#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 5.64 -0.07 1.61 1.04 -1.26 -5.05 113.70 115.61 2ctd s SER 2 Ca 0.00 -0.39 -0.23 0.00 0.48 0.00 0.00 55.95 55.81 2ctd s SER 2 Cb 0.00 -0.88 -0.30 0.00 0.10 0.00 0.00 66.02 64.94 2ctd s SER 2 CO 0.00 -0.59 0.84 0.77 0.98 0.00 0.00 173.24 175.24 2ctd h SER 3 N 0.85 0.37 0.00 7.02 4.64 -2.07 -3.48 113.55 120.87 2ctd h SER 3 Ca -0.43 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 59.94 2ctd h SER 3 Cb 1.27 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2ctd h SER 3 CO 0.51 1.33 0.00 0.61 -0.87 0.00 0.00 176.83 178.41 2ctd n GLY 4 N 1.66 -0.74 3.51 -0.77 0.00 -1.26 -5.15 105.19 102.44 2ctd n GLY 4 Ca -0.14 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2ctd n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctd s SER 5 N 0.00 5.31 0.10 1.61 0.15 -1.26 -5.01 113.70 114.60 2ctd s SER 5 Ca 0.00 -0.12 -0.33 0.00 0.70 0.00 0.00 55.95 56.20 2ctd s SER 5 Cb 0.00 -1.94 -0.13 0.00 -1.71 0.00 0.00 66.02 62.23 2ctd s SER 5 CO 0.00 0.02 1.58 -1.28 1.20 0.00 0.00 173.24 174.76 2ctd h SER 6 N 7.81 -1.33 0.00 5.45 0.87 -2.06 -3.48 113.55 120.81 2ctd h SER 6 Ca -0.37 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2ctd h SER 6 Cb 1.18 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 63.61 2ctd h SER 6 CO 0.61 -0.56 0.00 0.61 -0.53 0.00 0.00 176.83 176.95 2ctd n GLY 7 N -1.50 3.13 3.63 5.77 0.00 -1.26 -5.18 105.19 109.79 2ctd n GLY 7 Ca -0.09 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 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 1.48 2.28 -0.02 1.61 1.81 -1.26 -5.03 118.95 119.82 2ctd s ARG 8 Ca 0.00 -1.23 0.22 0.00 -1.72 0.00 0.00 55.73 53.00 2ctd s ARG 8 Cb 0.00 -2.25 -0.31 0.00 -0.45 0.00 0.00 34.95 31.94 2ctd s ARG 8 CO 0.00 0.43 0.58 -0.89 -0.68 0.00 0.00 175.30 174.73 2ctd n ILE 9 N -0.27 0.01 -3.77 1.52 5.41 -1.26 -4.76 119.36 116.23 2ctd n ILE 9 Ca -0.09 -0.39 -0.30 0.00 1.00 0.00 0.00 62.75 62.97 2ctd n ILE 9 Cb 0.56 0.21 -0.14 0.00 -0.71 0.00 0.00 39.64 39.56 2ctd n ILE 9 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2ctd s ARG 10 N -3.41 1.28 -0.19 0.38 1.81 -1.26 -5.09 118.95 112.47 2ctd s ARG 10 Ca -0.04 -1.90 -0.02 0.00 -1.72 0.00 0.00 55.73 52.05 2ctd s ARG 10 Cb 0.14 -2.47 -0.00 0.00 -0.45 0.00 0.00 34.95 32.17 2ctd s ARG 10 CO 0.90 -1.10 -0.10 0.15 -0.68 0.00 0.00 175.30 174.47 2ctd s LYS 11 N 0.55 3.29 -0.13 3.54 1.02 -1.26 -5.10 119.74 121.65 2ctd s LYS 11 Ca 0.16 -0.68 -0.24 0.00 0.02 0.00 0.00 55.97 55.22 2ctd s LYS 11 Cb -0.23 -2.83 0.06 0.00 -0.52 0.00 0.00 37.83 34.31 2ctd s LYS 11 CO -0.05 -0.12 0.61 -1.83 -0.92 0.00 0.00 175.35 173.03 2ctd s GLU 12 N 1.22 0.85 -0.04 1.68 