#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 -1.79 -0.72 3.49 -0.58 -1.26 -4.83 120.64 114.95 2jtd n GLU 2 Ca 0.00 0.89 -0.14 0.00 -0.42 0.00 0.00 57.16 57.49 2jtd n GLU 2 Cb 0.00 -5.47 0.07 0.00 -0.57 0.00 0.00 31.44 25.48 2jtd n GLU 2 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2jtd n GLU 3 N -2.77 1.71 0.06 3.49 0.28 -1.26 -4.54 120.64 117.62 2jtd n GLU 3 Ca -0.20 -1.56 0.09 0.00 -0.16 0.00 0.00 57.16 55.33 2jtd n GLU 3 Cb 0.64 -1.61 0.54 0.00 1.43 0.00 0.00 31.44 32.44 2jtd n GLU 3 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 2jtd h MET 4 N 0.86 0.27 -0.26 3.44 4.05 -1.98 0.62 114.93 121.92 2jtd h MET 4 Ca 0.32 -0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.60 2jtd h MET 4 Cb 1.58 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 32.31 2jtd h MET 4 CO 0.65 0.18 -0.33 1.57 0.23 0.00 0.00 176.91 179.20 2jtd h LYS 5 N 0.28 0.56 0.00 0.39 2.10 -2.01 -2.46 116.57 115.43 2jtd h LYS 5 Ca 0.14 -0.25 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2jtd h LYS 5 Cb 0.22 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 2jtd h LYS 5 CO -0.03 0.82 -0.06 0.00 -2.00 0.00 0.00 179.45 178.18 2jtd h ARG 6 N 0.48 0.00 -0.06 0.07 3.08 -1.46 -3.29 114.38 113.20 2jtd h ARG 6 Ca 0.05 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.12 2jtd h ARG 6 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 2jtd h ARG 6 CO 0.07 0.00 0.09 1.25 -1.07 0.00 0.00 179.97 180.31 2jtd h LEU 7 N 0.00 0.00 -0.67 3.04 5.85 -0.45 -2.01 115.31 121.07 2jtd h LEU 7 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jtd h LEU 7 Cb 0.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2jtd h LEU 7 CO 0.00 0.00 0.20 0.18 -0.34 0.00 0.00 178.44 178.48 2jtd n LEU 8 N -3.59 0.26 -0.12 2.25 7.99 -1.24 -1.42 117.00 121.13 2jtd n LEU 8 Ca -0.01 0.52 -0.04 0.00 -0.01 0.00 0.00 56.01 56.46 2jtd n LEU 8 Cb 0.18 -0.50 0.02 0.00 -0.11 0.00 0.00 43.42 43.01 2jtd n LEU 8 CO 0.25 -0.61 0.82 0.00 -1.51 0.00 0.00 177.39 176.34 2jtd h ALA 9 N 1.38 0.33 -1.87 -1.18 0.00 -1.66 -3.24 119.26 113.02 2jtd h ALA 9 Ca 0.00 0.13 -0.70 0.00 0.00 0.00 0.00 54.91 54.35 2jtd h ALA 9 Cb 0.41 0.24 -0.17 0.00 0.00 0.00 0.00 17.79 18.27 2jtd h ALA 9 CO 0.00 -0.42 0.93 -1.17 0.00 0.00 0.00 179.25 178.59 2jtd s LEU 10 N -10.55 5.03 -0.04 0.00 1.98 -0.51 -4.59 118.68 110.00 2jtd s LEU 10 Ca -0.14 -2.19 -0.22 0.00 -2.89 0.00 0.00 54.13 48.69 2jtd s LEU 10 Cb 0.14 -2.40 -0.28 0.00 0.66 0.00 0.00 46.19 44.31 2jtd s LEU 10 CO 0.71 -1.02 0.96 -1.28 -1.89 0.00 0.00 176.35 173.83 2jtd h SER 11 N 8.57 0.46 -4.35 3.68 0.87 -1.80 -3.49 113.55 117.49 2jtd h SER 11 Ca 0.18 -0.89 0.04 0.00 -1.23 0.00 0.00 61.79 59.90 2jtd h SER 11 Cb 1.00 -0.15 -0.22 0.00 -0.44 0.00 0.00 62.40 62.59 2jtd h SER 11 CO 1.13 1.30 0.45 0.00 -0.53 0.00 0.00 176.83 179.19 2jtd s GLN 12 N -2.69 0.72 -0.39 2.24 -2.07 -1.26 -5.03 119.66 111.17 2jtd s GLN 12 Ca -0.14 0.18 0.06 0.00 -1.82 0.00 0.00 55.36 53.64 2jtd s GLN 12 Cb 0.01 0.34 0.63 0.00 -1.09 0.00 0.00 33.01 32.90 2jtd s GLN 12 CO 0.82 -0.22 1.78 -0.85 -1.32 0.00 0.00 175.29 175.49 2jtd n GLU 13 N 0.78 2.26 -3.35 9.60 0.00 -1.26 -4.73 120.64 123.94 2jtd n GLU 13 Ca -0.13 -3.07 -0.31 0.00 0.00 0.00 0.00 57.16 53.66 2jtd n GLU 13 Cb 0.58 -2.08 -0.06 0.00 0.00 0.00 0.00 31.44 29.88 2jtd n GLU 13 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2jtd n HIS 14 N -1.05 3.35 -3.04 -1.84 -0.00 -1.26 -5.01 115.22 106.37 2jtd n HIS 14 Ca 0.50 -3.81 -0.43 0.00 0.46 0.00 0.00 57.72 54.44 2jtd n HIS 14 Cb 1.46 -0.73 -0.06 0.00 -0.12 0.00 0.00 29.99 30.54 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 -2.50 3.27 0.00 1.57 2.47 -1.26 -4.96 119.74 118.33 2jtd s LYS 15 Ca 0.37 -0.44 -0.25 0.00 -1.56 0.00 0.00 55.97 54.10 2jtd s LYS 15 Cb 0.12 -4.01 -0.17 0.00 -1.46 0.00 0.00 37.83 32.31 2jtd s LYS 15 CO 0.01 -1.18 1.23 0.35 0.16 0.00 0.00 175.35 175.92 2jtd h PHE 16 N 9.02 -0.26 -3.00 4.03 3.57 -2.02 -3.41 116.94 124.86 2jtd h PHE 16 Ca -0.26 -0.01 -0.55 0.00 3.53 0.00 0.00 57.97 60.68 2jtd h PHE 16 Cb 1.09 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 2jtd