#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 -0.24 0.26 1.61 0.15 -1.26 -5.19 113.70 109.04 2ctd s SER 2 Ca 0.00 0.34 -0.22 0.00 0.70 0.00 0.00 55.95 56.78 2ctd s SER 2 Cb 0.00 0.30 0.03 0.00 -1.71 0.00 0.00 66.02 64.64 2ctd s SER 2 CO 0.00 -0.16 0.75 -0.94 1.20 0.00 0.00 173.24 174.09 2ctd s SER 3 N -0.62 -0.25 0.10 5.45 1.04 -1.26 -5.19 113.70 112.97 2ctd s SER 3 Ca 0.04 -0.58 -0.27 0.00 0.48 0.00 0.00 55.95 55.62 2ctd s SER 3 Cb -0.02 0.70 0.08 0.00 0.10 0.00 0.00 66.02 66.88 2ctd s SER 3 CO -0.06 -1.29 1.08 -0.83 0.98 0.00 0.00 173.24 173.12 2ctd s GLY 4 N -2.92 -0.28 -0.08 7.32 0.00 -1.26 -5.19 107.32 104.91 2ctd s GLY 4 Ca 0.11 0.29 -0.31 0.00 0.00 0.00 0.00 44.72 44.81 2ctd s GLY 4 CO 0.06 0.20 1.02 -0.45 0.00 0.00 0.00 173.10 173.93 2ctd s SER 5 N -2.99 -0.27 0.00 1.64 0.15 -1.26 -5.19 113.70 105.78 2ctd s SER 5 Ca 0.13 0.01 -0.30 0.00 0.70 0.00 0.00 55.95 56.50 2ctd s SER 5 Cb 0.01 0.29 0.11 0.00 -1.71 0.00 0.00 66.02 64.71 2ctd s SER 5 CO 0.00 -0.46 1.21 -0.94 1.20 0.00 0.00 173.24 174.26 2ctd s SER 6 N -2.31 -0.09 0.00 5.45 1.04 -1.26 -5.18 113.70 111.35 2ctd s SER 6 Ca 0.06 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2ctd s SER 6 Cb -0.01 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2ctd s SER 6 CO -0.07 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2ctd n GLY 7 N -0.45 3.53 3.01 7.32 0.00 -1.26 -5.13 105.19 112.21 2ctd n GLY 7 Ca -0.08 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 2ctd n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctd s ARG 8 N -1.78 2.05 -0.03 1.61 0.52 -1.26 -5.11 118.95 114.96 2ctd s ARG 8 Ca 0.00 -0.99 -0.30 0.00 -0.52 0.00 0.00 55.73 53.92 2ctd s ARG 8 Cb 0.00 -2.57 -0.03 0.00 0.52 0.00 0.00 34.95 32.87 2ctd s ARG 8 CO 0.00 -0.48 0.97 -1.50 0.02 0.00 0.00 175.30 174.31 2ctd s ILE 9 N 1.32 4.86 -0.19 1.52 2.07 -1.26 -5.03 121.20 124.49 2ctd s ILE 9 Ca -0.04 2.02 -0.04 0.00 -1.41 0.00 0.00 60.65 61.18 2ctd s ILE 9 Cb -0.17 -4.30 0.10 0.00 0.13 0.00 0.00 42.46 38.21 2ctd s ILE 9 CO -0.07 0.13 0.32 -0.13 -1.91 0.00 0.00 174.94 173.27 2ctd s ARG 10 N 1.24 0.25 -0.30 3.50 1.81 -1.26 -5.12 118.95 119.07 2ctd s ARG 10 Ca 0.50 0.62 -0.01 0.00 -1.72 0.00 0.00 55.73 55.12 2ctd s ARG 10 Cb -0.20 -0.36 0.19 0.00 -0.45 0.00 0.00 34.95 34.13 2ctd s ARG 10 CO 0.25 -0.47 0.65 0.21 -0.68 0.00 0.00 175.30 175.26 2ctd s LYS 11 N 2.47 0.53 0.08 3.54 2.20 -1.26 -5.17 119.74 122.13 2ctd s LYS 11 Ca 0.05 0.88 0.04 0.00 -0.36 0.00 0.00 55.97 56.58 2ctd s LYS 11 Cb -0.14 0.48 -0.03 0.00 -1.51 0.00 0.00 37.83 36.63 2ctd s LYS 11 CO -0.12 -0.63 -0.10 -1.21 -0.36 0.00 0.00 175.35 172.92 2ctd s GLU 12 N 2.87 0.76 0.39 4.03 0.41 -1.26 -5.14 118.70 120.75 2ctd s GLU 12 Ca 0.18 -1.02 -0.26 0.00 -0.41 0.00 0.00 54.97 53.46 2ctd s GLU 12 Cb -0.14 -0.53 -0.09 0.00 -1.78 0.00 0.00 34.13 31.60 2ctd s GLU 12 CO -0.21 0.09 1.20 -1.25 -0.49 0.00 0.00 175.26 174.60 2ctd s PRO 13 N -2.29 4.11 0.57 0.39 0.04 -1.26 -5.04 135.00 131.52 2ctd s