1.03 -1.26 -5.14 118.70 117.04 2ctd s GLU 12 Ca 0.02 0.49 -0.30 0.00 0.03 0.00 0.00 54.97 55.21 2ctd s GLU 12 Cb -0.14 0.41 -0.05 0.00 -0.80 0.00 0.00 34.13 33.54 2ctd s GLU 12 CO -0.04 -0.20 1.48 -1.25 -1.33 0.00 0.00 175.26 173.93 2ctd s PRO 13 N -0.49 4.23 1.19 -4.83 0.04 -1.26 -5.02 135.00 128.87 2ctd s PRO 13 Ca -0.06 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.79 2ctd s PRO 13 Cb -0.03 -3.75 0.30 0.00 0.04 0.00 0.00 34.50 31.06 2ctd s PRO 13 CO 0.05 -0.70 1.06 -0.35 0.04 0.00 0.00 177.00 177.10 2ctd n PRO 14 N 6.21 -3.09 -0.32 0.56 -0.04 -1.26 -4.91 135.00 132.15 2ctd n PRO 14 Ca 0.15 -1.70 0.10 0.00 -0.04 0.00 0.00 63.50 62.02 2ctd n PRO 14 Cb 0.43 -1.59 0.28 0.00 -0.04 0.00 0.00 33.50 32.58 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 -2.70 0.66 -3.75 0.52 3.04 -2.04 -3.42 116.25 108.57 2ctd h VAL 15 Ca -0.40 -0.21 -0.56 0.00 -1.01 0.00 0.00 66.70 64.51 2ctd h VAL 15 Cb 1.22 -0.01 0.17 0.00 -2.01 0.00 0.00 31.29 30.66 2ctd h VAL 15 CO 0.26 0.11 0.20 -1.22 -1.01 0.00 0.00 177.57 175.91 2ctd n TYR 16 N -4.87 1.00 -1.90 3.17 4.01 -1.26 -4.93 117.16 112.37 2ctd n TYR 16 Ca 0.20 0.42 -0.37 0.00 -0.16 0.00 0.00 57.90 57.99 2ctd n TYR 16 Cb 0.53 -2.15 0.04 0.00 -0.31 0.00 0.00 39.34 37.45 2ctd n TYR 16 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ctd s ALA 17 N -1.57 2.66 -0.01 -0.72 0.00 -1.26 -4.87 121.76 115.99 2ctd s ALA 17 Ca 0.77 1.16 -0.05 0.00 0.00 0.00 0.00 51.96 53.85 2ctd s ALA 17 Cb -0.39 -3.51 -0.20 0.00 0.00 0.00 0.00 23.12 19.02 2ctd s ALA 17 CO 0.46 -1.27 3.25 0.00 0.00 0.00 0.00 175.76 178.20 2ctd n ALA 18 N -1.32 5.87 0.00 0.00 0.00 -1.26 -3.46 120.51 120.34 2ctd n ALA 18 Ca 0.12 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 52.09 2ctd n ALA 18 Cb 0.47 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 2.23 0.00 3.30 0.00 0.00 -1.26 -5.17 105.19 104.29 2ctd n GLY 19 Ca 0.34 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 1.52 0.12 1.61 0.01 -1.22 -5.06 113.70 110.67 2ctd s SER 20 Ca 0.00 -1.25 -0.24 0.00 1.31 0.00 0.00 55.95 55.78 2ctd s SER 20 Cb 0.00 0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.25 2ctd s SER 20 CO 0.00 -0.58 1.67 -0.07 0.41 0.00 0.00 173.24 174.67 2ctd h LEU 21 N 2.51 -0.48 -0.99 2.44 3.38 -2.00 -2.14 115.31 118.03 2ctd h LEU 21 Ca -0.38 0.08 0.30 0.00 0.09 0.00 0.00 57.88 57.97 2ctd h LEU 21 Cb 1.22 0.21 -0.18 0.00 0.09 0.00 0.00 40.66 42.00 2ctd h LEU 21 CO 0.63 -0.22 0.15 -0.33 0.09 0.00 0.00 178.44 178.77 2ctd h GLU 22 N -0.24 0.02 -0.00 1.13 3.07 -1.97 0.47 114.58 117.05 2ctd h GLU 22 Ca 0.07 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2ctd h GLU 22 Cb 0.33 