#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0g s SER 2 N 0.00 -0.46 0.11 1.61 0.01 -1.26 -5.17 113.70 108.54 1j0g s SER 2 Ca 0.00 0.66 -0.20 0.00 1.31 0.00 0.00 55.95 57.71 1j0g s SER 2 Cb 0.00 0.69 0.05 0.00 0.21 0.00 0.00 66.02 66.97 1j0g s SER 2 CO 0.00 -0.37 0.50 -1.83 0.41 0.00 0.00 173.24 171.96 1j0g s GLU 3 N -0.59 1.13 -0.18 12.44 -1.05 -1.26 -5.15 118.70 124.04 1j0g s GLU 3 Ca -0.07 -0.48 -0.00 0.00 -0.15 0.00 0.00 54.97 54.27 1j0g s GLU 3 Cb -0.03 0.51 0.05 0.00 -0.44 0.00 0.00 34.13 34.21 1j0g s GLU 3 CO 0.04 -0.45 -0.05 0.20 0.95 0.00 0.00 175.26 175.95 1j0g s GLY 4 N -2.53 1.01 0.54 -3.83 0.00 -1.26 -5.07 107.32 96.19 1j0g s GLY 4 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1j0g s GLY 4 CO -0.09 0.97 0.00 0.00 0.00 0.00 0.00 173.10 173.97 1j0g n ALA 5 N 4.84 -3.75 -2.77 3.20 0.00 -1.26 -4.76 120.51 116.01 1j0g n ALA 5 Ca -0.12 0.79 -0.37 0.00 0.00 0.00 0.00 53.44 53.74 1j0g n ALA 5 Cb 0.47 -1.49 -0.12 0.00 0.00 0.00 0.00 19.45 18.31 1j0g n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g s ALA 6 N -3.67 3.39 0.44 0.00 0.00 -1.26 -5.08 121.76 115.58 1j0g s ALA 6 Ca 0.00 -1.11 -0.22 0.00 0.00 0.00 0.00 51.96 50.64 1j0g s ALA 6 Cb 0.00 -2.33 -0.10 0.00 0.00 0.00 0.00 23.12 20.70 1j0g s ALA 6 CO 0.00 -0.53 1.00 0.99 0.00 0.00 0.00 175.76 177.22 1j0g s THR 7 N 1.70 4.05 0.51 0.00 2.01 -1.26 -5.04 115.64 117.61 1j0g s THR 7 Ca 0.07 1.35 -0.13 0.00 0.31 0.00 0.00 61.69 63.29 1j0g s THR 7 Cb -0.16 -3.59 -0.06 0.00 0.01 0.00 0.00 72.50 68.70 1j0g s THR 7 CO 0.08 -0.20 0.93 -0.04 -0.69 0.00 0.00 174.62 174.70 1j0g s MET 8 N -3.01 3.79 0.00 4.92 -1.94 -1.26 -4.56 119.30 117.24 1j0g s MET 8 Ca 0.62 0.73 0.00 0.00 -1.71 0.00 0.00 55.69 55.33 1j0g s MET 8 Cb -0.14 -2.20 0.00 0.00 2.01 0.00 0.00 34.83 34.49 1j0g s MET 8 CO 0.19 -0.28 0.00 -1.13 -0.01 0.00 0.00 175.02 173.78 1j0g n SER 9 N -1.86 -6.62 -4.55 3.03 3.41 -1.26 -4.76 113.62 101.01 1j0g n SER 9 Ca 0.05 0.43 -0.27 0.00 -0.26 0.00 0.00 58.87 58.82 1j0g n SER 9 Cb 0.54 -1.57 -0.10 0.00 -0.26 0.00 0.00 64.21 62.83 1j0g n SER 9 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1j0g s LYS 10 N -0.94 1.94 -0.01 4.33 1.02 -1.26 -2.72 119.74 122.11 1j0g s LYS 10 Ca 0.00 -2.15 0.00 0.00 0.02 0.00 0.00 55.97 53.85 1j0g s LYS 10 Cb 0.00 -1.30 0.01 0.00 -0.52 0.00 0.00 37.83 36.02 1j0g s LYS 10 CO 0.00 -0.21 -0.00 0.14 -0.92 0.00 0.00 175.35 174.35 1j0g s VAL 11 N -2.95 0.09 -0.20 3.17 -7.23 0.19 -4.66 120.40 108.81 1j0g s VAL 11 Ca 0.27 0.02 -0.05 0.00 -1.81 0.00 0.00 61.98 60.41 1j0g s VAL 11 Cb 0.07 -0.13 -0.02 0.00 0.56 0.00 0.00 36.38 36.86 1j0g s VAL 11 CO 0.13 0.06 -0.01 -0.94 -0.31 0.00 0.00 175.10 174.03 1j0g s SER 12 N 0.37 4.74 -0.13 4.85 1.04 -1.26 -2.34 113.70 120.96 1j0g s SER 12 Ca -0.03 -0.22 -0.05 0.00 0.48 0.00 0.00 55.95 56.13 1j0g s SER 12 Cb -0.05 -1.80 -0.04 0.00 0.10 0.00 0.00 66.02 64.23 1j0g s SER 12 CO -0.01 0.07 0.04 -0.36 0.98 0.00 0.00 173.24 173.95 1j0g s PHE 13 N 0.98 3.24 -0.48 5.02 0.40 -1.20 -4.84 117.98 121.09 1j0g s PHE 13 Ca 0.01 0.13 -0.07 0.00 -0.60 0.00 0.00 56.93 56.41 1j0g