PRO 13 Ca 0.00 1.92 -0.10 0.00 0.04 0.00 0.00 61.00 62.86 2ctd s PRO 13 Cb -0.06 -2.76 0.14 0.00 0.04 0.00 0.00 34.50 31.86 2ctd s PRO 13 CO 0.00 -0.29 0.51 -0.35 0.04 0.00 0.00 177.00 176.91 2ctd n PRO 14 N 0.23 -2.00 0.10 0.56 -0.04 -1.26 -4.92 135.00 127.68 2ctd n PRO 14 Ca 0.03 -0.81 0.03 0.00 -0.04 0.00 0.00 63.50 62.72 2ctd n PRO 14 Cb 0.45 -0.75 0.42 0.00 -0.04 0.00 0.00 33.50 33.58 2ctd n PRO 14 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2ctd h VAL 15 N -2.07 1.14 -3.91 0.52 3.04 -2.06 -3.43 116.25 109.48 2ctd h VAL 15 Ca -0.19 -0.54 -0.53 0.00 -1.01 0.00 0.00 66.70 64.43 2ctd h VAL 15 Cb 0.58 1.00 0.09 0.00 -2.01 0.00 0.00 31.29 30.95 2ctd h VAL 15 CO 0.12 0.18 0.71 -0.31 -1.01 0.00 0.00 177.57 177.26 2ctd s TYR 16 N -4.96 2.82 0.89 3.17 2.02 -1.26 -5.01 117.35 115.02 2ctd s TYR 16 Ca -0.06 1.29 -0.13 0.00 -0.37 0.00 0.00 57.07 57.80 2ctd s TYR 16 Cb 0.16 -3.85 0.13 0.00 -0.40 0.00 0.00 41.96 38.00 2ctd s TYR 16 CO 0.73 -2.42 1.20 0.00 -1.57 0.00 0.00 175.55 173.48 2ctd s ALA 17 N -1.13 2.23 -1.18 3.71 0.00 -1.26 -4.98 121.76 119.15 2ctd s ALA 17 Ca 0.51 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 2ctd s ALA 17 Cb -0.43 -2.93 0.22 0.00 0.00 0.00 0.00 23.12 19.97 2ctd s ALA 17 CO 0.58 -2.10 1.40 0.00 0.00 0.00 0.00 175.76 175.63 2ctd n ALA 18 N -3.61 4.31 0.00 0.00 0.00 -1.26 -4.23 120.51 115.73 2ctd n ALA 18 Ca 0.10 -4.44 0.00 0.00 0.00 0.00 0.00 53.44 49.09 2ctd n ALA 18 Cb 0.60 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.26 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 3.20 0.92 3.54 0.00 0.00 -1.26 -5.16 105.19 106.44 2ctd n GLY 19 Ca 0.32 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.08 2ctd n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctd s SER 20 N -0.97 2.96 0.11 1.61 0.01 -1.26 -5.06 113.70 111.09 2ctd s SER 20 Ca 0.00 -1.66 -0.15 0.00 1.31 0.00 0.00 55.95 55.45 2ctd s SER 20 Cb 0.00 0.48 -0.05 0.00 0.21 0.00 0.00 66.02 66.66 2ctd s SER 20 CO 0.00 -0.91 1.50 -0.07 0.41 0.00 0.00 173.24 174.17 2ctd h LEU 21 N 1.74 0.72 -0.85 2.44 3.38 -2.00 -3.21 115.31 117.53 2ctd h LEU 21 Ca -0.37 -0.39 0.11 0.00 0.09 0.00 0.00 57.88 57.33 2ctd h LEU 21 Cb 1.28 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.70 2ctd h LEU 21 CO 0.59 0.94 -0.45 -0.33 0.09 0.00 0.00 178.44 179.28 2ctd h GLU 22 N 0.49 -0.08 -0.12 1.13 5.08 -1.97 0.54 114.58 119.64 2ctd h GLU 22 Ca 0.08 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2ctd h GLU 22 Cb 0.65 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 2ctd h GLU 22 CO 0.04 -0.05 -0.21 1.49 -1.00 0.00 0.00 179.01 179.29 2ctd h GLU 23 N -0.08 -0.25 -0.06 2.33 4.81 -1.85 -1.10 114.58 118.37 2ctd h GLU 23 Ca 0.24 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.50 2ctd h GLU 23 Cb 0.54 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2ctd h GLU 23 CO -0.87 -0.17 -0.16 1.96 -0.73 0.00 0.00 179.01 179.04 2ctd h GLN 24 N -0.26 -0.15 -0.60 1.92 4.20 -0.95 -2.19 115.11 117.08 2ctd