#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtd s GLU 2 N 0.00 3.55 0.75 3.49 2.02 -1.26 -5.04 118.70 122.20 2jtd s GLU 2 Ca 0.00 -2.36 -0.04 0.00 0.02 0.00 0.00 54.97 52.59 2jtd s GLU 2 Cb 0.00 -4.44 0.12 0.00 0.10 0.00 0.00 34.13 29.91 2jtd s GLU 2 CO 0.00 -1.32 1.04 -1.21 0.02 0.00 0.00 175.26 173.78 2jtd s GLU 3 N 0.43 1.64 0.12 1.61 0.41 -1.26 -4.96 118.70 116.69 2jtd s GLU 3 Ca 0.17 -0.84 0.19 0.00 -0.41 0.00 0.00 54.97 54.08 2jtd s GLU 3 Cb -0.12 -2.24 0.79 0.00 -1.78 0.00 0.00 34.13 30.79 2jtd s GLU 3 CO -0.08 -1.52 1.59 0.00 -0.49 0.00 0.00 175.26 174.75 2jtd n MET 4 N -2.97 0.09 0.07 1.61 0.00 -1.26 -3.33 117.12 111.33 2jtd n MET 4 Ca 0.13 0.32 0.18 0.00 0.00 0.00 0.00 57.70 58.33 2jtd n MET 4 Cb 0.60 -1.67 0.70 0.00 0.00 0.00 0.00 33.22 32.86 2jtd n MET 4 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2jtd h LYS 5 N 0.00 0.00 -0.04 3.17 1.57 -2.00 -1.62 116.57 117.65 2jtd h LYS 5 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2jtd h LYS 5 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2jtd h LYS 5 CO 0.00 0.00 -0.14 -0.09 -0.57 0.00 0.00 179.45 178.65 2jtd h ARG 6 N 0.00 0.16 0.00 3.15 2.43 -1.96 -3.30 114.38 114.86 2jtd h ARG 6 Ca 0.19 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2jtd h ARG 6 Cb 0.80 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 2jtd h ARG 6 CO -0.00 0.76 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.95 2jtd h LEU 7 N -0.40 0.00 -1.34 3.80 -0.00 -1.54 -0.59 115.31 115.24 2jtd h LEU 7 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.82 2jtd h LEU 7 Cb 0.77 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.42 2jtd h LEU 7 CO 0.03 0.19 -0.12 -0.07 -0.00 0.00 0.00 178.44 178.46 2jtd h LEU 8 N 0.00 0.28 0.00 1.67 3.38 -1.54 -3.32 115.31 115.78 2jtd h LEU 8 Ca -0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2jtd h LEU 8 Cb 0.45 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2jtd h LEU 8 CO 0.02 0.43 -0.70 0.00 0.09 0.00 0.00 178.44 178.28 2jtd n ALA 9 N -2.49 0.57 -1.88 1.53 0.00 -0.66 -4.82 120.51 112.76 2jtd n ALA 9 Ca -0.00 -0.51 -0.36 0.00 0.00 0.00 0.00 53.44 52.57 2jtd n ALA 9 Cb 0.28 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 2jtd n ALA 9 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jtd s LEU 10 N -8.12 3.30 -0.17 0.00 0.20 -0.32 -4.90 118.68 108.66 2jtd s LEU 10 Ca -0.19 0.47 -0.06 0.00 0.69 0.00 0.00 54.13 55.03 2jtd s LEU 10 Cb 0.03 -2.52 0.08 0.00 -0.43 0.00 0.00 46.19 43.34 2jtd s LEU 10 CO 0.29 -2.61 0.37 -0.55 -0.29 0.00 0.00 176.35 173.56 2jtd s SER 11 N 9.40 -0.12 -0.20 3.68 0.15 -1.26 -4.68 113.70 120.67 2jtd s SER 11 Ca 0.77 0.86 -0.03 0.00 0.70 0.00 0.00 55.95 58.25 2jtd s SER 11 Cb -0.13 1.08 0.01 0.00 -1.71 0.00 0.00 66.02 65.27 2jtd s SER 11 CO 0.20 -0.23 0.07 0.00 1.20 0.00 0.00 173.24 174.48 2jtd n GLN 12 N 5.23 -2.97 -1.96 5.44 1.13 -1.26 -4.92 117.38 118.07 2jtd n GLN 12 Ca -0.10 2.43 -0.42 0.00 -1.94 0.00 0.00 57.00 56.97 2jtd n GLN 12 Cb 0.50 -4.25 -0.03 0.00 0.11 0.00 0.00 30.24 26.58 2jtd n GLN 12 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2jtd s GLU 13 N -1.06 4.21 -0.30 -1.09 8.01 -1.26 -4.97 118.70 122.24 2jtd s GLU 13 Ca -0.08 2.30 0.00 0.00 0.01 0.00 0.00 54.97 57.20 2jtd s GLU 13 Cb 0.01 -3.52 0.19 0.00 -4.31 0.00 0.00 34.13 26.50 2jtd s GLU 13 CO 0.60 -0.69 0.66 -1.58 0.01 0.00 0.00 175.26 174.25 2jtd s HIS 14 N 2.35 -1.56 0.12 1.61 2.46 -1.26 -5.14 115.29 113.88 2jtd s HIS 14 Ca 0.72 1.27 -0.12 0.00 0.47 0.00 0.00 55.06 57.41 2jtd s HIS 14 Cb -0.40 0.40 -0.06 0.00 -0.13 0.00 0.00 32.58 32.39 2jtd s HIS 14 CO 0.32 -0.88 0.49 -1.59 -2.47 0.00 0.00 174.74 170.60 2jtd s LYS 15 N 2.86 3.88 -0.22 2.88 0.00 -1.26 -5.00 119.74 122.88 2jtd s LYS 15 Ca 0.15 0.35 -0.16 0.00 0.00 0.00 0.00 55.97 56.31 2jtd s LYS 15 Cb -0.12 -2.94 -0.10 0.00 0.00 0.00 0.00 37.83 34.67 2jtd s LYS 15 CO -0.22 0.50 -0.22 0.34 0.00 0.00 0.00 175.35 175.74 2jtd n PHE 16 N 0.78 0.33 -1.94 1.78 7.35 -1.26 -5.03 117.46 119.47 2jtd n PHE 16 Ca -0.06 0.14 -0.03 0.00 -0.76 0.00 0.00 57.45 56.75 2jtd n PHE 16 Cb 0.52 -0.85 0.01 0.00 0.35 