#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0f s SER 2 N 0.00 5.40 -0.05 1.61 0.01 -1.26 -5.05 113.70 114.36 1j0f s SER 2 Ca 0.00 2.15 0.02 0.00 1.31 0.00 0.00 55.95 59.43 1j0f s SER 2 Cb 0.00 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.67 1j0f s SER 2 CO 0.00 -1.44 -0.09 -0.70 0.41 0.00 0.00 173.24 171.42 1j0f s GLU 3 N -3.57 1.31 7.98 12.44 2.12 -1.26 -5.06 118.70 132.66 1j0f s GLU 3 Ca 0.72 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.76 1j0f s GLU 3 Cb -0.24 -1.15 0.00 0.00 0.26 0.00 0.00 34.13 33.01 1j0f s GLU 3 CO 0.33 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.45 1j0f n GLY 4 N 3.88 3.78 1.15 -1.50 0.00 -1.26 -4.98 105.19 106.26 1j0f n GLY 4 Ca -0.24 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 45.88 1j0f n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0f n ALA 5 N 12.20 -3.03 -3.13 4.61 0.00 -1.26 -4.94 120.51 124.95 1j0f n ALA 5 Ca 0.00 0.74 -0.03 0.00 0.00 0.00 0.00 53.44 54.15 1j0f n ALA 5 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1j0f n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0f n ALA 6 N -3.80 -2.53 -2.78 0.00 0.00 -1.26 -5.03 120.51 105.11 1j0f n ALA 6 Ca -0.07 -0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.19 1j0f n ALA 6 Cb 0.55 -1.59 -0.13 0.00 0.00 0.00 0.00 19.45 18.28 1j0f n ALA 6 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j0f s THR 7 N -3.02 0.66 0.23 0.00 -4.23 -1.26 -5.12 115.64 102.91 1j0f s THR 7 Ca 0.02 -0.85 -0.32 0.00 -1.18 0.00 0.00 61.69 59.36 1j0f s THR 7 Cb -0.00 -0.65 -0.13 0.00 1.34 0.00 0.00 72.50 73.05 1j0f s THR 7 CO 0.76 -0.16 1.45 0.80 -0.54 0.00 0.00 174.62 176.93 1j0f n MET 8 N 1.93 2.08 -3.72 3.99 0.00 -1.26 -4.99 117.12 115.16 1j0f n MET 8 Ca -0.19 0.74 -0.17 0.00 -0.00 0.00 0.00 57.70 58.09 1j0f n MET 8 Cb 0.56 -2.43 -0.16 0.00 0.00 0.00 0.00 33.22 31.18 1j0f n MET 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1j0f s SER 9 N 0.41 0.49 -1.30 6.12 1.04 -1.26 -5.06 113.70 114.14 1j0f s SER 9 Ca 0.70 0.12 -0.10 0.00 0.48 0.00 0.00 55.95 57.15 1j0f s SER 9 Cb -0.65 -0.02 0.15 0.00 0.10 0.00 0.00 66.02 65.60 1j0f s SER 9 CO 0.47 -0.19 1.94 0.61 0.98 0.00 0.00 173.24 177.05 1j0f n GLY 10 N 4.70 4.77 3.78 7.32 0.00 -1.26 -4.68 105.19 119.82 1j0f n GLY 10 Ca -0.17 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.44 1j0f n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j0f s LEU 11 N -0.06 4.14 -0.02 0.99 2.96 -1.22 0.84 118.68 126.31 1j0f s LEU 11 Ca 0.41 2.01 0.01 0.00 -0.22 0.00 0.00 54.13 56.34 1j0f s LEU 11 Cb 0.10 -4.20 0.01 0.00 0.50 0.00 0.00 46.19 42.61 1j0f s LEU 11 CO -0.01 -0.47 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.41 1j0f s ARG 12 N -2.51 0.31 -0.40 1.98 0.52 0.13 -0.39 118.95 118.59 1j0f s ARG 12 Ca 0.58 -0.02 -0.01 0.00 -0.52 0.00 0.00 55.73 55.76 1j0f s ARG 12 Cb -0.21 -0.40 0.11 0.00 0.52 0.00 0.00 34.95 34.97 1j0f s ARG 12 CO 0.27 -0.04 0.18 0.08 0.02 0.00 0.00 175.30 175.80 1j0f s VAL 13 N 0.54 3.04 -0.60 3.52 1.01 0.22 -0.65 120.40 127.47 1j0f s VAL 13 Ca -0.05 -2.20 -0.27 0.00 0.00 0.00 0.00 61.98 59.46 1j0f s VAL 13 Cb -0.08 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1j0f s VAL 13 CO -0.01 -0.68 1.73 -0.31 0.00 0.00 0.00 175.10 175.83 1j0f s TYR 14 N 0.99 1.82 0.21 5.22 1.51 0.75 -1.22 117.35 126.64 1j0f s TYR 14 Ca 0.10 0.63 0.10 0.00 -1.01 