#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 1.99 -1.02 3.49 2.02 -1.26 -5.07 118.70 118.85 2jtd s GLU 2 Ca 0.00 -0.79 -0.22 0.00 0.02 0.00 0.00 54.97 53.97 2jtd s GLU 2 Cb 0.00 -1.82 0.06 0.00 0.10 0.00 0.00 34.13 32.47 2jtd s GLU 2 CO 0.00 0.42 1.41 -1.21 0.02 0.00 0.00 175.26 175.90 2jtd s GLU 3 N -0.35 3.61 0.46 1.61 2.02 -1.26 -4.80 118.70 119.99 2jtd s GLU 3 Ca 0.04 -1.26 0.14 0.00 0.02 0.00 0.00 54.97 53.92 2jtd s GLU 3 Cb -0.10 -5.30 1.04 0.00 0.10 0.00 0.00 34.13 29.86 2jtd s GLU 3 CO 0.01 -2.15 2.01 1.98 0.02 0.00 0.00 175.26 177.14 2jtd h MET 4 N 9.56 0.01 -0.63 1.61 1.85 -2.02 -2.63 114.93 122.67 2jtd h MET 4 Ca 0.20 -0.00 0.09 0.00 -0.61 0.00 0.00 59.70 59.39 2jtd h MET 4 Cb 1.01 -0.00 -0.04 0.00 0.43 0.00 0.00 31.60 33.00 2jtd h MET 4 CO 1.38 0.16 0.42 1.57 -0.40 0.00 0.00 176.91 180.04 2jtd h LYS 5 N 0.01 0.47 0.00 0.39 2.10 -2.03 -0.70 116.57 116.81 2jtd h LYS 5 Ca -0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2jtd h LYS 5 Cb 0.27 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2jtd h LYS 5 CO 0.02 0.31 0.00 0.07 -2.00 0.00 0.00 179.45 177.85 2jtd h ARG 6 N 0.49 0.00 -0.06 0.07 0.11 -1.88 -3.06 114.38 110.05 2jtd h ARG 6 Ca 0.29 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.35 2jtd h ARG 6 Cb 0.49 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.57 2jtd h ARG 6 CO -0.09 0.00 -0.04 1.25 0.10 0.00 0.00 179.97 181.19 2jtd h LEU 7 N 0.00 0.07 -0.26 0.08 6.46 -1.22 0.91 115.31 121.35 2jtd h LEU 7 Ca 0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2jtd h LEU 7 Cb 0.74 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 2jtd h LEU 7 CO 0.00 0.13 0.00 0.18 -0.62 0.00 0.00 178.44 178.13 2jtd n LEU 8 N -4.44 0.57 0.06 2.25 7.99 -1.15 -2.56 117.00 119.72 2jtd n LEU 8 Ca -0.02 0.59 0.05 0.00 -0.01 0.00 0.00 56.01 56.62 2jtd n LEU 8 Cb 0.15 -0.46 -0.05 0.00 -0.11 0.00 0.00 43.42 42.96 2jtd n LEU 8 CO 0.35 -0.31 -0.14 0.00 -1.51 0.00 0.00 177.39 175.79 2jtd h ALA 9 N 2.49 0.60 -2.28 -1.18 0.00 -0.98 -3.46 119.26 114.44 2jtd h ALA 9 Ca 0.00 -0.49 -0.54 0.00 0.00 0.00 0.00 54.91 53.87 2jtd h ALA 9 Cb 0.52 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2jtd h ALA 9 CO 0.00 0.54 1.10 -0.51 0.00 0.00 0.00 179.25 180.38 2jtd s LEU 10 N -5.63 4.34 0.06 0.00 2.01 -1.00 -4.81 118.68 113.64 2jtd s LEU 10 Ca -0.02 2.30 0.01 0.00 0.01 0.00 0.00 54.13 56.43 2jtd s LEU 10 Cb 0.09 -3.53 -0.03 0.00 0.01 0.00 0.00 46.19 42.72 2jtd s LEU 10 CO 0.80 -0.94 -0.06 -0.55 1.01 0.00 0.00 176.35 176.62 2jtd s SER 11 N 3.41 0.78 0.52 2.29 0.15 -1.26 -5.03 113.70 114.56 2jtd s SER 11 Ca 0.75 -0.76 -0.20 0.00 0.70 0.00 0.00 55.95 56.45 2jtd s SER 11 Cb -0.35 0.09 -0.07 0.00 -1.71 0.00 0.00 66.02 63.99 2jtd s SER 11 CO 0.31 -0.37 1.09 -1.58 1.20 0.00 0.00 173.24 173.90 2jtd s GLN 12 N -2.65 3.52 0.33 5.44 0.74 -1.26 -4.96 119.66 120.82 2jtd s GLN 12 Ca -0.01 1.51 -0.29 0.00 0.05 0.00 0.00 55.36 56.61 2jtd s GLN 12 Cb -0.02 -2.04 -0.11 0.00 1.10 0.00 0.00 33.01 31.94 2jtd s GLN 12 CO -0.03 -0.69 1.51 -1.83 -0.55 0.00 0.00 175.29 173.70 2jtd s GLU 13 N -3.28 4.14 -0.29 1.67 -1.05 -1.26 -5.00 118.70 113.64 2jtd s GLU 13 Ca 0.70 2.53 -0.03 0.00 -0.15 0.00 0.00 54.97 58.02 2jtd s GLU 13 Cb -0.21 -3.01 0.11 0.00 -0.44 0.00 0.00 34.13 30.59 2jtd s GLU 13 CO 0.24 -0.54 0.18 -1.58 0.95 0.00 0.00 175.26 174.52 2jtd s HIS 14 N -0.63 0.08 -0.73 4.83 2.46 -1.26 -5.08 115.29 114.96 2jtd s HIS 14 Ca 0.57 -0.66 -0.26 0.00 0.47 0.00 0.00 55.06 55.18 2jtd s HIS 14 Cb -0.46 -0.76 0.00 0.00 -0.13 0.00 0.00 32.58 31.23 2jtd s HIS 14 CO 0.55 -0.85 1.60 0.21 -2.47 0.00 0.00 174.74 173.79 2jtd s LYS 15 N 2.18 2.93 -0.20 2.88 2.20 -1.26 -4.82 119.74 123.65 2jtd s LYS 15 Ca 0.09 0.02 -0.18 0.00 -0.36 0.00 0.00 55.97 55.55 2jtd s LYS 15 Cb -0.15 -4.47 -0.14 0.00 -1.51 0.00 0.00 37.83 31.56 2jtd s LYS 15 CO -0.35 -2.52 0.06 0.34 -0.36 0.00 0.00 175.35 172.52 2jtd n PHE 16 N 11.20 0.90 -2.40 4.03 7.35 -1.26 -4.92 117.46 132.36 2jtd n PHE 16 Ca 0.17 0.39 -0.39 0.00 -0.76 0.00 0.00 57.45 56.86 2jtd n PHE 16 Cb 0.50 -1.