0.00 0.00 39.48 39.52 2jtd n PHE 16 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2jtd n PRO 17 N -4.40 0.35 -3.12 -7.13 -0.04 -1.26 -5.04 135.00 114.35 2jtd n PRO 17 Ca -0.32 -0.26 -0.40 0.00 -0.04 0.00 0.00 63.50 62.47 2jtd n PRO 17 Cb 0.66 -0.09 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 2jtd n PRO 17 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jtd s THR 18 N -0.45 5.01 -0.08 0.52 -4.23 -1.26 -5.05 115.64 110.10 2jtd s THR 18 Ca 0.07 1.13 -0.04 0.00 -1.18 0.00 0.00 61.69 61.67 2jtd s THR 18 Cb -0.00 -3.93 0.04 0.00 1.34 0.00 0.00 72.50 69.95 2jtd s THR 18 CO 0.05 0.07 0.19 0.54 -0.54 0.00 0.00 174.62 174.92 2jtd s VAL 19 N 2.23 -0.04 -0.19 2.29 0.11 -1.26 -5.05 120.40 118.49 2jtd s VAL 19 Ca 0.27 0.15 -0.05 0.00 -2.93 0.00 0.00 61.98 59.42 2jtd s VAL 19 Cb -0.16 -0.30 -0.18 0.00 -1.53 0.00 0.00 36.38 34.22 2jtd s VAL 19 CO 0.09 0.06 2.72 -2.65 -3.33 0.00 0.00 175.10 172.00 2jtd n PRO 20 N 4.09 1.66 -3.11 1.54 -0.02 -1.26 -4.75 135.00 133.15 2jtd n PRO 20 Ca -0.25 -0.89 0.00 0.00 -2.02 0.00 0.00 63.50 60.34 2jtd n PRO 20 Cb 0.53 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 2jtd n PRO 20 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2jtd n THR 21 N 2.85 0.00 0.33 3.45 5.66 -1.26 -4.82 114.28 120.49 2jtd n THR 21 Ca 0.36 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.42 2jtd n THR 21 Cb 0.59 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.46 2jtd n THR 21 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2jtd n LYS 22 N -0.03 1.34 -3.28 1.09 4.76 -1.26 -4.91 118.16 115.87 2jtd n LYS 22 Ca 0.00 -1.50 -0.45 0.00 -2.87 0.00 0.00 58.31 53.49 2jtd n LYS 22 Cb 0.00 -1.26 -0.06 0.00 -1.84 0.00 0.00 35.03 31.87 2jtd n LYS 22 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jtd s SER 23 N -1.05 6.18 -0.05 4.39 0.15 -1.25 -3.19 113.70 118.89 2jtd s SER 23 Ca 0.18 -1.42 0.04 0.00 0.70 0.00 0.00 55.95 55.46 2jtd s SER 23 Cb 0.12 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 62.17 2jtd s SER 23 CO 0.17 -0.82 -0.16 -0.70 1.20 0.00 0.00 173.24 172.92 2jtd s GLU 24 N 1.95 2.45 -0.53 5.44 2.12 -1.23 -4.92 118.70 123.99 2jtd s GLU 24 Ca 0.07 -0.73 -0.25 0.00 0.36 0.00 0.00 54.97 54.41 2jtd s GLU 24 Cb -0.25 -2.33 0.04 0.00 0.26 0.00 0.00 34.13 31.85 2jtd s GLU 24 CO 0.06 0.61 0.96 -1.17 -0.54 0.00 0.00 175.26 175.18 2jtd s LEU 25 N -0.70 4.01 0.06 2.70 1.98 -1.26 -1.56 118.68 123.90 2jtd s LEU 25 Ca 0.11 -0.16 0.05 0.00 -2.89 0.00 0.00 54.13 51.24 2jtd s LEU 25 Cb -0.11 -2.97 -0.04 0.00 0.66 0.00 0.00 46.19 43.73 2jtd s LEU 25 CO 0.00 -1.20 -0.07 0.00 -1.89 0.00 0.00 176.35 173.19 2jtd s ALA 26 N 4.00 3.02 -0.02 5.97 0.00 -1.07 -5.02 121.76 128.64 2jtd s ALA 26 Ca 0.34 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2jtd s ALA 26 Cb -0.11 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 22.00 2jtd s ALA 26 CO 0.22 0.64 0.02 0.54 0.00 0.00 0.00 175.76 177.18 2jtd s VAL 27 N -1.14 -0.02 -0.17 0.00 0.11 -1.26 -2.74 120.40 115.18 2jtd s VAL 27 Ca 0.20 0.17 -0.03 0.00 -2.93 0.00 0.00 61.98 59.39 2jtd s VAL 27 Cb -0.11 -0.10 -0.02 0.00 -1.53 0.00 0.00 36.38 34.62 2jtd s VAL 27 CO 0.12 0.08 -0.05 -0.70 -3.33 0.00 0.00 175.10 171.22 2jtd s GLU 28 N 0.92 3.55 -0.09 1.54 2.56 0.08 -4.99 118.70 122.27 2jtd s GLU 28 Ca -0.08 -0.57 0.02 0.00 0.00 0.00 0.00 54.97 54.34 2jtd s GLU 28 Cb -0.11 -2.91 -0.02 0.00 2.00 0.00 0.00 34.13 33.09 2jtd s GLU 28 CO -0.02 0.11 -0.14 0.42 -0.56 0.00 0.00 175.26 175.06 2jtd s ILE 29 N 0.69 3.00 -0.04 -3.70 1.09 -1.26 -0.52 121.20 120.46 2jtd s ILE 29 Ca -0.03 -0.71 0.06 0.00 -1.10 0.00 0.00 60.65 58.87 2jtd s ILE 29 Cb -0.15 -2.21 -0.02 0.00 -1.06 0.00 0.00 42.46 39.02 2jtd s ILE 29 CO 0.02 0.55 -0.21 -0.76 -0.10 0.00 0.00 174.94 174.45 2jtd s LEU 30 N -0.12 2.35 0.00 2.97 1.43 -0.35 -4.74 118.68 120.22 2jtd s LEU 30 Ca -0.02 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 2jtd s LEU 30 Cb -0.14 -1.44 0.25 0.00 0.03 0.00 0.00 46.19 44.89 2jtd s LEU 30 CO 0.04 0.32 0.76 -1.84 0.23 0.00 0.00 176.35 175.86 2jtd n GLU 31 N 2.48 0.55 0.00 1.70 -0.00 -1.26 -2.40 120.64 121.71 