#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 1.82 0.49 3.49 2.12 -1.26 -5.08 118.70 120.28 2jtd s GLU 2 Ca 0.00 -0.39 0.06 0.00 0.36 0.00 0.00 54.97 55.00 2jtd s GLU 2 Cb 0.00 -1.71 0.01 0.00 0.26 0.00 0.00 34.13 32.68 2jtd s GLU 2 CO 0.00 -0.19 0.35 -1.83 -0.54 0.00 0.00 175.26 173.05 2jtd s GLU 3 N 1.40 2.30 0.43 4.30 4.04 -1.26 -5.02 118.70 124.89 2jtd s GLU 3 Ca 0.00 -1.90 0.14 0.00 0.04 0.00 0.00 54.97 53.25 2jtd s GLU 3 Cb -0.13 -2.12 0.93 0.00 0.02 0.00 0.00 34.13 32.83 2jtd s GLU 3 CO -0.06 -0.44 1.94 1.98 -1.84 0.00 0.00 175.26 176.85 2jtd h MET 4 N 0.94 0.00 0.00 -4.83 1.85 -2.01 -2.33 114.93 108.55 2jtd h MET 4 Ca -0.39 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 58.66 2jtd h MET 4 Cb 1.29 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.31 2jtd h MET 4 CO 0.60 0.24 -0.18 -0.22 -0.40 0.00 0.00 176.91 176.95 2jtd h LYS 5 N 0.00 0.00 -0.48 0.39 3.64 -1.99 -0.76 116.57 117.38 2jtd h LYS 5 Ca -0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2jtd h LYS 5 Cb 0.42 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2jtd h LYS 5 CO 0.03 0.18 0.11 -0.09 -2.27 0.00 0.00 179.45 177.41 2jtd h ARG 6 N 0.00 0.72 0.00 1.90 2.43 -1.82 -1.72 114.38 115.89 2jtd h ARG 6 Ca -0.00 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 58.95 2jtd h ARG 6 Cb 0.35 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2jtd h ARG 6 CO 0.02 0.66 -0.38 -0.07 -1.51 0.00 0.00 179.97 178.68 2jtd h LEU 7 N 0.70 0.00 -0.15 3.80 4.07 -1.24 0.11 115.31 122.60 2jtd h LEU 7 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.12 2jtd h LEU 7 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2jtd h LEU 7 CO -0.00 0.38 0.00 -0.07 -1.08 0.00 0.00 178.44 177.67 2jtd h LEU 8 N 0.00 0.00 0.05 1.67 4.07 -1.07 -3.27 115.31 116.76 2jtd h LEU 8 Ca -0.00 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.66 2jtd h LEU 8 Cb 0.82 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.53 2jtd h LEU 8 CO 0.05 0.00 -1.59 0.00 -1.08 0.00 0.00 178.44 175.82 2jtd n ALA 9 N -1.81 0.84 -1.39 1.53 0.00 -0.45 -4.90 120.51 114.34 2jtd n ALA 9 Ca 0.05 -0.54 -0.53 0.00 0.00 0.00 0.00 53.44 52.41 2jtd n ALA 9 Cb 0.40 -0.59 -0.09 0.00 0.00 0.00 0.00 19.45 19.17 2jtd n ALA 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jtd n LEU 10 N -4.05 1.63 0.00 0.00 7.99 0.27 -4.69 117.00 118.15 2jtd n LEU 10 Ca -0.33 0.47 -0.08 0.00 -0.01 0.00 0.00 56.01 56.06 2jtd n LEU 10 Cb 0.83 -1.14 0.02 0.00 -0.11 0.00 0.00 43.42 43.03 2jtd n LEU 10 CO 0.28 -0.76 0.14 -0.24 -1.51 0.00 0.00 177.39 175.29 2jtd n SER 11 N 9.27 0.93 -4.51 -1.43 2.88 -1.26 -4.98 113.62 114.52 2jtd n SER 11 Ca 0.46 -1.63 -0.43 0.00 -1.33 0.00 0.00 58.87 55.95 2jtd n SER 11 Cb 0.14 -0.16 -0.04 0.00 -0.75 0.00 0.00 64.21 63.40 2jtd n SER 11 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2jtd s GLN 12 N -3.04 3.29 -0.05 -1.46 -0.21 -1.26 -4.90 119.66 112.03 2jtd s GLN 12 Ca 0.23 -0.39 0.08 0.00 0.02 0.00 0.00 55.36 55.31 2jtd s GLN 12 Cb -0.02 -4.07 0.33 0.00 1.00 0.00 0.00 33.01 30.25 2jtd s GLN 12 CO 0.15 -1.46 1.16 -0.85 -2.12 0.00 0.00 175.29 172.17 2jtd n GLU 13 N 7.28 2.20 -3.20 2.91 0.00 -1.26 -4.77 120.64 123.79 2jtd n GLU 13 Ca 0.00 -1.29 -0.44 0.00 0.00 0.00 0.00 57.16 55.44 2jtd n GLU 13 Cb 0.47 -1.52 -0.07 0.00 0.00 0.00 0.00 31.44 30.33 2jtd n GLU 13 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2jtd s HIS 14 N -1.66 3.09 0.36 -1.84 2.46 -1.26 -4.98 115.29 111.46 2jtd s HIS 14 Ca 0.23 -0.49 -0.04 0.00 0.47 0.00 0.00 55.06 55.24 2jtd s HIS 14 Cb 0.15 -3.36 -0.04 0.00 -0.13 0.00 0.00 32.58 29.20 2jtd s HIS 14 CO 0.12 -0.93 0.62 0.15 -2.47 0.00 0.00 174.74 172.23 2jtd s LYS 15 N 2.47 3.58 -0.23 2.88 -0.14 -1.26 -5.04 119.74 121.99 2jtd s LYS 15 Ca 0.14 -0.01 -0.16 0.00 -1.36 0.00 0.00 55.97 54.58 2jtd s LYS 15 Cb -0.19 -2.57 -0.12 0.00 -1.68 0.00 0.00 37.83 33.27 2jtd s LYS 15 CO 0.13 0.08 -0.20 1.19 -0.76 0.00 0.00 175.35 175.78 2jtd n PHE 16 N -1.51 0.32 -1.87 3.18 3.01 -1.26 -4.58 117.46 114.76 2jtd n PHE 16 Ca -0.02 0.14 -0.38 0.00 1.01 0.00 0.00 57.45 