#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctd s SER 2 N 0.00 -0.79 -0.25 1.61 1.04 -1.26 -5.17 113.70 108.88 2ctd s SER 2 Ca 0.00 1.10 -0.26 0.00 0.48 0.00 0.00 55.95 57.27 2ctd s SER 2 Cb 0.00 1.85 0.11 0.00 0.10 0.00 0.00 66.02 68.07 2ctd s SER 2 CO 0.00 -0.16 0.93 -0.55 0.98 0.00 0.00 173.24 174.44 2ctd s SER 3 N 2.51 -0.53 -0.32 7.02 0.15 -1.26 -5.10 113.70 116.16 2ctd s SER 3 Ca -0.04 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.57 2ctd s SER 3 Cb -0.08 0.95 0.30 0.00 -1.71 0.00 0.00 66.02 65.48 2ctd s SER 3 CO -0.18 -0.22 1.32 0.61 1.20 0.00 0.00 173.24 175.97 2ctd n GLY 4 N 2.10 -1.72 3.54 9.45 0.00 -1.26 -5.12 105.19 112.19 2ctd n GLY 4 Ca -0.13 0.98 -0.65 0.00 0.00 0.00 0.00 46.02 46.22 2ctd n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ctd n SER 5 N 1.09 1.03 -4.89 1.61 2.88 -1.26 -4.90 113.62 109.19 2ctd n SER 5 Ca -0.02 0.99 -0.33 0.00 -1.33 0.00 0.00 58.87 58.19 2ctd n SER 5 Cb 0.73 -0.88 -0.05 0.00 -0.75 0.00 0.00 64.21 63.26 2ctd n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ctd s SER 6 N 4.09 6.54 0.00 -3.46 1.04 -1.26 -5.06 113.70 115.58 2ctd s SER 6 Ca 1.10 0.67 0.00 0.00 0.48 0.00 0.00 55.95 58.19 2ctd s SER 6 Cb -1.49 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 62.51 2ctd s SER 6 CO 0.76 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.67 2ctd n GLY 7 N 0.34 4.33 3.40 7.32 0.00 -1.26 -5.16 105.19 114.17 2ctd n GLY 7 Ca -0.04 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 2ctd n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ctd s ARG 8 N 3.40 1.67 -0.07 1.61 3.03 -1.26 -5.13 118.95 122.19 2ctd s ARG 8 Ca 0.00 -1.21 0.02 0.00 2.03 0.00 0.00 55.73 56.58 2ctd s ARG 8 Cb 0.00 -1.99 0.01 0.00 -1.03 0.00 0.00 34.95 31.94 2ctd s ARG 8 CO 0.00 0.48 -0.12 0.96 -1.13 0.00 0.00 175.30 175.50 2ctd s ILE 9 N -0.98 1.13 -0.11 4.99 -4.36 -1.26 -5.13 121.20 115.47 2ctd s ILE 9 Ca 0.14 -0.47 -0.10 0.00 -0.26 0.00 0.00 60.65 59.96 2ctd s ILE 9 Cb -0.10 -1.04 0.03 0.00 1.25 0.00 0.00 42.46 42.60 2ctd s ILE 9 CO 0.05 0.36 0.30 0.00 0.24 0.00 0.00 174.94 175.89 2ctd s ARG 10 N 0.73 0.35 0.59 0.37 1.70 -1.26 -5.17 118.95 116.27 2ctd s ARG 10 Ca -0.13 0.41 -0.05 0.00 -0.47 0.00 0.00 55.73 55.49 2ctd s ARG 10 Cb -0.16 0.17 0.02 0.00 -0.57 0.00 0.00 34.95 34.41 2ctd s ARG 10 CO 0.03 -0.04 0.89 -1.59 -1.08 0.00 0.00 175.30 173.51 2ctd s LYS 11 N 0.15 2.80 -0.00 3.89 -2.85 -1.26 -5.11 119.74 117.36 2ctd s LYS 11 Ca -0.00 -0.13 -0.16 0.00 -1.00 0.00 0.00 55.97 54.68 2ctd s LYS 11 Cb -0.02 -2.30 0.03 0.00 -2.06 0.00 0.00 37.83 33.48 2ctd s LYS 11 CO 0.00 -0.74 0.34 -1.83 0.10 0.00 0.00 175.35 173.22 2ctd s GLU 12 N -4.97 0.74 0.06 1.78 -1.05 -1.26 -5.14 118.70 108.85 2ctd s GLU 12 Ca 0.54 -0.24 -0.31 0.00 -0.15 0.00 0.00 54.97 54.82 2ctd s GLU 12 Cb -0.10 0.33 -0.07 0.00 -0.44 0.00 0.00 34.13 33.84 2ctd s GLU 12 CO 0.44 -0.22 1.41 -1.25 0.95 0.00 0.00 175.26 176.59 2ctd s PRO 13 N -1.63 4.30 0.85 -4.83 0.04 -1.26 -5.01 135.00 127.46 2ctd s PRO 13 Ca -0.11 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.85 