0.00 0.00 57.07 56.88 1j0f s TYR 14 Cb -0.22 -4.20 -0.05 0.00 -0.11 0.00 0.00 41.96 37.39 1j0f s TYR 14 CO -0.05 -2.29 -0.18 -1.54 -1.11 0.00 0.00 175.55 170.38 1j0f s SER 15 N 6.98 2.99 -0.10 2.29 1.04 -0.08 -2.00 113.70 124.82 1j0f s SER 15 Ca 0.62 -0.96 -0.01 0.00 0.48 0.00 0.00 55.95 56.08 1j0f s SER 15 Cb -0.13 -0.20 -0.03 0.00 0.10 0.00 0.00 66.02 65.76 1j0f s SER 15 CO 0.21 -0.04 -0.06 0.28 0.98 0.00 0.00 173.24 174.62 1j0f s THR 16 N -2.44 3.79 -0.12 2.02 -1.32 -1.26 -1.42 115.64 114.90 1j0f s THR 16 Ca 0.23 -0.43 -0.21 0.00 -1.21 0.00 0.00 61.69 60.07 1j0f s THR 16 Cb -0.04 -2.59 -0.18 0.00 -1.51 0.00 0.00 72.50 68.18 1j0f s THR 16 CO 0.09 0.57 0.61 -1.28 -2.21 0.00 0.00 174.62 172.40 1j0f h SER 17 N 5.72 -0.02 -3.52 8.08 0.87 -1.94 -3.44 113.55 119.30 1j0f h SER 17 Ca -0.43 -0.66 -0.61 0.00 -1.23 0.00 0.00 61.79 58.87 1j0f h SER 17 Cb 1.18 0.01 -0.12 0.00 -0.44 0.00 0.00 62.40 63.03 1j0f h SER 17 CO 0.56 0.78 -0.14 -0.69 -0.53 0.00 0.00 176.83 176.81 1j0f s VAL 18 N -2.27 5.15 -0.23 2.23 1.01 -1.26 -5.03 120.40 120.00 1j0f s VAL 18 Ca -0.13 0.78 -0.28 0.00 0.00 0.00 0.00 61.98 62.34 1j0f s VAL 18 Cb -0.02 -3.77 0.14 0.00 0.00 0.00 0.00 36.38 32.74 1j0f s VAL 18 CO 0.49 0.20 1.12 0.28 0.00 0.00 0.00 175.10 177.19 1j0f s THR 19 N 1.62 0.00 -0.24 3.92 -1.32 -1.26 -4.97 115.64 113.39 1j0f s THR 19 Ca 0.20 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.51 1j0f s THR 19 Cb -0.15 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.69 1j0f s THR 19 CO 0.09 0.00 -0.09 0.61 -2.21 0.00 0.00 174.62 173.02 1j0f n GLY 20 N 1.23 -0.65 3.58 6.08 0.00 -1.26 -4.92 105.19 109.25 1j0f n GLY 20 Ca -0.09 -0.03 -0.62 0.00 0.00 0.00 0.00 46.02 45.28 1j0f n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j0f n SER 21 N -4.35 1.47 0.00 1.61 2.88 -1.26 -4.76 113.62 109.20 1j0f n SER 21 Ca -0.42 0.95 0.12 0.00 -1.33 0.00 0.00 58.87 58.19 1j0f n SER 21 Cb 0.76 -0.99 0.53 0.00 -0.75 0.00 0.00 64.21 63.77 1j0f n SER 21 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1j0f n ARG 22 N 5.69 0.00 0.08 -1.46 1.85 -1.26 -2.85 116.66 118.71 1j0f n ARG 22 Ca 0.37 0.07 -0.12 0.00 -1.00 0.00 0.00 57.85 57.17 1j0f n ARG 22 Cb 0.02 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 29.80 1j0f n ARG 22 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1j0f h GLU 23 N 0.00 0.15 0.40 2.89 4.39 -2.00 -3.16 114.58 117.25 1j0f h GLU 23 Ca 0.00 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.43 1j0f h GLU 23 Cb 0.43 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1j0f h GLU 23 CO 0.00 1.08 -0.19 0.82 -1.16 0.00 0.00 179.01 179.56 1j0f h ILE 24 N 0.04 0.00 -0.87 3.13 2.04 -1.86 -2.83 117.51 117.16 1j0f h ILE 24 Ca -0.11 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.62 1j0f h ILE 24 Cb 1.90 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.87 1j0f h ILE 24 CO 0.16 0.00 -0.54 0.11 0.00 0.00 0.00 178.15 177.88 1j0f h LYS 25 N -0.76 -0.04 -0.93 2.37 1.57 -1.71 0.41 116.57 117.49 1j0f h LYS 25 Ca -0.06 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.87 1j0f h LYS 25 Cb 0.42 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.59 1j0f h LYS 25 CO 0.09 -0.03 -0.37 0.43 -0.57 0.00 0.00 179.45 179.00 1j0f n SER 26 N -5.10 -0.63 -0.07 0.86 7.64 -1.19 0.14 113.62 115.27 1j0f n SER 26 Ca 0.01 1.62 -0.07 0.00 1.01 0.00 0.00 58.87 61.44 