#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jtu s MET 2 N 0.00 0.33 -0.11 -0.52 0.23 -0.59 -1.55 119.30 117.10 3jtu s MET 2 Ca 0.00 -0.06 0.03 0.00 -1.03 0.00 0.00 55.69 54.64 3jtu s MET 2 Cb 0.00 -0.39 0.00 0.00 -1.53 0.00 0.00 34.83 32.91 3jtu s MET 2 CO 0.00 -0.01 -0.22 0.12 -2.03 0.00 0.00 175.02 172.89 3jtu s PHE 3 N 0.37 2.41 -0.08 3.16 5.36 -0.29 -1.49 117.98 127.44 3jtu s PHE 3 Ca -0.04 -1.05 0.04 0.00 -0.96 0.00 0.00 56.93 54.93 3jtu s PHE 3 Cb -0.07 -1.64 -0.01 0.00 -0.34 0.00 0.00 43.02 40.96 3jtu s PHE 3 CO -0.01 -0.45 -0.22 0.42 -1.46 0.00 0.00 175.22 173.50 3jtu s ILE 4 N 0.53 2.32 -0.13 3.12 -1.09 -0.48 -1.14 121.20 124.33 3jtu s ILE 4 Ca -0.15 -0.96 0.01 0.00 -2.23 0.00 0.00 60.65 57.32 3jtu s ILE 4 Cb -0.17 -1.88 0.02 0.00 -1.58 0.00 0.00 42.46 38.85 3jtu s ILE 4 CO 0.05 0.56 -0.14 0.54 -1.23 0.00 0.00 174.94 174.73 3jtu s VAL 5 N -0.02 1.48 -0.16 2.92 0.11 0.19 -1.39 120.40 123.54 3jtu s VAL 5 Ca -0.07 -0.60 -0.05 0.00 -2.93 0.00 0.00 61.98 58.33 3jtu s VAL 5 Cb -0.15 -1.39 -0.03 0.00 -1.53 0.00 0.00 36.38 33.29 3jtu s VAL 5 CO 0.05 0.44 -0.00 0.20 -3.33 0.00 0.00 175.10 172.46 3jtu s ASN 6 N 1.29 5.08 0.00 3.54 0.01 -0.36 -0.07 114.94 124.44 3jtu s ASN 6 Ca -0.00 -0.04 -0.15 0.00 -0.71 0.00 0.00 52.86 51.96 3jtu s ASN 6 Cb -0.14 -1.81 0.02 0.00 0.41 0.00 0.00 41.25 39.74 3jtu s ASN 6 CO -0.06 0.19 0.32 0.28 -1.51 0.00 0.00 177.10 176.31 3jtu s THR 7 N 0.24 0.06 -2.21 1.60 -1.32 -0.24 -0.80 115.64 112.98 3jtu s THR 7 Ca -0.01 -0.53 0.30 0.00 -1.21 0.00 0.00 61.69 60.25 3jtu s THR 7 Cb -0.13 -0.73 0.75 0.00 -1.51 0.00 0.00 72.50 70.88 3jtu s THR 7 CO 0.02 -0.29 2.02 -0.46 -2.21 0.00 0.00 174.62 173.70 3jtu n ASN 8 N 1.04 0.64 -4.74 8.08 6.94 -1.23 -1.19 115.26 124.79 3jtu n ASN 8 Ca -0.21 -1.20 -0.41 0.00 -0.02 0.00 0.00 54.58 52.74 3jtu n ASN 8 Cb 0.57 -0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.97 3jtu n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3jtu s VAL 9 N -2.01 2.71 0.54 3.53 1.01 -1.26 -4.23 120.40 120.69 3jtu s VAL 9 Ca 0.44 0.59 -0.21 0.00 0.00 0.00 0.00 61.98 62.80 3jtu s VAL 9 Cb 0.22 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 3jtu s VAL 9 CO 0.36 0.09 1.27 -2.84 0.00 0.00 0.00 175.10 173.98 3jtu s PRO 10 N -0.29 3.24 0.33 2.72 0.02 -1.26 -0.97 135.00 138.79 3jtu s PRO 10 Ca 0.59 2.01 0.06 0.00 0.02 0.00 0.00 61.00 63.69 3jtu s PRO 10 Cb -0.41 -2.20 0.72 0.00 0.02 0.00 0.00 34.50 32.63 3jtu s PRO 10 CO 0.42 -1.04 1.85 -0.09 -0.33 0.00 0.00 177.00 177.81 3jtu h ARG 11 N 1.44 0.78 0.00 5.54 2.43 -1.93 -0.49 114.38 122.15 3jtu h ARG 11 Ca -0.50 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.61 3jtu h ARG 11 Cb 1.29 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3jtu h ARG 11 CO 0.57 0.51 -0.04 0.00 -1.51 0.00 0.00 179.97 179.50 3jtu h ALA 12 N 1.58 1.23 -0.00 2.80 0.00 -2.03 -1.58 119.26 121.26 3jtu h ALA 12 Ca 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3jtu h ALA 12 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3jtu h ALA 12 CO -0.24 0.05 -0.23 0.43 0.00 0.00 0.00 179.25 179.26 3jtu n SER 13 N -3.47 0.51 -4.64 0.00 7.64 -0.19 -4.75 113.62 108.72 3jtu n SER 13 Ca -0.02 -0.37 -0.43 0.00 1.01 0.00 0.00 58.87 59.06 3jtu n SER 13 Cb 0.16 -0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 3jtu n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3jtu s VAL 14 N -2.72 4.40 0.47 0.44 1.01 -0.60 -4.79 120.40 118.61 3jtu s VAL 14 Ca 0.20 1.61 -0.21 0.00 0.00 0.00 0.00 61.98 63.58 3jtu s VAL 14 Cb 0.19 -4.