2ctd s PRO 13 Cb -0.04 -3.42 0.10 0.00 0.04 0.00 0.00 34.50 31.18 2ctd s PRO 13 CO 0.03 -0.51 1.09 -1.25 0.04 0.00 0.00 177.00 176.40 2ctd s PRO 14 N 1.80 1.60 0.25 0.56 0.04 -1.26 -4.85 135.00 133.13 2ctd s PRO 14 Ca 0.65 0.94 0.13 0.00 0.04 0.00 0.00 61.00 62.76 2ctd s PRO 14 Cb -0.34 -1.84 0.90 0.00 0.04 0.00 0.00 34.50 33.26 2ctd s PRO 14 CO 0.29 -2.04 1.09 1.55 0.04 0.00 0.00 177.00 177.93 2ctd n VAL 15 N -3.76 -0.29 -1.67 -0.36 3.14 -1.26 -4.39 118.33 109.74 2ctd n VAL 15 Ca 0.08 1.41 -0.39 0.00 -2.96 0.00 0.00 64.34 62.48 2ctd n VAL 15 Cb 0.54 -2.28 0.03 0.00 -1.06 0.00 0.00 33.84 31.08 2ctd n VAL 15 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 2ctd n TYR 16 N -4.60 1.60 -1.27 1.45 4.01 -1.26 -4.89 117.16 112.21 2ctd n TYR 16 Ca 0.25 0.47 -0.37 0.00 -0.16 0.00 0.00 57.90 58.09 2ctd n TYR 16 Cb 0.86 -2.27 0.04 0.00 -0.31 0.00 0.00 39.34 37.66 2ctd n TYR 16 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ctd n ALA 17 N -0.98 -2.39 -0.71 -0.72 0.00 -1.26 -4.77 120.51 109.68 2ctd n ALA 17 Ca 0.10 -0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 2ctd n ALA 17 Cb 0.43 -1.62 -0.07 0.00 0.00 0.00 0.00 19.45 18.19 2ctd n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ctd n ALA 18 N -1.97 4.99 0.00 0.00 0.00 -1.26 -3.87 120.51 118.40 2ctd n ALA 18 Ca 0.08 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2ctd n ALA 18 Cb 0.49 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2ctd n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ctd n GLY 19 N 1.92 -0.12 3.32 0.00 0.00 -1.26 -5.16 105.19 103.88 2ctd n GLY 19 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 2ctd n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctd s SER 20 N 0.00 1.57 0.36 1.61 0.15 -1.25 -5.03 113.70 111.12 2ctd s SER 20 Ca 0.00 -1.27 0.17 0.00 0.70 0.00 0.00 55.95 55.55 2ctd s SER 20 Cb 0.00 0.07 1.10 0.00 -1.71 0.00 0.00 66.02 65.48 2ctd s SER 20 CO 0.00 -0.59 1.69 -0.07 1.20 0.00 0.00 173.24 175.47 2ctd h LEU 21 N 2.46 0.50 -0.49 3.45 3.38 -2.00 0.61 115.31 123.22 2ctd h LEU 21 Ca -0.38 0.15 0.10 0.00 0.09 0.00 0.00 57.88 57.84 2ctd h LEU 21 Cb 1.23 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.97 2ctd h LEU 21 CO 0.64 -0.06 -0.23 -0.33 0.09 0.00 0.00 178.44 178.55 2ctd h GLU 22 N 0.35 -0.11 -0.05 1.13 5.08 -1.95 0.14 114.58 119.17 2ctd h GLU 22 Ca 0.71 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 59.10 2ctd h GLU 22 Cb 1.69 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.94 2ctd h GLU 22 CO -0.50 -0.08 -0.12 1.49 -1.00 0.00 0.00 179.01 178.80 2ctd h GLU 23 N -0.12 -0.17 -0.08 2.33 4.81 -1.14 0.71 114.58 120.92 2ctd h GLU 23 Ca 0.23 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 2ctd h GLU 23 Cb 0.47 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 2ctd h GLU 23 CO -0.56 -0.12 -0.17 1.96 -0.73 0.00 0.00 179.01 179.39 2ctd h GLN 24 N -0.18 -0.23 -0.98 1.92 4.20 -1.20 -1.88 115.11 116.77 2ctd h GLN 24 Ca 0.06 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.83 