26 -5.00 118.16 114.50 2jtd n LYS 99 Ca 0.00 0.07 -0.24 0.00 -2.87 0.00 0.00 58.31 55.27 2jtd n LYS 99 Cb 0.00 -1.48 -0.11 0.00 -1.84 0.00 0.00 35.03 31.60 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 -2.47 2.69 -0.24 7.82 0.00 -1.26 -5.13 121.76 123.17 2jtd s ALA 100 Ca -0.22 -2.14 0.01 0.00 0.00 0.00 0.00 51.96 49.61 2jtd s ALA 100 Cb 0.07 0.40 0.04 0.00 0.00 0.00 0.00 23.12 23.63 2jtd s ALA 100 CO 0.66 -0.20 -0.12 0.95 0.00 0.00 0.00 175.76 177.05 2jtd s THR 101 N -3.02 2.33 -1.52 0.00 -4.23 -1.26 -3.56 115.64 104.38 2jtd s THR 101 Ca 0.35 -1.29 -0.12 0.00 -1.18 0.00 0.00 61.69 59.45 2jtd s THR 101 Cb 0.09 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.70 2jtd s THR 101 CO 0.16 0.18 2.55 0.61 -0.54 0.00 0.00 174.62 177.58 2jtd n GLY 102 N 4.55 4.41 3.71 3.99 0.00 0.24 -4.89 105.19 117.19 2jtd n GLY 102 Ca -0.16 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 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 2.36 3.34 -0.23 1.61 -3.43 -1.25 -0.02 115.29 117.66 2jtd s HIS 103 Ca 0.57 0.22 -0.01 0.00 -0.80 0.00 0.00 55.06 55.05 2jtd s HIS 103 Cb 0.16 -2.03 0.06 0.00 -1.43 0.00 0.00 32.58 29.34 2jtd s HIS 103 CO -0.07 0.34 -0.00 0.45 -2.00 0.00 0.00 174.74 173.45 2jtd s SER 104 N -0.07 3.52 -0.28 7.38 0.15 -0.63 -4.99 113.70 118.79 2jtd s SER 104 Ca 0.08 -1.10 -0.12 0.00 0.70 0.00 0.00 55.95 55.50 2jtd s SER 104 Cb -0.12 -0.93 -0.05 0.00 -1.71 0.00 0.00 66.02 63.21 2jtd s SER 104 CO 0.01 -0.28 0.23 -0.89 1.20 0.00 0.00 173.24 173.50 2jtd s THR 105 N 1.58 5.28 -0.06 6.45 2.01 -1.26 -2.82 115.64 126.82 2jtd s THR 105 Ca -0.02 0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.18 2jtd s THR 105 Cb -0.18 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.79 2jtd s THR 105 CO -0.09 0.22 0.05 -0.22 -0.69 0.00 0.00 174.62 173.89 2jtd s LEU 106 N 1.82 0.27 -0.17 4.42 1.98 0.53 -5.02 118.68 122.52 2jtd s LEU 106 Ca 0.09 -0.04 -0.03 0.00 -2.89 0.00 0.00 54.13 51.26 2jtd s LEU 106 Cb -0.16 -0.22 -0.02 0.00 0.66 0.00 0.00 46.19 46.45 2jtd s LEU 106 CO 0.11 -0.25 -0.05 0.54 -1.89 0.00 0.00 176.35 174.81 2jtd s VAL 107 N 2.12 3.64 -0.28 1.68 0.11 -1.26 -0.48 120.40 125.93 2jtd s VAL 107 Ca 0.05 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 2jtd s VAL 107 Cb -0.13 -2.60 0.08 0.00 -1.53 0.00 0.00 36.38 32.20 2jtd s VAL 107 CO -0.04 0.48 0.04 -0.76 -3.33 0.00 0.00 175.10 171.48 2jtd s LEU 108 N 0.67 2.56 -0.03 2.54 1.43 0.54 -4.73 118.68 121.65 2jtd s LEU 108 Ca -0.03 -1.46 -0.01 0.00 -1.03 0.00 0.00 54.13 51.60 2jtd s LEU 108 Cb -0.15 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 45.07 2jtd s LEU 108 CO 0.02 -0.34 0.05 -0.63 0.23 0.00 0.00 176.35 175.68 2jtd s ILE 109 N 1.48 -0.04 0.00 -0.59 1.01 -1.26 -2.49 121.20 119.31 2jtd s ILE 109 Ca 0.04 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.85 2jtd s ILE 109 Cb -0.18 -0.10 0.00 0.00 0.01 0.00 0.00 42.46 42.19 2jtd s ILE 109 CO -0.15 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.47 2jtd n GLY 110 N 3.90 3.08 0.22 6.18 0.00 -1.26 -0.70 105.19 116.61 2jtd n GLY 110 Ca -0.24 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 45.88 2jtd n GLY 110 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jtd