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 3jtu s VAL 14 CO 0.56 -0.44 1.05 -2.16 0.00 0.00 0.00 175.10 174.11 3jtu s PRO 15 N 3.76 3.86 0.14 2.72 0.04 -1.26 -4.97 135.00 139.29 3jtu s PRO 15 Ca 0.49 1.43 -0.34 0.00 0.04 0.00 0.00 61.00 62.61 3jtu s PRO 15 Cb -0.14 -2.21 -0.15 0.00 0.04 0.00 0.00 34.50 32.04 3jtu s PRO 15 CO 0.17 -0.39 1.44 -0.25 0.04 0.00 0.00 177.00 178.01 3jtu n ASP 16 N -0.76 2.41 0.00 6.66 10.43 -1.26 -2.33 116.55 131.70 3jtu n ASP 16 Ca 0.08 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.55 3jtu n ASP 16 Cb 0.52 -1.33 0.00 0.00 1.84 0.00 0.00 41.12 42.15 3jtu n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3jtu n GLY 17 N 2.85 0.36 0.05 0.44 0.00 -1.26 -4.99 105.19 102.64 3jtu n GLY 17 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3jtu n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3jtu h PHE 18 N 0.00 -0.02 -0.51 1.61 3.57 -1.85 0.60 116.94 120.34 3jtu h PHE 18 Ca 0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3jtu h PHE 18 Cb 0.00 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3jtu h PHE 18 CO 0.00 0.14 0.20 -0.07 -2.23 0.00 0.00 178.31 176.34 3jtu h LEU 19 N -0.18 0.68 -0.43 0.59 3.38 -1.94 -1.23 115.31 116.18 3jtu h LEU 19 Ca -0.00 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.70 3jtu h LEU 19 Cb 0.17 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3jtu h LEU 19 CO 0.00 0.62 -0.68 0.28 0.09 0.00 0.00 178.44 178.75 3jtu h SER 20 N 0.74 0.54 -0.35 -0.43 0.02 -1.89 -0.90 113.55 111.27 3jtu h SER 20 Ca 0.18 -0.33 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 3jtu h SER 20 Cb 0.16 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3jtu h SER 20 CO -0.02 1.07 -0.06 -0.08 -1.14 0.00 0.00 176.83 176.60 3jtu h GLU 21 N 0.33 0.66 -0.44 3.45 4.81 -0.57 -1.46 114.58 121.36 3jtu h GLU 21 Ca -0.02 -0.24 0.03 0.00 -0.13 0.00 0.00 59.36 58.99 3jtu h GLU 21 Cb 1.25 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 3jtu h GLU 21 CO 0.12 0.82 0.24 -0.07 -0.73 0.00 0.00 179.01 179.39 3jtu h LEU 22 N 0.46 0.38 0.06 1.64 3.38 -1.15 -0.25 115.31 119.83 3jtu h LEU 22 Ca 0.09 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3jtu h LEU 22 Cb 0.56 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3jtu h LEU 22 CO 0.03 0.27 -0.09 0.74 0.09 0.00 0.00 178.44 179.47 3jtu h THR 23 N 0.49 0.78 -0.36 0.22 2.02 -1.02 -0.55 112.91 114.48 3jtu h THR 23 Ca 0.18 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.29 3jtu h THR 23 Cb 0.05 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3jtu h THR 23 CO -0.11 0.00 -0.08 -0.61 0.37 0.00 0.00 175.52 175.10 3jtu h GLN 24 N -0.20 0.69 -0.35 6.66 4.15 -1.11 -1.23 115.11 123.72 3jtu h GLN 24 Ca 0.01 -0.26 -0.07 0.00 0.77 0.00 0.00 58.65 59.11 3jtu h GLN 24 Cb 0.21 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3jtu h GLN 24 CO -0.05 0.84 -0.08 1.96 -1.93 0.00 0.00 178.83 179.58 3jtu h GLN 25 N 0.49 0.58 -0.09 1.69 1.08 -0.97 -1.51 115.11 116.38 3jtu h GLN 25 Ca 0.09 -0.16 -0.19 0.00 -1.45 0.00 0.00 58.65 56.95 3jtu h GLN 25 Cb 0.58 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 3jtu h GLN 25 CO 0.03 0.66 -0.73 -0.07 -0.95 0.00 0.00 178.83 177.77 3jtu h LEU 26 N 0.54 0.51 -0.40 1.46 3.38 -0.96 0.14 115.31 119.98 3jtu h LEU 26 Ca 0.10 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3jtu h LEU 26 Cb 0.46 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3jtu h LEU 26 CO 0.02 1.08 0.24 0.00 0.09 0.00 0.00 178.44 179.87 3jtu h ALA 27 N 0.91 0.50 -0.31 1.53 0.00 -0.89 -0.28 119.26 120.72 3jtu h ALA 27 Ca -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3jtu h ALA 27 Cb 1.