h GLN 24 Ca 0.10 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.93 2ctd h GLN 24 Cb 0.41 0.03 -0.12 0.00 0.30 0.00 0.00 27.48 28.10 2ctd h GLN 24 CO -0.28 -0.10 -0.30 -1.49 -0.67 0.00 0.00 178.83 176.00 2ctd h TRP 25 N -0.15 -0.79 -0.96 2.96 6.55 -1.12 0.26 115.95 122.70 2ctd h TRP 25 Ca 0.01 0.07 0.24 0.00 0.95 0.00 0.00 58.89 60.16 2ctd h TRP 25 Cb 0.19 0.44 -0.18 0.00 -0.86 0.00 0.00 29.16 28.75 2ctd h TRP 25 CO -0.53 -0.36 -0.05 -0.92 -1.05 0.00 0.00 178.44 175.53 2ctd h TYR 26 N -0.13 -0.19 0.26 0.49 3.20 -0.66 0.18 116.97 120.13 2ctd h TYR 26 Ca 0.25 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 62.19 2ctd h TYR 26 Cb 0.54 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 2ctd h TYR 26 CO -0.61 -0.41 -0.23 -0.07 -1.64 0.00 0.00 178.16 175.20 2ctd h LEU 27 N 0.02 -0.61 -1.35 2.82 3.38 -0.35 -0.11 115.31 119.11 2ctd h LEU 27 Ca 0.54 0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.74 2ctd h LEU 27 Cb 1.02 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2ctd h LEU 27 CO -0.92 -0.35 0.85 -0.08 0.09 0.00 0.00 178.44 178.04 2ctd h GLU 28 N -0.52 0.00 0.00 1.13 4.57 -0.44 0.44 114.58 119.76 2ctd h GLU 28 Ca -0.01 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.99 2ctd h GLU 28 Cb 0.47 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 2ctd h GLU 28 CO -0.03 0.00 -1.13 -0.89 -1.18 0.00 0.00 179.01 175.77 2ctd n ILE 29 N -3.29 1.50 0.21 2.32 5.41 -0.48 -2.07 119.36 122.96 2ctd n ILE 29 Ca 0.13 0.02 0.10 0.00 1.00 0.00 0.00 62.75 64.00 2ctd n ILE 29 Cb 1.06 -2.13 0.48 0.00 -0.71 0.00 0.00 39.64 38.34 2ctd n ILE 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2ctd n VAL 30 N -4.47 1.11 -0.12 1.39 0.24 -0.09 0.23 118.33 116.62 2ctd n VAL 30 Ca -0.27 0.57 -0.19 0.00 -2.04 0.00 0.00 64.34 62.42 2ctd n VAL 30 Cb 0.58 -1.55 -0.10 0.00 -1.47 0.00 0.00 33.84 31.30 2ctd n VAL 30 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2ctd n ASP 31 N -2.13 2.08 -0.08 -1.34 -0.08 0.13 -4.81 116.55 110.32 2ctd n ASP 31 Ca -0.00 -0.03 -0.17 0.00 -1.51 0.00 0.00 54.79 53.08 2ctd n ASP 31 Cb 0.08 -0.45 -0.06 0.00 2.34 0.00 0.00 41.12 43.02 2ctd n ASP 31 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ctd n LYS 32 N -3.40 0.37 0.00 -0.67 4.76 -0.88 -5.05 118.16 113.29 2ctd n LYS 32 Ca -0.44 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.15 2ctd n LYS 32 Cb 0.92 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.96 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 2.10 1.13 3.69 0.72 0.00 0.64 -4.98 105.19 108.49 2ctd n GLY 33 Ca -0.32 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.28 -0.06 0.01 1.61 1.04 -1.24 -4.78 113.70 109.99 2ctd s SER 34 Ca 0.00 -0.89 0.08 0.00 0.48 0.00 0.00 55.95 55.62 2ctd s SER 34 Cb 0.00 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 2ctd s SER 34 CO 0.00 -1.27 -0.24 0.54 0.98 0.00 0.00 173.24 173.24 2ctd s VAL 35 N -3.75 1.95 0.41 5.02 0.11 -0.74 -3.59 120.40 119.81 2ctd s VAL 35 Ca 0.19 -1.18 0.03 