2ctd h GLN 24 Cb 0.26 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.03 2ctd h GLN 24 CO -0.15 -0.16 0.63 -1.49 -0.67 0.00 0.00 178.83 177.00 2ctd h TRP 25 N -0.24 1.19 -0.25 2.96 6.55 -0.49 -2.46 115.95 123.20 2ctd h TRP 25 Ca 0.08 0.03 0.05 0.00 0.95 0.00 0.00 58.89 60.00 2ctd h TRP 25 Cb 0.35 -0.39 -0.05 0.00 -0.86 0.00 0.00 29.16 28.22 2ctd h TRP 25 CO -0.26 0.65 -0.04 -0.92 -1.05 0.00 0.00 178.44 176.82 2ctd h TYR 26 N 1.20 -0.10 0.14 0.49 3.20 -0.09 -2.79 116.97 119.02 2ctd h TYR 26 Ca 0.40 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.31 2ctd h TYR 26 Cb 0.08 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 2ctd h TYR 26 CO -0.01 -0.09 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.00 2ctd h LEU 27 N 0.02 -1.02 -1.06 2.82 3.38 -0.93 0.26 115.31 118.78 2ctd h LEU 27 Ca 0.12 0.11 0.20 0.00 0.09 0.00 0.00 57.88 58.41 2ctd h LEU 27 Cb 0.18 0.38 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2ctd h LEU 27 CO -0.24 -0.44 1.02 -0.08 0.09 0.00 0.00 178.44 178.78 2ctd h GLU 28 N -0.59 0.00 0.00 1.13 4.81 -1.26 0.48 114.58 119.15 2ctd h GLU 28 Ca 0.02 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 2ctd h GLU 28 Cb 0.62 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 2ctd h GLU 28 CO -0.19 0.00 -1.17 -0.89 -0.73 0.00 0.00 179.01 176.03 2ctd n ILE 29 N -3.17 1.49 0.33 2.32 5.41 -0.08 -2.64 119.36 123.03 2ctd n ILE 29 Ca 0.15 0.02 0.21 0.00 1.00 0.00 0.00 62.75 64.13 2ctd n ILE 29 Cb 1.24 -2.16 1.14 0.00 -0.71 0.00 0.00 39.64 39.16 2ctd n ILE 29 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 2ctd h VAL 30 N -1.00 0.10 0.03 1.39 -1.51 0.74 1.86 116.25 117.85 2ctd h VAL 30 Ca -0.26 0.00 -0.29 0.00 -1.23 0.00 0.00 66.70 64.92 2ctd h VAL 30 Cb 1.07 0.97 -0.04 0.00 -2.13 0.00 0.00 31.29 31.17 2ctd h VAL 30 CO -0.16 0.00 -1.58 -0.67 -1.23 0.00 0.00 177.57 173.93 2ctd n ASP 31 N -3.21 1.93 -0.10 4.19 2.03 0.14 -4.77 116.55 116.77 2ctd n ASP 31 Ca -0.03 0.36 -0.18 0.00 0.52 0.00 0.00 54.79 55.46 2ctd n ASP 31 Cb 0.10 -0.92 -0.06 0.00 -0.72 0.00 0.00 41.12 39.52 2ctd n ASP 31 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ctd n LYS 32 N -4.19 0.49 0.00 -0.67 4.76 -0.99 -5.05 118.16 112.51 2ctd n LYS 32 Ca -0.35 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 2ctd n LYS 32 Cb 0.79 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.64 2ctd n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ctd n GLY 33 N 1.59 0.77 3.49 0.72 0.00 0.63 -4.99 105.19 107.40 2ctd n GLY 33 Ca -0.32 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 2ctd n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctd s SER 34 N 0.00 0.64 0.08 1.61 1.04 -1.25 -4.74 113.70 111.08 2ctd s SER 34 Ca 0.00 -1.36 0.07 0.00 0.48 0.00 0.00 55.95 55.14 2ctd s SER 34 Cb 0.00 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.72 2ctd s SER 34 CO 0.00 -1.24 -0.18 0.54 0.98 0.00 0.00 173.24 173.34 2ctd s VAL 35 N -3.32 1.47 0.14 5.02 0.11 -0.51 -3.33 120.40 119.97 2ctd s VAL 35 Ca 0.29 -1.37 0.02 0.00 -2.93 0.00 0.00 61.98 