58.21 2jtd n PHE 16 Cb 0.55 -0.92 -0.04 0.00 -0.01 0.00 0.00 39.48 39.06 2jtd n PHE 16 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2jtd n PRO 17 N -4.36 2.09 -1.81 -1.08 -0.04 -1.26 -4.95 135.00 123.58 2jtd n PRO 17 Ca -0.39 -2.49 -0.31 0.00 -0.04 0.00 0.00 63.50 60.28 2jtd n PRO 17 Cb 0.73 -3.39 0.03 0.00 -0.04 0.00 0.00 33.50 30.82 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 6.80 4.32 0.04 0.52 -4.23 -1.26 -5.08 115.64 116.75 2jtd s THR 18 Ca 0.59 0.75 0.03 0.00 -1.18 0.00 0.00 61.69 61.89 2jtd s THR 18 Cb 0.07 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 2jtd s THR 18 CO 0.09 -0.99 0.01 0.68 -0.54 0.00 0.00 174.62 173.87 2jtd s VAL 19 N -3.19 4.13 0.04 2.29 -7.23 -1.26 -5.07 120.40 110.10 2jtd s VAL 19 Ca 0.56 -0.78 -0.17 0.00 -1.81 0.00 0.00 61.98 59.79 2jtd s VAL 19 Cb -0.12 -2.91 -0.08 0.00 0.56 0.00 0.00 36.38 33.83 2jtd s VAL 19 CO 0.54 0.25 1.26 1.55 -0.31 0.00 0.00 175.10 178.38 2jtd h PRO 20 N 3.87 -0.49 -7.34 4.82 0.13 -2.04 -3.42 132.00 127.53 2jtd h PRO 20 Ca -0.48 0.03 -0.51 0.00 -0.87 0.00 0.00 66.00 64.17 2jtd h PRO 20 Cb 1.17 0.11 0.11 0.00 0.13 0.00 0.00 31.00 32.52 2jtd h PRO 20 CO 0.59 -0.33 0.35 0.99 -0.23 0.00 0.00 178.00 179.37 2jtd s THR 21 N -4.32 3.73 -0.42 1.56 2.01 -1.26 -5.01 115.64 111.92 2jtd s THR 21 Ca -0.08 0.56 -0.09 0.00 0.31 0.00 0.00 61.69 62.38 2jtd s THR 21 Cb 0.02 -3.23 0.08 0.00 0.01 0.00 0.00 72.50 69.38 2jtd s THR 21 CO 0.28 -0.73 0.27 -0.54 -0.69 0.00 0.00 174.62 173.20 2jtd s LYS 22 N -5.01 2.61 -0.14 4.92 -0.14 -1.26 -4.73 119.74 115.99 2jtd s LYS 22 Ca 0.59 -1.47 0.12 0.00 -1.36 0.00 0.00 55.97 53.86 2jtd s LYS 22 Cb -0.15 -3.80 0.28 0.00 -1.68 0.00 0.00 37.83 32.48 2jtd s LYS 22 CO 0.55 -0.96 1.21 0.45 -0.76 0.00 0.00 175.35 175.84 2jtd n SER 23 N 4.92 -0.37 -4.60 2.83 2.88 -0.82 -2.11 113.62 116.36 2jtd n SER 23 Ca -0.10 -2.07 -0.43 0.00 -1.33 0.00 0.00 58.87 54.95 2jtd n SER 23 Cb 0.43 0.18 -0.03 0.00 -0.75 0.00 0.00 64.21 64.04 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 -0.54 3.30 -0.25 -1.46 2.56 -0.34 -4.47 118.70 117.49 2jtd s GLU 24 Ca 0.13 1.33 -0.06 0.00 0.00 0.00 0.00 54.97 56.37 2jtd s GLU 24 Cb 0.25 -4.20 -0.02 0.00 2.00 0.00 0.00 34.13 32.17 2jtd s GLU 24 CO -0.08 -1.90 0.05 -1.17 -0.56 0.00 0.00 175.26 171.60 2jtd s LEU 25 N 6.95 3.37 0.15 2.70 1.98 -1.26 -1.07 118.68 131.51 2jtd s LEU 25 Ca 0.78 -0.31 -0.05 0.00 -2.89 0.00 0.00 54.13 51.65 2jtd s LEU 25 Cb -0.21 -1.88 -0.02 0.00 0.66 0.00 0.00 46.19 44.74 2jtd s LEU 25 CO 0.33 -0.05 0.18 0.00 -1.89 0.00 0.00 176.35 174.92 2jtd s ALA 26 N 1.57 0.43 -0.07 5.97 0.00 -1.14 -4.92 121.76 123.61 2jtd s ALA 26 Ca 0.06 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 2jtd s ALA 26 Cb -0.15 0.90 0.04 0.00 0.00 0.00 0.00 23.12 23.91 2jtd s ALA 26 CO 0.02 -0.58 0.14 0.54 0.00 0.00 0.00 175.76 175.88 2jtd s VAL 27 N -4.01 -0.08 -0.21 0.00 0.11 -1.26 -3.06 120.40 111.88 2jtd s VAL 27 Ca 0.21 0.21 -0.04 0.00 -2.93 0.00 0.00 61.98 59.43 2jtd s VAL 27 Cb 0.05 -0.24 -0.01 0.00 -1.53 0.00 0.00 36.38 34.65 2jtd s VAL 27 CO 0.02 0.09 -0.03 -1.61 -3.33 0.00 0.00 175.10 170.23 2jtd s GLU 28 N 1.33 3.47 -0.24 1.54 0.41 0.14 -5.01 118.70 120.33 2jtd s GLU 28 Ca -0.07 -0.59 -0.12 0.00 -0.41 0.00 0.00 54.97 53.78 2jtd s GLU 28 Cb -0.12 -3.02 -0.05 0.00 -1.78 0.00 0.00 34.13 29.16 2jtd s GLU 28 CO -0.06 -0.10 0.21 0.42 -0.49 0.00 0.00 175.26 175.24 2jtd s ILE 29 N 1.25 5.32 -0.21 -1.63 1.09 -1.26 -0.35 121.20 125.41 2jtd s ILE 29 Ca 0.03 0.28 -0.10 0.00 -1.10 0.00 0.00 60.65 59.76 2jtd s ILE 29 Cb -0.14 -3.55 -0.05 0.00 -1.06 0.00 0.00 42.46 37.66 2jtd s ILE 29 CO -0.01 0.31 0.13 -0.76 -0.10 0.00 0.00 174.94 174.51 2jtd s LEU 30 N 1.26 4.13 0.00 2.97 2.01 -1.10 -3.73 118.68 124.23 2jtd s LEU 30 Ca 0.09 0.17 0.07 0.00 0.01 0.00 0.00 54.13 54.48 2jtd s LEU 30 Cb -0.14 -2.08 0.42 0.00 0.01 0.00 0.00 46.19 44.40 2jtd s LEU 30 CO 0.06 0.14 0.90 -1.84 1.01 0.00 0.00 176.35 176.63 2jtd n GLU 31 N 3.79 0.54 0.19 1.70 -0.00 -1.25 -2.48 120.64 123.14 2jtd n GLU 31 Ca -0.16 0.00 0.14 0.00 -0.00 0.00 