0.00 -2.93 0.00 0.00 61.98 58.09 2ctd s VAL 35 Cb -0.03 -1.64 -0.00 0.00 -1.53 0.00 0.00 36.38 33.18 2ctd s VAL 35 CO 0.09 0.43 0.60 -0.55 -3.33 0.00 0.00 175.10 172.34 2ctd s SER 36 N -0.89 5.86 -0.33 3.54 0.15 -1.26 -0.30 113.70 120.48 2ctd s SER 36 Ca 0.10 0.09 -0.29 0.00 0.70 0.00 0.00 55.95 56.55 2ctd s SER 36 Cb -0.09 -1.38 -0.00 0.00 -1.71 0.00 0.00 66.02 62.83 2ctd s SER 36 CO 0.00 -0.62 1.48 0.00 1.20 0.00 0.00 173.24 175.30 2ctd n PRO 38 N 7.82 0.40 -0.07 0.00 -0.04 -1.26 0.90 135.00 142.75 2ctd n PRO 38 Ca 0.17 0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.59 2ctd n PRO 38 Cb 0.47 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.09 1.44 -0.07 0.52 -1.04 -1.26 -4.78 114.28 108.00 2ctd n THR 39 Ca 0.10 0.13 -0.10 0.00 -2.04 0.00 0.00 64.05 62.15 2ctd n THR 39 Cb 0.07 -2.19 -0.15 0.00 -1.82 0.00 0.00 70.33 66.24 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 -2.89 -7.10 -0.01 0.00 6.02 0.26 -4.91 117.38 108.75 2ctd n GLN 41 Ca -0.27 0.81 -0.02 0.00 -0.01 0.00 0.00 57.00 57.51 2ctd n GLN 41 Cb 1.11 -5.82 -0.01 0.00 1.02 0.00 0.00 30.24 26.54 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 2.08 -2.67 -1.58 0.00 -1.26 -4.89 120.51 107.62 2ctd n ALA 42 Ca -0.14 -0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.05 2ctd n ALA 42 Cb 0.61 0.45 -0.11 0.00 0.00 0.00 0.00 19.45 20.40 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 -2.05 0.91 0.16 0.00 -7.23 -1.26 -4.98 120.40 105.96 2ctd s VAL 43 Ca -0.03 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 2ctd s VAL 43 Cb 0.01 -1.06 -0.00 0.00 0.56 0.00 0.00 36.38 35.89 2ctd s VAL 43 CO 0.05 -0.38 0.02 0.61 -0.31 0.00 0.00 175.10 175.10 2ctd n GLY 44 N 1.07 3.89 3.02 2.32 0.00 -1.26 -1.44 105.19 112.80 2ctd n GLY 44 Ca -0.20 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.57 2ctd n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctd s ARG 45 N -2.61 0.40 0.17 1.61 1.81 0.59 -4.95 118.95 115.98 2ctd s ARG 45 Ca 0.03 -0.67 -0.17 0.00 -1.72 0.00 0.00 55.73 53.20 2ctd s ARG 45 Cb 0.00 -0.06 0.10 0.00 -0.45 0.00 0.00 34.95 34.54 2ctd s ARG 45 CO 0.02 -0.01 1.66 0.87 -0.68 0.00 0.00 175.30 177.17 2ctd h LYS 46 N 4.59 -0.03 -5.24 3.54 1.57 -1.87 -1.97 116.57 117.15 2ctd h LYS 46 Ca -0.34 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.91 2ctd h LYS 46 Cb 1.21 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.39 2ctd h LYS 46 CO 0.41 -0.02 -0.58 0.95 -0.57 0.00 0.00 179.45 179.64 2ctd s THR 47 N -6.20 1.17 0.09 -0.16 -4.23 -1.26 -4.33 115.64 100.72 2ctd s THR 47 Ca -0.14 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.12 2ctd s THR 47 Cb 0.15 -2.66 -0.14 0.00 1.34 0.00 0.00 72.50 71.19 2ctd s THR 47 CO 0.71 0.00 1.71 0.40 -0.54 0.00 0.00 174.62 176.90 2ctd h ILE 48 N 1.91 0.82 -0.90 2.99 2.04 -1.95 -2.87 117.51 119.55 2ctd h ILE 48 Ca -0.40 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.62 2ctd h ILE 48 Cb 1.26 0.82 -0.16 0.00 -0.74 0.00 0.00 36.82 38.00 2ctd h ILE 48 