h PHE 16 CO 0.78 0.09 0.77 -1.25 -2.23 0.00 0.00 178.31 176.48 2jtd s PRO 17 N -4.53 4.31 0.35 6.41 0.04 -1.26 -5.01 135.00 135.31 2jtd s PRO 17 Ca -0.14 1.76 0.06 0.00 0.04 0.00 0.00 61.00 62.72 2jtd s PRO 17 Cb 0.02 -3.60 -0.03 0.00 0.04 0.00 0.00 34.50 30.93 2jtd s PRO 17 CO 0.57 -0.53 0.23 -0.08 0.04 0.00 0.00 177.00 177.23 2jtd s THR 18 N 2.48 0.17 0.58 1.26 -1.32 -1.26 -5.08 115.64 112.46 2jtd s THR 18 Ca 0.58 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 59.12 2jtd s THR 18 Cb -0.26 -2.44 0.07 0.00 -1.51 0.00 0.00 72.50 68.36 2jtd s THR 18 CO 0.22 0.00 0.80 0.68 -2.21 0.00 0.00 174.62 174.11 2jtd s VAL 19 N -3.39 2.39 0.06 5.08 -7.23 -1.26 -4.99 120.40 111.07 2jtd s VAL 19 Ca 0.35 -0.84 -0.08 0.00 -1.81 0.00 0.00 61.98 59.60 2jtd s VAL 19 Cb 0.02 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.44 2jtd s VAL 19 CO 0.23 0.00 0.50 -2.65 -0.31 0.00 0.00 175.10 172.88 2jtd n PRO 20 N -2.34 -0.11 0.00 4.82 -0.02 -1.26 -4.12 135.00 131.98 2jtd n PRO 20 Ca 0.13 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2jtd n PRO 20 Cb 0.60 -0.73 0.00 0.00 -0.02 0.00 0.00 33.50 33.35 2jtd n PRO 20 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2jtd n THR 21 N -4.45 0.00 -1.97 3.45 -1.04 -1.26 -5.03 114.28 103.98 2jtd n THR 21 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2jtd n THR 21 Cb 0.11 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2jtd n THR 21 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2jtd n LYS 22 N 0.00 0.00 -3.27 -2.82 4.76 -1.26 -5.03 118.16 110.54 2jtd n LYS 22 Ca 0.00 -0.06 -0.45 0.00 -2.87 0.00 0.00 58.31 54.93 2jtd n LYS 22 Cb 0.00 -0.04 0.00 0.00 -1.84 0.00 0.00 35.03 33.15 2jtd n LYS 22 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2jtd n SER 23 N 0.00 5.49 -4.69 4.39 3.41 -1.25 -4.21 113.62 116.76 2jtd n SER 23 Ca 0.00 -3.04 -0.39 0.00 -0.26 0.00 0.00 58.87 55.18 2jtd n SER 23 Cb 0.51 -1.41 -0.06 0.00 -0.26 0.00 0.00 64.21 62.99 2jtd n SER 23 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2jtd s GLU 24 N -0.86 4.31 -0.39 4.33 2.56 -0.23 -4.83 118.70 123.59 2jtd s GLU 24 Ca 0.33 0.65 -0.11 0.00 0.00 0.00 0.00 54.97 55.84 2jtd s GLU 24 Cb -0.09 -3.50 0.04 0.00 2.00 0.00 0.00 34.13 32.59 2jtd s GLU 24 CO -0.06 -0.04 0.24 -1.17 -0.56 0.00 0.00 175.26 173.66 2jtd s LEU 25 N 1.24 4.90 -0.39 2.70 1.98 -1.26 -0.52 118.68 127.33 2jtd s LEU 25 Ca 0.30 -1.15 -0.06 0.00 -2.89 0.00 0.00 54.13 50.33 2jtd s LEU 25 Cb -0.16 -2.03 0.08 0.00 0.66 0.00 0.00 46.19 44.74 2jtd s LEU 25 CO 0.13 -0.45 0.19 0.00 -1.89 0.00 0.00 176.35 174.33 2jtd s ALA 26 N 1.53 3.16 -0.23 5.97 0.00 0.09 -5.02 121.76 127.26 2jtd s ALA 26 Ca 0.02 -2.13 -0.03 0.00 0.00 0.00 0.00 51.96 49.82 2jtd s ALA 26 Cb -0.20 -2.44 0.01 0.00 0.00 0.00 0.00 23.12 20.48 2jtd s ALA 26 CO 0.06 -1.59 -0.05 0.54 0.00 0.00 0.00 175.76 174.72 2jtd s VAL 27 N 1.33 3.14 -0.18 0.00 0.11 -1.26 -1.39 120.40 122.16 2jtd s VAL 27 Ca 0.02 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 2jtd s VAL 27 Cb -0.22 -2.49 0.01 0.00 -1.53 0.00 0.00 36.38 32.15 2jtd s VAL 27 CO 0.00 0.33 -0.18 -0.70 -3.33 0.00 0.00 175.10 171.22 2jtd s GLU 28 N 1.41 3.05 -0.19 1.54 2.12 0.12 -4.99 118.70 121.77 2jtd s GLU 28 Ca 0.04 -0.80 -0.17 0.00 0.36 0.00 0.00 54.97 54.39 2jtd s GLU 28 Cb -0.15 -2.62 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 2jtd s GLU 28 CO -0.04 -0.18 0.47 0.42 -0.54 0.00 0.00 175.26 175.38 2jtd s ILE 29 N 1.25 5.15 -0.15 -3.70 1.01 -1.26 -0.03 121.20 123.48 2jtd s ILE 29 Ca 0.04 0.86 -0.07 0.00 0.00 0.00 0.00 60.65 61.48 2jtd s ILE 29 Cb -0.13 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2jtd s ILE 29 CO -0.10 0.23 0.09 -0.76 0.00 0.00 0.00 174.94 174.40 2jtd s LEU 30 N 1.34 4.07 0.00 2.97 2.01 0.33 -4.20 118.68 125.20 2jtd s LEU 30 Ca 0.23 0.26 0.28 0.00 0.01 0.00 0.00 54.13 54.91 2jtd s LEU 30 Cb -0.15 -2.01 1.54 0.00 0.01 0.00 0.00 46.19 45.59 2jtd s LEU 30 CO 0.09 0.29 2.01 -1.84 1.01 0.00 0.00 176.35 177.91 2jtd n GLU 31 N 2.78 0.61 0.00 1.70 -0.00 -1.26 -2.35 120.64 122.12 2jtd n GLU 31 Ca -0.18 0.01 0.04 0.00 -0.00 0.00 0.00 