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 2ctd h GLU 22 CO -0.18 0.01 0.00 1.49 -1.40 0.00 0.00 179.01 178.93 2ctd h GLU 23 N 0.02 0.00 0.39 2.33 4.57 -1.63 -2.12 114.58 118.14 2ctd h GLU 23 Ca 0.65 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.83 2ctd h GLU 23 Cb 1.45 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.01 2ctd h GLU 23 CO -0.88 0.12 -0.44 1.96 -1.18 0.00 0.00 179.01 178.60 2ctd h GLN 24 N -0.12 -0.82 -0.29 1.92 4.20 0.07 -2.93 115.11 117.14 2ctd h GLN 24 Ca 0.00 0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.82 2ctd h GLN 24 Cb 0.12 0.19 -0.08 0.00 0.30 0.00 0.00 27.48 28.01 2ctd h GLN 24 CO -0.00 -0.55 -0.47 -1.49 -0.67 0.00 0.00 178.83 175.65 2ctd h TRP 25 N -0.86 -1.40 -0.86 2.96 6.55 -1.10 -1.28 115.95 119.97 2ctd h TRP 25 Ca -0.03 0.06 0.16 0.00 0.95 0.00 0.00 58.89 60.03 2ctd h TRP 25 Cb 0.77 0.65 -0.16 0.00 -0.86 0.00 0.00 29.16 29.56 2ctd h TRP 25 CO -0.25 -0.48 -0.24 0.98 -1.05 0.00 0.00 178.44 177.40 2ctd n TYR 26 N -5.42 0.25 0.05 0.49 9.36 -0.80 0.51 117.16 121.60 2ctd n TYR 26 Ca -0.03 1.05 -0.11 0.00 3.32 0.00 0.00 57.90 62.13 2ctd n TYR 26 Cb 0.36 -0.96 -0.04 0.00 -0.63 0.00 0.00 39.34 38.06 2ctd n TYR 26 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2ctd h LEU 27 N 0.00 -0.57 -1.36 2.98 3.38 -1.06 0.18 115.31 118.86 2ctd h LEU 27 Ca 0.39 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.52 2ctd h LEU 27 Cb 0.61 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2ctd h LEU 27 CO -0.88 -0.26 0.66 -0.33 0.09 0.00 0.00 178.44 177.72 2ctd h GLU 28 N -0.30 0.00 0.01 1.13 5.08 0.32 0.64 114.58 121.46 2ctd h GLU 28 Ca 0.06 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.06 2ctd h GLU 28 Cb 0.39 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 2ctd h GLU 28 CO -0.19 0.00 -2.30 -0.89 -1.00 0.00 0.00 179.01 174.62 2ctd n ILE 29 N -3.03 1.50 0.77 3.13 5.41 -0.02 -2.59 119.36 124.53 2ctd n ILE 29 Ca 0.04 -0.71 0.13 0.00 1.00 0.00 0.00 62.75 63.21 2ctd n ILE 29 Cb 0.76 -1.06 0.50 0.00 -0.71 0.00 0.00 39.64 39.14 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 -3.07 0.38 -0.07 1.39 0.24 0.13 -1.36 118.33 115.98 2ctd n VAL 30 Ca -0.36 -0.07 -0.14 0.00 -2.04 0.00 0.00 64.34 61.73 2ctd n VAL 30 Cb 1.07 -0.63 -0.05 0.00 -1.47 0.00 0.00 33.84 32.76 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 -1.85 1.35 -0.07 -1.34 -0.08 0.18 -4.83 116.55 109.91 2ctd n ASP 31 Ca 0.06 0.22 -0.22 0.00 -1.51 0.00 0.00 54.79 53.35 2ctd n ASP 31 Cb 0.35 -0.53 -0.12 0.00 2.34 0.00 0.00 41.12 43.16 2ctd n ASP 31 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2ctd h LYS 32 N -0.61 0.07 0.00 -0.67 1.79 -1.64 -3.49 116.57 112.02 2ctd h LYS 32 Ca -0.27 