58.00 2ctd s VAL 35 Cb 0.00 -1.34 -0.04 0.00 -1.53 0.00 0.00 36.38 33.47 2ctd s VAL 35 CO 0.17 -0.06 0.25 -0.55 -3.33 0.00 0.00 175.10 171.58 2ctd s SER 36 N -1.67 6.24 -0.24 3.54 0.15 -1.26 0.48 113.70 120.94 2ctd s SER 36 Ca 0.04 0.15 -0.28 0.00 0.70 0.00 0.00 55.95 56.56 2ctd s SER 36 Cb -0.10 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 2ctd s SER 36 CO 0.03 0.07 2.09 0.00 1.20 0.00 0.00 173.24 176.63 2ctd n PRO 38 N 8.62 0.17 -0.11 0.00 -0.04 -1.26 0.18 135.00 142.56 2ctd n PRO 38 Ca 0.27 0.17 -0.20 0.00 -0.04 0.00 0.00 63.50 63.70 2ctd n PRO 38 Cb 0.45 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.33 2ctd n PRO 38 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2ctd n THR 39 N -1.33 1.51 -0.08 0.52 -1.04 -1.26 -4.74 114.28 107.87 2ctd n THR 39 Ca 0.06 -0.08 -0.08 0.00 -2.04 0.00 0.00 64.05 61.91 2ctd n THR 39 Cb 0.13 -2.09 -0.11 0.00 -1.82 0.00 0.00 70.33 66.43 2ctd n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ctd n GLN 41 N -2.65 -6.83 -0.06 0.00 6.02 0.49 -4.92 117.38 109.43 2ctd n GLN 41 Ca -0.26 0.73 -0.10 0.00 -0.01 0.00 0.00 57.00 57.36 2ctd n GLN 41 Cb 0.96 -5.46 -0.05 0.00 1.02 0.00 0.00 30.24 26.71 2ctd n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ctd n ALA 42 N -4.57 1.89 -2.68 -1.58 0.00 -1.26 -4.88 120.51 107.43 2ctd n ALA 42 Ca -0.03 -0.50 -0.19 0.00 0.00 0.00 0.00 53.44 52.72 2ctd n ALA 42 Cb 0.57 0.26 -0.14 0.00 0.00 0.00 0.00 19.45 20.14 2ctd n ALA 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ctd s VAL 43 N -2.23 0.75 0.48 0.00 -7.23 -1.26 -4.99 120.40 105.92 2ctd s VAL 43 Ca -0.17 -0.48 0.07 0.00 -1.81 0.00 0.00 61.98 59.59 2ctd s VAL 43 Cb 0.05 -0.64 0.01 0.00 0.56 0.00 0.00 36.38 36.36 2ctd s VAL 43 CO 0.26 0.16 0.42 -0.83 -0.31 0.00 0.00 175.10 174.79 2ctd s GLY 44 N -0.36 2.19 0.10 2.32 0.00 -1.26 -2.12 107.32 108.19 2ctd s GLY 44 Ca 0.03 -1.70 0.05 0.00 0.00 0.00 0.00 44.72 43.10 2ctd s GLY 44 CO -0.00 -1.80 -0.13 0.50 0.00 0.00 0.00 173.10 171.67 2ctd s ARG 45 N -4.23 0.93 0.16 2.90 1.81 0.18 -4.94 118.95 115.77 2ctd s ARG 45 Ca 0.44 -1.15 -0.25 0.00 -1.72 0.00 0.00 55.73 53.05 2ctd s ARG 45 Cb -0.03 -0.81 0.03 0.00 -0.45 0.00 0.00 34.95 33.69 2ctd s ARG 45 CO 0.26 0.16 1.58 0.87 -0.68 0.00 0.00 175.30 177.49 2ctd h LYS 46 N 3.74 -0.26 -4.99 3.54 6.56 -1.87 -1.36 116.57 121.93 2ctd h LYS 46 Ca -0.40 0.02 -0.52 0.00 -1.06 0.00 0.00 60.65 58.69 2ctd h LYS 46 Cb 1.19 0.06 -0.13 0.00 -0.57 0.00 0.00 32.23 32.78 2ctd h LYS 46 CO 0.48 -0.17 -0.52 0.95 -2.06 0.00 0.00 179.45 178.13 2ctd s THR 47 N -5.88 0.44 0.19 -0.16 -4.23 -1.26 -4.08 115.64 100.66 2ctd s THR 47 Ca -0.14 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.22 2ctd s THR 47 Cb 0.13 -2.41 0.14 0.00 1.34 0.00 0.00 72.50 71.70 2ctd s THR 47 CO 0.66 0.00 1.66 0.40 -0.54 0.00 0.00 174.62 176.81 2ctd h ILE 48 N 1.93 0.55 -0.72 2.99 2.04 -1.90 -1.86 117.51 120.54 2ctd h ILE 48 Ca -0.33 -0.02 0.12 0.00 1.00 0.00 0.00 64.86 65.63 2ctd h ILE 48 Cb 1.26 0.50 -0.13 0.00 -0.74 0.00 0.00 36.82 37.71 2ctd h ILE 48 