57.16 57.04 2jtd n GLU 31 Cb 0.53 -1.50 0.20 0.00 -0.00 0.00 0.00 31.44 30.67 2jtd n GLU 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2jtd n LYS 32 N -1.17 0.03 -0.56 3.44 4.76 -1.26 -4.80 118.16 118.60 2jtd n LYS 32 Ca 0.17 0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 2jtd n LYS 32 Cb 0.17 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 2jtd n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jtd n GLY 33 N -0.56 1.28 3.12 0.72 0.00 -0.99 -5.10 105.19 103.67 2jtd n GLY 33 Ca 0.03 -0.19 -0.08 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 -1.48 0.69 -0.06 1.61 -1.52 -1.05 -4.46 119.66 113.38 2jtd s GLN 34 Ca 0.00 -1.17 0.00 0.00 -1.95 0.00 0.00 55.36 52.24 2jtd s GLN 34 Cb 0.00 0.25 0.02 0.00 -0.22 0.00 0.00 33.01 33.06 2jtd s GLN 34 CO 0.00 -0.16 -0.04 0.54 -0.25 0.00 0.00 175.29 175.38 2jtd s VAL 35 N -3.91 0.57 -0.24 1.09 0.11 -1.14 -0.51 120.40 116.36 2jtd s VAL 35 Ca 0.07 -0.08 -0.09 0.00 -2.93 0.00 0.00 61.98 58.95 2jtd s VAL 35 Cb 0.07 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 2jtd s VAL 35 CO -0.10 0.26 0.13 -0.60 -3.33 0.00 0.00 175.10 171.46 2jtd s ARG 36 N 1.30 3.94 -0.08 1.54 3.52 0.96 -3.11 118.95 127.01 2jtd s ARG 36 Ca -0.05 -0.34 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 2jtd s ARG 36 Cb -0.14 -3.45 0.02 0.00 -1.56 0.00 0.00 34.95 29.83 2jtd s ARG 36 CO -0.02 0.01 -0.07 0.12 -0.81 0.00 0.00 175.30 174.52 2jtd s PHE 37 N 1.17 1.18 0.06 5.12 5.36 -0.98 0.13 117.98 130.02 2jtd s PHE 37 Ca 0.06 -0.47 -0.15 0.00 -0.96 0.00 0.00 56.93 55.41 2jtd s PHE 37 Cb -0.14 -0.99 0.03 0.00 -0.34 0.00 0.00 43.02 41.58 2jtd s PHE 37 CO 0.05 -0.34 0.35 1.67 -1.46 0.00 0.00 175.22 175.48 2jtd s TRP 38 N 1.25 -0.15 0.01 10.12 1.48 -0.48 -0.10 118.94 131.07 2jtd s TRP 38 Ca -0.05 -0.00 0.01 0.00 -1.06 0.00 0.00 56.10 55.00 2jtd s TRP 38 Cb -0.14 0.15 -0.01 0.00 -1.16 0.00 0.00 33.47 32.31 2jtd s TRP 38 CO -0.02 -0.56 -0.03 0.00 -4.06 0.00 0.00 176.95 172.27 2jtd s MET 39 N -2.82 0.27 -0.21 3.25 0.23 0.96 -0.73 119.30 120.24 2jtd s MET 39 Ca -0.03 -0.37 -0.07 0.00 -1.03 0.00 0.00 55.69 54.19 2jtd s MET 39 Cb 0.00 -0.08 -0.03 0.00 -1.53 0.00 0.00 34.83 33.18 2jtd s MET 39 CO -0.05 0.01 0.06 -0.65 -2.03 0.00 0.00 175.02 172.36 2jtd s GLN 40 N -0.78 3.81 -0.05 3.16 -0.21 0.32 -2.39 119.66 123.51 2jtd s GLN 40 Ca -0.07 -0.42 0.04 0.00 0.02 0.00 0.00 55.36 54.93 2jtd s GLN 40 Cb -0.05 -3.24 -0.02 0.00 1.00 0.00 0.00 33.01 30.70 2jtd s GLN 40 CO -0.00 0.07 -0.16 0.00 -2.12 0.00 0.00 175.29 173.08 2jtd s ALA 41 N 0.91 2.58 0.10 6.09 0.00 -0.14 -1.07 121.76 130.23 2jtd s ALA 41 Ca 0.03 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.07 2jtd s ALA 41 Cb -0.14 -0.93 -0.22 0.00 0.00 0.00 0.00 23.12 21.83 2jtd s ALA 41 CO 0.03 0.52 1.20 1.05 0.00 0.00 0.00 175.76 178.55 2jtd h GLU 42 N 5.53 0.03 -2.49 0.00 -0.00 -1.85 -3.42 114.58 112.38 2jtd h GLU 42 Ca -0.43 -0.05 -0.32 0.00 -0.00 0.00 0.00 59.36 58.56 2jtd h GLU 42 Cb 1.16 0.02 -0.36 0.00 -0.00 0.00 0.00 28.75 29.57 2jtd h GLU 42 CO 0.50 0.97 -0.63 -1.59 -0.00 0.00 0.00 179.01 178.26 2jtd s LYS 43 N -2.69 0.20 0.00 1.06 0.00 -1.26 -4.99 119.74 112.06 2jtd s LYS 43 Ca -0.00 0.17 0.11 0.00 0.00 0.00 0.00 55.97 56.25 2jtd s LYS 43 Cb 0.09 -1.16 -0.09 0.00 0.00 0.00 0.00 37.83 36.68 2jtd s LYS 43 CO 0.83 -0.69 0.54 -0.11 0.00 0.00 0.00 175.35 175.91 2jtd n LEU 44 N 5.32 0.75 -4.63 2.77 -0.00 -1.26 -4.36 117.00 115.58 2jtd n LEU 44 Ca -0.05 -0.57 -0.43 0.00 -0.00 0.00 0.00 56.01 54.96 2jtd n LEU 44 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.89 2jtd n LEU 44 CO 0.08 0.17 1.03 -0.55 -0.00 0.00 0.00 177.39 178.11 2jtd s SER 45 N -1.91 6.82 0.00 1.96 0.15 -1.26 -4.28 113.70 115.18 2jtd s SER 45 Ca 0.06 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.78 2jtd s SER 45 Cb 0.09 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2jtd s SER 45 CO 0.41 -0.98 0.00 -1.20 1.20 0.00 0.00 173.24 172.68 2jtd n SER 46 N 7.20 0.00 -3.35 5.45 7.64 -1.26 -4.84 113.62 124.46 2jtd n SER 46 Ca 0.13 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.90 2jtd n SER 46 