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2ctd h LYS 32 Cb 1.10 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2ctd h LYS 32 CO -0.17 1.06 0.00 0.41 -1.08 0.00 0.00 179.45 179.67 2ctd n GLY 33 N 1.57 1.25 3.57 3.86 0.00 -0.46 -4.99 105.19 109.99 2ctd n GLY 33 Ca -0.31 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 2ctd n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctd s SER 34 N -0.67 -0.68 0.16 1.61 0.01 -1.19 -4.78 113.70 108.16 2ctd s SER 34 Ca 0.00 1.01 -0.09 0.00 1.31 0.00 0.00 55.95 58.17 2ctd s SER 34 Cb 0.00 0.92 -0.06 0.00 0.21 0.00 0.00 66.02 67.08 2ctd s SER 34 CO 0.00 -0.43 0.47 0.54 0.41 0.00 0.00 173.24 174.22 2ctd s VAL 35 N -0.50 5.02 0.20 3.43 0.11 -0.72 -4.34 120.40 123.59 2ctd s VAL 35 Ca -0.06 0.42 0.05 0.00 -2.93 0.00 0.00 61.98 59.47 2ctd s VAL 35 Cb -0.02 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 2ctd s VAL 35 CO 0.05 0.10 0.22 -0.55 -3.33 0.00 0.00 175.10 171.60 2ctd s SER 36 N -2.11 5.83 -0.22 3.54 0.15 -1.26 -0.75 113.70 118.88 2ctd s SER 36 Ca 0.40 -0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.70 2ctd s SER 36 Cb -0.13 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.54 2ctd s SER 36 CO 0.21 0.01 1.91 0.00 1.20 0.00 0.00 173.24 176.57 2ctd n PRO 38 N 8.24 0.42 -0.09 0.00 -0.04 -1.26 0.12 135.00 142.39 2ctd n PRO 38 Ca 0.24 0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.62 2ctd n PRO 38 Cb 0.45 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.07 1.48 -0.07 0.52 -1.04 -1.26 -4.77 114.28 108.07 2ctd n THR 39 Ca 0.11 0.09 -0.05 0.00 -2.04 0.00 0.00 64.05 62.15 2ctd n THR 39 Cb 0.07 -2.25 -0.16 0.00 -1.82 0.00 0.00 70.33 66.17 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 -2.67 -6.65 -0.03 0.00 6.02 0.31 -4.88 117.38 109.48 2ctd n GLN 41 Ca -0.24 0.71 -0.06 0.00 -0.01 0.00 0.00 57.00 57.40 2ctd n GLN 41 Cb 1.01 -5.67 -0.03 0.00 1.02 0.00 0.00 30.24 26.57 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 -4.78 2.11 -3.32 -1.58 0.00 -1.26 -4.89 120.51 106.78 2ctd n ALA 42 Ca -0.01 -0.28 -0.20 0.00 0.00 0.00 0.00 53.44 52.95 2ctd n ALA 42 Cb 0.56 0.37 -0.16 0.00 0.00 0.00 0.00 19.45 20.22 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 -2.13 0.62 0.45 0.00 -7.23 -1.26 -4.99 120.40 105.86 2ctd s VAL 43 Ca -0.09 -0.22 0.02 0.00 -1.81 0.00 0.00 61.98 59.88 2ctd s VAL 43 Cb 0.03 -0.59 0.02 0.00 0.56 0.00 0.00 36.38 36.40 2ctd s VAL 43 CO 0.14 0.22 0.19 0.61 -0.31 0.00 0.00 175.10 175.96 2ctd n GLY 44 N 3.65 3.17 3.40 2.32 0.00 -1.26 -3.00 105.19 113.48 2ctd n GLY 44 Ca -0.22 -2.31 -0.20 0.00 0.00 0.00 0.00 46.02 43.29 2ctd n GLY 44 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ctd