0.00 57.16 57.14 2jtd n GLU 31 Cb 0.52 -1.20 0.43 0.00 -0.00 0.00 0.00 31.44 31.18 2jtd n GLU 31 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2jtd h LYS 32 N 0.00 0.00 0.00 3.44 1.79 -1.93 -3.46 116.57 116.41 2jtd h LYS 32 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jtd h LYS 32 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2jtd h LYS 32 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2jtd n GLY 33 N 0.66 1.84 2.90 3.86 0.00 -1.03 -5.11 105.19 108.31 2jtd n GLY 33 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.66 0.08 -0.14 1.61 2.00 -1.21 -4.81 119.66 116.53 2jtd s GLN 34 Ca 0.00 0.41 -0.08 0.00 -2.00 0.00 0.00 55.36 53.69 2jtd s GLN 34 Cb 0.00 -0.20 -0.04 0.00 0.80 0.00 0.00 33.01 33.56 2jtd s GLN 34 CO 0.00 -0.20 0.14 0.54 -0.50 0.00 0.00 175.29 175.28 2jtd s VAL 35 N 1.41 5.48 -0.29 1.34 0.11 -1.22 -2.72 120.40 124.52 2jtd s VAL 35 Ca -0.07 0.22 -0.09 0.00 -2.93 0.00 0.00 61.98 59.11 2jtd s VAL 35 Cb -0.12 -3.42 -0.02 0.00 -1.53 0.00 0.00 36.38 31.29 2jtd s VAL 35 CO -0.06 0.57 0.13 -0.60 -3.33 0.00 0.00 175.10 171.82 2jtd s ARG 36 N -0.66 3.52 -0.05 1.54 6.06 0.53 -3.74 118.95 126.15 2jtd s ARG 36 Ca 0.13 -0.59 0.06 0.00 -2.50 0.00 0.00 55.73 52.83 2jtd s ARG 36 Cb -0.12 -3.51 -0.01 0.00 0.06 0.00 0.00 34.95 31.38 2jtd s ARG 36 CO 0.03 -0.31 -0.22 0.12 -2.50 0.00 0.00 175.30 172.41 2jtd s PHE 37 N 1.64 2.18 0.02 5.12 2.19 -0.85 0.24 117.98 128.52 2jtd s PHE 37 Ca 0.05 -0.63 -0.06 0.00 0.33 0.00 0.00 56.93 56.62 2jtd s PHE 37 Cb -0.16 -1.44 -0.01 0.00 -1.31 0.00 0.00 43.02 40.10 2jtd s PHE 37 CO 0.06 -0.19 0.11 1.67 1.83 0.00 0.00 175.22 178.70 2jtd s TRP 38 N -0.13 0.14 -0.09 10.12 1.48 -1.17 -1.02 118.94 128.26 2jtd s TRP 38 Ca -0.03 -0.36 -0.05 0.00 -1.06 0.00 0.00 56.10 54.60 2jtd s TRP 38 Cb -0.13 -0.10 0.04 0.00 -1.16 0.00 0.00 33.47 32.12 2jtd s TRP 38 CO 0.03 -0.33 0.22 0.00 -4.06 0.00 0.00 176.95 172.81 2jtd s MET 39 N -2.12 0.18 -0.40 3.25 0.23 -1.01 -2.87 119.30 116.56 2jtd s MET 39 Ca -0.09 0.49 -0.08 0.00 -1.03 0.00 0.00 55.69 54.97 2jtd s MET 39 Cb -0.04 -0.14 0.07 0.00 -1.53 0.00 0.00 34.83 33.20 2jtd s MET 39 CO -0.02 -0.16 0.23 -1.14 -2.03 0.00 0.00 175.02 171.90 2jtd s GLN 40 N 1.24 2.58 0.10 3.16 0.74 -0.23 -2.95 119.66 124.30 2jtd s GLN 40 Ca -0.09 -1.43 0.08 0.00 0.05 0.00 0.00 55.36 53.97 2jtd s GLN 40 Cb -0.11 -3.72 -0.04 0.00 1.10 0.00 0.00 33.01 30.25 2jtd s GLN 40 CO -0.08 -0.91 -0.18 0.00 -0.55 0.00 0.00 175.29 173.57 2jtd s ALA 41 N 1.41 2.66 -1.78 1.58 0.00 -1.07 -1.20 121.76 123.36 2jtd s ALA 41 Ca 0.03 -1.31 0.17 0.00 0.00 0.00 0.00 51.96 50.85 2jtd s ALA 41 Cb -0.22 -0.68 0.34 0.00 0.00 0.00 0.00 23.12 22.56 2jtd s ALA 41 CO 0.02 0.59 1.26 -0.85 0.00 0.00 0.00 175.76 176.78 2jtd n GLU 42 N 1.00 2.24 -4.98 0.00 -0.00 -0.90 -4.36 120.64 113.64 2jtd n GLU 42 Ca -0.16 -2.03 -0.32 0.00 -0.00 0.00 0.00 57.16 54.65 2jtd n GLU 42 Cb 0.53 -1.39 -0.15 0.00 -0.00 0.00 0.00 31.44 30.43 2jtd n GLU 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2jtd s LYS 43 N -1.20 2.98 0.00 3.44 1.02 -1.26 -4.97 119.74 119.75 2jtd s LYS 43 Ca 0.30 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.52 2jtd s LYS 43 Cb 0.17 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 2jtd s LYS 43 CO 0.24 0.32 0.00 1.47 -0.92 0.00 0.00 175.35 176.46 2jtd n LEU 44 N 3.17 0.00 -4.12 3.17 -0.00 -1.26 -4.82 117.00 113.14 2jtd n LEU 44 Ca -0.18 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.50 2jtd n LEU 44 Cb 0.52 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.80 2jtd n LEU 44 CO 0.28 0.00 -0.40 -0.44 -0.00 0.00 0.00 177.39 176.83 2jtd s SER 45 N -2.12 4.69 0.00 1.45 0.01 -1.26 -5.01 113.70 111.46 2jtd s SER 45 Ca 0.00 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 55.88 2jtd s SER 45 Cb 0.00 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.59 2jtd s SER 45 CO 0.00 -0.24 0.00 -1.54 0.41 0.00 0.00 173.24 171.87 2jtd n SER 46 N 4.52 0.00 -1.31 2.44 3.41 -1.26 -4.96 113.62 116.46 2jtd n SER 46 Ca -0.13 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.54 