s PHE 13 Cb -0.14 -1.94 0.13 0.00 0.51 0.00 0.00 43.02 41.57 1j0g s PHE 13 CO 0.01 0.33 0.33 0.21 0.70 0.00 0.00 175.22 176.80 1j0g s LYS 14 N -0.29 2.37 0.25 0.44 2.20 -1.19 -2.83 119.74 120.69 1j0g s LYS 14 Ca 0.08 -1.90 0.12 0.00 -0.36 0.00 0.00 55.97 53.90 1j0g s LYS 14 Cb -0.12 -3.81 -0.05 0.00 -1.51 0.00 0.00 37.83 32.34 1j0g s LYS 14 CO 0.02 -1.16 -0.21 0.42 -0.36 0.00 0.00 175.35 174.06 1j0g s ILE 15 N 1.08 2.45 -0.06 5.43 1.01 -1.26 -2.72 121.20 127.14 1j0g s ILE 15 Ca 0.08 -2.30 -0.00 0.00 0.00 0.00 0.00 60.65 58.43 1j0g s ILE 15 Cb -0.24 -2.25 0.03 0.00 0.01 0.00 0.00 42.46 40.01 1j0g s ILE 15 CO -0.03 -0.32 -0.01 -0.89 0.00 0.00 0.00 174.94 173.70 1j0g s THR 16 N -2.26 0.35 0.16 2.92 2.01 -1.25 -3.35 115.64 114.21 1j0g s THR 16 Ca 0.27 0.07 -0.31 0.00 0.31 0.00 0.00 61.69 62.03 1j0g s THR 16 Cb -0.06 -0.47 -0.10 0.00 0.01 0.00 0.00 72.50 71.88 1j0g s THR 16 CO 0.13 0.23 1.66 -0.22 -0.69 0.00 0.00 174.62 175.73 1j0g s LEU 17 N 1.55 4.37 -0.72 4.42 2.96 -1.00 -3.88 118.68 126.38 1j0g s LEU 17 Ca -0.02 2.69 -0.09 0.00 -0.22 0.00 0.00 54.13 56.50 1j0g s LEU 17 Cb -0.13 -3.59 0.19 0.00 0.50 0.00 0.00 46.19 43.16 1j0g s LEU 17 CO -0.03 -0.90 0.60 0.42 -1.32 0.00 0.00 176.35 175.12 1j0g s THR 18 N 1.57 4.69 0.00 3.68 -4.23 -1.25 -4.20 115.64 115.89 1j0g s THR 18 Ca 0.73 -2.69 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1j0g s THR 18 Cb -0.45 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 69.43 1j0g s THR 18 CO 0.32 -0.95 0.00 -1.54 -0.54 0.00 0.00 174.62 171.91 1j0g n SER 19 N 3.76 0.00 -4.77 3.99 3.41 -1.26 -4.89 113.62 113.86 1j0g n SER 19 Ca 0.10 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.35 1j0g n SER 19 Cb 0.42 0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 1j0g n SER 19 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1j0g s ASP 20 N -1.63 5.61 -1.16 4.04 2.15 -1.26 -4.87 116.67 119.55 1j0g s ASP 20 Ca 0.00 2.29 -0.13 0.00 0.43 0.00 0.00 52.55 55.14 1j0g s ASP 20 Cb 0.00 -2.59 -0.07 0.00 -0.30 0.00 0.00 42.92 39.96 1j0g s ASP 20 CO 0.00 -1.30 2.27 -0.81 -0.17 0.00 0.00 175.17 175.16 1j0g n PRO 21 N -1.24 2.46 0.00 4.34 -0.04 -1.26 -2.42 135.00 136.84 1j0g n PRO 21 Ca 0.11 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.59 1j0g n PRO 21 Cb 0.50 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 1j0g n PRO 21 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1j0g n ARG 22 N 5.27 0.00 -2.61 0.54 1.85 -1.26 -5.05 116.66 115.39 1j0g n ARG 22 Ca 0.55 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 57.35 1j0g n ARG 22 Cb 0.29 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.70 1j0g n ARG 22 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1j0g n LEU 23 N 0.00 -6.52 -4.81 2.89 4.32 -1.02 -4.99 117.00 106.88 1j0g n LEU 23 Ca 0.00 0.32 -0.33 0.00 -0.02 0.00 0.00 56.01 55.98 1j0g n LEU 23 Cb 0.00 -2.89 -0.00 0.00 -1.62 0.00 0.00 43.42 38.91 1j0g n LEU 23 CO 0.00 -1.66 0.71 -2.16 -1.22 0.00 0.00 177.39 173.07 1j0g s PRO 24 N -2.44 3.45 0.15 3.23 0.04 -1.26 -4.77 135.00 133.41 1j0g s PRO 24 Ca 0.15 1.19 0.08 0.00 0.04 0.00 