s ARG 45 N -3.74 1.49 0.43 1.61 6.06 0.07 -4.96 118.95 119.91 2ctd s ARG 45 Ca 0.15 -1.75 0.22 0.00 -2.50 0.00 0.00 55.73 51.85 2ctd s ARG 45 Cb -0.01 -1.03 0.94 0.00 0.06 0.00 0.00 34.95 34.91 2ctd s ARG 45 CO 0.09 0.02 1.85 0.87 -2.50 0.00 0.00 175.30 175.63 2ctd h LYS 46 N 2.34 0.00 -4.61 5.12 6.56 -1.87 -1.93 116.57 122.19 2ctd h LYS 46 Ca -0.39 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 58.92 2ctd h LYS 46 Cb 1.23 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.75 2ctd h LYS 46 CO 0.66 0.27 -0.57 0.95 -2.06 0.00 0.00 179.45 178.70 2ctd s THR 47 N -3.80 0.00 -0.02 -0.16 -4.23 -1.26 -4.63 115.64 101.53 2ctd s THR 47 Ca -0.01 -1.97 -0.21 0.00 -1.18 0.00 0.00 61.69 58.32 2ctd s THR 47 Cb 0.11 -2.49 -0.13 0.00 1.34 0.00 0.00 72.50 71.33 2ctd s THR 47 CO 0.65 0.00 0.93 0.40 -0.54 0.00 0.00 174.62 176.06 2ctd h ILE 48 N 2.51 0.37 -0.63 2.99 2.04 -1.95 -3.02 117.51 119.82 2ctd h ILE 48 Ca -0.33 -0.66 0.06 0.00 1.00 0.00 0.00 64.86 64.92 2ctd h ILE 48 Cb 1.25 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.83 2ctd h ILE 48 CO 0.49 0.08 -0.37 -0.62 0.00 0.00 0.00 178.15 177.73 2ctd n GLU 49 N -5.14 -0.28 -0.19 2.37 1.02 -1.26 0.82 120.64 117.98 2ctd n GLU 49 Ca -0.09 1.04 -0.01 0.00 -0.02 0.00 0.00 57.16 58.08 2ctd n GLU 49 Cb 0.27 -1.53 0.09 0.00 -0.02 0.00 0.00 31.44 30.25 2ctd n GLU 49 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2ctd h GLY 50 N 0.00 0.80 0.72 0.62 0.00 -2.00 -2.51 103.07 100.71 2ctd h GLY 50 Ca 0.10 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.33 2ctd h GLY 50 CO -0.59 0.00 -0.10 -2.00 0.00 0.00 0.00 176.54 173.85 2ctd h LEU 51 N 0.41 -0.30 -1.00 3.11 5.85 0.55 -2.61 115.31 121.33 2ctd h LEU 51 Ca 0.29 0.05 0.20 0.00 0.84 0.00 0.00 57.88 59.25 2ctd h LEU 51 Cb 0.33 0.13 -0.19 0.00 0.37 0.00 0.00 40.66 41.30 2ctd h LEU 51 CO -0.28 -0.15 -0.25 0.29 -0.34 0.00 0.00 178.44 177.71 2ctd n LYS 52 N -5.23 -0.09 -0.04 1.25 5.02 0.55 0.20 118.16 119.82 2ctd n LYS 52 Ca -0.05 1.55 0.03 0.00 -2.02 0.00 0.00 58.31 57.82 2ctd n LYS 52 Cb 0.15 -2.32 0.38 0.00 -0.02 0.00 0.00 35.03 33.22 2ctd n LYS 52 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2ctd h LYS 53 N 0.00 0.62 0.34 1.97 1.63 -1.41 -0.12 116.57 119.61 2ctd h LYS 53 Ca 0.47 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.21 2ctd h LYS 53 Cb 0.72 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2ctd h LYS 53 CO -1.02 0.43 -0.16 1.25 -3.45 0.00 0.00 179.45 176.50 2ctd h HIS 54 N 0.64 -0.42 0.00 1.91 2.76 0.24 -3.04 115.15 117.24 2ctd h HIS 54 Ca 0.17 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2ctd h HIS 54 Cb -0.03 0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.06 