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3jtu h ALA 27 CO 0.13 -0.01 0.13 0.37 0.00 0.00 0.00 179.25 179.87 3jtu h GLN 28 N 0.52 0.46 -0.55 0.00 5.75 -1.17 -0.15 115.11 119.99 3jtu h GLN 28 Ca 0.14 -0.08 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 3jtu h GLN 28 Cb -0.01 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3jtu h GLN 28 CO -0.03 0.46 0.02 0.00 -2.65 0.00 0.00 178.83 176.63 3jtu h ALA 29 N 0.98 1.00 0.00 3.38 0.00 -0.73 -2.99 119.26 120.90 3jtu h ALA 29 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3jtu h ALA 29 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3jtu h ALA 29 CO -0.01 0.62 -0.71 0.25 0.00 0.00 0.00 179.25 179.40 3jtu n THR 30 N -4.20 0.14 -1.97 0.00 -2.24 -0.14 -4.95 114.28 100.92 3jtu n THR 30 Ca 0.03 -0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.55 3jtu n THR 30 Cb 0.31 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 3jtu n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jtu n GLY 31 N 1.42 0.29 3.47 3.38 0.00 -0.12 -5.02 105.19 108.62 3jtu n GLY 31 Ca 0.04 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 3jtu n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jtu s LYS 32 N -4.14 1.83 0.42 1.61 1.02 -0.91 -5.04 119.74 114.54 3jtu s LYS 32 Ca 0.00 -1.14 -0.26 0.00 0.02 0.00 0.00 55.97 54.59 3jtu s LYS 32 Cb 0.00 -2.11 -0.09 0.00 -0.52 0.00 0.00 37.83 35.10 3jtu s LYS 32 CO 0.00 0.49 1.44 -2.30 -0.92 0.00 0.00 175.35 174.06 3jtu n PRO 33 N 1.03 2.37 0.31 -1.68 -0.02 -1.26 -4.54 135.00 131.21 3jtu n PRO 33 Ca -0.16 0.84 0.18 0.00 -2.02 0.00 0.00 63.50 62.33 3jtu n PRO 33 Cb 0.53 -2.62 1.01 0.00 -0.02 0.00 0.00 33.50 32.39 3jtu n PRO 33 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3jtu h PRO 34 N 2.50 0.00 -0.08 0.52 0.13 -1.92 -1.78 132.00 131.38 3jtu h PRO 34 Ca -0.50 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.65 3jtu h PRO 34 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3jtu h PRO 34 CO 0.62 0.01 0.11 1.96 -0.23 0.00 0.00 178.00 180.47 3jtu h GLN 35 N 0.00 0.00 0.00 0.86 7.50 -1.99 -2.07 115.11 119.41 3jtu h GLN 35 Ca -0.00 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 59.08 3jtu h GLN 35 Cb 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.54 3jtu h GLN 35 CO 0.00 0.00 -0.95 1.88 -1.50 0.00 0.00 178.83 178.26 3jtu h TYR 36 N 0.00 0.00 -3.33 2.96 0.05 -1.68 -3.47 116.97 111.49 3jtu h TYR 36 Ca 0.04 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.27 3jtu h TYR 36 Cb 0.26 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.97 3jtu h TYR 36 CO 0.00 0.25 0.46 0.42 -1.05 0.00 0.00 178.16 178.24 3jtu s ILE 37 N -3.15 4.83 -0.06 -2.88 -1.09 -0.78 -4.08 121.20 113.98 3jtu s ILE 37 Ca 0.00 2.04 0.03 0.00 -2.23 0.00 0.00 60.65 60.49 3jtu s ILE 37 Cb 0.08 -4.31 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 3jtu s ILE 37 CO 0.78 0.08 -0.13 0.00 -1.23 0.00 0.00 174.94 174.44 3jtu s ALA 38 N 1.52 2.70 0.03 9.38 0.00 -0.60 -5.03 121.76 129.76 3jtu s ALA 38 Ca 0.50 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.54 3jtu s ALA 38 Cb -0.20 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 3jtu s ALA 38 CO 0.23 0.51 -0.11 0.14 0.00 0.00 0.00 175.76 176.53 3jtu s VAL 39 N -0.58 0.84 -0.11 0.00 -7.23 -1.26 -1.13 120.40 110.93 3jtu s VAL 39 Ca 0.08 -0.85 -0.04 0.00 -1.81 0.00 0.00 61.98 59.36 3jtu s VAL 39 Cb -0.11 -0.78 0.06 0.00 0.56 0.00 0.00 36.38 36.10 3jtu s VAL 39 CO 0.01 -0.05 0.22 -2.28 -0.31 0.00 0.00 175.10 172.69 3jtu s HIS 40 N -0.81 -0.31 -0.12 2.82 5.04 -0.29 -4.97 115.29 116.64 3jtu s HIS 40 Ca -0.01 0.80 0.03 0.00 -1.54 0.00 0.00 55.06 54.34 3jtu s HIS 40 Cb -0.07 -0.13 0.00 0.00 0.04 0.00 0.00 32.58 32.42 3jtu s HIS 40 CO 0.01 -0.31 -0.21 0.08 -2.34 0.00 0.00 174.74 171.96 3jtu s VAL 41 N 2.29 2.21 -0.37 0.89 1.01 -1.26 -0.64 120.40 124.54 3jtu s VAL 41 Ca 0.01 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.06 3jtu s VAL 41 Cb -0.12 -1.87 0.11 0.00 0.00 0.00 0.00 36.38 34.50 3jtu s VAL 41 CO -0.07 0.55 0.12 -0.69 0.00 0.00 0.00 175.10 175.00 3jtu s VAL 42 N 0.54 1.71 0.84 2.92 1.01 0.90 -4.98 120.40 123.35 3jtu s VAL 42 Ca -0.13 -2.17 -0.09 0.00 0.00 0.00 0.00 61.98 59.59 3jtu s VAL 42 Cb -0.17 -2.25 0.16 0.00 0.00 0.00 0.00 36.38 34.12 3jtu s VAL 42 CO 0.04 -0.69 1.16 -2.16 0.00 0.00 0.00 175.10 173.45 3jtu s PRO 43 N 0.92 1.20 -1.63 2.72 0.04 -1.26 -1.08 135.00 135.91 3jtu s PRO 43 Ca 0.12 -0.69 0.00 0.00 0.04 0.00 0.00 61.00 60.47 