2jtd n SER 46 Cb 0.43 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.64 2jtd n SER 46 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jtd n ASN 47 N 0.76 3.82 -4.56 4.04 4.13 -1.26 -4.81 115.26 117.37 2jtd n ASN 47 Ca 0.00 -2.43 -0.36 0.00 1.68 0.00 0.00 54.58 53.47 2jtd n ASN 47 Cb 0.00 -0.54 -0.03 0.00 -1.54 0.00 0.00 39.78 37.67 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 -1.92 2.44 -0.07 5.41 0.00 -1.25 -4.88 121.76 121.48 2jtd s ALA 48 Ca 0.37 -2.15 -0.12 0.00 0.00 0.00 0.00 51.96 50.06 2jtd s ALA 48 Cb 0.26 -4.57 -0.05 0.00 0.00 0.00 0.00 23.12 18.76 2jtd s ALA 48 CO 0.16 -4.04 0.31 -1.59 0.00 0.00 0.00 175.76 170.59 2jtd s LYS 49 N 5.55 3.88 -0.31 0.00 -2.85 -1.23 -4.86 119.74 119.92 2jtd s LYS 49 Ca 0.56 0.19 -0.11 0.00 -1.00 0.00 0.00 55.97 55.60 2jtd s LYS 49 Cb -0.01 -3.27 -0.02 0.00 -2.06 0.00 0.00 37.83 32.46 2jtd s LYS 49 CO -0.03 0.59 0.20 0.54 0.10 0.00 0.00 175.35 176.75 2jtd s VAL 50 N -0.64 5.10 -0.57 1.79 0.11 -1.26 -1.19 120.40 123.75 2jtd s VAL 50 Ca 0.20 -0.15 -0.27 0.00 -2.93 0.00 0.00 61.98 58.82 2jtd s VAL 50 Cb -0.14 -3.56 0.03 0.00 -1.53 0.00 0.00 36.38 31.18 2jtd s VAL 50 CO 0.08 0.09 1.11 -0.44 -3.33 0.00 0.00 175.10 172.62 2jtd s SER 51 N 1.70 6.42 -0.85 3.54 0.01 0.10 -4.94 113.70 119.69 2jtd s SER 51 Ca 0.06 -0.01 -0.24 0.00 1.31 0.00 0.00 55.95 57.07 2jtd s SER 51 Cb -0.17 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.60 2jtd s SER 51 CO 0.09 -1.39 1.29 -0.31 0.41 0.00 0.00 173.24 173.33 2jtd s TYR 52 N 4.63 2.51 -0.19 2.43 2.02 -1.26 -2.75 117.35 124.73 2jtd s TYR 52 Ca 0.39 -0.54 -0.06 0.00 -0.37 0.00 0.00 57.07 56.50 2jtd s TYR 52 Cb -0.09 -4.58 -0.03 0.00 -0.40 0.00 0.00 41.96 36.86 2jtd s TYR 52 CO 0.24 -1.91 0.01 0.42 -1.57 0.00 0.00 175.55 172.74 2jtd s ILE 53 N 4.94 4.15 -0.23 2.71 -1.09 -0.22 -2.37 121.20 129.09 2jtd s ILE 53 Ca 0.37 -0.25 -0.00 0.00 -2.23 0.00 0.00 60.65 58.54 2jtd s ILE 53 Cb -0.06 -2.88 0.06 0.00 -1.58 0.00 0.00 42.46 38.01 2jtd s ILE 53 CO 0.03 0.43 -0.02 0.12 -1.23 0.00 0.00 174.94 174.27 2jtd s PHE 54 N 0.84 2.08 -1.64 3.97 5.36 0.92 0.02 117.98 129.52 2jtd s PHE 54 Ca 0.01 -1.59 -0.01 0.00 -0.96 0.00 0.00 56.93 54.38 2jtd s PHE 54 Cb -0.14 -1.51 0.00 0.00 -0.34 0.00 0.00 43.02 41.03 2jtd s PHE 54 CO 0.02 -0.75 0.17 -1.71 -1.46 0.00 0.00 175.22 171.49 2jtd n ASN 55 N 4.76 -5.78 -0.52 6.13 2.85 0.25 -0.82 115.26 122.12 2jtd n ASN 55 Ca -0.10 -0.09 -0.07 0.00 -0.11 0.00 0.00 54.58 54.21 2jtd n ASN 55 Cb 0.44 -4.74 -0.03 0.00 1.24 0.00 0.00 39.78 36.69 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 -3.20 -0.85 -3.82 1.20 1.02 -1.26 -5.01 120.64 108.71 2jtd n GLU 56 Ca -0.20 0.65 -0.22 0.00 -0.02 0.00 0.00 57.16 57.38 2jtd n GLU 56 Cb 0.66 -4.54 -0.04 0.00 -0.02 0.00 0.00 31.44 27.50 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 -2.22 2.60 0.19 3.49 -0.14 -0.00 -5.08 119.74 118.59 2jtd s LYS 57 Ca 0.00 -1.41 -0.16 0.00 -1.36 0.00 0.00 55.97 53.04 2jtd s LYS 57 Cb 0.00 -2.38 -0.08 0.00 -1.68 0.00 0.00 37.83 33.69 2jtd s LYS 57 CO 0.00 0.03 0.63 -1.21 -0.76 0.00 0.00 175.35 174.04 2jtd s GLU 58 N -3.99 4.08 0.10 1.68 8.01 -1.26 -0.06 118.70 127.25 2jtd s GLU 58 Ca 0.42 0.64 0.05 0.00 0.01 0.00 0.00 54.97 56.09 2jtd s GLU 58 Cb -0.04 -2.86 -0.04 0.00 -4.31 0.00 0.00 34.13 26.88 2jtd s GLU 58 CO 0.26 0.41 0.01 0.42 0.01 0.00 0.00 175.26 176.38 2jtd s ILE 59 N -1.55 4.08 0.28 -1.63 1.01 -1.00 -4.82 121.20 117.57 2jtd s ILE 59 Ca 0.42 -0.99 0.11 0.00 0.00 0.00 0.00 60.65 60.19 2jtd s ILE 59 Cb -0.15 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 2jtd s ILE 59 CO 0.20 0.10 -0.19 -0.36 0.00 0.00 0.00 174.94 174.69 2jtd s PHE 60 N -1.36 2.25 0.29 3.97 0.08 -1.26 -4.97 117.98 116.97 2jtd s PHE 60 Ca 0.26 -0.37 -0.23 0.00 0.12 0.00 0.00 56.93 56.72 2jtd s PHE 60 Cb -0.12 -1.00 -0.09 0.00 -0.57 0.00 0.00 43.02 41.24 2jtd s PHE 60 CO 0.19 0.68 0.85 -2.00 -0.10 0.00 0.00 175.22 174.83 2jtd s GLU 61 N -3.53 4.41 0.00 0.44 -6.30 -1.26 -4.75 118.70 107.71 2jtd s GLU 61 Ca 0.30 1.11 0.00 0.00 -2.50 0.00 0.00 54.97 53.88 2jtd