0.00 61.00 62.47 1j0g s PRO 24 Cb -0.04 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1j0g s PRO 24 CO 0.61 -0.70 -0.19 1.52 0.04 0.00 0.00 177.00 178.28 1j0g s TYR 25 N -2.41 1.82 -0.13 0.56 1.13 -1.26 -2.38 117.35 114.68 1j0g s TYR 25 Ca 0.63 -0.46 -0.09 0.00 -1.41 0.00 0.00 57.07 55.75 1j0g s TYR 25 Cb -0.15 -0.93 0.04 0.00 -1.10 0.00 0.00 41.96 39.82 1j0g s TYR 25 CO 0.34 0.31 0.32 -1.59 -2.51 0.00 0.00 175.55 172.42 1j0g s LYS 26 N -2.62 0.33 -0.34 -3.49 0.00 -1.21 -5.06 119.74 107.34 1j0g s LYS 26 Ca 0.14 0.55 -0.19 0.00 0.00 0.00 0.00 55.97 56.47 1j0g s LYS 26 Cb -0.07 0.04 -0.00 0.00 0.00 0.00 0.00 37.83 37.80 1j0g s LYS 26 CO 0.06 -0.11 0.58 0.08 0.00 0.00 0.00 175.35 175.96 1j0g s VAL 27 N 0.79 4.96 0.46 1.79 1.01 -1.26 -4.11 120.40 124.04 1j0g s VAL 27 Ca -0.05 0.56 -0.00 0.00 0.00 0.00 0.00 61.98 62.49 1j0g s VAL 27 Cb -0.06 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1j0g s VAL 27 CO -0.05 -0.22 0.69 -0.22 0.00 0.00 0.00 175.10 175.30 1j0g s LEU 28 N 2.54 3.63 -0.16 3.92 0.20 -1.13 -4.95 118.68 122.73 1j0g s LEU 28 Ca 0.22 0.36 -0.04 0.00 0.69 0.00 0.00 54.13 55.36 1j0g s LEU 28 Cb -0.15 -3.23 0.08 0.00 -0.43 0.00 0.00 46.19 42.45 1j0g s LEU 28 CO 0.13 -0.71 0.23 -0.94 -0.29 0.00 0.00 176.35 174.77 1j0g s SER 29 N -4.21 0.87 0.09 3.68 1.04 -1.26 -3.27 113.70 110.64 1j0g s SER 29 Ca 0.48 0.18 -0.06 0.00 0.48 0.00 0.00 55.95 57.03 1j0g s SER 29 Cb -0.10 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 1j0g s SER 29 CO 0.39 -0.28 0.12 0.68 0.98 0.00 0.00 173.24 175.13 1j0g s VAL 30 N 2.36 0.15 -0.08 5.02 -7.23 -0.99 -4.97 120.40 114.66 1j0g s VAL 30 Ca 0.04 -1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 58.44 1j0g s VAL 30 Cb -0.14 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 1j0g s VAL 30 CO -0.10 -0.68 1.23 -2.16 -0.31 0.00 0.00 175.10 173.08 1j0g s PRO 31 N -3.91 4.31 0.24 4.82 0.04 -1.26 0.53 135.00 139.77 1j0g s PRO 31 Ca 0.09 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1j0g s PRO 31 Cb 0.06 -3.62 0.58 0.00 0.04 0.00 0.00 34.50 31.56 1j0g s PRO 31 CO -0.08 -0.53 1.23 -0.85 0.04 0.00 0.00 177.00 176.82 1j0g n GLU 32 N 5.61 -0.06 -0.31 4.56 0.28 -1.10 0.12 120.64 129.74 1j0g n GLU 32 Ca 0.12 1.19 -0.04 0.00 -0.16 0.00 0.00 57.16 58.26 1j0g n GLU 32 Cb 0.46 -1.87 0.00 0.00 1.43 0.00 0.00 31.44 31.46 1j0g n GLU 32 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1j0g h SER 33 N 0.00 -1.46 -2.07 -1.84 0.87 -1.90 -1.22 113.55 105.92 1j0g h SER 33 Ca 0.47 0.28 -0.63 0.00 -1.23 0.00 0.00 61.79 60.68 1j0g h SER 33 Cb 0.94 0.72 0.10 0.00 -0.44 0.00 0.00 62.40 63.73 1j0g h SER 33 CO -0.75 -0.30 0.03 0.41 -0.53 0.00 0.00 176.83 175.69 1j0g n THR 34 N -5.43 1.77 -2.53 2.23 -1.04 0.33 -4.08 114.28 105.53 1j0g n THR 34 Ca 0.06 -0.44 -0.36 0.00 -2.04 0.00 0.00 64.05 61.27 1j0g n THR 34 Cb 0.37 -0.77 -0.04 0.00 -1.82 0.00 0.00 70.33 68.07 1j0g n THR 34 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1j0g s PRO 35 N -1.21 4.03 0.41 -2.82 0.04 -1.26 0.19 135.00 134.39 1j0g s PRO 35 Ca 0.63 1.47 0.28 0.00 0.04 0.00 0.00 61.00 63.42 1j0g