2jtd n GLU 31 Ca -0.17 0.00 0.13 0.00 -0.00 0.00 0.00 57.16 57.12 2jtd n GLU 31 Cb 0.52 -1.12 0.26 0.00 -0.00 0.00 0.00 31.44 31.10 2jtd n GLU 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2jtd n LYS 32 N -0.62 1.90 -1.14 3.44 5.02 -1.26 -4.93 118.16 120.57 2jtd n LYS 32 Ca 0.03 -1.41 0.00 0.00 -2.02 0.00 0.00 58.31 54.91 2jtd n LYS 32 Cb 0.01 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 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 1.29 0.83 3.09 0.72 0.00 -1.01 -5.08 105.19 105.03 2jtd n GLY 33 Ca 0.15 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.70 0.20 -0.19 1.61 2.00 -1.18 -4.36 119.66 115.04 2jtd s GLN 34 Ca 0.00 0.84 -0.00 0.00 -2.00 0.00 0.00 55.36 54.19 2jtd s GLN 34 Cb 0.00 0.07 0.01 0.00 0.80 0.00 0.00 33.01 33.89 2jtd s GLN 34 CO 0.00 -0.28 -0.15 0.54 -0.50 0.00 0.00 175.29 174.90 2jtd s VAL 35 N 2.48 2.51 -0.40 1.34 0.11 -0.87 -1.21 120.40 124.37 2jtd s VAL 35 Ca 0.00 -0.79 -0.15 0.00 -2.93 0.00 0.00 61.98 58.11 2jtd s VAL 35 Cb -0.12 -2.09 0.01 0.00 -1.53 0.00 0.00 36.38 32.66 2jtd s VAL 35 CO -0.10 0.50 0.32 -0.60 -3.33 0.00 0.00 175.10 171.89 2jtd s ARG 36 N 1.28 3.11 -0.24 1.54 3.52 0.32 -3.29 118.95 125.19 2jtd s ARG 36 Ca 0.04 -0.88 -0.10 0.00 -0.13 0.00 0.00 55.73 54.66 2jtd s ARG 36 Cb -0.14 -3.94 -0.05 0.00 -1.56 0.00 0.00 34.95 29.27 2jtd s ARG 36 CO -0.08 -0.70 0.16 0.12 -0.81 0.00 0.00 175.30 173.98 2jtd s PHE 37 N 1.79 3.29 -0.17 5.12 2.19 -0.50 -0.74 117.98 128.96 2jtd s PHE 37 Ca 0.07 0.18 -0.07 0.00 0.33 0.00 0.00 56.93 57.44 2jtd s PHE 37 Cb -0.18 -2.27 0.07 0.00 -1.31 0.00 0.00 43.02 39.33 2jtd s PHE 37 CO 0.11 0.03 0.37 1.67 1.83 0.00 0.00 175.22 179.23 2jtd s TRP 38 N 1.13 -0.63 0.07 10.12 1.48 -1.11 -0.34 118.94 129.66 2jtd s TRP 38 Ca 0.07 1.29 0.07 0.00 -1.06 0.00 0.00 56.10 56.47 2jtd s TRP 38 Cb -0.14 0.20 -0.04 0.00 -1.16 0.00 0.00 33.47 32.34 2jtd s TRP 38 CO 0.05 -0.40 -0.13 0.00 -4.06 0.00 0.00 176.95 172.41 2jtd s MET 39 N 2.11 2.13 0.28 3.25 0.23 -0.33 -2.60 119.30 124.38 2jtd s MET 39 Ca -0.04 -0.98 0.03 0.00 -1.03 0.00 0.00 55.69 53.67 2jtd s MET 39 Cb -0.11 -2.28 -0.03 0.00 -1.53 0.00 0.00 34.83 30.88 2jtd s MET 39 CO -0.12 0.53 0.43 -0.65 -2.03 0.00 0.00 175.02 173.19 2jtd s GLN 40 N -1.84 3.46 0.07 3.16 -0.21 -0.60 -2.58 119.66 121.11 2jtd s GLN 40 Ca 0.18 -0.58 -0.27 0.00 0.02 0.00 0.00 55.36 54.71 2jtd s GLN 40 Cb -0.11 -2.80 0.09 0.00 1.00 0.00 0.00 33.01 31.19 2jtd s GLN 40 CO 0.10 0.32 1.04 0.00 -2.12 0.00 0.00 175.29 174.62 2jtd s ALA 41 N -2.10 -1.84 -0.02 6.09 0.00 -1.18 -3.51 121.76 119.20 2jtd s ALA 41 Ca 0.36 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2jtd s ALA 41 Cb -0.09 0.49 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 2jtd s ALA 41 CO 0.32 -0.96 0.15 -0.85 0.00 0.00 0.00 175.76 174.42 2jtd n GLU 42 N -0.41 4.75 -4.94 0.00 0.28 -1.26 -4.79 120.64 114.26 2jtd n GLU 42 Ca -0.07 -0.14 -0.26 0.00 -0.16 0.00 0.00 57.16 56.53 2jtd n GLU 42 Cb 0.61 -0.65 -0.16 0.00 1.43 0.00 0.00 31.44 32.68 2jtd n GLU 42 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2jtd s LYS 43 N -0.76 1.63 0.00 3.44 2.47 -1.26 -5.01 119.74 120.25 2jtd s LYS 43 Ca 0.00 -0.69 0.00 0.00 -1.56 0.00 0.00 55.97 53.72 2jtd s LYS 43 Cb 0.00 -1.55 0.00 0.00 -1.46 0.00 0.00 37.83 34.83 2jtd s LYS 43 CO 0.01 0.40 0.00 1.47 0.16 0.00 0.00 175.35 177.39 2jtd n LEU 44 N 2.67 0.00 -4.32 5.43 -0.00 -1.26 -4.96 117.00 114.57 2jtd n LEU 44 Ca -0.15 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.46 2jtd n LEU 44 Cb 0.53 -0.18 -0.12 0.00 -0.00 0.00 0.00 43.42 43.66 2jtd n LEU 44 CO 0.24 -0.34 -0.20 -0.55 -0.00 0.00 0.00 177.39 176.54 2jtd s SER 45 N -3.05 5.54 0.00 1.45 0.15 -1.26 -4.51 113.70 112.02 2jtd s SER 45 Ca 0.00 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.53 2jtd s SER 45 Cb 0.00 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 2jtd s SER 45 CO 0.00 -0.38 0.00 -1.20 1.20 0.00 0.00 173.24 172.86 2jtd n SER 46 N 4.90 0.00 0.00 5.45 7.64 -1.26 -4.97 113.62 125.39 2jtd n SER 46 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2jtd n SER 46 