3jtu s PRO 43 Cb -0.20 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3jtu s PRO 43 CO -0.12 -1.92 0.00 -0.25 0.04 0.00 0.00 177.00 174.75 3jtu n ASP 44 N -3.31 -5.05 -4.81 6.66 8.00 -0.14 -4.83 116.55 113.07 3jtu n ASP 44 Ca 0.15 0.20 -0.34 0.00 0.71 0.00 0.00 54.79 55.50 3jtu n ASP 44 Cb 0.60 -4.10 -0.07 0.00 -0.02 0.00 0.00 41.12 37.54 3jtu n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3jtu s GLN 45 N -4.17 4.33 -0.82 -1.24 -1.52 -0.34 -4.93 119.66 110.97 3jtu s GLN 45 Ca 0.00 1.14 -0.22 0.00 -1.95 0.00 0.00 55.36 54.32 3jtu s GLN 45 Cb 0.00 -2.45 0.08 0.00 -0.22 0.00 0.00 33.01 30.41 3jtu s GLN 45 CO 0.00 0.12 1.16 -1.17 -0.25 0.00 0.00 175.29 175.14 3jtu s LEU 46 N -2.71 4.20 0.07 2.90 2.96 -1.26 -4.07 118.68 120.76 3jtu s LEU 46 Ca 0.56 -1.29 -0.07 0.00 -0.22 0.00 0.00 54.13 53.11 3jtu s LEU 46 Cb -0.13 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 44.09 3jtu s LEU 46 CO 0.17 -1.41 0.14 0.00 -1.32 0.00 0.00 176.35 173.93 3jtu s MET 47 N 4.13 0.77 0.06 1.98 0.23 -1.26 -5.08 119.30 120.13 3jtu s MET 47 Ca 0.32 -0.97 0.03 0.00 -1.03 0.00 0.00 55.69 54.04 3jtu s MET 47 Cb -0.09 0.31 -0.03 0.00 -1.53 0.00 0.00 34.83 33.49 3jtu s MET 47 CO 0.01 -0.22 -0.09 0.00 -2.03 0.00 0.00 175.02 172.69 3jtu s ALA 48 N -3.68 0.78 -0.09 3.16 0.00 -1.26 -4.70 121.76 115.96 3jtu s ALA 48 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3jtu s ALA 48 Cb 0.05 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3jtu s ALA 48 CO -0.10 0.01 -0.08 0.12 0.00 0.00 0.00 175.76 175.71 3jtu s PHE 49 N -1.54 1.33 -1.81 0.00 2.19 -0.51 -4.70 117.98 112.94 3jtu s PHE 49 Ca -0.06 -0.58 0.00 0.00 0.33 0.00 0.00 56.93 56.62 3jtu s PHE 49 Cb -0.09 -1.09 0.00 0.00 -1.31 0.00 0.00 43.02 40.53 3jtu s PHE 49 CO 0.01 -0.40 0.00 0.41 1.83 0.00 0.00 175.22 177.07 3jtu n GLY 50 N 4.54 0.99 2.73 13.12 0.00 -1.26 -1.53 105.19 123.78 3jtu n GLY 50 Ca -0.16 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3jtu n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jtu n GLY 51 N -0.83 1.43 3.82 -0.02 0.00 -1.26 -5.02 105.19 103.30 3jtu n GLY 51 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 3jtu n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jtu s SER 52 N -3.22 5.92 -0.04 1.61 0.15 -0.59 -5.01 113.70 112.54 3jtu s SER 52 Ca 0.00 0.25 0.17 0.00 0.70 0.00 0.00 55.95 57.08 3jtu s SER 52 Cb 0.00 -1.78 0.56 0.00 -1.71 0.00 0.00 66.02 63.09 3jtu s SER 52 CO 0.00 0.31 1.46 -1.54 1.20 0.00 0.00 173.24 174.67 3jtu n SER 53 N 1.37 3.56 -4.57 5.45 3.41 -1.26 -1.43 113.62 120.15 3jtu n SER 53 Ca -0.14 -2.14 -0.31 0.00 -0.26 0.00 0.00 58.87 56.01 3jtu n SER 53 Cb 0.53 -0.45 0.18 0.00 -0.26 0.00 0.00 64.21 64.21 3jtu n SER 53 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3jtu n GLU 54 N 1.14 -0.85 -1.61 4.33 1.02 -1.26 -4.84 120.64 118.56 3jtu n GLU 54 Ca 0.21 -0.20 -0.48 0.00 -0.02 0.00 0.00 57.16 56.67 3jtu n GLU 54 Cb 0.61 -2.22 -0.04 0.00 -0.02 0.00 0.00 31.44 29.77 3jtu n GLU 54 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3jtu n PRO 55 N -3.86 1.45 -4.00 3.49 -0.02 -1.26 -4.80 135.00 126.01 3jtu n PRO 55 Ca 0.09 0.52 -0.11 0.00 -2.02 0.00 0.00 63.50 61.98 3jtu n PRO 55 Cb 0.53 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.86 3jtu n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jtu s ALA 57 N -3.40 -0.96 -0.16 0.00 0.00 -0.82 -3.50 121.76 112.92 3jtu s ALA 57 Ca 0.24 0.96 0.01 0.00 0.00 0.00 0.00 51.96 53.17 3jtu s ALA 57 Cb -0.01 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.63 3jtu s ALA 57 CO 0.13 -0.21 -0.19 -0.51 0.00 0.00 0.00 175.76 174.99 3jtu s LEU 58 N -0.13 2.24 0.22 0.00 1.43 0.02 -2.07 118.68 120.39 3jtu s LEU 58 Ca -0.03 -0.58 0.06 0.00 -1.03 0.00 0.00 54.13 52.55 3jtu s LEU 58 Cb -0.03 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 3jtu s LEU 58 CO 0.02 0.05 -0.08 0.00 0.23 0.00 0.00 