CO 0.69 0.00 -0.29 -0.62 0.00 0.00 0.00 178.15 177.93 2ctd n GLU 49 N -5.19 -0.15 0.30 2.37 -0.58 -1.26 -0.48 120.64 115.65 2ctd n GLU 49 Ca -0.08 1.39 -0.17 0.00 -0.42 0.00 0.00 57.16 57.88 2ctd n GLU 49 Cb 0.12 -2.07 -0.09 0.00 -0.57 0.00 0.00 31.44 28.84 2ctd n GLU 49 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2ctd h GLY 50 N 0.00 -0.75 0.07 0.62 0.00 -1.91 -3.07 103.07 98.03 2ctd h GLY 50 Ca 0.37 0.28 0.08 0.00 0.00 0.00 0.00 47.33 48.06 2ctd h GLY 50 CO -0.91 -0.27 -0.19 -2.00 0.00 0.00 0.00 176.54 173.17 2ctd h LEU 51 N -0.73 -0.66 -0.94 3.11 5.85 -0.63 -1.21 115.31 120.10 2ctd h LEU 51 Ca -0.07 0.15 0.23 0.00 0.84 0.00 0.00 57.88 59.02 2ctd h LEU 51 Cb 0.56 0.35 -0.17 0.00 0.37 0.00 0.00 40.66 41.76 2ctd h LEU 51 CO 0.12 -0.23 -0.07 0.11 -0.34 0.00 0.00 178.44 178.03 2ctd h LYS 52 N -0.14 0.02 -0.10 1.25 1.57 -0.70 1.51 116.57 119.98 2ctd h LYS 52 Ca 0.18 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 2ctd h LYS 52 Cb 0.42 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2ctd h LYS 52 CO -0.45 0.01 -0.28 -0.22 -0.57 0.00 0.00 179.45 177.94 2ctd h LYS 53 N 0.02 0.18 0.21 3.15 1.63 -1.15 0.49 116.57 121.10 2ctd h LYS 53 Ca 0.52 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.25 2ctd h LYS 53 Cb 0.95 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 2ctd h LYS 53 CO -0.90 0.45 -0.10 1.25 -3.45 0.00 0.00 179.45 176.70 2ctd h HIS 54 N 0.16 -0.27 -0.42 1.91 2.76 0.25 -3.33 115.15 116.22 2ctd h HIS 54 Ca 0.02 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.05 2ctd h HIS 54 Cb 0.59 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 2ctd h HIS 54 CO 0.01 0.12 -0.26 0.00 -1.30 0.00 0.00 177.93 176.50 2ctd h MET 55 N -0.87 0.91 -0.76 5.26 -0.00 -0.47 -0.72 114.93 118.28 2ctd h MET 55 Ca -0.03 -0.43 0.31 0.00 -0.00 0.00 0.00 59.70 59.55 2ctd h MET 55 Cb 0.51 -0.01 -0.12 0.00 -0.00 0.00 0.00 31.60 31.98 2ctd h MET 55 CO 0.05 1.08 0.43 0.39 -0.00 0.00 0.00 176.91 178.86 2ctd n GLU 56 N -4.15 -0.04 -0.00 -0.10 -0.58 0.17 0.15 120.64 116.09 2ctd n GLU 56 Ca -0.01 0.96 0.04 0.00 -0.42 0.00 0.00 57.16 57.73 2ctd n GLU 56 Cb 0.48 -1.76 -0.05 0.00 -0.57 0.00 0.00 31.44 29.53 2ctd n GLU 56 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2ctd n ASN 57 N -4.52 1.27 -1.42 1.62 4.13 -1.19 -4.51 115.26 110.64 2ctd n ASN 57 Ca 0.27 -0.46 0.02 0.00 1.68 0.00 0.00 54.58 56.09 2ctd n ASN 57 Cb 0.95 1.12 0.28 0.00 -1.54 0.00 0.00 39.78 40.60 2ctd n ASN 57 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ctd n LYS 59 N -0.35 1.78 -3.71 0.00 4.81 0.36 -4.50 118.16 116.54 2ctd n LYS 59 Ca 0.31 -1.58 -0.14 0.00 -0.87 0.00 0.00 58.31 56.02 2ctd n LYS 59 Cb 1.12 -1.62 -0.05 0.00 0.02 0.00 0.00 35.03 34.50 2ctd n LYS 59 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2ctd n GLN 60 N 0.16 0.45 -5.21 1.64 1.13 -1.26 -5.08 117.38 109.21 2ctd n GLN 60 Ca 0.31 -2.54 -0.32 0.00 -1.94 0.00 0.00 57.00 52.51 2ctd n GLN 60 Cb 0.70 2.24 -0.16 0.00 0.11 0.00 0.00 30.24 