s PRO 35 Cb -0.78 -2.39 1.48 0.00 0.04 0.00 0.00 34.50 32.85 1j0g s PRO 35 CO 0.58 -0.25 1.87 0.35 0.04 0.00 0.00 177.00 179.58 1j0g h PHE 36 N 2.18 0.00 -0.23 0.56 3.04 -1.81 -1.20 116.94 119.48 1j0g h PHE 36 Ca -0.49 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.40 1j0g h PHE 36 Cb 1.22 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.71 1j0g h PHE 36 CO 0.57 0.00 -0.13 0.00 -2.02 0.00 0.00 178.31 176.73 1j0g h THR 37 N 0.00 1.21 0.00 4.41 1.03 -1.89 -1.81 112.91 115.87 1j0g h THR 37 Ca 0.00 -0.93 -0.13 0.00 -0.01 0.00 0.00 66.41 65.34 1j0g h THR 37 Cb 0.08 1.18 -0.02 0.00 -1.07 0.00 0.00 68.15 68.33 1j0g h THR 37 CO 0.00 0.30 -0.61 0.00 -0.01 0.00 0.00 175.52 175.20 1j0g h ALA 38 N 1.51 0.99 -0.74 0.00 0.00 -1.60 -2.97 119.26 116.45 1j0g h ALA 38 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1j0g h ALA 38 Cb 0.45 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1j0g h ALA 38 CO 0.03 0.76 0.48 0.28 0.00 0.00 0.00 179.25 180.79 1j0g h VAL 39 N 0.00 1.20 -0.26 0.00 2.07 -1.39 0.76 116.25 118.62 1j0g h VAL 39 Ca -0.01 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.20 1j0g h VAL 39 Cb 1.08 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 1j0g h VAL 39 CO 0.08 0.19 -0.24 0.25 0.02 0.00 0.00 177.57 177.87 1j0g h LEU 40 N 1.00 -0.78 0.91 2.57 7.12 -1.35 1.26 115.31 126.04 1j0g h LEU 40 Ca 0.27 0.14 -0.04 0.00 0.13 0.00 0.00 57.88 58.38 1j0g h LEU 40 Cb -0.09 0.37 0.01 0.00 -0.53 0.00 0.00 40.66 40.42 1j0g h LEU 40 CO -0.06 -0.28 -0.44 0.50 -0.13 0.00 0.00 178.44 178.04 1j0g h LYS 41 N -0.24 -1.18 -0.18 1.25 3.64 -1.50 -1.51 116.57 116.86 1j0g h LYS 41 Ca 0.14 0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1j0g h LYS 41 Cb 0.46 0.27 -0.05 0.00 -0.41 0.00 0.00 32.23 32.50 1j0g h LYS 41 CO -0.40 -0.78 -0.39 0.35 -2.27 0.00 0.00 179.45 175.96 1j0g h PHE 42 N -1.29 -1.17 -0.89 1.91 3.04 -0.49 -0.81 116.94 117.25 1j0g h PHE 42 Ca -0.12 0.05 0.16 0.00 3.98 0.00 0.00 57.97 62.03 1j0g h PHE 42 Cb 0.94 0.53 -0.16 0.00 2.56 0.00 0.00 35.95 39.82 1j0g h PHE 42 CO 0.01 -0.37 -0.31 0.00 -2.02 0.00 0.00 178.31 175.62 1j0g h ALA 43 N -0.54 0.31 -0.10 2.41 0.00 0.16 0.29 119.26 121.78 1j0g h ALA 43 Ca 0.03 0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1j0g h ALA 43 Cb 0.45 0.84 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1j0g h ALA 43 CO -0.36 -0.53 -0.16 0.00 0.00 0.00 0.00 179.25 178.20 1j0g h ALA 44 N 1.54 -0.45 -1.10 0.00 0.00 -0.09 0.39 119.26 119.54 1j0g h ALA 44 Ca 0.37 -0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.57 1j0g h ALA 44 Cb 0.62 0.81 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 1j0g h ALA 44 CO -0.91 -0.53 0.75 0.93 0.00 0.00 0.00 179.25 179.48 1j0g h GLU 45 N -0.12 0.19 -0.77 0.00 5.08 0.01 0.74 114.58 119.72 1j0g h GLU 45 Ca 0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1j0g h GLU 45 Cb 0.17 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1j0g h GLU 45 CO -0.16 0.13 0.46 1.49 -1.00 0.00 0.00 179.01 179.92 1j0g h GLU 46 N 0.20 1.05 -0.09 2.33 4.22 0.32 -1.70 114.58 120.89 1j0g h GLU 46 Ca 0.58 