s GLU 61 Cb -0.04 -2.79 0.00 0.00 0.00 0.00 0.00 34.13 31.30 2jtd s GLU 61 CO 0.14 0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.14 2jtd n GLY 62 N 0.54 2.09 0.16 -1.50 0.00 0.55 -4.97 105.19 102.06 2jtd n GLY 62 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 2jtd n GLY 62 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jtd h PRO 63 N 0.00 0.46 0.12 1.61 0.11 -1.98 -3.35 132.00 128.97 2jtd h PRO 63 Ca 0.00 -0.27 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 2jtd h PRO 63 Cb 0.00 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.13 2jtd h PRO 63 CO 0.00 0.86 -0.06 -0.22 -0.21 0.00 0.00 178.00 178.37 2jtd h LYS 64 N 0.09 -0.16 -5.23 1.05 3.11 -1.95 -3.44 116.57 110.05 2jtd h LYS 64 Ca 0.02 0.01 -0.61 0.00 -2.81 0.00 0.00 60.65 57.26 2jtd h LYS 64 Cb 0.81 0.04 -0.13 0.00 -1.00 0.00 0.00 32.23 31.95 2jtd h LYS 64 CO 0.06 0.33 -0.45 0.71 -2.81 0.00 0.00 179.45 177.29 2jtd s TYR 65 N -3.42 3.37 -0.21 1.91 2.02 -1.26 -2.24 117.35 117.52 2jtd s TYR 65 Ca -0.14 0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.93 2jtd s TYR 65 Cb 0.00 -2.27 0.04 0.00 -0.40 0.00 0.00 41.96 39.34 2jtd s TYR 65 CO 0.52 0.15 -0.14 0.15 -1.57 0.00 0.00 175.55 174.67 2jtd s LYS 66 N 0.78 2.41 -0.22 -0.62 -0.14 -0.57 -0.33 119.74 121.04 2jtd s LYS 66 Ca 0.10 -0.98 -0.00 0.00 -1.36 0.00 0.00 55.97 53.73 2jtd s LYS 66 Cb -0.13 -2.59 0.06 0.00 -1.68 0.00 0.00 37.83 33.49 2jtd s LYS 66 CO 0.03 -0.39 -0.03 -1.64 -0.76 0.00 0.00 175.35 172.55 2jtd s MET 67 N 1.28 1.40 -0.31 1.68 -1.94 -1.26 -0.63 119.30 119.51 2jtd s MET 67 Ca -0.01 -0.84 -0.09 0.00 -1.71 0.00 0.00 55.69 53.04 2jtd s MET 67 Cb -0.16 -2.46 0.01 0.00 2.01 0.00 0.00 34.83 34.23 2jtd s MET 67 CO -0.09 -0.60 0.13 -1.01 -0.01 0.00 0.00 175.02 173.44 2jtd s HIS 68 N 1.51 3.18 0.11 -0.03 3.76 -1.12 -5.00 115.29 117.70 2jtd s HIS 68 Ca -0.04 -0.81 -0.18 0.00 -0.15 0.00 0.00 55.06 53.87 2jtd s HIS 68 Cb -0.18 -2.32 -0.07 0.00 1.11 0.00 0.00 32.58 31.12 2jtd s HIS 68 CO -0.07 -0.54 0.58 0.96 -0.85 0.00 0.00 174.74 174.83 2jtd s ILE 69 N 1.55 4.75 -0.09 0.60 -4.36 -1.26 -3.59 121.20 118.80 2jtd s ILE 69 Ca 0.03 1.12 0.02 0.00 -0.26 0.00 0.00 60.65 61.57 2jtd s ILE 69 Cb -0.17 -3.85 -0.02 0.00 1.25 0.00 0.00 42.46 39.67 2jtd s ILE 69 CO 0.05 0.44 -0.17 -0.62 0.24 0.00 0.00 174.94 174.88 2jtd s ASP 70 N -1.32 3.74 0.00 4.36 2.15 -1.25 -4.99 116.67 119.36 2jtd s ASP 70 Ca 0.33 -0.35 0.11 0.00 0.43 0.00 0.00 52.55 53.06 2jtd s ASP 70 Cb -0.18 -1.27 0.18 0.00 -0.30 0.00 0.00 42.92 41.35 2jtd s ASP 70 CO 0.19 0.22 1.02 0.54 -0.17 0.00 0.00 175.17 176.98 2jtd n ARG 71 N 3.13 1.49 -0.09 4.34 3.00 -1.26 -3.84 116.66 123.43 2jtd n ARG 71 Ca -0.18 -1.53 -0.21 0.00 -0.01 0.00 0.00 57.85 55.92 2jtd n ARG 71 Cb 0.52 -1.24 -0.12 0.00 0.00 0.00 0.00 32.46 31.62 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 2.21 0.03 0.00 0.55 2.35 -1.97 -3.44 115.58 115.29 2jtd h ASN 72 Ca 0.00 -0.58 -0.07 0.00 -0.55 0.00 0.00 56.30 55.10 2jtd h ASN 72 Cb 0.58 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 2jtd h ASN 72 CO 0.00 1.46 -1.26 0.35 -1.65 0.00 0.00 177.43 176.33 2jtd n THR 73 N -4.40 0.26 0.00 2.81 -2.24 -1.26 -5.04 114.28 104.40 2jtd n THR 73 Ca -0.30 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2jtd n THR 73 Cb 0.68 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 3.15 1.64 3.46 3.38 0.00 -1.25 -4.64 105.19 110.93 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 5.04 -0.26 -0.61 -1.09 -1.26 -2.59 121.20 118.43 2jtd s ILE 75 Ca 0.00 -0.44 -0.01 0.00 -2.23 0.00 0.00 60.65 57.97 2jtd s ILE 75 Cb 0.00 -4.12 0.04 0.00 -1.58 0.00 0.00 42.46 36.79 2jtd s ILE 75 CO 0.00 -0.55 -0.06 -0.63 -1.23 0.00 0.00 174.94 172.47 2jtd s ILE 76 N 2.24 2.71 0.02 2.92 1.01 -1.15 -3.86 121.20 125.08 2jtd s ILE 76 Ca 0.12 -1.25 0.03 0.00 0.00 0.00 0.00 60.65 59.55 2jtd s ILE 76 Cb -0.18 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 2jtd s ILE 76 CO 0.13 0.08 -0.04 -1.61 0.00 0.00 0.00 174.94 173.50 2jtd s GLU 77 N 1.25 2.57 -0.03 2.79 0.41 -1.24 -2.39 118.70 122.07 2jtd