Cb 0.47 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.69 2jtd n SER 46 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jtd n ASN 47 N 2.09 1.38 -2.54 6.43 2.85 -1.26 -4.91 115.26 119.29 2jtd n ASN 47 Ca 0.00 -1.80 -0.04 0.00 -0.11 0.00 0.00 54.58 52.63 2jtd n ASN 47 Cb 0.00 -0.11 0.00 0.00 1.24 0.00 0.00 39.78 40.91 2jtd n ASN 47 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jtd n ALA 48 N -2.58 -3.17 -2.59 5.20 0.00 -1.26 -4.48 120.51 111.63 2jtd n ALA 48 Ca -0.07 0.73 -0.43 0.00 0.00 0.00 0.00 53.44 53.67 2jtd n ALA 48 Cb 0.29 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.55 2jtd n ALA 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2jtd s LYS 49 N -1.90 3.83 -0.39 0.00 2.20 -1.08 -4.84 119.74 117.56 2jtd s LYS 49 Ca 0.12 0.76 -0.14 0.00 -0.36 0.00 0.00 55.97 56.36 2jtd s LYS 49 Cb -0.03 -3.86 0.01 0.00 -1.51 0.00 0.00 37.83 32.44 2jtd s LYS 49 CO 0.63 -1.24 0.27 0.08 -0.36 0.00 0.00 175.35 174.74 2jtd s VAL 50 N 4.26 5.20 -0.28 4.02 1.01 -1.26 -0.81 120.40 132.53 2jtd s VAL 50 Ca 0.48 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 61.68 2jtd s VAL 50 Cb -0.09 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 2jtd s VAL 50 CO 0.26 -0.22 0.75 -0.44 0.00 0.00 0.00 175.10 175.45 2jtd s SER 51 N 1.68 6.66 -0.94 3.32 0.01 0.53 -4.95 113.70 120.01 2jtd s SER 51 Ca 0.05 0.73 -0.18 0.00 1.31 0.00 0.00 55.95 57.86 2jtd s SER 51 Cb -0.19 -2.39 0.15 0.00 0.21 0.00 0.00 66.02 63.80 2jtd s SER 51 CO 0.10 -0.52 1.10 -0.31 0.41 0.00 0.00 173.24 174.01 2jtd s TYR 52 N 2.79 3.24 -0.20 2.43 2.02 -1.26 -2.78 117.35 123.60 2jtd s TYR 52 Ca 0.31 -1.54 -0.05 0.00 -0.37 0.00 0.00 57.07 55.42 2jtd s TYR 52 Cb -0.15 -4.22 -0.02 0.00 -0.40 0.00 0.00 41.96 37.17 2jtd s TYR 52 CO 0.10 -1.41 -0.00 0.42 -1.57 0.00 0.00 175.55 173.09 2jtd s ILE 53 N 2.24 3.95 -0.13 2.71 -1.09 -0.87 -3.02 121.20 125.00 2jtd s ILE 53 Ca 0.31 -0.31 -0.01 0.00 -2.23 0.00 0.00 60.65 58.41 2jtd s ILE 53 Cb -0.05 -2.78 0.04 0.00 -1.58 0.00 0.00 42.46 38.08 2jtd s ILE 53 CO -0.09 0.43 -0.03 0.12 -1.23 0.00 0.00 174.94 174.14 2jtd s PHE 54 N 0.93 1.28 -1.62 3.97 5.36 0.12 0.18 117.98 128.19 2jtd s PHE 54 Ca 0.01 -0.72 -0.03 0.00 -0.96 0.00 0.00 56.93 55.23 2jtd s PHE 54 Cb -0.14 -1.12 0.00 0.00 -0.34 0.00 0.00 43.02 41.42 2jtd s PHE 54 CO 0.02 -0.51 0.45 -1.71 -1.46 0.00 0.00 175.22 172.00 2jtd n ASN 55 N 4.99 -6.08 -0.54 6.13 2.85 -0.49 -0.93 115.26 121.19 2jtd n ASN 55 Ca -0.10 -0.22 -0.07 0.00 -0.11 0.00 0.00 54.58 54.08 2jtd n ASN 55 Cb 0.49 -4.95 -0.03 0.00 1.24 0.00 0.00 39.78 36.53 2jtd n ASN 55 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2jtd n GLU 56 N -3.77 -0.89 -4.49 1.20 1.02 -1.26 -5.00 120.64 107.45 2jtd n GLU 56 Ca -0.15 0.66 -0.24 0.00 -0.02 0.00 0.00 57.16 57.41 2jtd n GLU 56 Cb 0.64 -4.57 -0.10 0.00 -0.02 0.00 0.00 31.44 27.38 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 -2.25 1.71 0.09 3.49 -0.14 -0.11 -5.08 119.74 117.45 2jtd s LYS 57 Ca 0.00 -1.84 -0.17 0.00 -1.36 0.00 0.00 55.97 52.60 2jtd s LYS 57 Cb 0.00 -1.63 -0.07 0.00 -1.68 0.00 0.00 37.83 34.46 2jtd s LYS 57 CO 0.00 0.20 0.54 -1.21 -0.76 0.00 0.00 175.35 174.12 2jtd s GLU 58 N -3.59 4.08 0.12 1.68 2.02 -1.26 0.11 118.70 121.86 2jtd s GLU 58 Ca 0.31 0.60 0.06 0.00 0.02 0.00 0.00 54.97 55.95 2jtd s GLU 58 Cb -0.00 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 2jtd s GLU 58 CO 0.15 0.59 -0.00 0.96 0.02 0.00 0.00 175.26 176.98 2jtd s ILE 59 N -1.23 3.90 0.17 -1.63 -4.36 -1.17 -4.91 121.20 111.97 2jtd s ILE 59 Ca 0.31 -1.13 0.05 0.00 -0.26 0.00 0.00 60.65 59.61 2jtd s ILE 59 Cb -0.17 -2.89 -0.05 0.00 1.25 0.00 0.00 42.46 40.60 2jtd s ILE 59 CO 0.18 0.05 -0.09 -0.36 0.24 0.00 0.00 174.94 174.96 2jtd s PHE 60 N -1.43 1.36 0.52 1.37 0.40 -1.26 -5.01 117.98 113.93 2jtd s PHE 60 Ca 0.26 -0.78 -0.21 0.00 -0.60 0.00 0.00 56.93 55.60 2jtd s PHE 60 Cb -0.11 -0.71 -0.06 0.00 0.51 0.00 0.00 43.02 42.66 2jtd s PHE 60 CO 0.18 0.08 1.20 -2.00 0.70 0.00 0.00 175.22 175.39 2jtd s GLU 61 N -3.76 3.39 0.00 0.44 2.12 -1.26 -4.73 118.70 114.90 2jtd s GLU 61 Ca 0.19 1.84 0.00 0.00 0.36 