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2jtd n SER 46 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jtd n ASN 47 N -0.54 0.42 -4.55 6.43 4.13 -1.26 -5.00 115.26 114.89 2jtd n ASN 47 Ca 0.00 -1.19 -0.41 0.00 1.68 0.00 0.00 54.58 54.65 2jtd n ASN 47 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 2jtd n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jtd s ALA 48 N -0.19 2.77 -0.13 5.41 0.00 -1.26 -4.92 121.76 123.43 2jtd s ALA 48 Ca 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 51.96 49.71 2jtd s ALA 48 Cb 0.00 -4.47 -0.03 0.00 0.00 0.00 0.00 23.12 18.63 2jtd s ALA 48 CO 0.00 -3.54 -0.04 -1.59 0.00 0.00 0.00 175.76 170.60 2jtd s LYS 49 N 4.86 3.44 -0.32 0.00 -2.85 -1.26 -4.88 119.74 118.73 2jtd s LYS 49 Ca 0.44 -0.51 -0.10 0.00 -1.00 0.00 0.00 55.97 54.81 2jtd s LYS 49 Cb -0.01 -2.85 0.00 0.00 -2.06 0.00 0.00 37.83 32.91 2jtd s LYS 49 CO -0.08 0.37 0.16 0.54 0.10 0.00 0.00 175.35 176.45 2jtd s VAL 50 N 0.01 4.58 -0.10 1.79 0.11 -1.26 -4.61 120.40 120.91 2jtd s VAL 50 Ca 0.01 -0.53 -0.13 0.00 -2.93 0.00 0.00 61.98 58.40 2jtd s VAL 50 Cb -0.13 -3.38 -0.05 0.00 -1.53 0.00 0.00 36.38 31.29 2jtd s VAL 50 CO 0.03 0.00 0.31 -0.55 -3.33 0.00 0.00 175.10 171.55 2jtd s SER 51 N 1.60 6.56 -0.64 3.54 0.15 -1.26 -5.05 113.70 118.60 2jtd s SER 51 Ca 0.04 0.66 -0.14 0.00 0.70 0.00 0.00 55.95 57.21 2jtd s SER 51 Cb -0.18 -2.19 0.16 0.00 -1.71 0.00 0.00 66.02 62.11 2jtd s SER 51 CO 0.06 0.24 0.58 -0.31 1.20 0.00 0.00 173.24 175.01 2jtd s TYR 52 N -0.36 3.45 -0.26 3.44 2.02 -1.26 -4.31 117.35 120.07 2jtd s TYR 52 Ca 0.19 -1.63 -0.10 0.00 -0.37 0.00 0.00 57.07 55.15 2jtd s TYR 52 Cb -0.14 -3.76 -0.05 0.00 -0.40 0.00 0.00 41.96 37.61 2jtd s TYR 52 CO 0.07 -1.00 0.17 0.42 -1.57 0.00 0.00 175.55 173.64 2jtd s ILE 53 N 1.02 5.25 -0.26 2.71 1.09 -0.85 -3.40 121.20 126.77 2jtd s ILE 53 Ca 0.09 0.15 0.01 0.00 -1.10 0.00 0.00 60.65 59.79 2jtd s ILE 53 Cb -0.22 -3.47 0.07 0.00 -1.06 0.00 0.00 42.46 37.77 2jtd s ILE 53 CO -0.02 0.30 -0.01 0.12 -0.10 0.00 0.00 174.94 175.23 2jtd s PHE 54 N 1.40 2.39 -1.47 3.97 5.36 0.56 0.50 117.98 130.69 2jtd s PHE 54 Ca 0.07 -1.86 -0.05 0.00 -0.96 0.00 0.00 56.93 54.13 2jtd s PHE 54 Cb -0.15 -1.74 0.02 0.00 -0.34 0.00 0.00 43.02 40.82 2jtd s PHE 54 CO 0.07 -0.80 0.47 -1.71 -1.46 0.00 0.00 175.22 171.79 2jtd n ASN 55 N 4.67 -5.30 -0.66 6.13 4.05 0.64 -0.33 115.26 124.45 2jtd n ASN 55 Ca -0.08 -0.25 -0.09 0.00 0.45 0.00 0.00 54.58 54.61 2jtd n ASN 55 Cb 0.44 -4.33 -0.04 0.00 1.23 0.00 0.00 39.78 37.08 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 -3.76 -0.82 -4.12 1.20 1.02 -1.26 -5.01 120.64 107.89 2jtd n GLU 56 Ca -0.10 0.75 -0.29 0.00 -0.02 0.00 0.00 57.16 57.50 2jtd n GLU 56 Cb 0.61 -4.68 -0.07 0.00 -0.02 0.00 0.00 31.44 27.27 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 -2.53 2.61 -0.03 3.49 -0.14 0.55 -5.10 119.74 118.59 2jtd s LYS 57 Ca 0.00 -0.86 -0.23 0.00 -1.36 0.00 0.00 55.97 53.52 2jtd s LYS 57 Cb 0.00 -2.55 -0.04 0.00 -1.68 0.00 0.00 37.83 33.55 2jtd s LYS 57 CO 0.00 0.53 0.70 -1.21 -0.76 0.00 0.00 175.35 174.60 2jtd s GLU 58 N -2.50 4.43 0.22 1.68 2.02 -1.26 -0.32 118.70 122.97 2jtd s GLU 58 Ca 0.27 0.90 0.08 0.00 0.02 0.00 0.00 54.97 56.24 2jtd s GLU 58 Cb -0.11 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 2jtd s GLU 58 CO 0.19 0.16 0.05 0.96 0.02 0.00 0.00 175.26 176.65 2jtd s ILE 59 N 0.44 3.84 0.19 -1.63 -4.36 -1.22 -4.95 121.20 113.50 2jtd s ILE 59 Ca 0.37 -1.56 0.05 0.00 -0.26 0.00 0.00 60.65 59.24 2jtd s ILE 59 Cb -0.18 -3.00 -0.05 0.00 1.25 0.00 0.00 42.46 40.47 2jtd s ILE 59 CO 0.19 -0.25 -0.09 -0.36 0.24 0.00 0.00 174.94 174.67 2jtd s PHE 60 N -2.02 1.49 0.43 1.37 0.08 -1.26 -4.95 117.98 113.12 2jtd s PHE 60 Ca 0.30 -0.75 -0.24 0.00 0.12 0.00 0.00 56.93 56.36 2jtd s PHE 60 Cb -0.08 -0.77 -0.08 0.00 -0.57 0.00 0.00 43.02 41.52 2jtd s PHE 60 CO 0.21 0.14 1.19 -2.00 -0.10 0.00 0.00 175.22 174.65 2jtd s GLU 61 N -3.75 3.88 0.00 0.44 2.12 -1.26 -4.83 118.70 115.29 2jtd s GLU 61 Ca 0.22 1.87 0.00 0.00 0.36 0.00 0.00 54.97 57.41 2jtd s GLU 61 Cb 0.03 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.86 