33.13 2ctd n GLN 60 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2ctd s GLU 61 N -2.90 2.42 0.36 -1.09 -1.05 -1.26 -4.80 118.70 110.38 2ctd s GLU 61 Ca 0.29 -0.88 -0.06 0.00 -0.15 0.00 0.00 54.97 54.17 2ctd s GLU 61 Cb 0.00 -2.17 0.02 0.00 -0.44 0.00 0.00 34.13 31.54 2ctd s GLU 61 CO 0.20 0.47 0.56 -1.64 0.95 0.00 0.00 175.26 175.80 2ctd s MET 62 N -0.38 2.00 0.32 -4.83 -1.94 -1.26 -4.96 119.30 108.26 2ctd s MET 62 Ca 0.03 -1.69 0.03 0.00 -1.71 0.00 0.00 55.69 52.35 2ctd s MET 62 Cb -0.12 0.49 -0.04 0.00 2.01 0.00 0.00 34.83 37.17 2ctd s MET 62 CO 0.02 -0.86 0.14 -0.06 -0.01 0.00 0.00 175.02 174.25 2ctd s PHE 63 N -2.85 1.66 -0.22 -0.03 0.08 -1.25 -5.10 117.98 110.26 2ctd s PHE 63 Ca 0.27 -1.31 -0.09 0.00 0.12 0.00 0.00 56.93 55.92 2ctd s PHE 63 Cb -0.02 -0.94 0.09 0.00 -0.57 0.00 0.00 43.02 41.59 2ctd s PHE 63 CO 0.18 -0.43 0.49 0.99 -0.10 0.00 0.00 175.22 176.35 2ctd s THR 64 N -3.53 -0.59 0.97 0.64 2.01 -1.26 -3.98 115.64 109.91 2ctd s THR 64 Ca 0.34 0.10 -0.11 0.00 0.31 0.00 0.00 61.69 62.34 2ctd s THR 64 Cb 0.05 -0.76 0.17 0.00 0.01 0.00 0.00 72.50 71.97 2ctd s THR 64 CO 0.17 0.04 1.07 0.00 -0.69 0.00 0.00 174.62 175.21 2ctd n HIS 66 N -4.37 0.00 0.17 0.00 8.25 -1.26 -3.54 115.22 114.47 2ctd n HIS 66 Ca 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.49 2ctd n HIS 66 Cb 0.53 -0.80 -0.03 0.00 1.12 0.00 0.00 29.99 30.80 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 -0.45 0.02 4.41 3.86 -2.00 -3.38 115.15 117.60 2ctd h HIS 67 Ca -0.46 -0.01 -0.32 0.00 -1.16 0.00 0.00 60.37 58.42 2ctd h HIS 67 Cb 1.76 0.15 -0.04 0.00 1.06 0.00 0.00 27.41 30.34 2ctd h HIS 67 CO 0.02 -0.27 -1.76 0.00 0.86 0.00 0.00 177.93 176.78 2ctd n GLY 69 N 1.55 1.85 3.73 0.00 0.00 -1.23 -5.04 105.19 106.05 2ctd n GLY 69 Ca -0.38 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.31 2.24 -0.28 1.61 2.20 -1.26 -4.57 119.74 119.37 2ctd s LYS 70 Ca 0.00 1.68 -0.02 0.00 -0.36 0.00 0.00 55.97 57.27 2ctd s LYS 70 Cb 0.00 -1.85 0.09 0.00 -1.51 0.00 0.00 37.83 34.56 2ctd s LYS 70 CO 0.00 -1.74 0.10 -0.65 -0.36 0.00 0.00 175.35 172.70 2ctd s GLN 71 N -3.96 0.54 0.16 4.03 -0.21 -1.26 -1.31 119.66 117.64 2ctd s GLN 71 Ca 0.73 -0.79 0.10 0.00 0.02 0.00 0.00 55.36 55.42 2ctd s GLN 71 Cb -0.27 -1.76 -0.04 0.00 1.00 0.00 0.00 33.01 31.94 2ctd s GLN 71 CO 0.45 -0.94 -0.23 -0.51 -2.12 0.00 0.00 175.29 171.94 2ctd s LEU 72 N 1.81 2.39 -0.07 2.90 1.43 -1.26 -5.04 118.68 120.84 2ctd s LEU 72 Ca 0.08 -0.81 -0.25 0.00 -1.03 0.00 0.00 54.13 52.11 2ctd s LEU 72 Cb -0.17 -1.08 -0.25 0.00 0.03 0.00 0.00 46.19 44.72 2ctd s LEU 72 CO -0.26 0.10 0.96 0.03 0.23 0.00 0.00 176.35 177.41 2ctd h ARG 73 N 3.49 0.14 -5.79 1.70 3.08 -1.92 -3.32 114.38 111.75 2ctd h ARG 73 Ca -0.47 -0.17 -0.59 0.00 0.07 0.00 0.00 59.98 58.82 2ctd h ARG 73 Cb 1.20 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 31.21 2ctd h ARG 73 CO 0.45 0.96 0.40 -1.12 -1.07 0.00 0.00 179.97 179.60 2ctd s SER 74 N -6.35 6.83 0.19 7.04 0.01 -1.26 -4.81 