2ctd h HIS 54 CO 0.00 -0.08 -0.02 0.00 -1.30 0.00 0.00 177.93 176.53 2ctd h MET 55 N -0.89 0.00 -0.55 5.26 -0.00 -0.81 0.27 114.93 118.22 2ctd h MET 55 Ca -0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.57 2ctd h MET 55 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.11 2ctd h MET 55 CO 0.08 0.02 0.02 0.93 -0.00 0.00 0.00 176.91 177.95 2ctd h GLU 56 N 0.00 0.95 0.00 -0.10 4.39 -0.91 -2.79 114.58 116.12 2ctd h GLU 56 Ca -0.00 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2ctd h GLU 56 Cb 0.07 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2ctd h GLU 56 CO 0.00 0.95 -1.04 0.27 -1.16 0.00 0.00 179.01 178.04 2ctd n ASN 57 N -4.28 0.70 -1.30 1.42 0.23 -0.76 -4.04 115.26 107.24 2ctd n ASN 57 Ca 0.02 -0.54 0.06 0.00 -0.53 0.00 0.00 54.58 53.59 2ctd n ASN 57 Cb 0.32 0.93 0.27 0.00 -2.08 0.00 0.00 39.78 39.22 2ctd n ASN 57 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ctd n LYS 59 N 0.69 1.18 -3.08 0.00 -0.00 -1.06 -4.78 118.16 111.11 2ctd n LYS 59 Ca 0.19 0.46 -0.39 0.00 -0.00 0.00 0.00 58.31 58.56 2ctd n LYS 59 Cb 0.74 -2.52 -0.05 0.00 -0.00 0.00 0.00 35.03 33.20 2ctd n LYS 59 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2ctd s GLN 60 N -3.27 4.42 0.21 -1.58 -1.52 -1.26 -5.07 119.66 111.59 2ctd s GLN 60 Ca 0.81 0.89 0.11 0.00 -1.95 0.00 0.00 55.36 55.22 2ctd s GLN 60 Cb -0.39 -3.39 -0.04 0.00 -0.22 0.00 0.00 33.01 28.97 2ctd s GLN 60 CO 0.42 0.24 -0.22 -2.00 -0.25 0.00 0.00 175.29 173.47 2ctd s GLU 61 N 0.19 1.51 0.12 2.91 2.56 -1.26 -5.08 118.70 119.65 2ctd s GLU 61 Ca 0.36 -1.56 -0.21 0.00 0.00 0.00 0.00 54.97 53.55 2ctd s GLU 61 Cb -0.19 -1.73 -0.13 0.00 2.00 0.00 0.00 34.13 34.08 2ctd s GLU 61 CO 0.19 0.36 0.43 -1.33 -0.56 0.00 0.00 175.26 174.36 2ctd n MET 62 N 0.08 0.00 -4.72 4.30 2.81 -1.26 -4.96 117.12 113.38 2ctd n MET 62 Ca -0.11 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.46 2ctd n MET 62 Cb 0.57 -0.77 -0.08 0.00 -0.71 0.00 0.00 33.22 32.23 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 -0.62 1.91 -0.27 2.03 0.08 -1.25 -5.09 117.98 114.78 2ctd s PHE 63 Ca 0.49 -0.98 -0.07 0.00 0.12 0.00 0.00 56.93 56.49 2ctd s PHE 63 Cb -0.71 -1.56 0.13 0.00 -0.57 0.00 0.00 43.02 40.31 2ctd s PHE 63 CO 0.41 0.18 0.56 0.99 -0.10 0.00 0.00 175.22 177.26 2ctd s THR 64 N -2.91 -0.88 0.95 0.64 2.01 -1.26 -3.93 115.64 110.25 2ctd s THR 64 Ca 0.11 0.04 -0.11 0.00 0.31 0.00 0.00 61.69 62.04 2ctd s THR 64 Cb 0.02 -0.90 0.14 0.00 0.01 0.00 0.00 72.50 71.78 2ctd s THR 64 CO 0.06 0.01 1.01 0.00 -0.69 0.00 0.00 174.62 175.01 2ctd n HIS 66 N -4.23 0.00 0.35 0.00 -0.00 -1.26 -3.40 115.22 106.68 2ctd n HIS 66 Ca 0.10 