176.35 176.56 3jtu s SER 60 N -3.32 0.13 -0.13 0.00 1.04 -0.48 -0.89 113.70 110.04 3jtu s SER 60 Ca 0.25 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.38 3jtu s SER 60 Cb 0.02 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.28 3jtu s SER 60 CO 0.07 -0.24 -0.11 -0.22 0.98 0.00 0.00 173.24 173.73 3jtu s LEU 61 N -1.05 1.46 -0.13 2.42 2.96 -0.29 -1.38 118.68 122.67 3jtu s LEU 61 Ca -0.11 -0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 53.34 3jtu s LEU 61 Cb -0.07 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.56 3jtu s LEU 61 CO -0.00 -0.08 0.04 -1.00 -1.32 0.00 0.00 176.35 173.99 3jtu s HIS 62 N 1.58 3.26 -0.09 5.38 3.76 -0.55 -1.00 115.29 127.62 3jtu s HIS 62 Ca 0.05 0.16 -0.14 0.00 -0.15 0.00 0.00 55.06 54.98 3jtu s HIS 62 Cb -0.13 -1.94 0.03 0.00 1.11 0.00 0.00 32.58 31.66 3jtu s HIS 62 CO -0.09 0.35 0.35 0.45 -0.85 0.00 0.00 174.74 174.95 3jtu s SER 63 N -0.33 -0.31 -0.78 1.40 0.15 -0.72 -1.54 113.70 111.57 3jtu s SER 63 Ca 0.08 0.48 -0.23 0.00 0.70 0.00 0.00 55.95 56.98 3jtu s SER 63 Cb -0.12 0.57 0.07 0.00 -1.71 0.00 0.00 66.02 64.83 3jtu s SER 63 CO 0.02 -0.27 1.12 -0.63 1.20 0.00 0.00 173.24 174.69 3jtu s ILE 64 N -0.45 4.25 0.00 6.45 1.01 -1.26 -0.92 121.20 130.28 3jtu s ILE 64 Ca -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3jtu s ILE 64 Cb -0.04 -4.80 0.00 0.00 0.01 0.00 0.00 42.46 37.63 3jtu s ILE 64 CO 0.02 -1.61 0.00 0.61 0.00 0.00 0.00 174.94 173.96 3jtu n GLY 65 N 5.59 -1.07 2.41 6.18 0.00 -1.26 -4.95 105.19 112.08 3jtu n GLY 65 Ca 0.09 -1.63 -0.20 0.00 0.00 0.00 0.00 46.02 44.28 3jtu n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jtu n LYS 66 N -1.03 -1.54 -5.20 1.61 4.76 -1.26 -4.95 118.16 110.55 3jtu n LYS 66 Ca 0.00 0.99 -0.32 0.00 -2.87 0.00 0.00 58.31 56.11 3jtu n LYS 66 Cb 0.00 -5.54 -0.17 0.00 -1.84 0.00 0.00 35.03 27.48 3jtu n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3jtu s ILE 67 N -2.94 2.13 0.00 -0.18 -1.09 -1.26 -4.84 121.20 113.02 3jtu s ILE 67 Ca 0.00 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.42 3jtu s ILE 67 Cb 0.00 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 39.07 3jtu s ILE 67 CO 0.00 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 3jtu n GLY 68 N 3.44 -0.96 0.00 6.18 0.00 -1.26 -4.99 105.19 107.61 3jtu n GLY 68 Ca -0.19 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3jtu n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jtu n GLY 69 N -0.54 -3.44 0.29 -0.02 0.00 -1.26 0.25 105.19 100.48 3jtu n GLY 69 Ca 0.00 0.67 -0.08 0.00 0.00 0.00 0.00 46.02 46.61 3jtu n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jtu h ALA 70 N -1.66 0.89 -0.76 4.61 0.00 -2.00 -2.57 119.26 117.78 3jtu h ALA 70 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3jtu h ALA 70 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3jtu h ALA 70 CO 0.00 0.65 0.45 1.96 0.00 0.00 0.00 179.25 182.30 3jtu h GLN 71 N 0.87 1.04 -0.34 0.00 4.20 -1.88 -1.57 115.11 117.42 3jtu h GLN 71 Ca 0.15 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 3jtu h GLN 71 Cb 0.58 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3jtu h GLN 71 CO 0.04 0.74 -0.24 -0.91 -0.67 0.00 0.00 178.83 177.78 3jtu h ASN 72 N 1.04 0.69 -0.28 1.46 2.35 0.01 -0.34 115.58 120.50 3jtu h ASN 72 Ca 0.27 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 3jtu h ASN 72 Cb -0.02 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3jtu h ASN 72 CO -0.05 0.91 -0.04 0.03 -1.65 0.00 0.00 177.43 176.63 3jtu h ARG 73 N 0.59 0.64 -0.28 0.81 3.08 -1.13 -0.17 114.38 117.93 3jtu h ARG 73 Ca 0.08 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 3jtu h ARG 73 Cb 0.73 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3jtu h ARG 73 CO 0.06 0.69 -0.13 1.03 -1.07 0.00 0.00 179.97 180.54 3jtu h SER 74 N 0.60 0.60 -0.94 7.04 0.87 -0.86 -1.81 113.55 119.04 3jtu h SER 74 Ca 0.12 -0.41 0.04 0.00 -1.23 0.00 0.00 61.79 60.31 3jtu h SER 74 Cb 0.44 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.18 3jtu h SER 74 CO 0.02 0.87 0.61 1.88 -0.53 0.00 0.00 176.83 179.69 3jtu h TYR 75 N 0.32 1.15 -0.53 2.24 0.05 -0.82 -1.68 116.97 117.69 3jtu h TYR 75 Ca 0.06 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.80 3jtu h TYR 75 Cb 0.65 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 3jtu h TYR 75 CO 0.06 0.66 0.07 0.77 -1.05 0.00 0.00 178.16 178.68 3jtu h SER 76 N 1.19 0.86 -0.49 3.88 0.02 -0.84 0.13 113.55 118.29 3jtu h SER 76 Ca 0.38 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3jtu h SER 76 Cb 0.00 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3jtu h SER 76 CO -0.12 0.91 0.24 0.50 -1.14 0.00 0.00 176.83 177.22 3jtu h LYS 77 N 0.77 0.71 0.00 3.45 3.64 -1.09 0.61 116.57 124.67 3jtu h LYS 77 Ca 0.16 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3jtu h LYS 77 Cb 0.42 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3jtu h LYS 77 CO 0.01 0.59 -0.00 1.25 -2.27 0.00 0.00 179.45 179.03 3jtu h LEU 78 N 0.65 -0.01 -0.07 5.20 5.85 -1.00 -1.73 115.31 124.21 3jtu h LEU 78 Ca 0.17 -0.17 -0.22 0.00 0.84 0.00 0.00 57.88 58.50 3jtu h LEU 78 Cb 0.11 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.16 3jtu h LEU 78 CO -0.02 0.17 -0.81 -0.07 -0.34 0.00 0.00 178.44 177.37 3jtu h LEU 79 N -0.18 0.83 -1.09 2.25 3.38 -0.65 -1.98 115.31 117.87 3jtu h LEU 79 Ca -0.00 -0.69 -0.02 0.00 0.09 0.00 0.00 57.88 57.26 3jtu h LEU 79 Cb 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3jtu h LEU 79 CO 0.00 1.40 0.38 0.00 0.09 0.00 0.00 178.44 180.31 3jtu h GLY 81 N 1.07 1.02 1.08 0.00 0.00 -1.12 -0.25 103.07 104.88 3jtu h GLY 81 Ca 0.26 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 3jtu h GLY 81 CO -0.04 0.35 -0.30 1.41 0.00 0.00 0.00 176.54 177.96 3jtu h LEU 82 N 0.95 0.94 -1.08 3.11 3.38 -0.89 -1.30 115.31 120.43 3jtu h LEU 82 Ca 0.27 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 3jtu h LEU 82 Cb -0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 3jtu h LEU 82 CO -0.07 1.18 -0.19 -0.07 0.09 0.00 0.00 178.44 179.38 3jtu h LEU 83 N 0.71 0.42 -0.06 1.67 3.38 -0.90 0.19 115.31 120.71 3jtu h LEU 83 Ca 0.07 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3jtu h LEU 83 Cb 0.88 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3jtu h LEU 83 CO 0.08 0.62 -0.19 0.00 0.09 0.00 0.00 178.44 179.04 3jtu h ALA 84 N 1.42 0.11 -0.27 1.53 0.00 -0.93 -1.21 119.26 119.89 3jtu h ALA 84 Ca 0.07 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 3jtu h ALA 84 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3jtu h ALA 84 CO 0.04 0.06 -0.34 1.49 0.00 0.00 0.00 179.25 180.49 3jtu h GLU 85 N -0.28 0.72 0.08 0.00 4.81 -1.14 -1.69 114.58 117.08 3jtu h GLU 85 Ca -0.01 -0.40 -0.35 0.00 -0.13 0.00 0.00 59.36 58.47 3jtu h GLU 85 Cb 0.81 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 3jtu h GLU 85 CO 0.04 1.02 -2.01 0.54 -0.73 0.00 0.00 179.01 177.88 3jtu n ARG 86 N -4.22 0.72 0.00 1.92 5.12 0.04 -4.42 116.66 115.81 3jtu n ARG 86 Ca -0.04 0.25 0.05 0.00 -1.93 0.00 0.00 57.85 56.17 3jtu n ARG 86 Cb 0.51 -1.70 0.02 0.00 -1.16 0.00 0.00 32.46 30.13 3jtu n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3jtu n LEU 87 N -3.32 1.58 -3.22 0.55 4.77 -0.53 -4.62 117.00 112.21 3jtu n LEU 87 Ca -0.30 -0.90 -0.23 0.00 -0.03 0.00 0.00 56.01 54.55 3jtu n LEU 87 Cb 1.05 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.19 3jtu n LEU 87 CO 0.42 0.31 0.12 0.54 -1.33 0.00 0.00 177.39 177.44 3jtu n ARG 88 N 0.23 -6.27 -3.72 3.23 1.74 -0.64 -4.95 116.66 106.29 3jtu n ARG 88 Ca 0.05 0.85 -0.35 0.00 -0.77 0.00 0.00 57.85 57.63 3jtu n ARG 88 Cb 0.24 -5.75 -0.09 0.00 -1.02 0.00 0.00 32.46 25.84 3jtu n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3jtu s ILE 89 N -3.24 5.34 0.25 0.55 1.01 -0.95 -4.92 121.20 