0.00 0.00 54.97 57.37 2jtd s GLU 61 Cb 0.03 -2.20 0.00 0.00 0.26 0.00 0.00 34.13 32.22 2jtd s GLU 61 CO 0.03 -0.87 0.00 0.41 -0.54 0.00 0.00 175.26 174.29 2jtd n GLY 62 N 0.46 1.70 0.13 -1.50 0.00 -0.81 -4.94 105.19 100.24 2jtd n GLY 62 Ca 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.11 1.61 0.13 -2.03 -3.33 132.00 128.49 2jtd h PRO 63 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.81 2jtd h PRO 63 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2jtd h PRO 63 CO 0.00 0.64 -1.72 -0.22 -0.23 0.00 0.00 178.00 176.47 2jtd h LYS 64 N 0.00 0.23 -6.38 0.86 3.11 -1.94 -3.47 116.57 108.98 2jtd h LYS 64 Ca -0.01 -0.39 -0.66 0.00 -2.81 0.00 0.00 60.65 56.79 2jtd h LYS 64 Cb 1.29 0.14 -0.13 0.00 -1.00 0.00 0.00 32.23 32.53 2jtd h LYS 64 CO 0.08 1.19 -0.68 0.71 -2.81 0.00 0.00 179.45 177.94 2jtd s TYR 65 N -2.51 2.93 -0.13 1.91 2.02 -1.25 -3.07 117.35 117.24 2jtd s TYR 65 Ca -0.22 -0.05 -0.04 0.00 -0.37 0.00 0.00 57.07 56.39 2jtd s TYR 65 Cb 0.06 -1.53 0.07 0.00 -0.40 0.00 0.00 41.96 40.16 2jtd s TYR 65 CO 0.75 0.45 0.21 0.21 -1.57 0.00 0.00 175.55 175.60 2jtd s LYS 66 N -2.14 0.12 -0.02 -0.62 2.47 -0.85 -1.93 119.74 116.77 2jtd s LYS 66 Ca 0.23 0.53 -0.08 0.00 -1.56 0.00 0.00 55.97 55.09 2jtd s LYS 66 Cb -0.11 -0.45 0.01 0.00 -1.46 0.00 0.00 37.83 35.81 2jtd s LYS 66 CO 0.16 -0.40 0.18 0.00 0.16 0.00 0.00 175.35 175.44 2jtd s MET 67 N 2.35 0.42 -0.04 4.03 0.23 -1.26 0.12 119.30 125.15 2jtd s MET 67 Ca 0.04 -0.15 0.03 0.00 -1.03 0.00 0.00 55.69 54.57 2jtd s MET 67 Cb -0.13 0.18 0.00 0.00 -1.53 0.00 0.00 34.83 33.35 2jtd s MET 67 CO -0.08 -0.09 -0.12 -1.01 -2.03 0.00 0.00 175.02 171.68 2jtd s HIS 68 N -0.88 1.31 -0.31 3.16 3.76 -0.32 -4.99 115.29 117.02 2jtd s HIS 68 Ca -0.10 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.45 2jtd s HIS 68 Cb -0.05 -0.92 0.07 0.00 1.11 0.00 0.00 32.58 32.79 2jtd s HIS 68 CO 0.01 -0.15 -0.00 -1.50 -0.85 0.00 0.00 174.74 172.25 2jtd s ILE 69 N 0.22 2.54 -0.43 0.60 2.07 -1.26 -1.60 121.20 123.33 2jtd s ILE 69 Ca -0.05 -1.82 -0.18 0.00 -1.41 0.00 0.00 60.65 57.19 2jtd s ILE 69 Cb -0.11 -2.62 0.03 0.00 0.13 0.00 0.00 42.46 39.89 2jtd s ILE 69 CO 0.02 -0.28 0.48 -0.62 -1.91 0.00 0.00 174.94 172.62 2jtd s ASP 70 N 1.17 6.21 0.00 4.50 -1.08 0.28 -4.90 116.67 122.85 2jtd s ASP 70 Ca -0.01 -0.69 0.18 0.00 -0.52 0.00 0.00 52.55 51.51 2jtd s ASP 70 Cb -0.20 -2.24 0.70 0.00 -1.46 0.00 0.00 42.92 39.72 2jtd s ASP 70 CO -0.05 -0.64 1.50 -2.11 0.52 0.00 0.00 175.17 174.39 2jtd n ARG 71 N 5.72 1.58 0.01 4.34 0.00 -1.26 -1.38 116.66 125.67 2jtd n ARG 71 Ca -0.07 -0.87 -0.20 0.00 -0.00 0.00 0.00 57.85 56.71 2jtd n ARG 71 Cb 0.47 -1.34 -0.14 0.00 -0.00 0.00 0.00 32.46 31.45 2jtd n ARG 71 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2jtd h ASN 72 N 1.68 0.39 0.00 2.89 2.35 -1.95 -3.41 115.58 117.54 2jtd h ASN 72 Ca 0.00 -0.82 -0.19 0.00 -0.55 0.00 0.00 56.30 54.74 2jtd h ASN 72 Cb 0.37 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 2jtd h ASN 72 CO 0.00 1.73 -1.71 0.35 -1.65 0.00 0.00 177.43 176.15 2jtd n THR 73 N -3.44 0.70 0.00 2.81 -2.24 -1.25 -5.03 114.28 105.83 2jtd n THR 73 Ca -0.28 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 2jtd n THR 73 Cb 1.05 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 2.35 1.82 3.43 3.38 0.00 -0.48 -4.85 105.19 110.84 2jtd n GLY 74 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 3.71 -0.12 -0.61 -1.09 -0.91 -0.97 121.20 119.21 2jtd s ILE 75 Ca 0.00 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.03 2jtd s ILE 75 Cb 0.00 -2.65 0.01 0.00 -1.58 0.00 0.00 42.46 38.25 2jtd s ILE 75 CO 0.00 0.46 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.38 2jtd s ILE 76 N 0.77 1.57 0.08 2.92 1.01 -1.01 -0.56 121.20 125.98 2jtd s ILE 76 Ca -0.01 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 60.01 2jtd s ILE 76 Cb -0.15 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 2jtd s ILE 76 CO 0.02 0.46 -0.15 -1.83 0.00 0.00 0.00 174.94 173.43 2jtd s GLU 77 N 1.00 0.87 -0.13 2.79 4.04 -0.63 -0.03 118.70 126.61 2jtd s GLU 77 Ca -0.06 -0.99 -0.07 0.00 0.04 0.00 0.00 