1j0f n SER 26 Cb 0.25 -0.36 -0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1j0f n SER 26 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1j0f h GLN 27 N 0.00 0.14 -0.48 1.43 4.20 -0.03 0.53 115.11 120.90 1j0f h GLN 27 Ca 0.31 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.03 1j0f h GLN 27 Cb 0.54 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1j0f h GLN 27 CO -0.92 0.09 0.29 1.96 -0.67 0.00 0.00 178.83 179.59 1j0f h GLN 28 N 0.14 0.58 -0.37 1.46 4.20 0.30 0.19 115.11 121.60 1j0f h GLN 28 Ca 0.13 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1j0f h GLN 28 Cb 0.15 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1j0f h GLN 28 CO -0.19 0.38 0.18 0.77 -0.67 0.00 0.00 178.83 179.31 1j0f h SER 29 N 0.59 0.48 0.71 1.46 0.02 0.19 -2.11 113.55 114.88 1j0f h SER 29 Ca 0.18 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1j0f h SER 29 Cb -0.02 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1j0f h SER 29 CO -0.07 0.46 -0.37 -0.33 -1.14 0.00 0.00 176.83 175.38 1j0f h GLU 30 N 0.46 -0.95 -0.98 3.45 5.08 0.52 0.32 114.58 122.47 1j0f h GLU 30 Ca 0.13 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.65 1j0f h GLU 30 Cb 0.11 0.22 -0.13 0.00 0.50 0.00 0.00 28.75 29.45 1j0f h GLU 30 CO -0.02 -0.63 -0.53 0.28 -1.00 0.00 0.00 179.01 177.11 1j0f n VAL 31 N -4.76 -0.63 -0.23 3.13 0.31 0.62 0.11 118.33 116.87 1j0f n VAL 31 Ca -0.12 2.35 -0.01 0.00 -0.01 0.00 0.00 64.34 66.55 1j0f n VAL 31 Cb 0.40 -2.95 0.11 0.00 -0.91 0.00 0.00 33.84 30.48 1j0f n VAL 31 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1j0f h THR 32 N 0.00 0.93 0.09 2.52 1.35 -1.28 0.31 112.91 116.83 1j0f h THR 32 Ca 0.20 -0.22 0.02 0.00 -0.55 0.00 0.00 66.41 65.85 1j0f h THR 32 Cb 0.44 0.22 -0.03 0.00 -1.73 0.00 0.00 68.15 67.05 1j0f h THR 32 CO -0.93 0.12 -0.24 -0.09 -0.25 0.00 0.00 175.52 174.13 1j0f h ARG 33 N 0.65 -0.41 -0.16 4.72 2.43 0.47 1.15 114.38 123.22 1j0f h ARG 33 Ca 0.31 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1j0f h ARG 33 Cb 0.24 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1j0f h ARG 33 CO -0.21 -0.28 0.09 0.82 -1.51 0.00 0.00 179.97 178.89 1j0f h ILE 34 N -0.43 1.01 -0.84 1.20 5.03 0.69 0.30 117.51 124.47 1j0f h ILE 34 Ca 0.04 -0.07 0.05 0.00 -0.12 0.00 0.00 64.86 64.76 1j0f h ILE 34 Cb 0.46 0.81 -0.05 0.00 -3.03 0.00 0.00 36.82 35.01 1j0f h ILE 34 CO -0.15 0.03 0.55 -0.07 -0.68 0.00 0.00 178.15 177.83 1j0f h LEU 35 N 0.19 0.86 0.23 1.44 3.38 0.05 0.78 115.31 122.24 1j0f h LEU 35 Ca 0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1j0f h LEU 35 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1j0f h LEU 35 CO -0.03 0.57 -0.11 -0.78 0.09 0.00 0.00 178.44 178.17 1j0f h ASP 36 N 0.98 -0.26 -0.82 -0.43 3.58 0.23 0.18 116.42 119.89 1j0f h ASP 36 Ca 0.35 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1j0f h ASP 36 Cb 0.14 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 1j0f h ASP 36 CO -0.12 0.05 0.53 1.23 -2.88 0.00 0.00 179.24 178.06 1j0f h GLY 37 N -0.59 1.16 2.00 -0.78 0.00 0.20 0.93 103.07 106.00 1j0f h GLY 37 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1j0f h GLY 37 CO 0.05 0.44 0.00 0.28 0.00 0.00 0.00 176.54 177.31 1j0f n LYS 38 N -4.50 0.01 -3.59 4.80 5.02 0.27 -4.88 118.16 115.29 1j0f n LYS 38 Ca 0.08 0.21 -0.20 0.00 -2.02 0.00 0.00 58.31 56.38 1j0f n LYS 38 Cb 0.03 -1.52 0.06 0.00 -0.02 0.00 0.00 35.03 33.58 1j0f n LYS 38 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1j0f n ARG 39 N -1.54 -5.93 -3.48 1.97 5.12 0.32 -4.96 116.66 108.15 1j0f n ARG 39 Ca 0.04 0.73 -0.38 0.00 -1.93 0.00 0.00 57.85 56.31 1j0f n ARG 39 Cb 0.20 -5.55 -0.06 0.00 -1.16 0.00 0.00 32.46 25.89 1j0f n ARG 39 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1j0f s ILE 40 N -3.49 5.07 -0.43 0.55 1.01 0.42 -5.03 121.20 119.30 1j0f s ILE 40 Ca 0.09 0.83 -0.27 0.00 0.00 0.00 0.00 60.65 61.31 1j0f s ILE 40 Cb -0.04 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.73 1j0f s ILE 40 CO 0.77 0.54 1.01 -1.10 0.00 0.00 0.00 174.94 176.16 1j0f s GLN 41 N -0.77 3.72 0.29 2.79 -1.52 -1.26 -4.79 119.66 118.11 1j0f s GLN 41 Ca 0.23 0.48 0.02 0.00 -1.95 0.00 0.00 55.36 54.15 1j0f s GLN 41 Cb -0.16 -3.87 -0.01 0.00 -0.22 0.00 0.00 33.01 28.75 1j0f s GLN 41 CO 0.12 -1.18 0.33 2.48 -0.25 0.00 0.00 175.29 176.80 1j0f n TYR 42 N 7.26 -1.00 -3.83 0.91 0.18 -1.26 -3.44 117.16 115.98 1j0f n TYR 42 Ca 0.09 -2.14 -0.19 0.00 1.88 0.00 0.00 57.90 57.54 1j0f n TYR 42 Cb 0.48 0.36 -0.17 0.00 -0.38 0.00 0.00 39.34 39.64 1j0f n TYR 42 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1j0f s GLN 43 N -2.88 0.25 -0.34 -3.48 0.74 0.47 -4.90 119.66 109.51 1j0f s GLN 43 Ca 0.28 0.16 -0.29 0.00 0.05 0.00 0.00 55.36 55.57 1j0f s GLN 43 Cb 0.00 -0.57 0.00 0.00 1.10 0.00 0.00 33.01 33.55 1j0f s GLN 43 CO 0.20 -0.22 1.40 -1.17 -0.55 0.00 0.00 175.29 174.95 1j0f s LEU 44 N 1.48 3.74 -0.31 3.68 2.96 -1.26 -0.61 118.68 128.35 1j0f s LEU 44 Ca -0.03 1.08 -0.12 0.00 -0.22 0.00 0.00 54.13 54.84 1j0f s LEU 44 Cb -0.13 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1j0f s LEU 44 CO -0.03 -1.28 0.21 -0.69 -1.32 0.00 0.00 176.35 173.24 1j0f s VAL 45 N 5.01 5.18 -0.54 1.68 1.01 -0.35 -4.93 120.40 127.46 1j0f s VAL 45 Ca 0.61 -0.12 -0.25 0.00 0.00 0.00 0.00 61.98 62.22 1j0f s VAL 45 Cb -0.16 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.66 1j0f s VAL 45 CO 0.28 0.09 0.97 -0.62 0.00 0.00 0.00 175.10 175.82 1j0f s ASP 46 N 1.72 6.37 0.10 3.32 -1.08 -1.25 -0.91 116.67 124.94 1j0f s ASP 46 Ca 0.06 -0.24 -0.14 0.00 -0.52 0.00 0.00 52.55 51.71 1j0f s ASP 46 Cb -0.17 -2.45 -0.09 0.00 -1.46 0.00 0.00 42.92 38.75 1j0f s ASP 46 CO 0.10 -1.23 1.40 0.16 0.52 0.00 0.00 175.17 176.12 1j0f h ILE 47 N 6.04 1.30 -0.65 4.11 3.07 -1.54 -3.12 117.51 126.73 1j0f h ILE 47 Ca -0.26 -1.54 0.14 0.00 1.55 0.00 0.00 64.86 64.75 1j0f h ILE 47 Cb 1.07 1.63 -0.11 0.00 -0.27 0.00 0.00 36.82 39.15 1j0f h ILE 47 CO 1.09 0.49 0.03 -1.28 -1.05 0.00 0.00 178.15 177.44 1j0f h SER 48 N 0.47 -0.23 -0.19 2.16 0.87 -1.90 -2.33 113.55 112.40 1j0f h SER 48 Ca 0.03 0.16 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1j0f h SER 48 Cb 0.94 0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 63.13 1j0f h SER 48 CO 0.08 -0.11 -0.14 1.56 -0.53 0.00 0.00 176.83 177.69 1j0f h GLN 49 N 0.14 -0.04 -4.66 2.24 1.08 -1.91 -3.33 115.11 108.62 1j0f h GLN 49 Ca 0.35 0.00 -0.70 0.00 -1.45 0.00 0.00 58.65 56.85 1j0f h GLN 49 Cb 0.57 0.01 -0.24 0.00 -0.05 0.00 0.00 27.48 27.77 1j0f h GLN 49 CO -0.54 -0.03 -0.54 0.34 -0.95 0.00 0.00 178.83 177.12 1j0f s ASP 50 N -3.49 5.61 0.41 1.46 2.15 -0.88 -4.95 116.67 116.99 1j0f s ASP 50 Ca -0.03 -0.87 0.19 0.00 0.43 0.00 0.00 52.55 52.27 1j0f s ASP 50 Cb 0.02 -2.00 1.12 0.00 -0.30 0.00 0.00 42.92 41.77 1j0f s ASP 50 CO 0.15 -0.32 1.79 0.78 -0.17 0.00 0.00 175.17 177.40 1j0f h ASN 51 N 8.38 0.42 -0.32 -0.34 4.21 -1.69 0.10 115.58 126.35 1j0f h ASN 51 Ca -0.27 0.07 0.07 0.00 1.21 0.00 0.00 56.30 57.38 1j0f h ASN 51 Cb 1.11 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 38.23 1j0f h ASN 51 CO 0.64 0.10 -0.33 0.00 -1.29 0.00 0.00 177.43 176.55 1j0f h ALA 52 N 1.61 -0.25 -0.99 -0.83 0.00 -1.92 -0.91 119.26 115.96 1j0f h ALA 52 Ca 0.57 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.69 1j0f h ALA 52 Cb 1.49 0.69 -0.14 0.00 0.00 0.00 0.00 17.79 19.82 1j0f h ALA 52 CO -0.26 -0.75 -0.47 -0.07 0.00 0.00 0.00 179.25 177.69 1j0f h LEU 53 N -0.30 -1.74 -0.95 0.00 3.38 -1.03 1.29 115.31 115.97 1j0f h LEU 53 Ca 0.15 0.32 0.33 0.00 0.09 0.00 0.00 57.88 58.76 1j0f h LEU 53 Cb 0.54 0.84 -0.17 0.00 0.09 0.00 0.00 40.66 41.96 1j0f h LEU 53 CO -0.49 -0.27 0.25 -1.14 0.09 0.00 0.00 178.44 176.89 1j0f n ARG 54 N -5.38 -0.07 -0.02 1.13 0.63 -0.35 0.11 116.66 112.71 1j0f n ARG 54 Ca 0.07 1.37 -0.01 0.00 -0.92 0.00 0.00 57.85 58.35 1j0f n ARG 54 Cb 0.34 -2.30 -0.01 0.00 0.45 0.00 0.00 32.46 30.95 1j0f n ARG 54 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1j0f h ASP 55 N 0.00 -0.06 -0.92 6.15 1.82 0.15 -2.48 116.42 121.08 1j0f h ASP 55 Ca 0.68 0.00 0.30 0.00 -0.39 0.00 0.00 57.03 57.62 1j0f h ASP 55 Cb 1.63 0.02 -0.17 0.00 0.68 0.00 0.00 39.33 41.49 1j0f h ASP 55 CO -0.81 0.38 0.17 -0.62 -1.61 0.00 0.00 179.24 176.75 1j0f n GLU 56 N -4.55 -0.07 -0.06 0.28 -0.58 0.13 0.14 120.64 115.93 1j0f n GLU 56 Ca -0.01 1.35 -0.13 0.00 -0.42 0.00 0.00 57.16 57.95 1j0f n GLU 56 Cb 0.03 -2.22 -0.06 0.00 -0.57 0.00 0.00 31.44 28.61 1j0f n GLU 56 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1j0f h MET 57 N 0.00 0.37 -0.76 3.49 4.05 0.62 0.24 114.93 122.94 1j0f h MET 57 Ca 0.63 -0.18 0.12 0.00 -0.28 0.00 0.00 59.70 60.00 1j0f h MET 57 Cb 1.44 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.19 1j0f h MET 57 CO -0.82 0.71 0.50 0.00 0.23 0.00 0.00 176.91 177.53 1j0f h ARG 58 N 0.04 0.55 0.07 0.39 3.08 0.17 0.26 114.38 118.94 1j0f h ARG 58 Ca 0.03 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j0f h ARG 58 Cb 0.61 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1j0f h ARG 58 CO 0.03 0.36 -0.04 1.15 -1.07 0.00 0.00 179.97 180.41 1j0f h THR 59 N 0.57 0.96 -0.34 2.04 2.02 -0.41 0.42 112.91 118.17 1j0f h THR 59 Ca 0.37 -1.48 0.07 0.00 0.77 0.00 0.00 66.41 66.14 1j0f h THR 59 Cb 0.64 1.73 -0.08 0.00 -1.74 0.00 0.00 68.15 68.69 1j0f h THR 59 CO -0.13 0.29 -0.29 -0.07 0.37 0.00 0.00 175.52 175.69 1j0f h LEU 60 N -0.93 -0.96 0.28 2.58 3.38 -0.48 -1.66 115.31 117.52 1j0f h LEU 60 Ca -0.01 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1j0f h LEU 60 Cb 0.56 0.45 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1j0f h LEU 60 CO 0.02 -0.31 -0.34 0.00 0.09 0.00 0.00 178.44 177.90 1j0f h ALA 61 N 0.79 -0.68 0.00 1.53 0.00 -0.62 -3.47 119.26 116.81 1j0f h ALA 61 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1j0f h ALA 61 Cb 0.51 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1j0f h ALA 61 CO -0.48 -0.93 0.00 0.41 0.00 0.00 0.00 179.25 178.25 1j0f n GLY 62 N -1.44 1.00 3.60 0.00 0.00 -0.63 -5.06 105.19 102.66 1j0f n GLY 62 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 1j0f