s GLU 77 Ca -0.03 -0.74 0.05 0.00 -0.41 0.00 0.00 54.97 53.84 2jtd s GLU 77 Cb -0.18 -2.53 -0.01 0.00 -1.78 0.00 0.00 34.13 29.63 2jtd s GLU 77 CO -0.04 0.59 -0.19 1.41 -0.49 0.00 0.00 175.26 176.54 2jtd s MET 78 N -1.65 1.72 -0.14 1.61 -2.45 -0.19 -2.80 119.30 115.40 2jtd s MET 78 Ca 0.19 -0.69 0.00 0.00 -1.25 0.00 0.00 55.69 53.95 2jtd s MET 78 Cb -0.11 -1.59 0.02 0.00 1.25 0.00 0.00 34.83 34.40 2jtd s MET 78 CO 0.10 0.36 -0.13 0.12 1.05 0.00 0.00 175.02 176.53 2jtd s PHE 79 N -0.28 2.00 -0.02 4.11 5.36 0.20 -2.00 117.98 127.34 2jtd s PHE 79 Ca 0.03 -1.09 0.07 0.00 -0.96 0.00 0.00 56.93 54.98 2jtd s PHE 79 Cb -0.09 -1.50 -0.02 0.00 -0.34 0.00 0.00 43.02 41.07 2jtd s PHE 79 CO 0.01 -0.62 -0.23 -1.64 -1.46 0.00 0.00 175.22 171.27 2jtd s MET 80 N 1.51 1.90 -0.05 10.12 -1.94 -1.25 -1.51 119.30 128.09 2jtd s MET 80 Ca 0.04 -0.81 -0.02 0.00 -1.71 0.00 0.00 55.69 53.19 2jtd s MET 80 Cb -0.13 -1.81 0.04 0.00 2.01 0.00 0.00 34.83 34.94 2jtd s MET 80 CO -0.10 0.47 0.10 -1.83 -0.01 0.00 0.00 175.02 173.66 2jtd s GLU 81 N -0.48 0.02 0.35 2.03 -1.05 -0.95 -3.37 118.70 115.25 2jtd s GLU 81 Ca 0.07 0.34 -0.08 0.00 -0.15 0.00 0.00 54.97 55.15 2jtd s GLU 81 Cb -0.09 -0.25 -0.06 0.00 -0.44 0.00 0.00 34.13 33.29 2jtd s GLU 81 CO -0.00 -0.20 0.67 -1.59 0.95 0.00 0.00 175.26 175.08 2jtd s LYS 82 N 1.40 3.71 -0.06 -4.83 -2.85 -1.26 -4.44 119.74 111.41 2jtd s LYS 82 Ca -0.06 0.25 0.00 0.00 -1.00 0.00 0.00 55.97 55.16 2jtd s LYS 82 Cb -0.12 -2.51 -0.04 0.00 -2.06 0.00 0.00 37.83 33.10 2jtd s LYS 82 CO -0.05 0.08 -0.05 -0.11 0.10 0.00 0.00 175.35 175.32 2jtd n LEU 83 N -1.14 2.71 -5.03 2.77 7.94 -1.26 -5.08 117.00 117.91 2jtd n LEU 83 Ca 0.00 -0.02 -0.20 0.00 -1.11 0.00 0.00 56.01 54.69 2jtd n LEU 83 Cb 0.54 -0.19 0.06 0.00 0.53 0.00 0.00 43.42 44.36 2jtd n LEU 83 CO 0.48 0.54 0.35 -1.10 -1.11 0.00 0.00 177.39 176.55 2jtd s GLN 84 N -2.11 2.26 -0.07 1.96 -1.52 -1.26 -5.02 119.66 113.90 2jtd s GLN 84 Ca -0.08 -1.69 -0.24 0.00 -1.95 0.00 0.00 55.36 51.40 2jtd s GLN 84 Cb 0.02 -2.62 -0.28 0.00 -0.22 0.00 0.00 33.01 29.92 2jtd s GLN 84 CO 0.13 -0.90 0.90 -0.44 -0.25 0.00 0.00 175.29 174.73 2jtd h ASP 85 N 0.17 0.29 0.00 5.90 5.19 -1.98 -3.27 116.42 122.71 2jtd h ASP 85 Ca -0.29 -0.92 0.00 0.00 -0.62 0.00 0.00 57.03 55.20 2jtd h ASP 85 Cb 1.29 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2jtd h ASP 85 CO 0.41 1.18 0.00 -1.84 -3.12 0.00 0.00 179.24 175.87 2jtd n GLU 86 N -4.35 0.80 -0.06 3.56 0.28 -1.26 -3.93 120.64 115.68 2jtd n GLU 86 Ca -0.12 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.75 2jtd n GLU 86 Cb 0.65 -1.21 -0.07 0.00 1.43 0.00 0.00 31.44 32.24 2jtd n GLU 86 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2jtd h ASP 87 N 0.00 0.47 -3.38 -1.84 1.82 -1.96 -3.44 116.42 108.10 2jtd h ASP 87 Ca 0.00 -0.50 -0.55 0.00 -0.39 0.00 0.00 57.03 55.59 2jtd h ASP 87 Cb 0.00 -0.13 -0.04 0.00 0.68 0.00 0.00 39.33 39.84 2jtd h ASP 87 CO 0.00 0.88 0.04 -0.70 -1.61 0.00 0.00 179.24 177.85 2jtd s GLU 88 N -4.22 4.27 0.00 0.28 2.56 -1.25 -5.00 118.70 115.34 2jtd s GLU 88 Ca -0.14 0.83 0.00 0.00 0.00 0.00 0.00 54.97 55.66 2jtd s GLU 88 Cb 0.06 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 33.05 2jtd s GLU 88 CO 0.77 0.56 0.00 0.41 -0.56 0.00 0.00 175.26 176.44 2jtd n GLY 89 N 1.38 3.90 3.60 -1.50 0.00 -0.48 -4.65 105.19 107.45 2jtd n GLY 89 Ca -0.07 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.08 4.65 -0.10 2.61 2.01 -1.26 -1.07 115.64 121.40 2jtd s THR 90 Ca 0.00 1.11 -0.04 0.00 0.31 0.00 0.00 61.69 63.07 2jtd s THR 90 Cb 0.00 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2jtd s THR 90 CO 0.00 -0.47 0.07 -0.31 -0.69 0.00 0.00 174.62 173.22 2jtd s TYR 91 N 3.31 3.38 -0.08 4.92 2.02 0.10 -0.58 117.35 130.43 2jtd s TYR 91 Ca 0.36 0.36 -0.03 0.00 -0.37 0.00 0.00 57.07 57.39 2jtd s TYR 91 Cb -0.13 -1.87 0.04 0.00 -0.40 0.00 0.00 41.96 39.61 2jtd s TYR 91 CO 0.17 0.61 0.15 0.99 -1.57 0.00 0.00 175.55 175.90 2jtd s THR 92 N -0.96 -0.22 -0.18 -0.71 2.01 0.10 -0.35 115.64 115.33 2jtd s THR 92 Ca 0.14 