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.10 2ctd n HIS 66 Cb 0.53 -0.63 -0.09 0.00 -0.12 0.00 0.00 29.99 29.67 2ctd n HIS 66 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2ctd h HIS 67 N 0.00 -1.05 0.00 1.57 3.86 -2.00 -3.37 115.15 114.16 2ctd h HIS 67 Ca -0.36 -0.01 -0.41 0.00 -1.16 0.00 0.00 60.37 58.43 2ctd h HIS 67 Cb 1.63 0.37 -0.07 0.00 1.06 0.00 0.00 27.41 30.41 2ctd h HIS 67 CO 0.01 -0.59 -2.44 0.00 0.86 0.00 0.00 177.93 175.77 2ctd n GLY 69 N 1.85 1.83 3.74 0.00 0.00 -1.22 -5.05 105.19 106.34 2ctd n GLY 69 Ca -0.48 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.40 2.40 -0.23 1.61 2.20 -1.26 -4.64 119.74 119.42 2ctd s LYS 70 Ca 0.00 1.66 -0.04 0.00 -0.36 0.00 0.00 55.97 57.23 2ctd s LYS 70 Cb 0.00 -1.88 0.08 0.00 -1.51 0.00 0.00 37.83 34.52 2ctd s LYS 70 CO 0.00 -1.61 0.10 -0.65 -0.36 0.00 0.00 175.35 172.83 2ctd s GLN 71 N -3.90 0.22 0.01 4.03 -0.21 -1.26 -1.40 119.66 117.15 2ctd s GLN 71 Ca 0.73 -0.36 0.03 0.00 0.02 0.00 0.00 55.36 55.77 2ctd s GLN 71 Cb -0.27 -1.61 -0.01 0.00 1.00 0.00 0.00 33.01 32.12 2ctd s GLN 71 CO 0.43 -0.83 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.16 2ctd s LEU 72 N 2.06 2.08 0.27 2.90 1.43 -1.25 -5.03 118.68 121.13 2ctd s LEU 72 Ca 0.05 -0.28 0.14 0.00 -1.03 0.00 0.00 54.13 53.01 2ctd s LEU 72 Cb -0.16 -0.50 0.22 0.00 0.03 0.00 0.00 46.19 45.78 2ctd s LEU 72 CO -0.21 0.07 1.51 0.08 0.23 0.00 0.00 176.35 178.03 2ctd h ARG 73 N 5.54 0.00 -4.53 1.70 0.11 -1.98 -3.32 114.38 111.90 2ctd h ARG 73 Ca -0.33 0.00 -0.72 0.00 0.10 0.00 0.00 59.98 59.03 2ctd h ARG 73 Cb 1.18 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 32.05 2ctd h ARG 73 CO 0.47 0.59 -0.28 -1.12 0.10 0.00 0.00 179.97 179.74 2ctd s SER 74 N -6.55 6.16 0.29 0.08 0.01 -1.26 -4.75 113.70 107.67 2ctd s SER 74 Ca 0.02 -1.07 0.02 0.00 1.31 0.00 0.00 55.95 56.23 2ctd s SER 74 Cb 0.10 -2.20 0.70 0.00 0.21 0.00 0.00 66.02 64.83 2ctd s SER 74 CO 0.75 -0.63 1.68 0.25 0.41 0.00 0.00 173.24 175.70 2ctd h LEU 75 N 8.92 0.20 -0.28 2.44 5.85 -1.98 -1.98 115.31 128.47 2ctd h LEU 75 Ca -0.28 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.64 2ctd h LEU 75 Cb 1.11 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 2ctd h LEU 75 CO 0.85 -0.06 -0.34 0.00 -0.34 0.00 0.00 178.44 178.55 2ctd h ALA 76 N 1.72 -0.56 -0.76 1.25 0.00 -1.97 0.23 119.26 119.18 2ctd h ALA 76 Ca 0.54 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.62 2ctd h ALA 76 Cb 1.05 0.99 -0.10 0.00 0.00 0.00 0.00 17.79 19.73 2ctd h ALA 76 CO -0.57 -0.73 0.26 0.78 0.00 0.00 0.00 179.25 178.99 2ctd h GLY 77 N -0.21 1.12 0.93 0.00 0.00 -1.80 -2.31 103.07 100.80 2ctd h GLY 77 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2ctd