2jtd s GLU 61 CO 0.05 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.70 2jtd n GLY 62 N 0.56 0.28 0.00 -1.50 0.00 -0.95 -4.97 105.19 98.61 2jtd n GLY 62 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2jtd n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jtd n PRO 63 N 0.00 0.00 0.00 1.61 -0.04 -1.26 -3.63 135.00 131.68 2jtd n PRO 63 Ca 0.00 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 63.96 2jtd n PRO 63 Cb 0.00 -1.22 0.18 0.00 -0.04 0.00 0.00 33.50 32.42 2jtd n PRO 63 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2jtd n LYS 64 N -1.40 1.25 -3.35 0.54 2.85 -1.26 -4.89 118.16 111.90 2jtd n LYS 64 Ca 0.00 -0.93 -0.38 0.00 -1.05 0.00 0.00 58.31 55.95 2jtd n LYS 64 Cb 0.00 -1.48 -0.06 0.00 -0.65 0.00 0.00 35.03 32.84 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 -2.39 3.47 -0.22 5.58 2.02 -1.24 -4.10 117.35 120.48 2jtd s TYR 65 Ca 0.23 0.80 -0.06 0.00 -0.37 0.00 0.00 57.07 57.67 2jtd s TYR 65 Cb 0.19 -2.52 0.11 0.00 -0.40 0.00 0.00 41.96 39.33 2jtd s TYR 65 CO 0.50 0.13 0.43 0.21 -1.57 0.00 0.00 175.55 175.26 2jtd s LYS 66 N 0.77 0.36 0.25 -0.62 2.47 -0.97 -2.23 119.74 119.76 2jtd s LYS 66 Ca 0.23 0.96 0.09 0.00 -1.56 0.00 0.00 55.97 55.69 2jtd s LYS 66 Cb -0.15 0.21 -0.04 0.00 -1.46 0.00 0.00 37.83 36.39 2jtd s LYS 66 CO 0.09 -0.35 -0.02 -1.64 0.16 0.00 0.00 175.35 173.59 2jtd s MET 67 N 2.63 2.27 -0.29 4.03 -1.94 -1.26 0.19 119.30 124.93 2jtd s MET 67 Ca 0.02 -1.37 -0.13 0.00 -1.71 0.00 0.00 55.69 52.51 2jtd s MET 67 Cb -0.13 -2.18 0.10 0.00 2.01 0.00 0.00 34.83 34.64 2jtd s MET 67 CO -0.14 0.38 0.66 -3.38 -0.01 0.00 0.00 175.02 172.53 2jtd s HIS 68 N -2.18 -1.20 -0.29 -0.03 -3.43 -0.22 -4.98 115.29 102.96 2jtd s HIS 68 Ca 0.30 2.22 -0.07 0.00 -0.80 0.00 0.00 55.06 56.70 2jtd s HIS 68 Cb -0.07 0.71 0.00 0.00 -1.43 0.00 0.00 32.58 31.79 2jtd s HIS 68 CO 0.19 -0.60 0.09 -1.50 -2.00 0.00 0.00 174.74 170.93 2jtd s ILE 69 N 2.27 4.13 -0.71 -5.38 1.10 -1.26 -1.05 121.20 120.29 2jtd s ILE 69 Ca -0.08 -0.56 -0.26 0.00 -0.51 0.00 0.00 60.65 59.24 2jtd s ILE 69 Cb -0.09 -3.09 0.04 0.00 0.15 0.00 0.00 42.46 39.47 2jtd s ILE 69 CO -0.19 0.12 1.18 -0.62 -2.11 0.00 0.00 174.94 173.32 2jtd s ASP 70 N 1.54 6.17 -0.23 4.50 2.15 0.86 -4.83 116.67 126.83 2jtd s ASP 70 Ca 0.04 -0.60 0.10 0.00 0.43 0.00 0.00 52.55 52.51 2jtd s ASP 70 Cb -0.17 -2.52 0.66 0.00 -0.30 0.00 0.00 42.92 40.59 2jtd s ASP 70 CO 0.03 -1.71 1.58 -2.11 -0.17 0.00 0.00 175.17 172.79 2jtd n ARG 71 N 8.84 3.82 -0.05 4.34 0.00 -1.26 -1.31 116.66 131.04 2jtd n ARG 71 Ca 0.01 -2.58 -0.21 0.00 -0.00 0.00 0.00 57.85 55.06 2jtd n ARG 71 Cb 0.48 -2.11 -0.13 0.00 -0.00 0.00 0.00 32.46 30.70 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 0.26 2.05 -0.07 2.89 5.03 -1.26 -4.71 115.26 119.44 2jtd n ASN 72 Ca 0.28 0.17 -0.12 0.00 0.87 0.00 0.00 54.58 55.78 2jtd n ASN 72 Cb 1.12 -0.77 -0.06 0.00 -1.02 0.00 0.00 39.78 39.05 2jtd n ASN 72 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 2jtd n THR 73 N -3.61 0.79 0.00 3.41 -1.04 -1.25 -5.06 114.28 107.51 2jtd n THR 73 Ca -0.37 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.37 2jtd n THR 73 Cb 0.97 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 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 2.59 0.93 3.08 3.41 0.00 -0.67 -4.84 105.19 109.69 2jtd n GLY 74 Ca -0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 2jtd n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtd s ILE 75 N -0.18 1.62 -0.36 -0.61 -1.09 -0.42 -3.09 121.20 117.06 2jtd s ILE 75 Ca 0.00 -0.71 -0.15 0.00 -2.23 0.00 0.00 60.65 57.55 2jtd s ILE 75 Cb 0.00 -1.47 -0.00 0.00 -1.58 0.00 0.00 42.46 39.41 2jtd s ILE 75 CO 0.00 0.46 0.36 -0.63 -1.23 0.00 0.00 174.94 173.90 2jtd s ILE 76 N 0.95 5.17 0.01 2.92 1.01 -1.07 -0.10 121.20 130.10 2jtd s ILE 76 Ca -0.07 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.52 2jtd s ILE 76 Cb -0.15 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 2jtd s ILE 76 CO -0.02 -0.17 -0.13 -1.61 0.00 0.00 0.00 174.94 173.01 2jtd s GLU 77 N 1.99 2.32 0.03 2.79 2.02 -0.22 -1.19 118.70 126.44 2jtd s