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.30 2jtd n PHE 16 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2jtd s PRO 17 N -2.35 4.36 -0.69 -7.13 0.02 -1.26 -4.96 135.00 122.99 2jtd s PRO 17 Ca -0.26 1.79 -0.27 0.00 0.02 0.00 0.00 61.00 62.28 2jtd s PRO 17 Cb 0.06 -2.91 0.01 0.00 0.02 0.00 0.00 34.50 31.68 2jtd s PRO 17 CO 0.49 -0.04 1.50 0.99 -0.33 0.00 0.00 177.00 179.60 2jtd s THR 18 N -1.33 3.59 -0.28 0.99 2.01 -1.26 -4.92 115.64 114.45 2jtd s THR 18 Ca 0.51 0.34 -0.23 0.00 0.31 0.00 0.00 61.69 62.62 2jtd s THR 18 Cb -0.30 -4.54 0.10 0.00 0.01 0.00 0.00 72.50 67.76 2jtd s THR 18 CO 0.39 -1.48 0.86 0.54 -0.69 0.00 0.00 174.62 174.24 2jtd s VAL 19 N 6.98 0.00 0.17 3.82 0.11 -1.26 -5.05 120.40 125.17 2jtd s VAL 19 Ca 0.47 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.41 2jtd s VAL 19 Cb -0.10 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.83 2jtd s VAL 19 CO 0.17 0.00 1.74 1.55 -3.33 0.00 0.00 175.10 175.23 2jtd h PRO 20 N 5.03 0.90 -6.70 1.54 0.13 -2.06 -3.43 132.00 127.42 2jtd h PRO 20 Ca -0.29 -0.16 -0.52 0.00 -0.87 0.00 0.00 66.00 64.17 2jtd h PRO 20 Cb 1.18 -0.15 0.02 0.00 0.13 0.00 0.00 31.00 32.18 2jtd h PRO 20 CO 0.10 0.76 0.56 0.99 -0.23 0.00 0.00 178.00 180.18 2jtd s THR 21 N -5.58 3.47 -0.58 1.56 2.01 -1.26 -4.94 115.64 110.32 2jtd s THR 21 Ca -0.13 1.28 0.15 0.00 0.31 0.00 0.00 61.69 63.30 2jtd s THR 21 Cb 0.13 -3.82 0.54 0.00 0.01 0.00 0.00 72.50 69.36 2jtd s THR 21 CO 0.79 0.22 1.45 0.29 -0.69 0.00 0.00 174.62 176.69 2jtd n LYS 22 N 2.23 3.27 -3.23 4.92 5.02 -1.26 -4.79 118.16 124.32 2jtd n LYS 22 Ca 0.03 -2.68 -0.45 0.00 -2.02 0.00 0.00 58.31 53.20 2jtd n LYS 22 Cb 0.44 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 2jtd n LYS 22 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jtd n SER 23 N 0.21 5.63 -4.11 4.39 2.88 -1.23 -3.93 113.62 117.45 2jtd n SER 23 Ca 0.20 -3.09 -0.13 0.00 -1.33 0.00 0.00 58.87 54.52 2jtd n SER 23 Cb 0.80 -1.38 -0.11 0.00 -0.75 0.00 0.00 64.21 62.77 2jtd n SER 23 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2jtd s GLU 24 N -1.21 0.66 -0.17 -1.46 2.56 -1.26 -3.54 118.70 114.27 2jtd s GLU 24 Ca 0.32 -0.96 -0.26 0.00 0.00 0.00 0.00 54.97 54.07 2jtd s GLU 24 Cb -0.07 -0.34 -0.01 0.00 2.00 0.00 0.00 34.13 35.72 2jtd s GLU 24 CO -0.04 0.05 0.88 -1.17 -0.56 0.00 0.00 175.26 174.42 2jtd s LEU 25 N -2.04 4.17 -0.04 2.70 1.98 -1.26 -4.40 118.68 119.79 2jtd s LEU 25 Ca -0.02 1.25 0.06 0.00 -2.89 0.00 0.00 54.13 52.53 2jtd s LEU 25 Cb -0.06 -3.32 -0.02 0.00 0.66 0.00 0.00 46.19 43.46 2jtd s LEU 25 CO -0.01 -0.45 -0.23 0.00 -1.89 0.00 0.00 176.35 173.78 2jtd s ALA 26 N 2.29 2.29 -0.04 5.97 0.00 -1.04 -4.86 121.76 126.37 2jtd s ALA 26 Ca 0.40 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 2jtd s ALA 26 Cb -0.17 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.27 2jtd s ALA 26 CO 0.12 0.50 0.11 0.54 0.00 0.00 0.00 175.76 177.03 2jtd s VAL 27 N -0.49 0.00 -0.13 0.00 0.11 -1.26 -2.08 120.40 116.55 2jtd s VAL 27 Ca 0.06 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 2jtd s VAL 27 Cb -0.11 -0.16 0.02 0.00 -1.53 0.00 0.00 36.38 34.60 2jtd s VAL 27 CO 0.01 -0.00 -0.11 -0.70 -3.33 0.00 0.00 175.10 170.96 2jtd s GLU 28 N 0.05 1.96 -0.14 1.54 2.12 0.28 -5.00 118.70 119.51 2jtd s GLU 28 Ca -0.00 -0.43 -0.10 0.00 0.36 0.00 0.00 54.97 54.81 2jtd s GLU 28 Cb -0.01 -1.86 -0.05 0.00 0.26 0.00 0.00 34.13 32.47 2jtd s GLU 28 CO 0.00 -0.24 0.18 0.42 -0.54 0.00 0.00 175.26 175.08 2jtd s ILE 29 N 1.54 5.41 -0.33 -3.70 1.01 -1.26 -0.02 121.20 123.86 2jtd s ILE 29 Ca 0.04 0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.97 2jtd s ILE 29 Cb -0.13 -3.48 0.06 0.00 0.01 0.00 0.00 42.46 38.93 2jtd s ILE 29 CO -0.09 0.52 0.05 -0.76 0.00 0.00 0.00 174.94 174.66 2jtd s LEU 30 N -0.36 4.23 0.22 2.97 1.43 -0.10 -4.55 118.68 122.52 2jtd s LEU 30 Ca 0.13 -1.48 0.22 0.00 -1.03 0.00 0.00 54.13 51.98 2jtd s LEU 30 Cb -0.12 -1.73 0.92 0.00 0.03 0.00 0.00 46.19 45.29 2jtd s LEU 30 CO 0.03 -0.33 1.66 -1.84 0.23 0.00 0.00 176.35 176.10 2jtd n GLU 31 N 4.60 0.16 0.00 1.70 -0.00 -1.26 -1.11 120.64 124.73 