119.24 3jtu s ILE 89 Ca 0.43 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.95 3jtu s ILE 89 Cb -0.19 -3.46 -0.10 0.00 0.01 0.00 0.00 42.46 38.72 3jtu s ILE 89 CO 0.54 0.41 1.50 -0.55 0.00 0.00 0.00 174.94 176.83 3jtu s SER 90 N 0.61 6.57 0.49 3.58 0.15 -1.26 -3.49 113.70 120.36 3jtu s SER 90 Ca 0.08 2.73 0.20 0.00 0.70 0.00 0.00 55.95 59.66 3jtu s SER 90 Cb -0.12 -2.62 1.25 0.00 -1.71 0.00 0.00 66.02 62.82 3jtu s SER 90 CO 0.00 -0.77 2.01 -0.65 1.20 0.00 0.00 173.24 175.03 3jtu h PRO 91 N 5.23 0.14 -0.06 5.44 0.11 -1.97 -0.03 132.00 140.86 3jtu h PRO 91 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3jtu h PRO 91 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3jtu h PRO 91 CO 0.80 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.28 3jtu n ASP 92 N -4.43 0.40 -1.01 -2.05 5.68 -1.26 -2.65 116.55 111.23 3jtu n ASP 92 Ca 0.08 -1.77 -0.02 0.00 -0.50 0.00 0.00 54.79 52.57 3jtu n ASP 92 Cb 0.46 -0.04 0.17 0.00 -1.14 0.00 0.00 41.12 40.57 3jtu n ASP 92 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3jtu n ARG 93 N -0.39 2.04 -4.73 0.11 1.74 -0.03 -5.00 116.66 110.40 3jtu n ARG 93 Ca 0.08 -3.45 -0.25 0.00 -0.77 0.00 0.00 57.85 53.45 3jtu n ARG 93 Cb 0.09 -1.79 -0.16 0.00 -1.02 0.00 0.00 32.46 29.58 3jtu n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jtu s VAL 94 N -3.53 1.31 -0.05 1.55 1.01 -1.08 -1.94 120.40 117.66 3jtu s VAL 94 Ca 0.42 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.83 3jtu s VAL 94 Cb 0.39 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 3jtu s VAL 94 CO -0.04 0.39 -0.18 -0.31 0.00 0.00 0.00 175.10 174.96 3jtu s TYR 95 N 0.31 2.60 -0.15 5.22 2.02 -0.88 -5.01 117.35 121.46 3jtu s TYR 95 Ca -0.09 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 3jtu s TYR 95 Cb -0.13 -1.62 0.03 0.00 -0.40 0.00 0.00 41.96 39.83 3jtu s TYR 95 CO 0.03 0.03 -0.11 0.42 -1.57 0.00 0.00 175.55 174.35 3jtu s ILE 96 N -0.49 1.43 -0.16 2.71 1.01 -1.26 -0.26 121.20 124.17 3jtu s ILE 96 Ca 0.06 -0.63 -0.20 0.00 0.00 0.00 0.00 60.65 59.88 3jtu s ILE 96 Cb -0.12 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 3jtu s ILE 96 CO 0.01 0.35 0.60 0.20 0.00 0.00 0.00 174.94 176.11 3jtu s ASN 97 N 1.53 6.72 -0.17 3.58 0.01 -0.07 -4.95 114.94 121.60 3jtu s ASN 97 Ca 0.03 0.87 -0.08 0.00 -0.71 0.00 0.00 52.86 52.97 3jtu s ASN 97 Cb -0.14 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 3jtu s ASN 97 CO -0.09 -0.18 0.11 -0.31 -1.51 0.00 0.00 177.10 175.12 3jtu s TYR 98 N 1.45 3.43 -0.16 2.20 2.02 -1.26 -1.13 117.35 123.90 3jtu s TYR 98 Ca 0.29 0.34 0.01 0.00 -0.37 0.00 0.00 57.07 57.33 3jtu s TYR 98 Cb -0.16 -2.06 0.02 0.00 -0.40 0.00 0.00 41.96 39.36 3jtu s TYR 98 CO 0.11 0.41 -0.15 0.71 -1.57 0.00 0.00 175.55 175.06 3jtu s TYR 99 N -0.12 2.32 -0.66 2.71 2.02 -0.17 -4.97 117.35 118.48 3jtu s TYR 99 Ca 0.09 -1.34 -0.22 0.00 -0.37 0.00 0.00 57.07 55.24 3jtu s TYR 99 Cb -0.12 -1.67 0.08 0.00 -0.40 0.00 0.00 41.96 39.85 3jtu s TYR 99 CO 0.00 -0.71 0.95 0.34 -1.57 0.00 0.00 175.55 174.56 3jtu s ASP 100 N 1.44 6.19 0.16 2.29 2.15 -1.26 -1.76 116.67 125.88 3jtu s ASP 100 Ca 0.05 -1.07 -0.24 0.00 0.43 0.00 0.00 52.55 51.71 3jtu s ASP 100 Cb -0.13 -2.41 -0.08 0.00 -0.30 0.00 0.00 42.92 40.01 3jtu s ASP 100 CO -0.11 -1.40 0.74 -0.04 -0.17 0.00 0.00 175.17 174.19 3jtu s MET 101 N 3.88 4.48 0.31 4.34 -1.94 -0.09 -4.91 119.30 125.37 3jtu s MET 101 Ca 0.21 1.06 -0.28 0.00 -1.71 0.00 0.00 55.69 54.98 3jtu s MET 101 Cb -0.17 -3.21 -0.09 0.00 2.01 0.00 0.00 34.83 33.36 3jtu s MET 101 CO 0.09 0.56 1.06 1.21 -0.01 0.00 0.00 175.02 177.93 3jtu s ASN 102 N -1.20 7.18 0.51 3.03 2.47 -1.26 -4.19 114.94 121.48 3jtu s ASN 102 Ca 0.35 2.15 0.19 0.00 0.42 0.00 0.00 52.86 55.98 3jtu s ASN 102 Cb -0.22 -2.61 1.28 0.00 -1.45 0.00 0.00 41.25 38.25 3jtu s ASN 102 CO 0.24 -0.19 2.06 0.00 -3.72 0.00 0.00 177.10 175.49 3jtu h ALA 103 