CO 0.52 0.01 -0.36 -0.33 0.00 0.00 0.00 178.15 177.99 2ctd h GLU 49 N 0.04 -0.11 -0.92 2.37 5.08 -1.97 0.33 114.58 119.40 2ctd h GLU 49 Ca 0.24 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 2ctd h GLU 49 Cb 0.37 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 2ctd h GLU 49 CO -0.47 -0.07 0.60 0.78 -1.00 0.00 0.00 179.01 178.85 2ctd h GLY 50 N -0.11 1.33 0.73 -3.84 0.00 -1.73 -2.67 103.07 96.78 2ctd h GLY 50 Ca 0.26 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 2ctd h GLY 50 CO -0.78 0.38 -0.28 -2.00 0.00 0.00 0.00 176.54 173.86 2ctd h LEU 51 N 1.14 -0.67 -0.85 3.11 5.85 -0.08 -2.49 115.31 121.34 2ctd h LEU 51 Ca 0.37 -0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.19 2ctd h LEU 51 Cb 0.04 0.17 -0.14 0.00 0.37 0.00 0.00 40.66 41.10 2ctd h LEU 51 CO -0.12 -0.31 -0.38 0.11 -0.34 0.00 0.00 178.44 177.41 2ctd h LYS 52 N -1.07 -0.06 -0.41 1.25 1.57 -0.55 1.12 116.57 118.42 2ctd h LYS 52 Ca -0.08 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2ctd h LYS 52 Cb 0.66 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 2ctd h LYS 52 CO 0.13 -0.04 0.28 -0.22 -0.57 0.00 0.00 179.45 179.03 2ctd h LYS 53 N -0.06 0.34 0.19 3.15 1.63 -1.50 0.48 116.57 120.80 2ctd h LYS 53 Ca 0.30 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.07 2ctd h LYS 53 Cb 0.58 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 2ctd h LYS 53 CO -0.88 0.22 -0.09 1.25 -3.45 0.00 0.00 179.45 176.50 2ctd h HIS 54 N 0.35 -0.24 -0.07 1.91 2.76 0.16 -3.26 115.15 116.76 2ctd h HIS 54 Ca 0.18 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.29 2ctd h HIS 54 Cb 0.26 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 2ctd h HIS 54 CO -0.00 0.17 -0.19 0.00 -1.30 0.00 0.00 177.93 176.61 2ctd h MET 55 N -0.87 0.10 -0.60 5.26 -0.00 -0.15 0.41 114.93 119.09 2ctd h MET 55 Ca -0.03 -0.02 0.12 0.00 -0.00 0.00 0.00 59.70 59.77 2ctd h MET 55 Cb 0.51 -0.01 -0.09 0.00 -0.00 0.00 0.00 31.60 32.01 2ctd h MET 55 CO 0.04 0.30 0.07 0.93 -0.00 0.00 0.00 176.91 178.25 2ctd h GLU 56 N 0.10 0.18 0.03 -0.10 4.39 -0.08 -1.39 114.58 117.71 2ctd h GLU 56 Ca 0.02 -0.01 -0.38 0.00 0.34 0.00 0.00 59.36 59.33 2ctd h GLU 56 Cb 0.40 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.96 2ctd h GLU 56 CO 0.03 0.12 -2.20 0.27 -1.16 0.00 0.00 179.01 176.06 2ctd n ASN 57 N -5.20 1.99 -0.04 1.42 0.23 -1.10 -4.58 115.26 107.99 2ctd n ASN 57 Ca 0.09 0.15 -0.08 0.00 -0.53 0.00 0.00 54.58 54.21 2ctd n ASN 57 Cb 0.34 -0.70 -0.05 0.00 -2.08 0.00 0.00 39.78 37.28 2ctd n ASN 57 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ctd s LYS 59 N -4.40 0.45 0.57 0.00 2.20 -0.53 -5.04 119.74 112.99 2ctd s LYS 59 Ca -0.08 -0.21 0.08 0.00 -0.36 0.00 0.00 55.97 55.39 2ctd s LYS 59 Cb 0.04 0.18 0.08 0.00 -1.51 0.00 0.00 37.83 36.62 2ctd s LYS 59 CO 0.32 -0.20 0.78 -0.65 -0.36 0.00 0.00 175.35 175.24 2ctd s GLN 60 N -2.54 2.31 1.03 4.03 -0.21 -1.26 -4.36 119.66 118.66 2ctd s GLN 60 Ca 0.11 -1.46 -0.19 0.00 0.02 0.00 0.00 55.36 53.84 2ctd s GLN 60 Cb 0.01 -2.61 0.04 0.00 1.00 0.00 0.00 