2jtd n GLU 31 Ca -0.10 0.41 0.15 0.00 -0.00 0.00 0.00 57.16 57.62 2jtd n GLU 31 Cb 0.43 -1.81 0.66 0.00 -0.00 0.00 0.00 31.44 30.71 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 -2.11 1.44 0.00 3.44 5.02 -1.26 -4.93 118.16 119.75 2jtd n LYS 32 Ca 0.02 -0.65 0.00 0.00 -2.02 0.00 0.00 58.31 55.66 2jtd n LYS 32 Cb 0.20 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 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 1.12 -2.09 3.92 0.72 0.00 -0.27 -5.16 105.19 103.43 2jtd n GLY 33 Ca 0.20 0.70 -0.26 0.00 0.00 0.00 0.00 46.02 46.66 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 3.51 -0.07 1.61 2.00 -1.18 -4.32 119.66 121.21 2jtd s GLN 34 Ca 0.00 0.01 0.02 0.00 -2.00 0.00 0.00 55.36 53.39 2jtd s GLN 34 Cb 0.00 -2.47 0.01 0.00 0.80 0.00 0.00 33.01 31.35 2jtd s GLN 34 CO 0.00 -0.10 -0.12 0.08 -0.50 0.00 0.00 175.29 174.65 2jtd s VAL 35 N -2.61 1.15 -0.25 1.34 1.01 0.15 -0.93 120.40 120.27 2jtd s VAL 35 Ca 0.45 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 2jtd s VAL 35 Cb -0.10 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2jtd s VAL 35 CO 0.42 0.36 0.28 -0.60 0.00 0.00 0.00 175.10 175.56 2jtd s ARG 36 N 0.72 4.05 -0.15 2.72 3.52 0.97 -3.02 118.95 127.76 2jtd s ARG 36 Ca -0.14 -0.09 -0.00 0.00 -0.13 0.00 0.00 55.73 55.38 2jtd s ARG 36 Cb -0.16 -3.60 -0.01 0.00 -1.56 0.00 0.00 34.95 29.63 2jtd s ARG 36 CO 0.03 -0.11 -0.14 0.12 -0.81 0.00 0.00 175.30 174.39 2jtd s PHE 37 N 1.57 2.81 -0.11 5.12 2.19 -0.90 -0.55 117.98 128.10 2jtd s PHE 37 Ca 0.12 -0.92 -0.15 0.00 0.33 0.00 0.00 56.93 56.31 2jtd s PHE 37 Cb -0.15 -1.90 0.04 0.00 -1.31 0.00 0.00 43.02 39.70 2jtd s PHE 37 CO 0.08 -0.41 0.38 1.67 1.83 0.00 0.00 175.22 178.78 2jtd s TRP 38 N 0.76 -0.37 0.04 10.12 1.48 -0.88 -0.52 118.94 129.56 2jtd s TRP 38 Ca -0.06 0.84 -0.03 0.00 -1.06 0.00 0.00 56.10 55.80 2jtd s TRP 38 Cb -0.15 0.15 -0.02 0.00 -1.16 0.00 0.00 33.47 32.28 2jtd s TRP 38 CO 0.01 -0.28 0.04 0.00 -4.06 0.00 0.00 176.95 172.66 2jtd s MET 39 N -0.28 0.55 -0.37 3.25 0.23 -0.03 -2.48 119.30 120.16 2jtd s MET 39 Ca -0.04 -0.88 -0.11 0.00 -1.03 0.00 0.00 55.69 53.63 2jtd s MET 39 Cb -0.03 0.20 0.03 0.00 -1.53 0.00 0.00 34.83 33.50 2jtd s MET 39 CO 0.02 -0.12 0.20 -0.65 -2.03 0.00 0.00 175.02 172.44 2jtd s GLN 40 N -2.84 2.83 -0.72 3.16 -0.21 -1.25 -2.52 119.66 118.11 2jtd s GLN 40 Ca -0.03 -1.08 -0.20 0.00 0.02 0.00 0.00 55.36 54.08 2jtd s GLN 40 Cb 0.00 -3.72 0.11 0.00 1.00 0.00 0.00 33.01 30.40 2jtd s GLN 40 CO -0.06 -0.69 0.90 0.00 -2.12 0.00 0.00 175.29 173.32 2jtd s ALA 41 N 1.55 3.34 0.07 6.09 0.00 0.12 -3.57 121.76 129.35 2jtd s ALA 41 Ca 0.02 -2.31 0.22 0.00 0.00 0.00 0.00 51.96 49.89 2jtd s ALA 41 Cb -0.19 -3.77 0.73 0.00 0.00 0.00 0.00 23.12 19.89 2jtd s ALA 41 CO 0.06 -2.65 1.74 1.05 0.00 0.00 0.00 175.76 175.97 2jtd h GLU 42 N 9.14 0.00 -6.08 0.00 4.11 -1.88 -3.38 114.58 116.50 2jtd h GLU 42 Ca -0.15 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.60 2jtd h GLU 42 Cb 1.06 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.14 2jtd h GLU 42 CO 1.11 0.28 -0.67 0.15 0.07 0.00 0.00 179.01 179.95 2jtd s LYS 43 N -3.52 2.84 -0.03 1.06 1.02 -1.26 -5.00 119.74 114.85 2jtd s LYS 43 Ca 0.01 -0.49 0.14 0.00 0.02 0.00 0.00 55.97 55.65 2jtd s LYS 43 Cb 0.10 -2.67 -0.21 0.00 -0.52 0.00 0.00 37.83 34.53 2jtd s LYS 43 CO 0.66 0.68 0.27 1.28 -0.92 0.00 0.00 175.35 177.32 2jtd n LEU 44 N 2.19 0.00 -4.80 3.17 7.99 -1.26 -4.86 117.00 119.43 2jtd n LEU 44 Ca -0.18 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 55.50 2jtd n LEU 44 Cb 0.53 0.04 0.06 0.00 -0.11 0.00 0.00 43.42 43.94 2jtd n LEU 44 CO 0.27 0.04 0.71 -0.44 -1.51 0.00 0.00 177.39 176.46 2jtd s SER 45 N -3.72 5.10 -1.20 -1.43 0.01 -1.26 -4.89 113.70 106.31 2jtd s SER 45 Ca -0.05 1.74 -0.18 0.00 1.31 0.00 0.00 55.95 58.77 2jtd s SER 45 Cb 0.08 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 2jtd s SER 45 CO 0.57 -1.64 2.00 -0.24 0.41 0.00 0.00 173.24 174.35 2jtd n SER 46 N -3.08 3.61 -0.04 2.44 2.88 -1.26 -3.99 113.62 114.17 2jtd n SER 46 Ca 0.08 -2.79 -0.04 0.00 -1.33 0.00 0.00 