GLU 77 Ca 0.11 -0.84 0.02 0.00 0.02 0.00 0.00 54.97 54.28 2jtd s GLU 77 Cb -0.17 -2.33 -0.02 0.00 0.10 0.00 0.00 34.13 31.71 2jtd s GLU 77 CO 0.12 0.58 -0.06 1.41 0.02 0.00 0.00 175.26 177.33 2jtd s MET 78 N -1.29 0.44 -0.10 1.61 1.75 0.53 -1.06 119.30 121.18 2jtd s MET 78 Ca 0.15 -0.56 -0.00 0.00 -1.25 0.00 0.00 55.69 54.03 2jtd s MET 78 Cb -0.11 -0.24 0.02 0.00 2.84 0.00 0.00 34.83 37.35 2jtd s MET 78 CO 0.05 0.05 -0.07 0.12 -0.65 0.00 0.00 175.02 174.51 2jtd s PHE 79 N -1.02 1.38 0.10 4.11 5.36 0.13 -1.41 117.98 126.63 2jtd s PHE 79 Ca -0.08 -0.64 -0.06 0.00 -0.96 0.00 0.00 56.93 55.20 2jtd s PHE 79 Cb -0.08 -1.15 -0.02 0.00 -0.34 0.00 0.00 43.02 41.44 2jtd s PHE 79 CO 0.00 -0.45 0.13 -1.64 -1.46 0.00 0.00 175.22 171.80 2jtd s MET 80 N 1.56 0.85 0.20 10.12 -1.94 -1.21 -2.30 119.30 126.59 2jtd s MET 80 Ca 0.02 -1.13 0.00 0.00 -1.71 0.00 0.00 55.69 52.87 2jtd s MET 80 Cb -0.13 0.30 0.00 0.00 2.01 0.00 0.00 34.83 37.01 2jtd s MET 80 CO -0.06 -0.25 0.00 -0.85 -0.01 0.00 0.00 175.02 173.85 2jtd n GLU 81 N -0.05 0.00 0.00 2.03 0.28 -1.26 -2.06 120.64 119.58 2jtd n GLU 81 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 2jtd n GLU 81 Cb 0.62 -0.13 0.00 0.00 1.43 0.00 0.00 31.44 33.37 2jtd n GLU 81 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2jtd n LYS 82 N -3.35 0.00 0.00 3.44 -0.00 -1.26 -4.31 118.16 112.68 2jtd n LYS 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2jtd n LYS 82 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2jtd n LYS 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2jtd n LEU 83 N 0.00 0.00 -3.87 -5.58 4.77 -1.26 -4.84 117.00 106.22 2jtd n LEU 83 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2jtd n LEU 83 Cb 0.00 0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 2jtd n LEU 83 CO 0.00 -0.38 -0.13 -1.10 -1.33 0.00 0.00 177.39 174.45 2jtd s GLN 84 N -0.76 0.66 0.53 3.23 -0.21 -1.26 -5.02 119.66 116.83 2jtd s GLN 84 Ca 0.00 -0.64 0.20 0.00 0.02 0.00 0.00 55.36 54.94 2jtd s GLN 84 Cb 0.00 0.27 1.38 0.00 1.00 0.00 0.00 33.01 35.66 2jtd s GLN 84 CO 0.00 -0.18 2.14 -0.44 -2.12 0.00 0.00 175.29 174.68 2jtd h ASP 85 N 3.55 0.00 1.02 5.90 5.19 -1.97 0.39 116.42 130.50 2jtd h ASP 85 Ca -0.32 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 55.96 2jtd h ASP 85 Cb 1.19 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.68 2jtd h ASP 85 CO 0.48 0.00 -0.64 1.05 -3.12 0.00 0.00 179.24 177.01 2jtd h GLU 86 N 0.00 0.00 0.00 3.56 4.11 -1.97 -3.26 114.58 117.02 2jtd h GLU 86 Ca 0.05 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.27 2jtd h GLU 86 Cb 0.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2jtd h GLU 86 CO -0.00 0.64 -1.43 0.22 0.07 0.00 0.00 179.01 178.51 2jtd h ASP 87 N 0.00 0.00 -3.11 3.06 3.58 -1.22 -3.42 116.42 115.31 2jtd h ASP 87 Ca -0.01 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 2jtd h ASP 87 Cb 1.32 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.33 2jtd h ASP 87 CO 0.08 0.75 1.04 -1.61 -2.88 0.00 0.00 179.24 176.62 2jtd s GLU 88 N -2.80 3.75 0.00 0.28 8.01 0.11 -4.92 118.70 123.13 2jtd s GLU 88 Ca -0.03 1.21 0.00 0.00 0.01 0.00 0.00 54.97 56.17 2jtd s GLU 88 Cb 0.08 -3.97 0.00 0.00 -4.31 0.00 0.00 34.13 25.94 2jtd s GLU 88 CO 0.81 -1.33 0.00 0.41 0.01 0.00 0.00 175.26 175.16 2jtd n GLY 89 N 4.68 5.22 3.48 -1.39 0.00 -1.09 -4.50 105.19 111.59 2jtd n GLY 89 Ca 0.16 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 2jtd n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jtd s THR 90 N 0.30 4.91 0.01 2.61 2.01 -1.26 -1.38 115.64 122.84 2jtd s THR 90 Ca 0.00 -0.23 -0.19 0.00 0.31 0.00 0.00 61.69 61.57 2jtd s THR 90 Cb 0.00 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.25 2jtd s THR 90 CO 0.00 -0.63 0.56 -0.31 -0.69 0.00 0.00 174.62 173.54 2jtd s TYR 91 N 2.58 3.70 -0.08 4.92 2.02 0.95 -0.26 117.35 131.18 2jtd s TYR 91 Ca 0.17 1.17 0.00 0.00 -0.37 0.00 0.00 57.07 58.04 2jtd s TYR 91 Cb -0.17 -2.54 0.02 0.00 -0.40 0.00 0.00 41.96 38.87 2jtd s TYR 91 CO 0.15 0.42 -0.05 0.99 -1.57 0.00 0.00 175.55 175.49 2jtd s THR 92 N -0.44 0.74 -0.05 -0.71 2.01 0.18 0.03 115.64 