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.92 1j0g h GLU 46 Cb 1.86 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1j0g h GLU 46 CO -0.17 0.74 0.00 1.19 -2.18 0.00 0.00 179.01 178.60 1j0g n PHE 47 N -4.49 0.10 -3.29 0.92 3.72 0.21 -4.93 117.46 109.71 1j0g n PHE 47 Ca 0.07 -0.05 -0.17 0.00 -0.05 0.00 0.00 57.45 57.25 1j0g n PHE 47 Cb 0.06 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.66 1j0g n PHE 47 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1j0g n LYS 48 N 0.72 -5.79 -4.44 -1.08 5.02 0.15 -5.02 118.16 107.72 1j0g n LYS 48 Ca 0.17 0.60 -0.25 0.00 -2.02 0.00 0.00 58.31 56.81 1j0g n LYS 48 Cb 0.46 -4.96 -0.11 0.00 -0.02 0.00 0.00 35.03 30.40 1j0g n LYS 48 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1j0g s VAL 49 N -3.23 2.46 0.29 -0.18 -7.23 -0.33 -4.96 120.40 107.22 1j0g s VAL 49 Ca 0.41 -2.20 -0.29 0.00 -1.81 0.00 0.00 61.98 58.09 1j0g s VAL 49 Cb -0.18 -2.24 -0.09 0.00 0.56 0.00 0.00 36.38 34.42 1j0g s VAL 49 CO 0.53 -0.26 1.08 -2.16 -0.31 0.00 0.00 175.10 173.98 1j0g s PRO 50 N -3.11 4.62 -0.39 4.82 0.04 -1.26 -3.70 135.00 136.02 1j0g s PRO 50 Ca 0.26 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 63.03 1j0g s PRO 50 Cb -0.06 -3.14 0.27 0.00 0.04 0.00 0.00 34.50 31.60 1j0g s PRO 50 CO 0.13 0.21 2.00 0.00 0.04 0.00 0.00 177.00 179.39 1j0g n ALA 51 N 1.11 5.33 0.00 8.56 0.00 -1.26 -3.92 120.51 130.33 1j0g n ALA 51 Ca -0.01 -2.02 0.00 0.00 0.00 0.00 0.00 53.44 51.41 1j0g n ALA 51 Cb 0.45 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1j0g n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0g n ALA 52 N 0.06 2.84 -1.14 0.00 0.00 -1.26 -4.72 120.51 116.28 1j0g n ALA 52 Ca 0.37 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.54 1j0g n ALA 52 Cb 0.62 0.49 0.12 0.00 0.00 0.00 0.00 19.45 20.68 1j0g n ALA 52 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j0g n THR 53 N -2.91 3.25 -4.22 0.00 -2.24 -1.25 -4.69 114.28 102.22 1j0g n THR 53 Ca 0.00 -2.21 -0.16 0.00 -2.27 0.00 0.00 64.05 59.41 1j0g n THR 53 Cb 0.49 -0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 67.78 1j0g n THR 53 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1j0g s SER 54 N -1.29 1.73 0.04 3.42 0.01 -1.26 -2.29 113.70 114.06 1j0g s SER 54 Ca 0.56 -0.86 -0.27 0.00 1.31 0.00 0.00 55.95 56.68 1j0g s SER 54 Cb 0.45 -0.02 0.08 0.00 0.21 0.00 0.00 66.02 66.74 1j0g s SER 54 CO 0.05 -0.24 0.73 0.00 0.41 0.00 0.00 173.24 174.19 1j0g s ALA 55 N -2.57 -1.73 0.11 1.44 0.00 0.37 -4.16 121.76 115.22 1j0g s ALA 55 Ca 0.10 0.90 0.04 0.00 0.00 0.00 0.00 51.96 53.00 1j0g s ALA 55 Cb -0.02 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1j0g s ALA 55 CO 0.01 -0.62 0.05 0.42 0.00 0.00 0.00 175.76 175.62 1j0g s ILE 56 N -2.81 4.24 0.37 0.00 1.01 -1.26 -0.13 121.20 122.62 1j0g s ILE 56 Ca -0.01 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 1j0g s ILE 56 Cb -0.01 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.42 1j0g s ILE 56 CO -0.06 0.07 0.60 0.27 0.00 0.00 0.00 174.94 175.82 1j0g s ILE 57 N -1.44 0.00 0.12 2.92 -4.36 -1.13 -4.06 121.20 113.24 1j0g s