58.87 54.80 2jtd n SER 46 Cb 0.53 -1.54 -0.06 0.00 -0.75 0.00 0.00 64.21 62.39 2jtd n SER 46 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2jtd n ASN 47 N 8.09 3.10 -4.69 -3.46 5.03 -1.26 -4.99 115.26 117.08 2jtd n ASN 47 Ca 0.50 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.57 2jtd n ASN 47 Cb 0.42 0.71 -0.08 0.00 -1.02 0.00 0.00 39.78 39.82 2jtd n ASN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jtd s ALA 48 N -2.20 3.57 -0.31 5.41 0.00 -1.24 -2.40 121.76 124.59 2jtd s ALA 48 Ca -0.04 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 51.31 2jtd s ALA 48 Cb 0.02 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.66 2jtd s ALA 48 CO 0.32 -0.16 0.07 0.15 0.00 0.00 0.00 175.76 176.14 2jtd s LYS 49 N 1.01 2.74 -0.25 0.00 3.01 0.67 -4.92 119.74 121.99 2jtd s LYS 49 Ca 0.17 -1.09 -0.09 0.00 -1.01 0.00 0.00 55.97 53.95 2jtd s LYS 49 Cb -0.14 -3.36 -0.04 0.00 -1.01 0.00 0.00 37.83 33.28 2jtd s LYS 49 CO 0.06 -0.58 0.12 0.08 0.51 0.00 0.00 175.35 175.55 2jtd s VAL 50 N 1.40 4.87 -0.25 3.17 1.01 -1.26 -1.60 120.40 127.75 2jtd s VAL 50 Ca -0.01 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 2jtd s VAL 50 Cb -0.19 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2jtd s VAL 50 CO 0.02 0.33 0.12 -0.94 0.00 0.00 0.00 175.10 174.62 2jtd s SER 51 N 1.40 5.59 -1.21 3.32 1.04 -0.90 -5.02 113.70 117.92 2jtd s SER 51 Ca 0.06 -0.07 -0.14 0.00 0.48 0.00 0.00 55.95 56.28 2jtd s SER 51 Cb -0.15 -2.01 0.16 0.00 0.10 0.00 0.00 66.02 64.12 2jtd s SER 51 CO 0.06 0.00 1.46 -0.31 0.98 0.00 0.00 173.24 175.43 2jtd s TYR 52 N 1.41 3.43 -0.32 5.02 2.02 -1.26 -3.94 117.35 123.71 2jtd s TYR 52 Ca 0.06 -2.08 -0.12 0.00 -0.37 0.00 0.00 57.07 54.56 2jtd s TYR 52 Cb -0.15 -4.35 -0.03 0.00 -0.40 0.00 0.00 41.96 37.03 2jtd s TYR 52 CO 0.06 -1.43 0.21 0.42 -1.57 0.00 0.00 175.55 173.24 2jtd s ILE 53 N 1.83 5.20 -0.24 2.71 -1.09 -1.04 -1.76 121.20 126.81 2jtd s ILE 53 Ca 0.44 -0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.74 2jtd s ILE 53 Cb -0.02 -3.61 0.04 0.00 -1.58 0.00 0.00 42.46 37.29 2jtd s ILE 53 CO 0.01 0.08 -0.13 0.12 -1.23 0.00 0.00 174.94 173.78 2jtd s PHE 54 N 1.72 3.10 -1.50 3.97 5.36 0.11 0.00 117.98 130.74 2jtd s PHE 54 Ca 0.06 -2.03 -0.06 0.00 -0.96 0.00 0.00 56.93 53.94 2jtd s PHE 54 Cb -0.17 -1.95 0.02 0.00 -0.34 0.00 0.00 43.02 40.58 2jtd s PHE 54 CO 0.10 -0.84 0.67 -1.71 -1.46 0.00 0.00 175.22 171.98 2jtd n ASN 55 N 4.52 -5.79 -0.14 6.13 4.05 -0.02 -0.61 115.26 123.40 2jtd n ASN 55 Ca -0.16 -0.34 -0.02 0.00 0.45 0.00 0.00 54.58 54.50 2jtd n ASN 55 Cb 0.45 -4.68 -0.01 0.00 1.23 0.00 0.00 39.78 36.78 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 -4.13 -0.78 -4.68 1.20 1.02 -1.26 -5.01 120.64 107.00 2jtd n GLU 56 Ca -0.08 0.34 -0.33 0.00 -0.02 0.00 0.00 57.16 57.06 2jtd n GLU 56 Cb 0.60 -4.01 -0.13 0.00 -0.02 0.00 0.00 31.44 27.88 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 -1.24 3.05 -0.05 3.49 -0.14 0.22 -5.06 119.74 120.01 2jtd s LYS 57 Ca 0.00 -0.61 -0.30 0.00 -1.36 0.00 0.00 55.97 53.70 2jtd s LYS 57 Cb 0.00 -2.62 -0.04 0.00 -1.68 0.00 0.00 37.83 33.49 2jtd s LYS 57 CO 0.00 0.45 1.29 -1.21 -0.76 0.00 0.00 175.35 175.12 2jtd s GLU 58 N -0.25 4.31 0.38 1.68 2.02 -1.26 0.06 118.70 125.64 2jtd s GLU 58 Ca 0.02 1.79 0.08 0.00 0.02 0.00 0.00 54.97 56.88 2jtd s GLU 58 Cb -0.13 -3.60 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 2jtd s GLU 58 CO 0.03 -0.53 0.24 0.96 0.02 0.00 0.00 175.26 175.97 2jtd s ILE 59 N 2.46 2.85 0.17 -1.63 -4.36 -0.72 -4.95 121.20 115.03 2jtd s ILE 59 Ca 0.59 -1.55 0.04 0.00 -0.26 0.00 0.00 60.65 59.47 2jtd s ILE 59 Cb -0.27 -3.02 -0.05 0.00 1.25 0.00 0.00 42.46 40.37 2jtd s ILE 59 CO 0.23 -0.09 -0.06 -0.36 0.24 0.00 0.00 174.94 174.90 2jtd s PHE 60 N -2.46 1.32 0.45 1.37 0.08 -1.26 -4.89 117.98 112.59 2jtd s PHE 60 Ca 0.42 -0.84 -0.25 0.00 0.12 0.00 0.00 56.93 56.37 2jtd s PHE 60 Cb -0.02 -0.71 -0.08 0.00 -0.57 0.00 0.00 43.02 41.63 2jtd s PHE 60 CO 0.25 0.00 1.41 -1.91 -0.10 0.00 0.00 175.22 174.87 2jtd n GLU 61 N -0.26 2.21 0.00 0.44 2.13 -1.26 -4.89 120.64 119.01 