n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j0f s ASN 63 N -1.73 -0.63 0.21 1.61 2.47 0.14 -5.02 114.94 111.98 1j0f s ASN 63 Ca 0.00 0.96 0.08 0.00 0.42 0.00 0.00 52.86 54.32 1j0f s ASN 63 Cb 0.00 1.39 0.13 0.00 -1.45 0.00 0.00 41.25 41.32 1j0f s ASN 63 CO 0.00 -0.15 1.47 1.55 -3.72 0.00 0.00 177.10 176.26 1j0f h PRO 64 N 6.61 0.05 -1.73 0.43 0.13 -1.98 -3.21 132.00 132.31 1j0f h PRO 64 Ca -0.25 -0.05 -0.74 0.00 -0.87 0.00 0.00 66.00 64.09 1j0f h PRO 64 Cb 1.18 0.01 -0.28 0.00 0.13 0.00 0.00 31.00 32.04 1j0f h PRO 64 CO 0.16 0.80 0.92 1.63 -0.23 0.00 0.00 178.00 181.28 1j0f n LYS 65 N -3.66 2.78 -2.86 0.86 4.76 -1.26 -4.95 118.16 113.82 1j0f n LYS 65 Ca -0.01 -3.52 -0.19 0.00 -2.87 0.00 0.00 58.31 51.72 1j0f n LYS 65 Cb 0.74 -2.27 0.02 0.00 -1.84 0.00 0.00 35.03 31.68 1j0f n LYS 65 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j0f s ALA 66 N -3.99 4.29 0.13 7.82 0.00 -1.21 -5.13 121.76 123.66 1j0f s ALA 66 Ca 0.55 -1.56 -0.16 0.00 0.00 0.00 0.00 51.96 50.80 1j0f s ALA 66 Cb 0.45 -1.80 0.03 0.00 0.00 0.00 0.00 23.12 21.81 1j0f s ALA 66 CO -0.31 -0.49 0.39 0.95 0.00 0.00 0.00 175.76 176.31 1j0f s THR 67 N -2.53 0.07 0.85 0.00 -4.23 -1.26 -5.00 115.64 103.55 1j0f s THR 67 Ca 0.56 -0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 60.32 1j0f s THR 67 Cb -0.10 -1.21 0.10 0.00 1.34 0.00 0.00 72.50 72.64 1j0f s THR 67 CO 0.35 -0.32 1.12 -2.16 -0.54 0.00 0.00 174.62 173.07 1j0f s PRO 68 N -3.81 1.61 0.99 3.99 0.04 -1.26 -4.67 135.00 131.88 1j0f s PRO 68 Ca 0.04 0.46 -0.17 0.00 0.04 0.00 0.00 61.00 61.37 1j0f s PRO 68 Cb 0.02 -1.88 0.24 0.00 0.04 0.00 0.00 34.50 32.92 1j0f s PRO 68 CO -0.11 -1.91 1.09 -0.35 0.04 0.00 0.00 177.00 175.75 1j0f n PRO 69 N -3.60 -2.03 -3.39 0.56 -0.04 -1.26 -4.86 135.00 120.37 1j0f n PRO 69 Ca 0.07 -1.70 -0.02 0.00 -0.04 0.00 0.00 63.50 61.80 1j0f n PRO 69 Cb 0.58 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.65 1j0f n PRO 69 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1j0f s GLN 70 N -5.41 0.48 0.02 0.54 2.00 -0.85 -3.99 119.66 112.45 1j0f s GLN 70 Ca 0.65 1.01 -0.21 0.00 -2.00 0.00 0.00 55.36 54.81 1j0f s GLN 70 Cb -0.04 0.36 -0.06 0.00 0.80 0.00 0.00 33.01 34.08 1j0f s GLN 70 CO 0.48 -0.47 0.62 0.42 -0.50 0.00 0.00 175.29 175.84 1j0f s ILE 71 N 2.76 4.84 -0.02 -2.34 1.09 -0.90 -0.18 121.20 126.46 1j0f s ILE 71 Ca 0.10 1.32 -0.01 0.00 -1.10 0.00 0.00 60.65 60.95 1j0f s ILE 71 Cb -0.14 -3.96 0.01 0.00 -1.06 0.00 0.00 42.46 37.31 1j0f s ILE 71 CO -0.18 0.43 0.04 -0.69 -0.10 0.00 0.00 174.94 174.44 1j0f s VAL 72 N -0.33 -0.01 -0.41 2.92 1.01 0.17 -2.43 120.40 121.33 1j0f s VAL 72 Ca 0.32 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 1j0f s VAL 72 Cb -0.19 -0.07 0.08 0.00 0.00 0.00 0.00 36.38 36.19 1j0f s VAL 72 CO 0.19 0.02 0.23 0.20 0.00 0.00 0.00 175.10 175.74 1j0f s ASN 73 N 0.27 5.55 0.37 3.32 -0.87 0.77 0.22 114.94 124.58 1j0f s ASN 73 Ca -0.02 -1.52 0.00 0.00 -1.57 0.00 0.00 52.86 49.75 1j0f s ASN 73 Cb -0.03 -1.95 0.00 0.00 -0.02 0.00 0.00 41.25 39.25 1j0f s ASN 73 CO -0.01 -0.51 0.00 0.61 -2.57 0.00 0.00 177.10 174.62 1j0f n GLY 74 N 4.87 0.33 0.00 0.66 0.00 0.25 0.19 105.19 111.49 1j0f n GLY 74 Ca -0.10 0.62 0.03 0.00 0.00 0.00 0.00 46.02 46.57 1j0f n GLY 74 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j0f n ASN 75 N 4.58 0.50 -4.87 1.61 6.94 -1.26 -4.98 115.26 