117.40 2jtd s THR 92 Ca 0.29 -0.15 0.05 0.00 0.31 0.00 0.00 61.69 62.19 2jtd s THR 92 Cb -0.18 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 2jtd s THR 92 CO 0.17 0.30 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.83 2jtd s PHE 93 N 1.46 2.08 -0.13 4.92 0.40 -0.41 -2.00 117.98 124.29 2jtd s PHE 93 Ca -0.01 -0.63 -0.04 0.00 -0.60 0.00 0.00 56.93 55.65 2jtd s PHE 93 Cb -0.13 -1.38 0.06 0.00 0.51 0.00 0.00 43.02 42.08 2jtd s PHE 93 CO -0.04 -0.21 0.19 -1.14 0.70 0.00 0.00 175.22 174.72 2jtd s GLN 94 N -0.01 0.10 -0.09 0.44 0.74 -1.25 0.39 119.66 119.97 2jtd s GLN 94 Ca -0.05 0.44 -0.01 0.00 0.05 0.00 0.00 55.36 55.79 2jtd s GLN 94 Cb -0.13 -0.63 0.03 0.00 1.10 0.00 0.00 33.01 33.37 2jtd s GLN 94 CO 0.03 -0.43 -0.04 0.42 -0.55 0.00 0.00 175.29 174.72 2jtd s ILE 95 N 2.31 0.71 -0.41 -2.34 1.09 -0.54 -4.29 121.20 117.73 2jtd s ILE 95 Ca 0.04 -0.11 -0.27 0.00 -1.10 0.00 0.00 60.65 59.21 2jtd s ILE 95 Cb -0.13 -0.79 0.02 0.00 -1.06 0.00 0.00 42.46 40.50 2jtd s ILE 95 CO -0.08 0.31 1.01 -1.58 -0.10 0.00 0.00 174.94 174.50 2jtd s GLN 96 N 1.72 3.78 -0.25 2.79 0.74 -1.26 0.09 119.66 127.27 2jtd s GLN 96 Ca 0.03 0.57 0.02 0.00 0.05 0.00 0.00 55.36 56.02 2jtd s GLN 96 Cb -0.13 -3.85 0.05 0.00 1.10 0.00 0.00 33.01 30.18 2jtd s GLN 96 CO -0.06 -1.12 -0.11 0.34 -0.55 0.00 0.00 175.29 173.78 2jtd s ASP 97 N 2.09 4.20 0.00 6.67 2.15 -0.25 -4.74 116.67 126.79 2jtd s ASP 97 Ca 0.42 -1.18 0.00 0.00 0.43 0.00 0.00 52.55 52.22 2jtd s ASP 97 Cb -0.10 -1.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.96 2jtd s ASP 97 CO 0.23 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.69 2jtd n GLY 98 N 4.51 1.87 0.00 2.66 0.00 -1.26 -3.06 105.19 109.91 2jtd n GLY 98 Ca -0.16 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2jtd n GLY 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jtd n LYS 99 N 0.00 0.50 -3.18 1.61 4.81 -1.26 -5.08 118.16 115.56 2jtd n LYS 99 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 2jtd n LYS 99 Cb 0.00 -0.64 -0.06 0.00 0.02 0.00 0.00 35.03 34.35 2jtd n LYS 99 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jtd s ALA 100 N -1.27 3.40 -0.36 3.14 0.00 -1.17 -5.05 121.76 120.45 2jtd s ALA 100 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 51.96 51.84 2jtd s ALA 100 Cb 0.00 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 2jtd s ALA 100 CO 0.00 0.36 0.33 0.95 0.00 0.00 0.00 175.76 177.40 2jtd s THR 101 N -1.78 5.20 -1.19 0.00 -4.23 -1.26 -1.09 115.64 111.29 2jtd s THR 101 Ca 0.49 -0.16 -0.18 0.00 -1.18 0.00 0.00 61.69 60.66 2jtd s THR 101 Cb -0.13 -3.83 0.11 0.00 1.34 0.00 0.00 72.50 69.99 2jtd s THR 101 CO 0.19 -0.13 1.53 -0.83 -0.54 0.00 0.00 174.62 174.84 2jtd s GLY 102 N 1.73 1.85 -0.16 3.99 0.00 0.11 -4.90 107.32 109.95 2jtd s GLY 102 Ca 0.09 -2.94 -0.06 0.00 0.00 0.00 0.00 44.72 41.81 2jtd s GLY 102 CO 0.11 2.43 0.06 -2.38 0.00 0.00 0.00 173.10 173.33 2jtd s HIS 103 N 3.35 3.28 -0.00 1.90 -3.43 -1.26 -1.46 115.29 117.66 2jtd s HIS 103 Ca 0.47 0.15 0.02 0.00 -0.80 0.00 0.00 55.06 54.89 2jtd s HIS 103 Cb 0.00 -2.01 -0.00 0.00 -1.43 0.00 0.00 32.58 29.14 2jtd s HIS 103 CO 0.01 0.28 -0.05 0.45 -2.00 0.00 0.00 174.74 173.43 2jtd s SER 104 N -0.02 0.58 -0.21 7.38 0.15 0.16 -4.98 113.70 116.76 2jtd s SER 104 Ca 0.06 -0.09 -0.00 0.00 0.70 0.00 0.00 55.95 56.62 2jtd s SER 104 Cb -0.12 -0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.14 2jtd s SER 104 CO 0.01 0.06 -0.13 -0.89 1.20 0.00 0.00 173.24 173.49 2jtd s THR 105 N -0.11 2.53 -0.30 6.45 2.01 -1.26 -1.29 115.64 123.67 2jtd s THR 105 Ca 0.02 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.10 2jtd s THR 105 Cb -0.02 -2.18 0.09 0.00 0.01 0.00 0.00 72.50 70.39 2jtd s THR 105 CO -0.00 0.38 0.02 -0.22 -0.69 0.00 0.00 174.62 174.11 2jtd s LEU 106 N 1.32 3.64 -0.25 4.42 1.98 0.10 -4.98 118.68 124.91 2jtd s LEU 106 Ca 0.03 -1.77 -0.10 0.00 -2.89 0.00 0.00 54.13 49.40 2jtd s LEU 106 Cb -0.15 -1.37 -0.05 0.00 0.66 0.00 0.00 46.19 45.29 2jtd s LEU 106 CO -0.08 -0.34 0.16 0.54 -1.89 0.00 0.00 176.35 174.74 2jtd s VAL 107 N 1.17 5.29 -0.29 1.68 0.11 -1.26 -0.03 