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.47 2jtd s THR 92 Cb -0.12 -0.28 0.00 0.00 0.01 0.00 0.00 72.50 72.12 2jtd s THR 92 CO 0.03 0.14 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.61 2jtd s PHE 93 N 2.13 2.83 -0.10 4.92 0.40 -0.48 -1.05 117.98 126.63 2jtd s PHE 93 Ca 0.01 -1.18 -0.01 0.00 -0.60 0.00 0.00 56.93 55.16 2jtd s PHE 93 Cb -0.12 -1.96 0.03 0.00 0.51 0.00 0.00 43.02 41.48 2jtd s PHE 93 CO -0.06 -0.59 -0.05 -1.14 0.70 0.00 0.00 175.22 174.09 2jtd s GLN 94 N 1.13 1.24 -0.22 0.44 0.74 -1.11 -0.66 119.66 121.22 2jtd s GLN 94 Ca 0.01 -0.15 -0.08 0.00 0.05 0.00 0.00 55.36 55.19 2jtd s GLN 94 Cb -0.14 -1.41 -0.04 0.00 1.10 0.00 0.00 33.01 32.52 2jtd s GLN 94 CO -0.05 -0.28 0.09 0.42 -0.55 0.00 0.00 175.29 174.91 2jtd s ILE 95 N 1.79 4.71 -0.50 -2.34 1.09 0.11 0.01 121.20 126.07 2jtd s ILE 95 Ca 0.05 -0.05 -0.21 0.00 -1.10 0.00 0.00 60.65 59.34 2jtd s ILE 95 Cb -0.13 -3.17 0.04 0.00 -1.06 0.00 0.00 42.46 38.15 2jtd s ILE 95 CO -0.07 0.39 0.74 -1.58 -0.10 0.00 0.00 174.94 174.31 2jtd s GLN 96 N 1.01 3.24 0.22 2.79 0.74 -0.33 -2.93 119.66 124.40 2jtd s GLN 96 Ca 0.05 -0.52 0.08 0.00 0.05 0.00 0.00 55.36 55.01 2jtd s GLN 96 Cb -0.14 -4.04 -0.04 0.00 1.10 0.00 0.00 33.01 29.89 2jtd s GLN 96 CO 0.03 -1.25 0.08 0.34 -0.55 0.00 0.00 175.29 173.94 2jtd s ASP 97 N 2.55 5.04 0.55 6.67 2.15 -1.09 -3.50 116.67 129.03 2jtd s ASP 97 Ca 0.23 -0.39 0.25 0.00 0.43 0.00 0.00 52.55 53.07 2jtd s ASP 97 Cb -0.15 -1.14 1.57 0.00 -0.30 0.00 0.00 42.92 42.89 2jtd s ASP 97 CO 0.17 0.02 2.18 1.23 -0.17 0.00 0.00 175.17 178.59 2jtd h GLY 98 N 2.06 0.00 0.00 2.66 0.00 -1.96 -3.35 103.07 102.48 2jtd h GLY 98 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2jtd h GLY 98 CO 0.60 0.00 -0.42 0.28 0.00 0.00 0.00 176.54 177.00 2jtd n LYS 99 N -4.00 0.18 -2.83 4.80 5.02 -1.26 -5.10 118.16 114.97 2jtd n LYS 99 Ca -0.03 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.03 2jtd n LYS 99 Cb 0.13 -0.71 0.02 0.00 -0.02 0.00 0.00 35.03 34.44 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 -1.42 3.67 -0.16 7.82 0.00 -1.26 -5.10 121.76 125.31 2jtd s ALA 100 Ca 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 2jtd s ALA 100 Cb 0.00 -2.23 0.08 0.00 0.00 0.00 0.00 23.12 20.97 2jtd s ALA 100 CO 0.00 -0.50 0.22 0.99 0.00 0.00 0.00 175.76 176.47 2jtd s THR 101 N -2.67 -0.33 -0.22 0.00 2.01 -1.26 -2.68 115.64 110.49 2jtd s THR 101 Ca 0.50 0.08 -0.07 0.00 0.31 0.00 0.00 61.69 62.52 2jtd s THR 101 Cb -0.10 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 2jtd s THR 101 CO 0.39 -0.05 0.05 -0.83 -0.69 0.00 0.00 174.62 173.49 2jtd s GLY 102 N 2.34 1.77 -0.02 4.40 0.00 -1.15 -4.98 107.32 109.69 2jtd s GLY 102 Ca 0.05 -1.02 -0.00 0.00 0.00 0.00 0.00 44.72 43.74 2jtd s GLY 102 CO -0.10 0.36 0.03 -2.38 0.00 0.00 0.00 173.10 171.01 2jtd s HIS 103 N 1.21 0.00 -0.07 1.90 -3.43 -1.26 0.10 115.29 113.74 2jtd s HIS 103 Ca 0.04 0.12 -0.00 0.00 -0.80 0.00 0.00 55.06 54.42 2jtd s HIS 103 Cb -0.14 -0.14 0.03 0.00 -1.43 0.00 0.00 32.58 30.89 2jtd s HIS 103 CO 0.03 -0.07 -0.02 0.45 -2.00 0.00 0.00 174.74 173.13 2jtd s SER 104 N 0.71 1.46 -0.28 7.38 0.15 0.17 -5.00 113.70 118.29 2jtd s SER 104 Ca -0.06 -0.13 -0.10 0.00 0.70 0.00 0.00 55.95 56.36 2jtd s SER 104 Cb -0.08 -0.50 -0.03 0.00 -1.71 0.00 0.00 66.02 63.69 2jtd s SER 104 CO -0.02 -0.14 0.15 -0.89 1.20 0.00 0.00 173.24 173.54 2jtd s THR 105 N 1.58 4.90 -0.30 6.45 2.01 -1.26 -1.38 115.64 127.64 2jtd s THR 105 Ca -0.00 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 2jtd s THR 105 Cb -0.13 -3.36 0.10 0.00 0.01 0.00 0.00 72.50 69.12 2jtd s THR 105 CO -0.04 0.23 0.10 -0.22 -0.69 0.00 0.00 174.62 174.01 2jtd s LEU 106 N 1.69 1.84 -0.47 4.42 2.96 0.52 -5.02 118.68 124.62 2jtd s LEU 106 Ca 0.06 -1.54 -0.18 0.00 -0.22 0.00 0.00 54.13 52.25 2jtd s LEU 106 Cb -0.16 -0.74 0.05 0.00 0.50 0.00 0.00 46.19 45.83 2jtd s LEU 106 CO 0.08 -0.42 0.55 0.54 -1.32 0.00 0.00 176.35 175.78 2jtd s VAL 107 N 1.73 4.97 -0.38 1.68 0.11 -1.26 0.03 120.40 127.27 2jtd s VAL 107 Ca 0.09 -0.45 -0.04 0.00 -2.93 0.00 0.00 61.98 58.65 