117.78 1j0f n ASN 75 Ca 0.00 -0.59 -0.31 0.00 -0.02 0.00 0.00 54.58 53.66 1j0f n ASN 75 Cb 0.00 1.02 -0.04 0.00 -2.36 0.00 0.00 39.78 38.39 1j0f n ASN 75 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1j0f s HIS 76 N -1.60 3.43 -0.19 -2.53 3.76 0.51 -5.07 115.29 113.61 1j0f s HIS 76 Ca 0.02 1.06 -0.05 0.00 -0.15 0.00 0.00 55.06 55.94 1j0f s HIS 76 Cb 0.04 -2.44 -0.03 0.00 1.11 0.00 0.00 32.58 31.27 1j0f s HIS 76 CO 0.24 0.01 0.00 -0.47 -0.85 0.00 0.00 174.74 173.67 1j0f s TYR 77 N -2.17 3.06 -0.04 1.40 5.04 -1.26 -0.16 117.35 123.21 1j0f s TYR 77 Ca 0.51 -0.37 -0.01 0.00 -2.44 0.00 0.00 57.07 54.76 1j0f s TYR 77 Cb -0.10 -2.06 -0.00 0.00 0.35 0.00 0.00 41.96 40.14 1j0f s TYR 77 CO 0.26 -0.16 -0.02 0.00 -1.34 0.00 0.00 175.55 174.28 1j0f n GLY 79 N 1.84 -0.55 3.63 0.00 0.00 -1.12 -5.00 105.19 103.99 1j0f n GLY 79 Ca -0.01 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 1j0f n GLY 79 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j0f s ASP 80 N -4.00 3.45 0.36 1.61 -4.77 -1.26 -2.11 116.67 109.95 1j0f s ASP 80 Ca 0.00 -1.60 0.18 0.00 -3.30 0.00 0.00 52.55 47.83 1j0f s ASP 80 Cb 0.00 0.35 1.17 0.00 -1.09 0.00 0.00 42.92 43.35 1j0f s ASP 80 CO 0.00 -0.81 1.65 0.22 0.70 0.00 0.00 175.17 176.94 1j0f h TYR 81 N 1.63 0.84 0.17 2.11 5.03 -1.92 0.35 116.97 125.18 1j0f h TYR 81 Ca -0.41 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 60.93 1j0f h TYR 81 Cb 1.28 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 39.34 1j0f h TYR 81 CO 1.33 -0.20 -0.13 0.93 -1.32 0.00 0.00 178.16 178.77 1j0f h GLU 82 N 0.26 -0.27 -0.84 1.82 5.08 -1.95 0.33 114.58 119.00 1j0f h GLU 82 Ca 0.75 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 59.33 1j0f h GLU 82 Cb 1.87 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 31.06 1j0f h GLU 82 CO -0.57 -0.18 0.30 -0.07 -1.00 0.00 0.00 179.01 177.48 1j0f h LEU 83 N -0.28 0.18 0.17 1.33 4.07 -1.60 0.84 115.31 120.02 1j0f h LEU 83 Ca -0.02 0.16 0.01 0.00 0.08 0.00 0.00 57.88 58.11 1j0f h LEU 83 Cb 0.24 0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 1j0f h LEU 83 CO 0.01 -0.03 -0.29 0.15 -1.08 0.00 0.00 178.44 177.20 1j0f h PHE 84 N 0.33 -0.77 -0.63 1.13 3.57 -0.64 0.34 116.94 120.28 1j0f h PHE 84 Ca 0.51 0.01 0.09 0.00 3.53 0.00 0.00 57.97 62.11 1j0f h PHE 84 Cb 0.95 0.32 -0.07 0.00 2.79 0.00 0.00 35.95 39.93 1j0f h PHE 84 CO -0.20 -0.40 0.26 -0.24 -2.23 0.00 0.00 178.31 175.51 1j0f h VAL 85 N -0.53 0.80 -0.18 1.41 3.04 0.16 0.92 116.25 121.87 1j0f h VAL 85 Ca 0.02 -0.16 0.05 0.00 -1.01 0.00 0.00 66.70 65.60 1j0f h VAL 85 Cb 0.54 0.30 -0.05 0.00 -2.01 0.00 0.00 31.29 30.07 1j0f h VAL 85 CO -0.13 0.08 -0.14 -0.33 -1.01 0.00 0.00 177.57 176.04 1j0f h GLU 86 N 0.46 -0.15 0.38 4.17 5.08 -0.26 0.13 114.58 124.40 1j0f h GLU 86 Ca 0.31 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1j0f h GLU 86 Cb 0.36 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1j0f h GLU 86 CO -0.29 -0.10 -0.18 0.00 -1.00 0.00 0.00 179.01 177.44 1j0f h ALA 87 N 0.96 -0.52 -0.95 3.43 0.00 0.08 0.24 119.26 122.50 1j0f h ALA 87 Ca 0.11 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.03 1j0f h ALA 87 Cb 0.32 0.20 -0.18 0.00 0.00 0.00 0.00 17.79 18.13 1j0f h ALA 87 CO -0.27 -0.66 -0.24 0.28 0.00 0.00 0.00 179.25 178.36 1j0f h VAL 88 N -0.78 0.05 -0.31 0.00 2.07 0.11 1.63 116.25 119.02 1j0f h VAL 88 Ca -0.05 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 1j0f h VAL 88 Cb 0.53 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1j0f h VAL 88 CO 0.09 0.00 -0.19 -0.33 0.02 0.00 0.00 177.57 177.16 1j0f h GLU 89 N -0.00 0.68 0.00 1.57 5.08 -0.62 -2.36 114.58 118.92 1j0f h GLU 89 Ca 0.46 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1j0f h GLU 89 Cb 0.70 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1j0f h GLU 89 CO -0.98 0.91 0.00 1.04 -1.00 0.00 0.00 179.01 178.98 1j0f n GLN 90 N -4.34 0.02 -1.16 2.33 6.02 0.26 -4.80 117.38 115.71 1j0f n GLN 90 Ca -0.03 0.35 -0.05 0.00 -0.01 0.00 0.00 57.00 57.25 1j0f n GLN 90 Cb 0.41 -1.55 -0.02 0.00 1.02 0.00 0.00 30.24 30.10 1j0f n GLN 90 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1j0f n ASP 91 N -1.59 -4.80 -1.91 1.08 2.03 0.49 -4.85 116.55 107.00 1j0f n ASP 91 Ca 0.02 0.13 -0.22 0.00 0.52 0.00 0.00 54.79 55.25 1j0f n ASP 91 Cb 0.12 -2.78 0.12 0.00 -0.72 0.00 0.00 41.12 37.86 1j0f n ASP 91 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1j0f n THR 92 N -2.46 3.02 -0.17 5.18 -2.24 -0.79 -4.62 114.28 112.20 1j0f n THR 92 Ca -0.05 -2.98 -0.03 0.00 -2.27 0.00 0.00 64.05 58.72 1j0f n THR 92 Cb 0.37 -0.79 0.18 0.00 -2.10 0.00 0.00 70.33 67.99 1j0f n THR 92 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1j0f h LEU 93 N 1.57 0.84 -2.07 3.22 5.85 -1.88 -0.81 115.31 122.03 1j0f h LEU 93 Ca 0.45 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1j0f h LEU 93 Cb 1.58 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 1j0f h LEU 93 CO 0.99 0.78 -0.03 1.56 -0.34 0.00 0.00 178.44 181.40 1j0f h GLN 94 N 0.88 0.00 0.00 1.25 4.20 -1.93 -1.99 115.11 117.53 1j0f h GLN 94 Ca 0.20 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1j0f h GLN 94 Cb 0.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1j0f h GLN 94 CO -0.01 0.03 -0.03 0.93 -0.67 0.00 0.00 178.83 179.07 1j0f h GLU 95 N 0.00 0.00 -0.81 1.46 5.08 -1.59 -1.08 114.58 117.65 1j0f h GLU 95 Ca -0.00 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.55 1j0f h GLU 95 Cb 0.05 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.16 1j0f h GLU 95 CO 0.00 0.69 0.04 0.35 -1.00 0.00 0.00 179.01 179.09 1j0f h PHE 96 N -1.00 0.00 -1.87 4.33 3.57 -0.92 -3.41 116.94 117.64 1j0f h PHE 96 Ca -0.01 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1j0f h PHE 96 Cb 0.70 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1j0f h PHE 96 CO 0.19 -0.26 0.00 1.28 -2.23 0.00 0.00 178.31 177.29 1j0f n LEU 97 N -5.35 0.00 -2.73 0.59 4.77 -0.77 -4.73 117.00 108.79 1j0f n LEU 97 Ca 0.16 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.78 1j0f n LEU 97 Cb 0.53 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.66 1j0f n LEU 97 CO 0.03 -0.56 1.14 1.17 -1.33 0.00 0.00 177.39 177.84 1j0f n LYS 98 N -1.04 2.95 -0.10 3.23 3.00 -1.26 -4.49 118.16 120.46 1j0f n LYS 98 Ca 0.00 -3.78 -0.20 0.00 -0.00 0.00 0.00 58.31 54.33 1j0f n LYS 98 Cb 0.00 -2.27 -0.08 0.00 0.00 0.00 0.00 35.03 32.69 1j0f n LYS 98 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1j0f n LEU 99 N -0.56 1.86 0.00 3.14 4.77 -1.22 -5.08 117.00 119.91 1j0f n LEU 99 Ca 0.50 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1j0f n LEU 99 Cb 0.40 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1j0f n LEU 99 CO 0.48 0.53 0.18 0.00 -1.33 0.00 0.00 177.39 177.26