h ASP 111 N 0.00 0.00 -0.57 1.61 3.32 -1.99 -2.88 116.42 115.91 2jtd h ASP 111 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2jtd h ASP 111 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2jtd h ASP 111 CO 0.00 0.22 0.29 0.58 -1.72 0.00 0.00 179.24 178.60 2jtd h VAL 112 N 0.00 1.20 -0.16 -1.35 2.07 -1.33 -2.45 116.25 114.22 2jtd h VAL 112 Ca -0.00 -0.54 -0.13 0.00 0.82 0.00 0.00 66.70 66.84 2jtd h VAL 112 Cb 0.77 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2jtd h VAL 112 CO 0.03 0.22 -0.47 0.10 0.02 0.00 0.00 177.57 177.47 2jtd h TYR 113 N 0.77 0.51 0.00 1.57 -0.00 -1.06 -2.47 116.97 116.29 2jtd h TYR 113 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 58.73 58.77 2jtd h TYR 113 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 36.73 36.72 2jtd h TYR 113 CO -0.01 0.82 0.00 1.57 -0.00 0.00 0.00 178.16 180.54 2jtd h LYS 114 N 0.34 0.00 0.30 0.10 5.09 -1.48 0.09 116.57 121.01 2jtd h LYS 114 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.74 2jtd h LYS 114 Cb 0.96 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.29 2jtd h LYS 114 CO 0.08 0.00 -0.15 -0.22 -2.09 0.00 0.00 179.45 177.08 2jtd h LYS 115 N 0.00 -0.39 -0.17 0.07 3.64 -0.96 0.02 116.57 118.77 2jtd h LYS 115 Ca 0.00 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 2jtd h LYS 115 Cb 0.57 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2jtd h LYS 115 CO 0.00 -0.06 -0.28 -0.07 -2.27 0.00 0.00 179.45 176.77 2jtd h LEU 116 N -0.82 0.32 -0.64 5.20 -0.00 -1.37 -2.53 115.31 115.47 2jtd h LEU 116 Ca -0.04 -0.11 -0.15 0.00 -0.00 0.00 0.00 57.88 57.58 2jtd h LEU 116 Cb 0.52 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 2jtd h LEU 116 CO 0.07 0.60 -0.65 1.56 -0.00 0.00 0.00 178.44 180.03 2jtd h GLN 117 N 0.29 0.14 -0.90 1.13 4.20 -1.03 -2.52 115.11 116.43 2jtd h GLN 117 Ca 0.04 -0.11 0.05 0.00 0.06 0.00 0.00 58.65 58.69 2jtd h GLN 117 Cb 0.65 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.39 2jtd h GLN 117 CO 0.05 0.74 0.57 -0.22 -0.67 0.00 0.00 178.83 179.30 2jtd h LYS 118 N 0.10 1.04 0.00 1.46 3.11 -0.56 -1.48 116.57 120.24 2jtd h LYS 118 Ca -0.01 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 2jtd h LYS 118 Cb 1.16 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 32.15 2jtd h LYS 118 CO 0.09 0.69 0.00 0.93 -2.81 0.00 0.00 179.45 178.35 2jtd h GLU 119 N 1.07 0.00 0.00 1.90 4.39 -1.23 -3.33 114.58 117.37 2jtd h GLU 119 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 2jtd h GLU 119 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2jtd h GLU 119 CO -0.15 0.00 -0.04 0.00 -1.16 0.00 0.00 179.01 177.66 2jtd h ALA 120 N 2.16 0.00 -2.65 3.43 0.00 -0.88 -3.44 119.26 117.87 2jtd h ALA 120 Ca 0.00 -0.09 -0.67 0.00 0.00 0.00 0.00 54.91 54.15 2jtd h ALA 120 Cb 0.57 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.23 2jtd h ALA 120 CO 0.00 0.04 -0.36 -1.21 0.00 0.00 0.00 179.25 177.72 2jtd s GLU 121 N -1.21 3.55 0.00 0.00 2.02 -0.82 -5.05 118.70 117.19 2jtd s GLU 121 Ca -0.01 -0.49 0.30 0.00 0.02 0.00 0.00 54.97 54.79 2jtd s GLU 121 Cb 0.00 -3.80 1.46 0.00 0.10 0.00 0.00 34.13 31.89 2jtd s GLU 121 CO 0.02 -0.48 1.97 1.19 0.02 0.00 0.00 175.26 177.98