2jtd n GLU 61 Ca -0.08 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.52 2jtd n GLU 61 Cb 0.62 -2.60 0.00 0.00 0.27 0.00 0.00 31.44 29.73 2jtd n GLU 61 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jtd n GLY 62 N 0.61 0.87 0.00 8.31 0.00 -0.67 -5.00 105.19 109.31 2jtd n GLY 62 Ca 0.05 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2jtd n GLY 62 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jtd n PRO 63 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -4.15 135.00 131.18 2jtd n PRO 63 Ca 0.00 0.21 0.13 0.00 -2.02 0.00 0.00 63.50 61.82 2jtd n PRO 63 Cb 0.00 -1.02 0.29 0.00 -0.02 0.00 0.00 33.50 32.75 2jtd n PRO 63 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2jtd n LYS 64 N -1.14 1.90 -3.80 -0.52 2.85 -1.26 -4.88 118.16 111.31 2jtd n LYS 64 Ca 0.00 -1.39 -0.35 0.00 -1.05 0.00 0.00 58.31 55.52 2jtd n LYS 64 Cb 0.00 -1.47 -0.09 0.00 -0.65 0.00 0.00 35.03 32.82 2jtd n LYS 64 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2jtd s TYR 65 N -2.05 3.34 -0.12 5.58 2.02 -1.26 -4.25 117.35 120.60 2jtd s TYR 65 Ca 0.32 0.21 -0.02 0.00 -0.37 0.00 0.00 57.07 57.21 2jtd s TYR 65 Cb 0.20 -2.16 0.04 0.00 -0.40 0.00 0.00 41.96 39.64 2jtd s TYR 65 CO 0.34 0.19 0.01 0.15 -1.57 0.00 0.00 175.55 174.67 2jtd s LYS 66 N 0.52 0.71 -0.15 -0.62 -0.14 -1.21 -1.67 119.74 117.17 2jtd s LYS 66 Ca 0.06 -0.11 -0.01 0.00 -1.36 0.00 0.00 55.97 54.55 2jtd s LYS 66 Cb -0.12 -1.44 0.04 0.00 -1.68 0.00 0.00 37.83 34.64 2jtd s LYS 66 CO -0.00 -0.42 -0.02 0.00 -0.76 0.00 0.00 175.35 174.15 2jtd s MET 67 N 1.91 1.04 -0.28 1.68 0.23 -1.26 -2.34 119.30 120.28 2jtd s MET 67 Ca 0.03 -0.34 -0.06 0.00 -1.03 0.00 0.00 55.69 54.29 2jtd s MET 67 Cb -0.14 -1.78 0.01 0.00 -1.53 0.00 0.00 34.83 31.39 2jtd s MET 67 CO -0.06 -0.45 0.04 -1.01 -2.03 0.00 0.00 175.02 171.51 2jtd s HIS 68 N 1.77 3.11 -0.58 3.16 0.09 -1.16 -4.93 115.29 116.76 2jtd s HIS 68 Ca 0.01 -1.04 -0.19 0.00 -0.00 0.00 0.00 55.06 53.84 2jtd s HIS 68 Cb -0.15 -2.21 0.09 0.00 -0.00 0.00 0.00 32.58 30.32 2jtd s HIS 68 CO -0.07 -0.59 0.70 -1.50 -0.00 0.00 0.00 174.74 173.28 2jtd s ILE 69 N 1.47 4.81 -0.09 0.60 1.10 -1.26 -4.14 121.20 123.69 2jtd s ILE 69 Ca 0.03 -0.84 -0.14 0.00 -0.51 0.00 0.00 60.65 59.18 2jtd s ILE 69 Cb -0.17 -4.46 -0.05 0.00 0.15 0.00 0.00 42.46 37.94 2jtd s ILE 69 CO 0.01 -1.07 0.34 -0.62 -2.11 0.00 0.00 174.94 171.49 2jtd s ASP 70 N 3.42 6.60 -0.03 4.50 2.15 -1.26 -4.95 116.67 127.09 2jtd s ASP 70 Ca 0.13 0.71 0.04 0.00 0.43 0.00 0.00 52.55 53.85 2jtd s ASP 70 Cb -0.23 -2.21 0.06 0.00 -0.30 0.00 0.00 42.92 40.25 2jtd s ASP 70 CO 0.08 0.21 0.99 0.54 -0.17 0.00 0.00 175.17 176.82 2jtd n ARG 71 N 2.75 2.36 -0.13 4.34 1.74 -1.26 -4.25 116.66 122.20 2jtd n ARG 71 Ca -0.13 -1.62 -0.26 0.00 -0.77 0.00 0.00 57.85 55.07 2jtd n ARG 71 Cb 0.52 -1.05 -0.11 0.00 -1.02 0.00 0.00 32.46 30.81 2jtd n ARG 71 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jtd n ASN 72 N -0.64 1.97 -0.02 0.55 3.02 -1.26 -4.79 115.26 114.09 2jtd n ASN 72 Ca 0.03 0.20 -0.02 0.00 -0.03 0.00 0.00 54.58 54.76 2jtd n ASN 72 Cb 0.36 -0.71 -0.04 0.00 -0.61 0.00 0.00 39.78 38.78 2jtd n ASN 72 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2jtd n THR 73 N -3.94 0.32 0.00 3.41 -2.24 -1.26 -5.03 114.28 105.54 2jtd n THR 73 Ca -0.50 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2jtd n THR 73 Cb 0.91 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 2.74 0.85 3.49 3.38 0.00 -1.26 -4.89 105.19 109.50 2jtd n GLY 74 Ca -0.08 0.00 -0.43 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 4.47 -0.28 -0.61 -1.09 -1.26 0.10 121.20 120.53 2jtd s ILE 75 Ca 0.00 -0.01 -0.06 0.00 -2.23 0.00 0.00 60.65 58.35 2jtd s ILE 75 Cb 0.00 -4.53 0.00 0.00 -1.58 0.00 0.00 42.46 36.36 2jtd s ILE 75 CO 0.00 -1.13 0.05 -0.63 -1.23 0.00 0.00 174.94 172.00 2jtd s ILE 76 N 3.72 3.84 0.31 2.92 1.01 -1.05 -4.49 121.20 127.46 2jtd s ILE 76 Ca 0.26 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.36 2jtd s ILE 76 Cb -0.15 -2.93 -0.06 0.00 0.01 0.00 0.00 42.46 39.33 2jtd s ILE 76 CO 0.16 0.16 -0.10 -1.83 0.00 0.00 