113.70 115.35 2ctd s SER 74 Ca -0.16 1.03 -0.12 0.00 1.31 0.00 0.00 55.95 58.00 2ctd s SER 74 Cb -0.00 -2.43 0.17 0.00 0.21 0.00 0.00 66.02 63.97 2ctd s SER 74 CO 0.74 -0.46 1.78 0.25 0.41 0.00 0.00 173.24 175.96 2ctd h LEU 75 N 8.87 0.38 -0.12 2.44 5.85 -2.00 -2.89 115.31 127.83 2ctd h LEU 75 Ca -0.25 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.52 2ctd h LEU 75 Cb 1.11 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 2ctd h LEU 75 CO 0.85 0.25 -0.18 0.00 -0.34 0.00 0.00 178.44 179.02 2ctd h ALA 76 N 1.30 -0.47 -0.84 1.25 0.00 -1.99 0.14 119.26 118.65 2ctd h ALA 76 Ca 0.24 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.36 2ctd h ALA 76 Cb 0.17 0.83 -0.14 0.00 0.00 0.00 0.00 17.79 18.65 2ctd h ALA 76 CO -0.18 -0.56 0.11 0.78 0.00 0.00 0.00 179.25 179.40 2ctd h GLY 77 N -0.14 1.12 0.91 0.00 0.00 -1.97 -1.69 103.07 101.31 2ctd h GLY 77 Ca 0.02 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 2ctd h GLY 77 CO -0.19 -0.35 -0.47 1.98 0.00 0.00 0.00 176.54 177.50 2ctd h MET 78 N 0.14 -1.22 -1.19 4.80 -1.53 -1.06 -2.02 114.93 112.84 2ctd h MET 78 Ca 0.50 0.08 0.35 0.00 -3.44 0.00 0.00 59.70 57.19 2ctd h MET 78 Cb 0.96 0.28 -0.05 0.00 -0.55 0.00 0.00 31.60 32.24 2ctd h MET 78 CO -0.70 -0.82 1.14 0.87 0.14 0.00 0.00 176.91 177.55 2ctd h LYS 79 N -1.27 0.00 0.22 0.39 1.57 0.15 1.42 116.57 119.05 2ctd h LYS 79 Ca -0.12 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.33 2ctd h LYS 79 Cb 0.99 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.32 2ctd h LYS 79 CO 0.18 0.00 -1.50 -0.92 -0.57 0.00 0.00 179.45 176.64 2ctd h TYR 80 N 0.00 0.84 -0.96 -1.35 5.03 -0.92 -3.30 116.97 116.31 2ctd h TYR 80 Ca 0.57 -0.61 0.24 0.00 2.58 0.00 0.00 58.73 61.50 2ctd h TYR 80 Cb 2.85 -0.03 -0.07 0.00 1.55 0.00 0.00 36.73 41.02 2ctd h TYR 80 CO 0.00 1.53 0.64 1.12 -1.32 0.00 0.00 178.16 180.13 2ctd h HIS 81 N 0.13 0.47 -0.20 -3.82 2.07 0.26 0.04 115.15 114.10 2ctd h HIS 81 Ca -0.25 0.02 -0.08 0.00 -2.85 0.00 0.00 60.37 57.20 2ctd h HIS 81 Cb 2.12 -0.14 -0.00 0.00 2.57 0.00 0.00 27.41 31.96 2ctd h HIS 81 CO 0.11 0.09 -0.18 0.28 -3.07 0.00 0.00 177.93 175.17 2ctd h VAL 82 N 0.33 1.33 0.00 6.12 2.07 -1.60 0.42 116.25 124.92 2ctd h VAL 82 Ca 0.50 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2ctd h VAL 82 Cb 1.39 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2ctd h VAL 82 CO -0.18 0.40 0.23 0.24 0.02 0.00 0.00 177.57 178.28 2ctd h MET 83 N 0.14 0.00 0.00 1.57 2.07 -1.08 0.41 114.93 118.05 2ctd h MET 83 Ca 0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 2ctd h MET 83 Cb 0.71 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.44 2ctd h MET 83 CO 0.04 0.00 -0.17 0.00 1.07 0.00 0.00 176.91 177.85 2ctd n ALA 84 N -1.90 1.26 0.05 6.32 0.00 -1.07 -4.47 120.51 120.70 2ctd n ALA 84 Ca -0.02 -0.26 0.21 0.00 0.00 0.00 0.00 53.44 53.37 2ctd n ALA 84 Cb 0.28 0.03 0.74 0.00 0.00 0.00 0.00 19.45 20.50 2ctd n ALA 84 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ctd h