33.01 31.45 2ctd s GLN 60 CO -0.04 -0.85 -0.30 -0.85 -2.12 0.00 0.00 175.29 171.13 2ctd n GLU 61 N -2.27 -1.32 -2.56 2.91 0.28 -1.26 -4.86 120.64 111.56 2ctd n GLU 61 Ca 0.14 -0.38 -0.18 0.00 -0.16 0.00 0.00 57.16 56.57 2ctd n GLU 61 Cb 0.61 -1.43 0.08 0.00 1.43 0.00 0.00 31.44 32.13 2ctd n GLU 61 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2ctd n MET 62 N -0.67 0.36 -4.25 3.44 2.81 -1.26 -5.08 117.12 112.47 2ctd n MET 62 Ca 0.01 -2.60 -0.14 0.00 -1.81 0.00 0.00 57.70 53.16 2ctd n MET 62 Cb 0.55 -0.37 -0.10 0.00 -0.71 0.00 0.00 33.22 32.59 2ctd n MET 62 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2ctd s PHE 63 N -2.39 1.29 -0.28 2.03 0.08 -1.26 -5.15 117.98 112.30 2ctd s PHE 63 Ca 0.56 -1.18 -0.04 0.00 0.12 0.00 0.00 56.93 56.39 2ctd s PHE 63 Cb -0.04 -0.73 0.16 0.00 -0.57 0.00 0.00 43.02 41.85 2ctd s PHE 63 CO 0.36 -0.38 0.55 0.99 -0.10 0.00 0.00 175.22 176.64 2ctd s THR 64 N -3.84 -0.90 0.99 0.64 2.01 -1.26 -4.23 115.64 109.04 2ctd s THR 64 Ca 0.33 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.18 2ctd s THR 64 Cb 0.07 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.65 2ctd s THR 64 CO 0.09 -0.02 0.05 0.00 -0.69 0.00 0.00 174.62 174.06 2ctd n HIS 66 N -3.52 0.00 0.41 0.00 8.25 -1.26 -3.52 115.22 115.58 2ctd n HIS 66 Ca 0.04 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.31 2ctd n HIS 66 Cb 0.56 -0.60 -0.09 0.00 1.12 0.00 0.00 29.99 30.97 2ctd n HIS 66 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2ctd h HIS 67 N 0.00 -1.18 0.00 4.41 3.86 -2.01 -3.38 115.15 116.85 2ctd h HIS 67 Ca -0.34 -0.01 -0.37 0.00 -1.16 0.00 0.00 60.37 58.48 2ctd h HIS 67 Cb 1.63 0.42 -0.06 0.00 1.06 0.00 0.00 27.41 30.46 2ctd h HIS 67 CO 0.01 -0.68 -2.30 0.00 0.86 0.00 0.00 177.93 175.83 2ctd n GLY 69 N 1.91 1.80 3.77 0.00 0.00 -1.23 -5.05 105.19 106.38 2ctd n GLY 69 Ca -0.43 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 2ctd n GLY 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ctd s LYS 70 N -0.44 2.97 -0.27 1.61 2.20 -1.26 -4.68 119.74 119.87 2ctd s LYS 70 Ca 0.00 1.56 -0.02 0.00 -0.36 0.00 0.00 55.97 57.15 2ctd s LYS 70 Cb 0.00 -1.96 0.09 0.00 -1.51 0.00 0.00 37.83 34.45 2ctd s LYS 70 CO 0.00 -1.15 0.07 -0.65 -0.36 0.00 0.00 175.35 173.27 2ctd s GLN 71 N -3.69 0.69 -0.06 4.03 -0.21 -1.26 -1.93 119.66 117.23 2ctd s GLN 71 Ca 0.71 -0.81 0.02 0.00 0.02 0.00 0.00 55.36 55.31 2ctd s GLN 71 Cb -0.24 -1.97 0.01 0.00 1.00 0.00 0.00 33.01 31.81 2ctd s GLN 71 CO 0.35 -0.86 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.03 2ctd s LEU 72 N 1.73 1.66 0.12 2.90 1.43 -1.26 -5.04 118.68 120.23 2ctd s LEU 72 Ca 0.05 -0.29 -0.19 0.00 -1.03 0.00 0.00 54.13 52.68 2ctd s LEU 72 Cb -0.17 -0.80 -0.06 0.00 0.03 0.00 0.00 46.19 45.19 2ctd s LEU 72 CO -0.20 0.04 1.75 0.08 0.23 0.00 0.00 176.35 178.25 2ctd h ARG 73 N 6.88 0.31 -6.26 1.70 0.11 -1.98 -3.40 114.38 111.74 2ctd h ARG 73 Ca -0.31 -0.03 -0.58 0.00 0.10 0.00 0.00 59.98 59.15 2ctd h ARG 73 Cb 1.18 -0.07 -0.08 0.00 1.11 0.00 0.00 29.97 32.11 2ctd h ARG 73 CO 0.48 0.24 