0.00 174.94 173.33 2jtd s GLU 77 N 1.50 1.68 -0.05 2.79 4.04 -1.26 -0.85 118.70 126.54 2jtd s GLU 77 Ca 0.03 -1.84 -0.08 0.00 0.04 0.00 0.00 54.97 53.11 2jtd s GLU 77 Cb -0.17 -1.49 0.02 0.00 0.02 0.00 0.00 34.13 32.51 2jtd s GLU 77 CO 0.01 0.13 0.21 1.41 -1.84 0.00 0.00 175.26 175.18 2jtd s MET 78 N -3.64 0.36 -0.23 -4.83 1.75 0.32 -2.97 119.30 110.06 2jtd s MET 78 Ca 0.31 0.06 0.02 0.00 -1.25 0.00 0.00 55.69 54.83 2jtd s MET 78 Cb 0.02 0.16 0.04 0.00 2.84 0.00 0.00 34.83 37.89 2jtd s MET 78 CO 0.14 -0.07 -0.14 0.12 -0.65 0.00 0.00 175.02 174.42 2jtd s PHE 79 N -0.44 3.09 0.30 4.11 5.36 -0.99 -2.13 117.98 127.28 2jtd s PHE 79 Ca -0.05 -2.06 0.05 0.00 -0.96 0.00 0.00 56.93 53.90 2jtd s PHE 79 Cb -0.04 -1.93 -0.03 0.00 -0.34 0.00 0.00 43.02 40.68 2jtd s PHE 79 CO 0.01 -0.85 0.22 -1.64 -1.46 0.00 0.00 175.22 171.50 2jtd s MET 80 N 1.17 1.62 0.00 10.12 -1.94 -1.17 -3.34 119.30 125.76 2jtd s MET 80 Ca -0.04 -1.92 0.00 0.00 -1.71 0.00 0.00 55.69 52.02 2jtd s MET 80 Cb -0.17 0.20 0.00 0.00 2.01 0.00 0.00 34.83 36.87 2jtd s MET 80 CO -0.08 -0.55 0.00 -0.85 -0.01 0.00 0.00 175.02 173.53 2jtd n GLU 81 N -0.55 0.00 -3.10 2.03 0.28 -1.26 -0.67 120.64 117.36 2jtd n GLU 81 Ca 0.05 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.75 2jtd n GLU 81 Cb 0.64 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.47 2jtd n GLU 81 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2jtd s LYS 82 N 0.58 3.75 0.00 3.44 0.00 -1.26 -4.99 119.74 121.26 2jtd s LYS 82 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 55.97 56.28 2jtd s LYS 82 Cb 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 37.83 35.32 2jtd s LYS 82 CO 0.00 0.10 0.00 -0.11 0.00 0.00 0.00 175.35 175.34 2jtd n LEU 83 N -0.97 0.00 -3.94 2.77 7.94 -1.26 -5.11 117.00 116.43 2jtd n LEU 83 Ca 0.01 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.81 2jtd n LEU 83 Cb 0.54 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.37 2jtd n LEU 83 CO 0.47 -0.28 -0.36 -1.10 -1.11 0.00 0.00 177.39 175.01 2jtd s GLN 84 N -0.55 0.19 0.56 1.96 -0.21 -1.26 -5.04 119.66 115.30 2jtd s GLN 84 Ca 0.00 -0.37 0.29 0.00 0.02 0.00 0.00 55.36 55.30 2jtd s GLN 84 Cb 0.00 0.07 1.64 0.00 1.00 0.00 0.00 33.01 35.72 2jtd s GLN 84 CO 0.00 -0.03 2.16 0.38 -2.12 0.00 0.00 175.29 175.68 2jtd h ASP 85 N 5.24 0.00 1.07 5.90 2.03 -1.98 0.48 116.42 129.16 2jtd h ASP 85 Ca -0.29 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 55.88 2jtd h ASP 85 Cb 1.21 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.69 2jtd h ASP 85 CO 0.45 0.06 -0.61 1.05 -1.03 0.00 0.00 179.24 179.16 2jtd h GLU 86 N 0.00 0.00 0.00 4.15 4.11 -1.98 -3.27 114.58 117.59 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 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2jtd h GLU 86 CO 0.01 0.61 -1.33 -3.47 0.07 0.00 0.00 179.01 174.90 2jtd n ASP 87 N -3.42 0.52 -4.71 3.06 2.03 0.51 -4.80 116.55 109.74 2jtd n ASP 87 Ca 0.00 -0.29 -0.42 0.00 0.52 0.00 0.00 54.79 54.61 2jtd n ASP 87 Cb 0.71 1.21 -0.03 0.00 -0.72 0.00 0.00 41.12 42.29 2jtd n ASP 87 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2jtd s GLU 88 N -3.27 4.51 0.00 -0.67 8.01 0.14 -4.90 118.70 122.52 2jtd s GLU 88 Ca 0.01 1.52 0.00 0.00 0.01 0.00 0.00 54.97 56.51 2jtd s GLU 88 Cb 0.14 -3.44 0.00 0.00 -4.31 0.00 0.00 34.13 26.52 2jtd s GLU 88 CO 0.85 -0.14 0.00 0.41 0.01 0.00 0.00 175.26 176.39 2jtd n GLY 89 N 3.01 2.66 3.60 -1.39 0.00 -0.72 -4.65 105.19 107.70 2jtd n GLY 89 Ca 0.07 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.71 4.31 -0.21 2.61 2.01 -1.26 -2.31 115.64 118.08 2jtd s THR 90 Ca 0.00 1.17 -0.25 0.00 0.31 0.00 0.00 61.69 62.92 2jtd s THR 90 Cb 0.00 -4.54 -0.01 0.00 0.01 0.00 0.00 72.50 67.96 2jtd s THR 90 CO 0.00 -0.90 0.82 -0.31 -0.69 0.00 0.00 174.62 173.54 2jtd s TYR 91 N 4.19 3.36 -0.20 4.92 2.02 0.15 -0.84 117.35 130.95 2jtd s TYR 91 Ca 0.45 1.19 0.00 0.00 -0.37 0.00 0.00 57.07 58.34 2jtd s TYR 91 Cb -0.08 -3.02 0.05 0.00 -0.40 0.00 0.00 41.96 38.50 2jtd s TYR 91 CO 0.28 -0.32 -0.07 0.99 -1.57 0.00 0.00 175.55 174.87 2jtd s THR 92 N 2.49 1.42 -0.35 -0.71 2.01 0.10 -0.71 115.64 119.89 2jtd s THR 92 Ca 0.36 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.39 2jtd s THR 92 Cb -0.16 -1.60 0.08 0.00 0.01 0.00 0.00 72.50 70.84 2jtd s THR 92 CO 0.10 0.06 0.10 -0.36 -0.69 0.00 0.00 174.62 173.83 2jtd s PHE 93 N 1.48 3.47 -0.29 4.92 0.40 -1.12 -2.50 117.98 124.34 2jtd s PHE 93 Ca -0.02 -2.25 -0.12 0.00 -0.60 0.00 0.00 56.93 53.93 2jtd s PHE 93 Cb -0.17 -2.72 -0.04 0.00 0.51 0.00 0.00 43.02 40.60 2jtd s PHE 93 CO -0.07 -0.90 0.24 -1.14 0.70 0.00 0.00 175.22 174.05 2jtd s GLN 94 N 1.16 3.87 -0.25 0.44 0.74 -1.25 -2.97 119.66 121.39 2jtd s GLN 94 Ca 0.03 -0.31 0.02 0.00 0.05 0.00 0.00 55.36 55.15 2jtd s GLN 94 Cb -0.21 -3.69 0.06 0.00 1.10 0.00 0.00 33.01 30.27 2jtd s GLN 94 CO -0.03 -0.26 -0.08 0.42 -0.55 0.00 0.00 175.29 174.78 2jtd s ILE 95 N 1.83 1.89 -0.49 -2.34 1.01 0.41 -2.12 121.20 121.40 2jtd s ILE 95 Ca 0.09 -1.47 -0.18 0.00 0.00 0.00 0.00 60.65 59.09 2jtd s ILE 95 Cb -0.16 -2.07 0.06 0.00 0.01 0.00 0.00 42.46 40.29 2jtd s ILE 95 CO 0.11 -0.07 0.54 -1.58 0.00 0.00 0.00 174.94 173.94 2jtd s GLN 96 N 1.23 3.08 -0.74 2.79 0.74 -0.63 0.69 119.66 126.81 2jtd s GLN 96 Ca -0.07 -1.01 -0.05 0.00 0.05 0.00 0.00 55.36 54.27 2jtd s GLN 96 Cb -0.19 -4.10 0.19 0.00 1.10 0.00 0.00 33.01 30.01 2jtd s GLN 96 CO -0.06 -1.14 0.61 0.34 -0.55 0.00 0.00 175.29 174.49 2jtd s ASP 97 N 2.60 5.81 0.00 6.67 2.15 -0.65 -0.24 116.67 133.00 2jtd s ASP 97 Ca 0.12 -3.02 0.00 0.00 0.43 0.00 0.00 52.55 50.08 2jtd s ASP 97 Cb -0.20 -1.96 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 2jtd s ASP 97 CO 0.11 -0.38 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 2jtd n GLY 98 N 3.34 1.18 1.34 2.66 0.00 -1.01 -3.51 105.19 109.19 2jtd n GLY 98 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -2.62 1.61 5.02 -1.26 -5.08 118.16 115.83 2jtd n LYS 99 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 2jtd n LYS 99 Cb 0.00 -0.24 -0.05 0.00 -0.02 0.00 0.00 35.03 34.73 2jtd n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jtd s ALA 100 N -2.00 2.96 -0.28 7.82 0.00 -1.23 -5.04 121.76 123.99 2jtd s ALA 100 Ca 0.00 0.56 -0.04 0.00 0.00 0.00 0.00 51.96 52.48 2jtd s ALA 100 Cb 0.00 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.91 2jtd s ALA 100 CO 0.00 -0.17 0.02 0.95 0.00 0.00 0.00 175.76 176.56 2jtd s THR 101 N -1.98 3.43 0.52 0.00 -4.23 -1.26 -1.64 115.64 110.49 2jtd s THR 101 Ca 0.64 -0.90 -0.19 0.00 -1.18 0.00 0.00 61.69 60.06 2jtd s THR 101 Cb -0.15 -2.78 -0.07 0.00 1.34 0.00 0.00 72.50 70.83 2jtd s THR 101 CO 0.19 0.10 1.06 -0.83 -0.54 0.00 0.00 174.62 174.60 2jtd s GLY 102 N 1.40 2.43 -0.29 3.99 0.00 0.22 -4.87 107.32 110.20 2jtd s GLY 102 Ca 0.01 0.59 -0.16 0.00 0.00 0.00 0.00 44.72 45.16 2jtd s GLY 102 CO -0.01 0.92 0.93 -2.38 0.00 0.00 0.00 173.10 172.56 2jtd s HIS 103 N -2.06 -0.66 -0.01 1.90 -3.43 -1.26 -0.44 115.29 109.32 2jtd s HIS 103 Ca 0.67 1.30 -0.00 0.00 -0.80 0.00 0.00 55.06 56.23 2jtd s HIS 103 Cb -0.18 0.40 0.02 0.00 -1.43 0.00 0.00 32.58 31.39 2jtd s HIS 103 CO 0.25 -0.33 0.02 0.45 -2.00 0.00 0.00 174.74 173.14 2jtd s SER 104 N 1.50 0.03 -0.28 7.38 0.15 -1.16 -4.73 113.70 116.59 2jtd s SER 104 Ca -0.09 0.03 -0.09 0.00 0.70 0.00 0.00 55.95 56.51 2jtd s SER 104 Cb -0.04 -0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.22 2jtd s SER 104 CO -0.16 -0.08 0.12 -0.89 1.20 0.00 0.00 173.24 173.44 2jtd s THR 105 N 0.62 4.56 -0.33 6.45 2.01 -1.26 -2.79 115.64 124.89 2jtd s THR 105 Ca -0.05 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.72 2jtd s THR 105 Cb -0.07 -3.23 0.10 0.00 0.01 0.00 0.00 72.50 69.31 2jtd s THR 105 CO -0.02 0.20 0.06 -0.22 -0.69 0.00 0.00 174.62 173.95 2jtd s LEU 106 N 1.63 4.17 -0.32 4.42 1.98 0.12 -5.00 118.68 125.67 2jtd s LEU 106 Ca 0.06 -2.03 -0.10 0.00 -2.89 0.00 0.00 54.13 49.17 2jtd s LEU 106 Cb -0.16 -1.45 0.00 0.00 0.66 0.00 0.00 46.19 45.24 2jtd s LEU 106 CO 0.06 -0.39 0.16 0.54 -1.89 0.00 0.00 176.35 174.83 2jtd s VAL 107 N 1.07 4.54 -0.32 1.68 0.11 -1.26 0.29 120.40 126.50 2jtd s VAL 107 Ca 0.11 -0.54 0.03 0.00 -2.93 0.00 0.00 61.98 