ASN 85 N -0.17 0.00 -3.20 0.00 2.35 -0.18 -3.41 115.58 110.97 2ctd h ASN 85 Ca 0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 2ctd h ASN 85 Cb 0.17 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 2ctd h ASN 85 CO 0.00 0.00 -0.16 1.41 -1.65 0.00 0.00 177.43 177.03 2ctd n HIS 86 N -3.96 -0.08 -3.77 1.19 8.25 0.14 -4.87 115.22 112.12 2ctd n HIS 86 Ca 0.09 -0.95 -0.23 0.00 -0.26 0.00 0.00 57.72 56.37 2ctd n HIS 86 Cb 0.63 0.04 -0.07 0.00 1.12 0.00 0.00 29.99 31.71 2ctd n HIS 86 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2ctd n ASN 87 N -2.14 0.41 -3.63 0.41 4.13 -1.24 -4.24 115.26 108.96 2ctd n ASN 87 Ca -0.00 -0.90 -0.08 0.00 1.68 0.00 0.00 54.58 55.27 2ctd n ASN 87 Cb 0.21 -1.13 -0.07 0.00 -1.54 0.00 0.00 39.78 37.26 2ctd n ASN 87 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2ctd s SER 88 N -3.80 -0.35 -0.21 6.41 0.15 -1.26 -4.79 113.70 109.84 2ctd s SER 88 Ca 0.08 0.64 -0.11 0.00 0.70 0.00 0.00 55.95 57.26 2ctd s SER 88 Cb -0.05 0.63 -0.05 0.00 -1.71 0.00 0.00 66.02 64.84 2ctd s SER 88 CO 0.71 -0.15 0.17 -0.76 1.20 0.00 0.00 173.24 174.41 2ctd s LEU 89 N -0.05 4.17 0.55 3.45 1.43 -1.26 -5.00 118.68 121.98 2ctd s LEU 89 Ca 0.03 0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 53.17 2ctd s LEU 89 Cb -0.04 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 2ctd s LEU 89 CO -0.07 0.11 1.13 -2.16 0.23 0.00 0.00 176.35 175.59 2ctd s PRO 90 N 0.69 3.34 1.14 1.29 0.04 -1.26 -5.03 135.00 135.20 2ctd s PRO 90 Ca 0.09 1.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 2ctd s PRO 90 Cb -0.12 -2.00 0.25 0.00 0.04 0.00 0.00 34.50 32.67 2ctd s PRO 90 CO 0.02 -0.86 1.09 0.45 0.04 0.00 0.00 177.00 177.73 2ctd s SER 91 N -1.80 1.45 -0.22 6.66 0.15 -1.26 -5.04 113.70 113.64 2ctd s SER 91 Ca 0.73 0.92 0.02 0.00 0.70 0.00 0.00 55.95 58.32 2ctd s SER 91 Cb -0.24 -1.39 0.04 0.00 -1.71 0.00 0.00 66.02 62.73 2ctd s SER 91 CO 0.27 -3.83 -0.13 -0.83 1.20 0.00 0.00 173.24 169.92 2ctd s GLY 92 N -3.57 1.47 0.00 9.45 0.00 -1.26 -4.97 107.32 108.44 2ctd s GLY 92 Ca 0.68 -1.45 0.11 0.00 0.00 0.00 0.00 44.72 44.06 2ctd s GLY 92 CO 0.57 0.55 1.10 -1.55 0.00 0.00 0.00 173.10 173.77 2ctd n PRO 93 N 4.56 0.49 -1.19 2.90 -0.04 -1.26 -4.60 135.00 135.86 2ctd n PRO 93 Ca -0.16 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.01 2ctd n PRO 93 Cb 0.45 -1.36 -0.11 0.00 -0.04 0.00 0.00 33.50 32.45 2ctd n PRO 93 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ctd n SER 94 N -0.86 1.45 -4.40 3.54 3.41 -1.26 -4.84 113.62 110.66 2ctd n SER 94 Ca 0.08 -2.53 -0.27 0.00 -0.26 0.00 0.00 58.87 55.90 2ctd n SER 94 Cb 0.04 -1.23 -0.12 0.00 -0.26 0.00 0.00 64.21 62.64 2ctd n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ctd s SER 95 N 7.52 3.30 0.00 4.04 1.04 -1.26 -5.31 113.70 123.03 2ctd s SER 95 Ca 0.74 -0.84 0.32 0.00 0.48 0.00 0.00 55.95 56.64 2ctd s SER 95 Cb 0.04 -0.23 1.81 0.00 0.10 0.00 0.00 66.02 67.74 2ctd s SER 95 CO 0.24 0.11 2.18 0.61 0.98 0.00 0.00 173.24 177.36