54.97 53.89 2jtd s GLU 77 Cb -0.15 -0.92 0.05 0.00 0.02 0.00 0.00 34.13 33.13 2jtd s GLU 77 CO -0.02 0.21 0.32 1.41 -1.84 0.00 0.00 175.26 175.33 2jtd s MET 78 N -1.77 0.29 -0.21 -4.83 1.75 0.86 -1.17 119.30 114.23 2jtd s MET 78 Ca -0.01 0.63 -0.05 0.00 -1.25 0.00 0.00 55.69 55.02 2jtd s MET 78 Cb -0.10 -0.06 -0.02 0.00 2.84 0.00 0.00 34.83 37.49 2jtd s MET 78 CO 0.03 -0.15 -0.02 0.12 -0.65 0.00 0.00 175.02 174.35 2jtd s PHE 79 N 1.24 3.00 0.01 4.11 5.36 0.12 -2.31 117.98 129.51 2jtd s PHE 79 Ca -0.09 -0.64 0.08 0.00 -0.96 0.00 0.00 56.93 55.33 2jtd s PHE 79 Cb -0.09 -2.09 -0.02 0.00 -0.34 0.00 0.00 43.02 40.47 2jtd s PHE 79 CO -0.10 -0.36 -0.25 -1.64 -1.46 0.00 0.00 175.22 171.41 2jtd s MET 80 N 1.20 1.88 0.35 10.12 -1.94 -1.18 -2.00 119.30 127.73 2jtd s MET 80 Ca 0.03 -0.99 0.05 0.00 -1.71 0.00 0.00 55.69 53.07 2jtd s MET 80 Cb -0.15 -1.93 -0.03 0.00 2.01 0.00 0.00 34.83 34.73 2jtd s MET 80 CO 0.00 0.52 0.19 -1.83 -0.01 0.00 0.00 175.02 173.89 2jtd s GLU 81 N -0.90 1.76 -0.10 2.03 -1.05 -1.17 -2.89 118.70 116.38 2jtd s GLU 81 Ca 0.10 -2.04 -0.22 0.00 -0.15 0.00 0.00 54.97 52.67 2jtd s GLU 81 Cb -0.10 -0.11 -0.03 0.00 -0.44 0.00 0.00 34.13 33.44 2jtd s GLU 81 CO 0.00 -0.53 0.65 -1.59 0.95 0.00 0.00 175.26 174.74 2jtd s LYS 82 N -3.65 4.37 -0.02 -4.83 0.00 -1.26 -4.86 119.74 109.48 2jtd s LYS 82 Ca 0.33 0.75 -0.05 0.00 0.00 0.00 0.00 55.97 57.00 2jtd s LYS 82 Cb 0.03 -3.47 -0.02 0.00 0.00 0.00 0.00 37.83 34.37 2jtd s LYS 82 CO 0.20 0.02 -0.11 -0.11 0.00 0.00 0.00 175.35 175.35 2jtd n LEU 83 N 4.03 0.92 -4.44 2.77 -0.00 -1.26 -5.07 117.00 113.95 2jtd n LEU 83 Ca -0.02 0.14 -0.23 0.00 -0.00 0.00 0.00 56.01 55.90 2jtd n LEU 83 Cb 0.51 -0.43 -0.10 0.00 -0.00 0.00 0.00 43.42 43.40 2jtd n LEU 83 CO 0.46 -0.51 -0.48 -1.58 -0.00 0.00 0.00 177.39 175.28 2jtd s GLN 84 N -1.88 1.60 0.42 1.96 0.74 -1.26 -5.03 119.66 116.22 2jtd s GLN 84 Ca -0.09 -1.71 0.19 0.00 0.05 0.00 0.00 55.36 53.79 2jtd s GLN 84 Cb 0.01 -1.67 1.11 0.00 1.10 0.00 0.00 33.01 33.56 2jtd s GLN 84 CO 0.13 0.31 1.84 0.22 -0.55 0.00 0.00 175.29 177.24 2jtd h ASP 85 N 2.42 0.39 0.07 6.67 1.82 -1.98 -2.92 116.42 122.89 2jtd h ASP 85 Ca -0.40 0.05 -0.27 0.00 -0.39 0.00 0.00 57.03 56.02 2jtd h ASP 85 Cb 1.25 -0.02 0.02 0.00 0.68 0.00 0.00 39.33 41.26 2jtd h ASP 85 CO 0.59 0.14 -1.08 -0.08 -1.61 0.00 0.00 179.24 177.20 2jtd h GLU 86 N 0.38 0.61 0.00 0.28 4.81 -2.04 -3.35 114.58 115.28 2jtd h GLU 86 Ca 0.49 -0.75 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2jtd h GLU 86 Cb 1.27 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.88 2jtd h GLU 86 CO -0.19 1.33 0.00 -0.40 -0.73 0.00 0.00 179.01 179.02 2jtd n ASP 87 N -3.89 0.00 -4.43 1.04 5.68 -1.10 -4.39 116.55 109.47 2jtd n ASP 87 Ca -0.13 -0.28 -0.44 0.00 -0.50 0.00 0.00 54.79 53.44 2jtd n ASP 87 Cb 0.91 -0.17 -0.06 0.00 -1.14 0.00 0.00 41.12 40.66 2jtd n ASP 87 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 2jtd s GLU 88 N -2.34 3.09 0.00 0.11 2.56 -1.26 -4.97 118.70 115.90 2jtd s GLU 88 Ca 0.25 -1.02 0.00 0.00 0.00 0.00 0.00 54.97 54.20 2jtd s GLU 88 Cb 0.14 -4.13 0.00 0.00 2.00 0.00 0.00 34.13 32.14 2jtd s GLU 88 CO 0.29 -1.26 0.00 0.41 -0.56 0.00 0.00 175.26 174.13 2jtd n GLY 89 N 5.20 5.23 3.61 -1.50 0.00 -1.08 -4.56 105.19 112.09 2jtd n GLY 89 Ca -0.08 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 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 1.31 5.02 -0.10 2.61 2.01 -1.26 -1.12 115.64 124.10 2jtd s THR 90 Ca 0.00 0.94 -0.04 0.00 0.31 0.00 0.00 61.69 62.90 2jtd s THR 90 Cb 0.00 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2jtd s THR 90 CO 0.00 0.02 0.07 -0.31 -0.69 0.00 0.00 174.62 173.71 2jtd s TYR 91 N 2.43 3.36 -0.20 4.92 1.51 0.63 -1.39 117.35 128.62 2jtd s TYR 91 Ca 0.23 0.35 -0.04 0.00 -1.01 0.00 0.00 57.07 56.60 2jtd s TYR 91 Cb -0.15 -1.86 0.07 0.00 -0.11 0.00 0.00 41.96 39.91 2jtd s TYR 91 CO 0.09 0.60 0.08 0.99 -1.11 0.00 0.00 175.55 176.20 2jtd s THR 92 N -0.95 0.15 -0.22 -0.71 2.01 0.13 -0.10 115.64 115.94 2jtd s THR 92 Ca 0.14 -0.43 -0.07 0.00 0.31 0.00 0.00 61.69 61.64 2jtd s THR 92 Cb -0.12 