N 3.48 2.21 0.00 1.71 0.00 -1.95 0.12 119.26 124.83 3jtu h ALA 103 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3jtu h ALA 103 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3jtu h ALA 103 CO 0.66 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.61 3jtu h ALA 104 N 1.83 1.00 -0.47 0.00 0.00 -1.92 -2.68 119.26 117.03 3jtu h ALA 104 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3jtu h ALA 104 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3jtu h ALA 104 CO -0.01 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.33 3jtu n ASN 105 N -2.34 4.27 -4.03 0.00 5.03 0.42 -4.85 115.26 113.76 3jtu n ASN 105 Ca 0.03 -2.59 -0.31 0.00 0.87 0.00 0.00 54.58 52.59 3jtu n ASN 105 Cb 0.30 -0.51 -0.16 0.00 -1.02 0.00 0.00 39.78 38.39 3jtu n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3jtu s VAL 106 N -2.08 1.72 0.15 2.41 1.01 -1.15 -4.89 120.40 117.56 3jtu s VAL 106 Ca 0.43 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 3jtu s VAL 106 Cb 0.30 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.94 3jtu s VAL 106 CO 0.17 0.33 0.46 -0.83 0.00 0.00 0.00 175.10 175.23 3jtu s GLY 107 N 1.40 2.30 -0.28 4.51 0.00 -1.26 -2.50 107.32 111.48 3jtu s GLY 107 Ca 0.02 -0.37 -0.22 0.00 0.00 0.00 0.00 44.72 44.14 3jtu s GLY 107 CO -0.10 -0.22 0.98 0.86 0.00 0.00 0.00 173.10 174.63 3jtu s TRP 108 N -1.61 -0.55 -1.33 1.90 -0.00 0.13 -4.96 118.94 112.52 3jtu s TRP 108 Ca 0.40 1.25 -0.00 0.00 -0.00 0.00 0.00 56.10 57.75 3jtu s TRP 108 Cb -0.13 0.37 0.00 0.00 -0.00 0.00 0.00 33.47 33.72 3jtu s TRP 108 CO 0.21 -0.27 0.65 -1.71 -0.00 0.00 0.00 176.95 175.83 3jtu n ASN 109 N 2.71 -1.08 0.00 5.86 4.05 -1.26 -1.59 115.26 123.95 3jtu n ASN 109 Ca -0.14 -0.86 0.00 0.00 0.45 0.00 0.00 54.58 54.03 3jtu n ASN 109 Cb 0.56 -3.85 0.00 0.00 1.23 0.00 0.00 39.78 37.72 3jtu n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3jtu n ASN 110 N -3.04 -1.15 0.00 1.20 3.02 -1.26 -4.90 115.26 109.13 3jtu n ASN 110 Ca -0.29 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 3jtu n ASN 110 Cb 0.68 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 3jtu n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3jtu n SER 111 N -0.07 0.00 -2.39 6.41 2.88 -0.62 -5.19 113.62 114.64 3jtu n SER 111 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 3jtu n SER 111 Cb 0.03 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.47 3jtu n SER 111 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3jtu n THR 112 N 0.00 0.00 0.44 2.46 -2.24 -1.26 -0.69 114.28 112.99 3jtu n THR 112 Ca 0.00 -0.82 0.09 0.00 -2.27 0.00 0.00 64.05 61.04 3jtu n THR 112 Cb 0.00 0.28 0.24 0.00 -2.10 0.00 0.00 70.33 68.75 3jtu n THR 112 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3jtu n PHE 113 N -0.33 0.63 -3.29 4.78 3.72 -1.02 -4.67 117.46 117.27 3jtu n PHE 113 Ca -0.03 -0.31 -0.46 0.00 -0.05 0.00 0.00 57.45 56.60 3jtu n PHE 113 Cb 0.21 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.70 3jtu n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jtu s ALA 114 N -1.37 3.64 -0.60 4.37 0.00 -1.18 -4.74 121.76 121.88 3jtu s ALA 114 Ca 0.34 -2.53 0.07 0.00 0.00 0.00 0.00 51.96 49.85 3jtu s ALA 114 Cb 0.18 -3.31 0.20 0.00 0.00 0.00 0.00 23.12 20.20 3jtu s ALA 114 CO 0.24 -2.07 1.17 1.28 0.00 0.00 0.00 175.76 176.38 3jtu n LEU 115 N 5.34 2.62 -0.05 0.00 4.77 -1.26 -4.72 117.00 123.70 3jtu n LEU 115 Ca -0.13 -2.02 -0.06 0.00 -0.03 0.00 0.00 56.01 53.78 3jtu n LEU 115 Cb 0.40 -0.16 -0.14 0.00 -2.33 0.00 0.00 43.42 41.19 3jtu n LEU 115 CO 0.54 0.65 -0.81 -0.62 -1.33 0.00 0.00 177.39 175.82 3jtu n GLU 116 N 0.15 0.66 0.00 3.23 4.71 -1.26 -5.22 120.64 122.90 3jtu n GLU 116 Ca 0.08 0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.31 3jtu n GLU 116 Cb 0.37 -1.64 0.00 0.00 -1.01 0.00 0.00 31.44 29.17 3jtu n GLU 116 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94