0.70 -1.12 0.10 0.00 0.00 179.97 180.37 2ctd s SER 74 N -5.45 6.69 0.22 0.08 0.01 -1.26 -4.87 113.70 109.12 2ctd s SER 74 Ca -0.13 0.57 -0.08 0.00 1.31 0.00 0.00 55.95 57.61 2ctd s SER 74 Cb 0.09 -2.49 0.36 0.00 0.21 0.00 0.00 66.02 64.18 2ctd s SER 74 CO 0.70 -0.97 1.68 0.25 0.41 0.00 0.00 173.24 175.31 2ctd h LEU 75 N 10.37 -0.09 -0.53 2.44 5.85 -2.00 -2.37 115.31 128.98 2ctd h LEU 75 Ca -0.23 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.68 2ctd h LEU 75 Cb 1.07 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 42.24 2ctd h LEU 75 CO 1.03 -0.05 -0.43 0.00 -0.34 0.00 0.00 178.44 178.64 2ctd h ALA 76 N 1.56 -0.54 -0.83 1.25 0.00 -1.95 0.16 119.26 118.90 2ctd h ALA 76 Ca 0.35 0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.50 2ctd h ALA 76 Cb 0.58 1.16 -0.12 0.00 0.00 0.00 0.00 17.79 19.41 2ctd h ALA 76 CO -0.49 -0.80 0.32 0.78 0.00 0.00 0.00 179.25 179.06 2ctd h GLY 77 N -0.15 1.33 0.48 0.00 0.00 -1.84 -2.42 103.07 100.47 2ctd h GLY 77 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 2ctd h GLY 77 CO -0.58 -0.21 -0.23 1.98 0.00 0.00 0.00 176.54 177.50 2ctd h MET 78 N 0.38 -0.62 -0.97 4.80 -1.53 -0.69 -2.16 114.93 114.15 2ctd h MET 78 Ca 0.50 0.04 0.28 0.00 -3.44 0.00 0.00 59.70 57.08 2ctd h MET 78 Cb 0.88 0.14 -0.04 0.00 -0.55 0.00 0.00 31.60 32.04 2ctd h MET 78 CO -0.50 -0.41 1.21 0.87 0.14 0.00 0.00 176.91 178.21 2ctd h LYS 79 N -0.70 0.00 0.22 0.39 1.57 -0.46 1.88 116.57 119.47 2ctd h LYS 79 Ca -0.07 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.37 2ctd h LYS 79 Cb 0.49 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.83 2ctd h LYS 79 CO 0.11 0.00 -1.62 -0.92 -0.57 0.00 0.00 179.45 176.44 2ctd h TYR 80 N 0.00 0.85 -0.84 -1.35 5.03 -1.06 -3.31 116.97 116.30 2ctd h TYR 80 Ca 0.46 -0.62 0.23 0.00 2.58 0.00 0.00 58.73 61.38 2ctd h TYR 80 Cb 2.87 -0.03 -0.04 0.00 1.55 0.00 0.00 36.73 41.08 2ctd h TYR 80 CO 0.00 1.62 0.59 1.12 -1.32 0.00 0.00 178.16 180.18 2ctd h HIS 81 N 0.13 0.10 0.57 -3.82 2.07 0.36 0.11 115.15 114.67 2ctd h HIS 81 Ca -0.30 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.19 2ctd h HIS 81 Cb 2.14 -0.03 0.01 0.00 2.57 0.00 0.00 27.41 32.09 2ctd h HIS 81 CO 0.12 0.03 -0.27 0.28 -3.07 0.00 0.00 177.93 175.01 2ctd h VAL 82 N 0.07 0.03 0.00 6.12 2.07 -1.61 0.21 116.25 123.15 2ctd h VAL 82 Ca 0.41 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2ctd h VAL 82 Cb 1.50 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2ctd h VAL 82 CO -0.04 0.01 -0.01 0.24 0.02 0.00 0.00 177.57 177.78 2ctd h MET 83 N -1.20 0.00 0.00 1.57 2.86 -1.50 0.45 114.93 117.11 2ctd h MET 83 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2ctd h MET 83 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 2ctd h MET 83 CO 0.13 0.01 -0.01 0.00 1.06 0.00 0.00 176.91 178.10 2ctd h ALA 84 N 1.99 0.00 0.22 6.32 0.00 -0.75 -3.33 119.26 123.71 2ctd h ALA 84 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2ctd h ALA 84 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ctd h ALA 84 CO 0.00 0.01 -0.10 -0.91 0.00 0.00 0.00 179.25 178.25 2ctd h ASN 85 N -0.07 -0.25 -0.13 0.00 2.35 -0.60 -3.24 115.58 113.65 2ctd h ASN 85 Ca 0.00 -0.28 -0.14 0.00 -0.55 0.00 0.00 56.30 55.33 2ctd h ASN 85 Cb 0.01 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.40 2ctd h ASN 85 CO 0.00 0.24 -0.06 1.41 -1.65 0.00 0.00 177.43 177.37 2ctd n HIS 86 N -5.00 0.29 -2.38 1.19 8.25 0.16 -4.84 115.22 112.89 2ctd n HIS 86 Ca -0.08 -1.35 -0.37 0.00 -0.26 0.00 0.00 57.72 55.66 2ctd n HIS 86 Cb 0.26 -1.00 -0.04 0.00 1.12 0.00 0.00 29.99 30.34 2ctd n HIS 86 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2ctd s ASN 87 N 1.67 6.00 0.20 0.41 4.22 -1.14 -4.55 114.94 121.75 2ctd s ASN 87 Ca 0.31 -1.04 -0.11 0.00 -2.14 0.00 0.00 52.86 49.88 2ctd s ASN 87 Cb 0.17 -2.56 0.24 0.00 1.28 0.00 0.00 41.25 40.37 2ctd s ASN 87 CO -0.02 -1.96 1.73 -1.28 -2.04 0.00 0.00 177.10 173.54 2ctd h SER 88 N 10.53 0.12 -2.19 3.54 0.87 -1.88 -3.41 113.55 121.13 2ctd h SER 88 Ca 0.10 0.08 -0.59 0.00 -1.23 0.00 0.00 61.79 60.16 2ctd h SER 88 Cb 1.02 0.09 0.04 0.00 -0.44 0.00 0.00 62.40 63.10 2ctd h SER 88 CO 1.34 0.08 1.00 0.18 -0.53 0.00 0.00 176.83 178.90 2ctd n LEU 89 N -5.05 3.42 -4.66 2.23 4.77 -1.26 -4.96 117.00 111.49 2ctd n LEU 89 Ca 0.07 1.01 -0.29 0.00 -0.03 0.00 0.00 56.01 56.78 2ctd n LEU 89 Cb 0.26 -1.42 0.19 0.00 -2.33 0.00 0.00 43.42 40.12 2ctd n LEU 89 CO 0.21 -0.10 0.63 -2.16 -1.33 0.00 0.00 177.39 174.64 2ctd s PRO 90 N 2.76 0.15 0.02 3.23 0.04 -1.26 -5.04 135.00 134.90 2ctd s PRO 90 Ca 0.86 0.43 -0.01 0.00 0.04 0.00 0.00 61.00 62.32 2ctd s PRO 90 Cb -0.65 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 2ctd s PRO 90 CO 0.44 -2.90 -0.03 0.45 0.04 0.00 0.00 177.00 175.00 2ctd n SER 91 N -4.28 0.60 0.00 6.66 2.88 -1.26 -5.14 113.62 113.08 2ctd n SER 91 Ca 0.06 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2ctd n SER 91 Cb 0.58 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 2ctd n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctd n GLY 92 N 3.07 4.10 3.58 0.46 0.00 -1.26 -5.16 105.19 109.97 2ctd n GLY 92 Ca -0.03 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 2ctd n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctd s PRO 93 N -2.04 -1.45 -0.03 1.61 0.04 -1.26 -5.08 135.00 126.78 2ctd s PRO 93 Ca 0.00 -0.14 0.01 0.00 0.04 0.00 0.00 61.00 60.91 2ctd s PRO 93 Cb 0.00 -1.58 0.02 0.00 0.04 0.00 0.00 34.50 32.98 2ctd s PRO 93 CO 0.00 -3.85 -0.05 -1.54 0.04 0.00 0.00 177.00 171.61 2ctd s SER 94 N -3.95 0.84 0.08 6.66 1.04 -1.26 -5.14 113.70 111.96 2ctd s SER 94 Ca 0.72 -0.12 -0.26 0.00 0.48 0.00 0.00 55.95 56.77 2ctd s SER 94 Cb -0.08 -0.34 0.07 0.00 0.10 0.00 0.00 66.02 65.76 2ctd s SER 94 CO 0.56 -0.02 0.62 -0.44 0.98 0.00 0.00 173.24 174.94 2ctd s SER 95 N 0.64 -0.59 0.00 7.02 0.01 -1.26 -5.36 113.70 114.16 2ctd s SER 95 Ca -0.08 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.44 2ctd s SER 95 Cb -0.12 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.68 2ctd s SER 95 CO 0.00 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.44