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 2jtd s THR 92 CO 0.03 -0.34 0.07 -0.36 -0.69 0.00 0.00 174.62 173.33 2jtd s PHE 93 N 2.02 3.16 -0.17 4.92 0.08 -0.39 -2.04 117.98 125.56 2jtd s PHE 93 Ca 0.02 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 56.91 2jtd s PHE 93 Cb -0.16 -2.16 0.04 0.00 -0.57 0.00 0.00 43.02 40.16 2jtd s PHE 93 CO -0.13 -0.10 -0.08 -1.14 -0.10 0.00 0.00 175.22 173.66 2jtd s GLN 94 N 1.00 1.74 -0.38 0.44 0.74 -1.12 -0.12 119.66 121.96 2jtd s GLN 94 Ca 0.04 -0.59 -0.13 0.00 0.05 0.00 0.00 55.36 54.73 2jtd s GLN 94 Cb -0.14 -2.10 0.02 0.00 1.10 0.00 0.00 33.01 31.88 2jtd s GLN 94 CO 0.03 -0.39 0.25 0.42 -0.55 0.00 0.00 175.29 175.05 2jtd s ILE 95 N 1.55 4.98 -0.43 -2.34 1.01 0.84 -0.35 121.20 126.46 2jtd s ILE 95 Ca 0.01 -0.66 -0.20 0.00 0.00 0.00 0.00 60.65 59.80 2jtd s ILE 95 Cb -0.15 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.61 2jtd s ILE 95 CO -0.08 -0.22 0.61 -1.58 0.00 0.00 0.00 174.94 173.67 2jtd s GLN 96 N 1.64 3.26 -0.04 2.79 0.74 0.01 -0.89 119.66 127.16 2jtd s GLN 96 Ca 0.04 -0.43 -0.07 0.00 0.05 0.00 0.00 55.36 54.95 2jtd s GLN 96 Cb -0.19 -3.95 -0.02 0.00 1.10 0.00 0.00 33.01 29.95 2jtd s GLN 96 CO 0.09 -0.98 -0.14 -3.47 -0.55 0.00 0.00 175.29 170.23 2jtd n ASP 97 N 6.16 1.13 0.00 6.67 2.03 -1.23 -2.62 116.55 128.69 2jtd n ASP 97 Ca -0.02 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.46 2jtd n ASP 97 Cb 0.48 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 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 2.34 4.36 0.15 0.27 0.00 -1.26 -4.89 105.19 106.16 2jtd n GLY 98 Ca -0.06 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 2jtd n GLY 98 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jtd h LYS 99 N 0.00 0.45 -3.40 1.61 1.63 -1.99 -3.46 116.57 111.40 2jtd h LYS 99 Ca 0.00 -0.77 -0.17 0.00 -0.85 0.00 0.00 60.65 58.86 2jtd h LYS 99 Cb 0.00 0.29 -0.24 0.00 -0.60 0.00 0.00 32.23 31.68 2jtd h LYS 99 CO 0.00 1.37 -0.51 0.00 -3.45 0.00 0.00 179.45 176.86 2jtd s ALA 100 N -2.59 -0.38 -0.34 5.00 0.00 -1.26 -5.09 121.76 117.09 2jtd s ALA 100 Ca -0.13 0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 2jtd s ALA 100 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2jtd s ALA 100 CO 0.89 -0.14 0.20 0.95 0.00 0.00 0.00 175.76 177.67 2jtd s THR 101 N -0.54 4.79 -1.31 0.00 -4.23 -1.26 -3.57 115.64 109.52 2jtd s THR 101 Ca -0.06 -0.54 -0.17 0.00 -1.18 0.00 0.00 61.69 59.74 2jtd s THR 101 Cb -0.04 -3.53 0.07 0.00 1.34 0.00 0.00 72.50 70.34 2jtd s THR 101 CO 0.01 -0.07 1.77 0.61 -0.54 0.00 0.00 174.62 176.40 2jtd n GLY 102 N 5.03 2.80 3.45 3.99 0.00 -0.07 -4.86 105.19 115.53 2jtd n GLY 102 Ca -0.13 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 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 4.02 2.92 -0.06 1.61 -3.43 -1.26 -0.11 115.29 118.98 2jtd s HIS 103 Ca 0.53 -0.42 -0.01 0.00 -0.80 0.00 0.00 55.06 54.35 2jtd s HIS 103 Cb 0.05 -1.89 0.03 0.00 -1.43 0.00 0.00 32.58 29.34 2jtd s HIS 103 CO 0.06 -0.08 0.02 -1.12 -2.00 0.00 0.00 174.74 171.62 2jtd s SER 104 N 0.26 1.27 -0.30 7.38 0.01 0.83 -4.99 113.70 118.16 2jtd s SER 104 Ca -0.06 -0.03 -0.13 0.00 1.31 0.00 0.00 55.95 57.05 2jtd s SER 104 Cb -0.15 -0.32 -0.03 0.00 0.21 0.00 0.00 66.02 65.73 2jtd s SER 104 CO 0.04 -0.20 0.26 -0.89 0.41 0.00 0.00 173.24 172.86 2jtd s THR 105 N 1.88 5.26 -0.24 1.44 2.01 -1.26 -1.26 115.64 123.47 2jtd s THR 105 Ca 0.03 0.12 -0.00 0.00 0.31 0.00 0.00 61.69 62.14 2jtd s THR 105 Cb -0.12 -3.65 0.07 0.00 0.01 0.00 0.00 72.50 68.81 2jtd s THR 105 CO -0.04 0.12 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.79 2jtd s LEU 106 N 1.84 2.34 -0.34 4.42 1.98 0.86 -5.01 118.68 124.77 2jtd s LEU 106 Ca 0.09 -1.23 -0.14 0.00 -2.89 0.00 0.00 54.13 49.96 2jtd s LEU 106 Cb -0.16 -1.02 -0.02 0.00 0.66 0.00 0.00 46.19 45.64 2jtd s LEU 106 CO 0.11 -0.29 0.30 0.54 -1.89 0.00 0.00 176.35 175.12 2jtd s VAL 107 N 1.50 5.23 -0.40 1.68 0.11 -1.26 -0.27 120.40 127.00 2jtd s VAL 107 Ca -0.01 -0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 58.96 2jtd s VAL 107 Cb -0.18 -3.76 0.10 0.00 -1.53 