ILE 57 Ca 0.28 -1.39 0.01 0.00 -0.26 0.00 0.00 60.65 59.29 1j0g s ILE 57 Cb -0.11 -2.79 0.01 0.00 1.25 0.00 0.00 42.46 40.82 1j0g s ILE 57 CO 0.20 0.00 0.12 0.35 0.24 0.00 0.00 174.94 175.85 1j0g n THR 58 N -0.58 0.00 0.39 8.37 -2.24 -0.80 -3.75 114.28 115.67 1j0g n THR 58 Ca -0.02 -0.44 0.04 0.00 -2.27 0.00 0.00 64.05 61.36 1j0g n THR 58 Cb 0.61 -0.59 0.18 0.00 -2.10 0.00 0.00 70.33 68.44 1j0g n THR 58 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1j0g n ASN 59 N -2.30 2.76 -0.32 3.42 0.23 -1.26 -3.36 115.26 114.43 1j0g n ASN 59 Ca 0.01 -2.27 0.06 0.00 -0.53 0.00 0.00 54.58 51.86 1j0g n ASN 59 Cb 0.13 -0.45 0.10 0.00 -2.08 0.00 0.00 39.78 37.48 1j0g n ASN 59 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1j0g n ASP 60 N 0.42 1.50 -3.74 0.53 2.03 -1.26 -4.99 116.55 111.04 1j0g n ASP 60 Ca 0.13 -2.77 -0.23 0.00 0.52 0.00 0.00 54.79 52.44 1j0g n ASP 60 Cb 0.55 -0.36 0.02 0.00 -0.72 0.00 0.00 41.12 40.61 1j0g n ASP 60 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j0g n GLY 61 N -0.87 -0.37 2.84 0.27 0.00 -1.21 -4.98 105.19 100.85 1j0g n GLY 61 Ca 0.11 0.18 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 1j0g n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j0g s ILE 62 N -3.71 0.46 0.14 -0.61 -1.09 -1.26 -4.96 121.20 110.17 1j0g s ILE 62 Ca 0.06 -0.01 -0.02 0.00 -2.23 0.00 0.00 60.65 58.46 1j0g s ILE 62 Cb -0.02 -0.54 0.03 0.00 -1.58 0.00 0.00 42.46 40.35 1j0g s ILE 62 CO 0.83 0.24 0.07 0.61 -1.23 0.00 0.00 174.94 175.46 1j0g n GLY 63 N 4.55 -2.49 3.05 6.18 0.00 -1.26 -1.90 105.19 113.31 1j0g n GLY 63 Ca -0.17 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 1j0g n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j0g s ILE 64 N -0.84 0.65 -0.43 -0.61 -1.09 -1.26 -4.61 121.20 113.01 1j0g s ILE 64 Ca 0.06 -0.74 -0.06 0.00 -2.23 0.00 0.00 60.65 57.67 1j0g s ILE 64 Cb -0.01 -0.62 0.11 0.00 -1.58 0.00 0.00 42.46 40.36 1j0g s ILE 64 CO 0.05 -0.09 0.27 0.21 -1.23 0.00 0.00 174.94 174.14 1j0g s ASN 65 N -0.93 5.49 -0.14 3.58 3.84 -1.26 -4.97 114.94 120.56 1j0g s ASN 65 Ca -0.03 -1.89 -0.05 0.00 0.21 0.00 0.00 52.86 51.11 1j0g s ASN 65 Cb -0.07 -1.93 -0.19 0.00 -0.55 0.00 0.00 41.25 38.52 1j0g s ASN 65 CO 0.00 -0.60 2.80 -0.81 -2.79 0.00 0.00 177.10 175.71 1j0g n PRO 66 N 4.77 1.65 0.04 0.43 -0.04 -1.26 -4.09 135.00 136.51 1j0g n PRO 66 Ca -0.06 -0.87 0.12 0.00 -0.04 0.00 0.00 63.50 62.65 1j0g n PRO 66 Cb 0.41 -1.96 0.24 0.00 -0.04 0.00 0.00 33.50 32.15 1j0g n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j0g n ALA 67 N 2.78 3.01 -2.68 0.55 0.00 -1.26 -4.83 120.51 118.08 1j0g n ALA 67 Ca 0.35 -0.25 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 1j0g n ALA 67 Cb 0.63 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 1j0g n ALA 67 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1j0g s GLN 68 N -3.11 2.14 0.57 0.00 0.00 -1.26 -5.13 119.66 112.88 1j0g s GLN 68 Ca 0.08 -2.37 -0.19 0.00 -0.00 0.00 0.00 55.36 52.89 1j0g s GLN 68 Cb 0.15 -1.11 -0.05 0.00 0.00 0.00 0.00 33.01 32.00 1j0g s GLN 68 CO 0.69 -0.47 1.15 0.95 0.00 0.00 0.00 175.29 177.62 