2jtd s VAL 107 Cb -0.17 -4.20 0.08 0.00 -1.53 0.00 0.00 36.38 30.57 2jtd s VAL 107 CO -0.28 -0.65 0.17 -0.76 -3.33 0.00 0.00 175.10 170.25 2jtd s LEU 108 N 2.41 4.86 -0.05 2.54 1.43 -0.23 -4.54 118.68 125.09 2jtd s LEU 108 Ca 0.14 -1.67 -0.02 0.00 -1.03 0.00 0.00 54.13 51.54 2jtd s LEU 108 Cb -0.19 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.23 2jtd s LEU 108 CO 0.13 -0.47 0.10 -0.63 0.23 0.00 0.00 176.35 175.71 2jtd s ILE 109 N 1.25 -0.12 0.00 -0.59 1.01 -1.26 -1.38 121.20 120.11 2jtd s ILE 109 Ca 0.03 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.97 2jtd s ILE 109 Cb -0.22 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 42.06 2jtd s ILE 109 CO -0.02 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.65 2jtd n GLY 110 N 4.72 1.40 0.24 6.18 0.00 -1.26 -0.59 105.19 115.87 2jtd n GLY 110 Ca -0.16 0.61 -0.09 0.00 0.00 0.00 0.00 46.02 46.37 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 0.71 -0.06 1.61 3.58 -1.98 -2.19 116.42 118.08 2jtd h ASP 111 Ca 0.00 -0.32 -0.08 0.00 0.42 0.00 0.00 57.03 57.05 2jtd h ASP 111 Cb 0.00 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 2jtd h ASP 111 CO 0.00 1.03 -0.18 0.58 -2.88 0.00 0.00 179.24 177.79 2jtd h VAL 112 N 0.54 1.24 -0.03 2.25 2.07 -1.19 -0.00 116.25 121.13 2jtd h VAL 112 Ca 0.04 -1.10 -0.16 0.00 0.82 0.00 0.00 66.70 66.31 2jtd h VAL 112 Cb 0.94 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2jtd h VAL 112 CO 0.09 0.35 -0.68 0.22 0.02 0.00 0.00 177.57 177.56 2jtd h TYR 113 N 0.40 0.21 0.00 1.57 3.20 -1.39 -2.91 116.97 118.05 2jtd h TYR 113 Ca 0.07 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 2jtd h TYR 113 Cb 0.55 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2jtd h TYR 113 CO 0.02 0.79 -0.40 1.57 -1.64 0.00 0.00 178.16 178.49 2jtd h LYS 114 N 0.11 0.00 0.27 1.82 5.09 -0.76 -3.28 116.57 119.81 2jtd h LYS 114 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.72 2jtd h LYS 114 Cb 1.22 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.55 2jtd h LYS 114 CO 0.10 0.40 -0.15 -0.22 -2.09 0.00 0.00 179.45 177.49 2jtd h LYS 115 N 0.00 -0.38 -0.13 0.07 3.64 -0.81 -2.73 116.57 116.22 2jtd h LYS 115 Ca -0.00 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2jtd h LYS 115 Cb 1.12 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2jtd h LYS 115 CO 0.05 -0.25 0.07 -0.07 -2.27 0.00 0.00 179.45 176.98 2jtd h LEU 116 N -0.40 0.16 0.12 5.20 -0.00 -1.61 -2.83 115.31 115.95 2jtd h LEU 116 Ca -0.03 -0.01 0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2jtd h LEU 116 Cb 0.32 -0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 40.90 2jtd h LEU 116 CO 0.04 0.13 -0.33 1.56 -0.00 0.00 0.00 178.44 179.84 2jtd h GLN 117 N 0.18 -0.54 0.00 1.13 1.08 -1.55 -1.20 115.11 114.22 2jtd h GLN 117 Ca 0.05 0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.24 2jtd h GLN 117 Cb 0.00 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2jtd h GLN 117 CO -0.01 -0.36 -1.00 0.87 -0.95 0.00 0.00 178.83 177.38 2jtd h LYS 118 N -0.56 0.00 0.00 1.46 1.79 -1.60 -2.02 116.57 115.64 2jtd h LYS 118 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2jtd h LYS 118 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2jtd h LYS 118 CO -0.19 0.09 -0.29 0.39 -1.08 0.00 0.00 179.45 178.37 2jtd n GLU 119 N -2.78 0.05 -0.08 3.15 1.02 -1.08 -3.78 120.64 117.13 2jtd n GLU 119 Ca -0.02 0.02 -0.07 0.00 -0.02 0.00 0.00 57.16 57.08 2jtd n GLU 119 Cb 0.62 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.48 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 -1.55 0.67 -3.21 0.62 0.00 -0.46 -4.91 120.51 111.66 2jtd n ALA 120 Ca 0.06 -0.62 -0.36 0.00 0.00 0.00 0.00 53.44 52.52 2jtd n ALA 120 Cb 0.35 0.02 -0.13 0.00 0.00 0.00 0.00 19.45 19.70 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 -2.58 3.55 0.00 0.00 0.41 -0.76 -5.00 118.70 114.33 2jtd s GLU 121 Ca -0.22 -0.54 0.28 0.00 -0.41 0.00 0.00 54.97 54.09 2jtd s GLU 121 Cb 0.03 -3.15 1.13 0.00 -1.78 0.00 0.00 34.13 30.36 2jtd s GLU 121 CO 0.33 -0.14 1.79 1.19 -0.49 0.00 0.00 175.26 177.94