0.00 0.00 36.38 31.01 2jtd s VAL 107 CO -0.10 -0.03 0.19 -0.76 -3.33 0.00 0.00 175.10 171.07 2jtd s LEU 108 N 1.88 5.13 -0.15 2.54 1.43 -0.28 -4.45 118.68 124.77 2jtd s LEU 108 Ca 0.09 -1.93 -0.08 0.00 -1.03 0.00 0.00 54.13 51.19 2jtd s LEU 108 Cb -0.17 -1.83 0.06 0.00 0.03 0.00 0.00 46.19 44.28 2jtd s LEU 108 CO 0.11 -0.52 0.36 -0.63 0.23 0.00 0.00 176.35 175.90 2jtd s ILE 109 N 1.17 -0.14 0.00 -0.59 1.01 -1.26 -2.63 121.20 118.75 2jtd s ILE 109 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.85 2jtd s ILE 109 Cb -0.23 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.70 2jtd s ILE 109 CO -0.04 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2jtd n GLY 110 N 4.50 2.65 0.23 6.18 0.00 -1.26 -0.59 105.19 116.89 2jtd n GLY 110 Ca -0.20 0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.22 2jtd n GLY 110 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jtd h ASP 111 N 0.00 0.00 -0.01 1.61 2.03 -2.01 -3.19 116.42 114.85 2jtd h ASP 111 Ca 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2jtd h ASP 111 Cb 0.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2jtd h ASP 111 CO 0.00 0.13 0.00 0.58 -1.03 0.00 0.00 179.24 178.92 2jtd h VAL 112 N 0.00 1.23 0.00 4.15 2.07 -1.23 -3.29 116.25 119.18 2jtd h VAL 112 Ca -0.00 -0.69 -0.15 0.00 0.82 0.00 0.00 66.70 66.68 2jtd h VAL 112 Cb 0.83 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 2jtd h VAL 112 CO 0.02 0.18 -0.73 0.10 0.02 0.00 0.00 177.57 177.16 2jtd h TYR 113 N -0.28 0.00 -0.52 1.57 -0.00 -1.52 -3.28 116.97 112.94 2jtd h TYR 113 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.73 2jtd h TYR 113 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.00 2jtd h TYR 113 CO 0.03 0.73 0.31 1.57 -0.00 0.00 0.00 178.16 180.80 2jtd h LYS 114 N 0.00 0.70 0.07 0.10 2.10 -1.62 0.22 116.57 118.14 2jtd h LYS 114 Ca -0.01 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2jtd h LYS 114 Cb 1.42 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2jtd h LYS 114 CO 0.09 0.49 -0.03 -0.22 -2.00 0.00 0.00 179.45 177.78 2jtd h LYS 115 N 0.71 -0.09 -0.27 0.07 3.64 -1.67 -2.53 116.57 116.44 2jtd h LYS 115 Ca 0.19 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2jtd h LYS 115 Cb -0.03 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2jtd h LYS 115 CO -0.04 0.41 0.11 -0.07 -2.27 0.00 0.00 179.45 177.59 2jtd h LEU 116 N -0.63 0.33 -0.64 5.20 4.07 -1.57 -1.13 115.31 120.94 2jtd h LEU 116 Ca -0.01 -0.02 -0.06 0.00 0.08 0.00 0.00 57.88 57.86 2jtd h LEU 116 Cb 0.53 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.16 2jtd h LEU 116 CO 0.02 0.30 0.15 -0.61 -1.08 0.00 0.00 178.44 177.22 2jtd h GLN 117 N 0.37 1.03 0.00 1.13 4.15 -0.54 -2.87 115.11 118.38 2jtd h GLN 117 Ca 0.09 -0.25 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 2jtd h GLN 117 Cb 0.08 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.63 2jtd h GLN 117 CO -0.01 0.93 -0.13 0.87 -1.93 0.00 0.00 178.83 178.55 2jtd h LYS 118 N 0.95 0.00 -0.39 1.69 1.79 -0.87 -2.92 116.57 116.81 2jtd h LYS 118 Ca 0.20 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.62 2jtd h LYS 118 Cb 0.37 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 2jtd h LYS 118 CO 0.00 0.13 0.01 0.93 -1.08 0.00 0.00 179.45 179.45 2jtd h GLU 119 N 0.00 0.61 0.00 3.15 5.08 -1.02 -3.35 114.58 119.05 2jtd h GLU 119 Ca -0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2jtd h GLU 119 Cb 1.04 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2jtd h GLU 119 CO 0.02 0.63 0.00 0.00 -1.00 0.00 0.00 179.01 178.65 2jtd n ALA 120 N -2.47 -0.08 -2.64 3.43 0.00 -1.12 -4.77 120.51 112.85 2jtd n ALA 120 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.07 2jtd n ALA 120 Cb 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.63 2jtd n ALA 120 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jtd s GLU 121 N -1.21 4.12 0.00 0.00 2.02 -1.12 -5.06 118.70 117.45 2jtd s GLU 121 Ca 0.00 0.29 0.27 0.00 0.02 0.00 0.00 54.97 55.55 2jtd s GLU 121 Cb 0.00 -3.61 1.63 0.00 0.10 0.00 0.00 34.13 32.26 2jtd s GLU 121 CO 0.00 -0.23 1.98 0.34 0.02 0.00 0.00 175.26 177.37