120.40 127.06 2jtd s VAL 107 Ca 0.05 0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.27 2jtd s VAL 107 Cb -0.19 -3.48 0.08 0.00 -1.53 0.00 0.00 36.38 31.27 2jtd s VAL 107 CO -0.11 0.32 0.02 -0.76 -3.33 0.00 0.00 175.10 171.24 2jtd s LEU 108 N 1.30 3.17 -0.12 2.54 1.43 -0.48 -4.55 118.68 121.98 2jtd s LEU 108 Ca 0.07 -1.62 -0.05 0.00 -1.03 0.00 0.00 54.13 51.50 2jtd s LEU 108 Cb -0.14 -1.23 0.05 0.00 0.03 0.00 0.00 46.19 44.90 2jtd s LEU 108 CO 0.07 -0.33 0.25 -0.63 0.23 0.00 0.00 176.35 175.94 2jtd s ILE 109 N 1.30 -0.22 0.00 -0.59 1.01 -1.26 -2.67 121.20 118.77 2jtd s ILE 109 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2jtd s ILE 109 Cb -0.18 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 41.87 2jtd s ILE 109 CO -0.12 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.52 2jtd n GLY 110 N 4.77 1.99 0.24 6.18 0.00 -1.26 0.54 105.19 117.66 2jtd n GLY 110 Ca -0.16 0.48 0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.32 1.61 1.82 -2.00 -2.78 116.42 114.75 2jtd h ASP 111 Ca 0.00 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.52 2jtd h ASP 111 Cb 0.00 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 2jtd h ASP 111 CO 0.00 0.13 -0.27 0.58 -1.61 0.00 0.00 179.24 178.07 2jtd h VAL 112 N 0.00 1.29 0.00 2.25 2.07 -0.28 -3.15 116.25 118.44 2jtd h VAL 112 Ca -0.00 -1.43 -0.08 0.00 0.82 0.00 0.00 66.70 66.01 2jtd h VAL 112 Cb 0.25 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2jtd h VAL 112 CO 0.02 0.46 -0.38 0.10 0.02 0.00 0.00 177.57 177.79 2jtd h TYR 113 N 0.51 0.00 0.00 1.57 -0.00 -1.37 -2.36 116.97 115.32 2jtd h TYR 113 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.77 2jtd h TYR 113 Cb 0.84 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.57 2jtd h TYR 113 CO 0.07 0.38 -0.06 1.57 -0.00 0.00 0.00 178.16 180.12 2jtd h LYS 114 N 0.00 0.00 -0.25 0.10 5.09 -1.50 0.42 116.57 120.42 2jtd h LYS 114 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.72 2jtd h LYS 114 Cb 0.95 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.27 2jtd h LYS 114 CO 0.05 0.06 0.08 -0.22 -2.09 0.00 0.00 179.45 177.32 2jtd h LYS 115 N 0.00 0.39 -0.06 0.07 3.64 -1.38 0.32 116.57 119.56 2jtd h LYS 115 Ca -0.00 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 2jtd h LYS 115 Cb 0.67 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2jtd h LYS 115 CO 0.01 0.47 -0.50 -0.07 -2.27 0.00 0.00 179.45 177.08 2jtd h LEU 116 N 0.24 0.16 0.12 5.20 -0.00 -1.47 -2.79 115.31 116.77 2jtd h LEU 116 Ca 0.08 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 2jtd h LEU 116 Cb 0.24 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 2jtd h LEU 116 CO -0.00 0.64 -0.06 -0.61 -0.00 0.00 0.00 178.44 178.41 2jtd h GLN 117 N 0.12 -0.15 0.11 1.13 5.75 -0.61 -3.33 115.11 118.12 2jtd h GLN 117 Ca 0.00 0.01 -0.35 0.00 -0.15 0.00 0.00 58.65 58.16 2jtd h GLN 117 Cb 0.93 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.50 2jtd h GLN 117 CO 0.07 0.06 -1.90 0.87 -2.65 0.00 0.00 178.83 175.28 2jtd h LYS 118 N -1.02 0.23 0.00 1.69 1.57 -0.51 -2.28 116.57 116.26 2jtd h LYS 118 Ca -0.02 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2jtd h LYS 118 Cb 0.29 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2jtd h LYS 118 CO 0.03 1.09 0.00 0.39 -0.57 0.00 0.00 179.45 180.39 2jtd n GLU 119 N -3.41 0.03 -0.12 3.15 1.02 -1.05 -2.49 120.64 117.76 2jtd n GLU 119 Ca -0.28 0.29 -0.26 0.00 -0.02 0.00 0.00 57.16 56.89 2jtd n GLU 119 Cb 1.05 -1.56 -0.11 0.00 -0.02 0.00 0.00 31.44 30.80 2jtd n GLU 119 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jtd n ALA 120 N -1.54 1.14 -3.64 0.62 0.00 -1.24 -4.96 120.51 110.88 2jtd n ALA 120 Ca 0.03 -0.96 -0.22 0.00 0.00 0.00 0.00 53.44 52.29 2jtd n ALA 120 Cb 0.17 -0.08 -0.17 0.00 0.00 0.00 0.00 19.45 19.37 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 -2.49 -0.01 0.00 0.00 0.41 -0.86 -5.11 118.70 110.64 2jtd s GLU 121 Ca -0.36 0.20 0.00 0.00 -0.41 0.00 0.00 54.97 54.41 2jtd s GLU 121 Cb 0.12 -1.03 0.00 0.00 -1.78 0.00 0.00 34.13 31.44 2jtd s GLU 121 CO 0.54 -0.47 0.00 1.19 -0.49 0.00 0.00 175.26 176.03