1j0g s THR 69 N -3.01 2.99 0.22 3.63 -4.23 -1.26 -4.17 115.64 109.80 1j0g s THR 69 Ca 0.09 0.60 -0.10 0.00 -1.18 0.00 0.00 61.69 61.10 1j0g s THR 69 Cb 0.01 -3.23 0.22 0.00 1.34 0.00 0.00 72.50 70.83 1j0g s THR 69 CO 0.06 -0.15 1.66 0.00 -0.54 0.00 0.00 174.62 175.66 1j0g h ALA 70 N 1.00 0.65 -0.00 3.99 0.00 0.27 1.39 119.26 126.55 1j0g h ALA 70 Ca -0.50 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1j0g h ALA 70 Cb 1.27 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1j0g h ALA 70 CO 0.56 -0.40 0.05 0.78 0.00 0.00 0.00 179.25 180.24 1j0g h GLY 71 N 0.12 0.00 0.52 0.00 0.00 -1.38 1.63 103.07 103.96 1j0g h GLY 71 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1j0g h GLY 71 CO -0.56 0.00 -1.31 0.70 0.00 0.00 0.00 176.54 175.38 1j0g n ASN 72 N -3.09 0.52 -0.09 0.19 3.02 0.44 -3.28 115.26 112.96 1j0g n ASN 72 Ca -0.03 -0.01 -0.23 0.00 -0.03 0.00 0.00 54.58 54.28 1j0g n ASN 72 Cb 0.11 1.05 -0.12 0.00 -0.61 0.00 0.00 39.78 40.21 1j0g n ASN 72 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1j0g n VAL 73 N -2.25 1.60 0.40 2.41 0.31 0.14 -2.89 118.33 118.05 1j0g n VAL 73 Ca -0.00 -0.37 0.11 0.00 -0.01 0.00 0.00 64.34 64.07 1j0g n VAL 73 Cb 0.51 -1.82 0.47 0.00 -0.91 0.00 0.00 33.84 32.09 1j0g n VAL 73 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1j0g n PHE 74 N -3.95 0.72 -0.08 3.52 -1.74 0.51 -0.88 117.46 115.57 1j0g n PHE 74 Ca -0.39 0.29 -0.07 0.00 -0.56 0.00 0.00 57.45 56.71 1j0g n PHE 74 Cb 0.88 -0.96 -0.03 0.00 1.52 0.00 0.00 39.48 40.89 1j0g n PHE 74 CO 0.00 0.00 0.00 -0.11 -0.56 0.00 0.00 176.76 176.09 1j0g n LEU 75 N -2.16 1.83 0.31 5.98 7.94 -1.21 -0.44 117.00 129.25 1j0g n LEU 75 Ca 0.02 0.58 -0.17 0.00 -1.11 0.00 0.00 56.01 55.33 1j0g n LEU 75 Cb 0.22 -0.87 -0.09 0.00 0.53 0.00 0.00 43.42 43.21 1j0g n LEU 75 CO 0.19 -0.35 0.58 0.50 -1.11 0.00 0.00 177.39 177.20 1j0g h LYS 76 N -1.00 -0.90 -0.02 1.96 3.64 -1.52 -3.18 116.57 115.55 1j0g h LYS 76 Ca -0.05 0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1j0g h LYS 76 Cb 0.67 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1j0g h LYS 76 CO -0.03 -0.60 -0.23 0.45 -2.27 0.00 0.00 179.45 176.76 1j0g h HIS 77 N -0.93 0.27 0.00 1.91 3.86 -1.24 -3.50 115.15 115.51 1j0g h HIS 77 Ca -0.06 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1j0g h HIS 77 Cb 0.79 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1j0g h HIS 77 CO -0.18 0.89 0.00 0.41 0.86 0.00 0.00 177.93 179.92 1j0g n GLY 78 N 0.89 3.55 0.13 2.45 0.00 -0.52 -4.94 105.19 106.75 1j0g n GLY 78 Ca -0.09 -1.82 -0.17 0.00 0.00 0.00 0.00 46.02 43.93 1j0g n GLY 78 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1j0g h SER 79 N 0.00 0.48 -2.23 1.61 0.87 -1.08 -3.40 113.55 109.80 1j0g h SER 79 Ca 0.00 -0.78 -0.53 0.00 -1.23 0.00 0.00 61.79 59.25 1j0g h SER 79 Cb 0.00 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 1j0g h SER 79 CO 0.00 1.20 1.36 -1.61 -0.53 0.00 0.00 176.83 177.25 1j0g s GLU 80 N -3.12 2.87 0.16 2.24 2.02 -1.26 -3.19 118.70 118.42 1j0g s GLU 80 Ca -0.14 1.09 -0.06 0.00 0.02 0.00 0.00 54.97 55.88 1j0g s GLU 80 Cb 0.03 -4.33 -0.02 0.00 0.10 0.00 0.00 34.13 29.91 1j0g s GLU 80 CO 0.81 -2.41 0.20 -0.51 0.02 0.00 0.00 175.26 173.37 1j0g s LEU 81 N 8.51 1.20 0.07 1.80 1.43 -1.10 -4.81 118.68 125.77 1j0g s LEU 81 Ca 0.77 -1.05 0.08 0.00 -1.03 0.00 0.00 54.13 52.90 1j0g s LEU 81 Cb -0.18 0.84 -0.03 0.00 0.03 0.00 0.00 46.19 46.85 1j0g s LEU 81 CO 0.27 -0.85 -0.18 -0.13 0.23 0.00 0.00 176.35 175.68 1j0g s ARG 82 N -4.02 1.96 -0.37 1.70 0.52 -1.25 -3.93 118.95 113.57 1j0g s ARG 82 Ca 0.22 -1.05 -0.13 0.00 -0.52 0.00 0.00 55.73 54.25 1j0g s ARG 82 Cb 0.05 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.37 1j0g s ARG 82 CO 0.03 0.52 0.25 -1.50 0.02 0.00 0.00 175.30 174.62 1j0g s ILE 83 N -0.99 5.15 0.20 1.52 2.07 -1.25 -2.85 121.20 125.05 1j0g s ILE 83 Ca 0.16 -0.45 0.07 0.00 -1.41 0.00 0.00 60.65 59.02 1j0g s ILE 83 Cb -0.10 -3.74 -0.04 0.00 0.13 0.00 0.00 42.46 38.70 1j0g s ILE 83 CO 0.07 -0.13 0.07 0.27 -1.91 0.00 0.00 174.94 173.30 1j0g s ILE 84 N 1.68 3.98 0.12 2.00 -5.25 0.81 -3.84 121.20 120.71 1j0g s ILE 84 Ca 0.05 -1.43 -0.30 0.00 -0.99 0.00 0.00 60.65 57.98 1j0g s ILE 84 Cb -0.18 -3.06 -0.06 0.00 2.95 0.00 0.00 42.46 42.10 1j0g s ILE 84 CO 0.10 -0.20 1.14 -2.16 -1.79 0.00 0.00 174.94 172.03 1j0g s PRO 85 N -3.28 4.51 -1.02 0.37 0.04 -1.26 0.14 135.00 134.50 1j0g s PRO 85 Ca 0.30 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 1j0g s PRO 85 Cb -0.09 -3.32 0.19 0.00 0.04 0.00 0.00 34.50 31.33 1j0g s PRO 85 CO 0.21 -0.09 1.13 0.50 0.04 0.00 0.00 177.00 178.79 1j0g s ARG 86 N 0.34 3.84 -0.27 4.56 3.52 -0.97 -4.77 118.95 125.20 1j0g s ARG 86 Ca 0.54 -2.40 0.02 0.00 -0.13 0.00 0.00 55.73 53.75 1j0g s ARG 86 Cb -0.29 -4.79 0.07 0.00 -1.56 0.00 0.00 34.95 28.39 1j0g s ARG 86 CO 0.32 -1.57 -0.02 -0.51 -0.81 0.00 0.00 175.30 172.71 1j0g s ASP 87 N 2.68 4.17 -0.25 -2.12 1.01 -1.26 -4.60 116.67 116.29 1j0g s ASP 87 Ca 0.32 -1.49 -0.05 0.00 0.71 0.00 0.00 52.55 52.04 1j0g s ASP 87 Cb -0.06 -1.29 0.01 0.00 1.01 0.00 0.00 42.92 42.58 1j0g s ASP 87 CO -0.07 -0.29 0.19 -1.14 0.21 0.00 0.00 175.17 174.08 1j0g n ARG 88 N 4.57 -2.09 -2.67 8.23 0.00 -1.26 -5.04 116.66 118.40 1j0g n ARG 88 Ca -0.07 1.89 -0.04 0.00 -0.00 0.00 0.00 57.85 59.63 1j0g n ARG 88 Cb 0.43 -4.23 0.09 0.00 0.00 0.00 0.00 32.46 28.75 1j0g n ARG 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1j0g n VAL 89 N 0.10 0.00 0.00 5.15 3.14 -1.26 -5.16 118.33 120.30 1j0g n VAL 89 Ca 0.04 -0.77 0.00 0.00 -2.96 0.00 0.00 64.34 60.65 1j0g n VAL 89 Cb 0.15 1.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.96 1j0g n VAL 89 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j0g n GLY 90 N 0.27 -2.48 3.62 7.55 0.00 -1.26 -5.09 105.19 107.80 1j0g n GLY 90 Ca -0.08 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 1j0g n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j0g s SER 91 N -1.80 -0.65 0.00 1.61 0.15 -1.26 -5.23 113.70 106.51 1j0g s SER 91 Ca 0.00 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1j0g s SER 91 Cb 0.00 1.17 0.00 0.00 -1.71 0.00 0.00 66.02 65.48 1j0g s SER 91 CO 0.00 -0.28 0.00 0.00 1.20 0.00 0.00 173.24 174.16