58.64 2jtd s VAL 107 Cb -0.19 -3.37 0.09 0.00 -1.53 0.00 0.00 36.38 31.39 2jtd s VAL 107 CO -0.12 -0.00 0.01 -0.76 -3.33 0.00 0.00 175.10 170.90 2jtd s LEU 108 N 1.59 4.38 -0.11 2.54 1.43 -0.98 -4.47 118.68 123.06 2jtd s LEU 108 Ca 0.04 -1.89 -0.05 0.00 -1.03 0.00 0.00 54.13 51.19 2jtd s LEU 108 Cb -0.18 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.47 2jtd s LEU 108 CO 0.06 -0.33 0.25 -0.63 0.23 0.00 0.00 176.35 175.93 2jtd s ILE 109 N 0.99 -0.15 0.00 -0.59 1.01 -1.26 -1.75 121.20 119.44 2jtd s ILE 109 Ca 0.04 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.88 2jtd s ILE 109 Cb -0.20 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 41.87 2jtd s ILE 109 CO -0.07 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.56 2jtd n GLY 110 N 4.57 2.04 0.18 6.18 0.00 -1.26 0.22 105.19 117.12 2jtd n GLY 110 Ca -0.19 0.46 0.05 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.37 1.61 3.58 -2.01 -3.26 116.42 115.97 2jtd h ASP 111 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2jtd h ASP 111 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2jtd h ASP 111 CO 0.00 0.40 0.05 0.58 -2.88 0.00 0.00 179.24 177.39 2jtd h VAL 112 N 0.00 1.24 0.00 2.25 2.07 -0.60 -2.99 116.25 118.22 2jtd h VAL 112 Ca -0.00 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 2jtd h VAL 112 Cb 1.04 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2jtd h VAL 112 CO 0.05 0.30 -0.16 0.10 0.02 0.00 0.00 177.57 177.88 2jtd h TYR 113 N 0.46 0.00 0.00 1.57 -0.00 -1.58 -1.61 116.97 115.81 2jtd h TYR 113 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.84 2jtd h TYR 113 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.11 2jtd h TYR 113 CO 0.03 0.16 0.00 1.57 -0.00 0.00 0.00 178.16 179.92 2jtd h LYS 114 N 0.00 0.00 -0.10 0.10 5.09 -1.66 -1.28 116.57 118.71 2jtd h LYS 114 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.71 2jtd h LYS 114 Cb 0.44 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.77 2jtd h LYS 114 CO 0.02 0.00 -0.06 -0.22 -2.09 0.00 0.00 179.45 177.11 2jtd h LYS 115 N 0.00 0.22 -0.24 0.07 3.64 -1.31 -1.55 116.57 117.41 2jtd h LYS 115 Ca 0.00 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.20 2jtd h LYS 115 Cb 0.80 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 2jtd h LYS 115 CO 0.00 0.58 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.48 2jtd h LEU 116 N -0.14 0.43 -1.19 5.20 -0.00 -1.51 -2.26 115.31 115.84 2jtd h LEU 116 Ca 0.02 -0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 57.76 2jtd h LEU 116 Cb 0.52 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 41.03 2jtd h LEU 116 CO 0.02 0.66 0.38 1.56 -0.00 0.00 0.00 178.44 181.05 2jtd h GLN 117 N 0.39 0.94 -0.52 1.13 7.50 -1.12 -0.49 115.11 122.93 2jtd h GLN 117 Ca 0.06 -0.09 -0.06 0.00 0.50 0.00 0.00 58.65 59.06 2jtd h GLN 117 Cb 0.60 -0.19 -0.02 0.00 0.05 0.00 0.00 27.48 27.91 2jtd h GLN 117 CO 0.04 0.68 0.07 0.87 -1.50 0.00 0.00 178.83 179.00 2jtd h LYS 118 N 0.95 0.83 0.00 1.46 1.57 -0.70 -2.64 116.57 118.03 2jtd h LYS 118 Ca 0.24 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2jtd h LYS 118 Cb 0.01 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2jtd h LYS 118 CO -0.04 0.78 -0.11 0.39 -0.57 0.00 0.00 179.45 179.91 2jtd n GLU 119 N -4.25 0.06 0.04 3.15 -0.58 -0.72 -4.24 120.64 114.10 2jtd n GLU 119 Ca 0.03 0.04 -0.02 0.00 -0.42 0.00 0.00 57.16 56.79 2jtd n GLU 119 Cb 0.26 -1.56 -0.01 0.00 -0.57 0.00 0.00 31.44 29.56 2jtd n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jtd h ALA 120 N 2.90 -0.33 -3.00 0.62 0.00 -0.74 -3.50 119.26 115.22 2jtd h ALA 120 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jtd h ALA 120 Cb 0.55 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2jtd h ALA 120 CO 0.00 -0.32 0.00 0.39 0.00 0.00 0.00 179.25 179.32 2jtd n GLU 121 N -2.96 2.71 -0.84 0.00 1.02 -1.24 -4.91 120.64 114.43 2jtd n GLU 121 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2jtd n GLU 121 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 2jtd n GLU 121 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50