h GLY 77 CO -0.38 -0.15 -0.39 1.98 0.00 0.00 0.00 176.54 177.59 2ctd h MET 78 N 0.37 -1.00 -0.12 4.80 -1.53 -0.94 -1.50 114.93 115.00 2ctd h MET 78 Ca 0.43 0.07 0.03 0.00 -3.44 0.00 0.00 59.70 56.79 2ctd h MET 78 Cb 0.70 0.23 -0.00 0.00 -0.55 0.00 0.00 31.60 31.97 2ctd h MET 78 CO -0.46 -0.66 0.74 0.87 0.14 0.00 0.00 176.91 177.54 2ctd h LYS 79 N -1.03 0.00 0.11 0.39 1.57 -0.04 0.91 116.57 118.48 2ctd h LYS 79 Ca -0.10 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.34 2ctd h LYS 79 Cb 0.81 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 2ctd h LYS 79 CO 0.13 0.00 -1.89 -0.92 -0.57 0.00 0.00 179.45 176.20 2ctd h TYR 80 N 0.00 0.43 -0.93 -1.35 5.03 -1.03 -3.35 116.97 115.78 2ctd h TYR 80 Ca 0.06 -0.32 0.27 0.00 2.58 0.00 0.00 58.73 61.32 2ctd h TYR 80 Cb 1.54 -0.02 -0.04 0.00 1.55 0.00 0.00 36.73 39.77 2ctd h TYR 80 CO 0.00 1.62 0.66 1.12 -1.32 0.00 0.00 178.16 180.25 2ctd h HIS 81 N 0.07 0.03 0.05 -3.82 2.07 0.17 0.16 115.15 113.88 2ctd h HIS 81 Ca -0.38 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.14 2ctd h HIS 81 Cb 2.04 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 32.01 2ctd h HIS 81 CO 0.07 0.01 -0.02 0.28 -3.07 0.00 0.00 177.93 175.19 2ctd h VAL 82 N 0.02 1.30 0.00 6.12 2.07 -1.66 0.17 116.25 124.27 2ctd h VAL 82 Ca 0.44 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 2ctd h VAL 82 Cb 1.74 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 33.67 2ctd h VAL 82 CO -0.02 0.33 -0.12 0.24 0.02 0.00 0.00 177.57 178.03 2ctd h MET 83 N -0.69 0.00 0.00 1.57 2.07 -1.30 0.79 114.93 117.37 2ctd h MET 83 Ca -0.01 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.52 2ctd h MET 83 Cb 0.59 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.31 2ctd h MET 83 CO 0.01 0.12 -0.58 0.00 1.07 0.00 0.00 176.91 177.53 2ctd h ALA 84 N 1.88 0.11 0.00 6.32 0.00 -0.74 -3.29 119.26 123.55 2ctd h ALA 84 Ca -0.00 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 2ctd h ALA 84 Cb 0.38 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2ctd h ALA 84 CO 0.02 0.34 -0.19 -0.91 0.00 0.00 0.00 179.25 178.50 2ctd h ASN 85 N -1.00 0.00 -0.20 0.00 2.35 -0.59 -3.36 115.58 112.78 2ctd h ASN 85 Ca -0.15 -0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.45 2ctd h ASN 85 Cb 1.02 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.33 2ctd h ASN 85 CO -0.09 0.60 0.10 1.41 -1.65 0.00 0.00 177.43 177.79 2ctd n HIS 86 N -4.72 0.55 -1.61 1.19 8.25 0.27 -4.88 115.22 114.27 2ctd n HIS 86 Ca -0.03 -1.40 -0.24 0.00 -0.26 0.00 0.00 57.72 55.79 2ctd n HIS 86 Cb 0.10 -0.83 -0.05 0.00 1.12 0.00 0.00 29.99 30.33 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 1.37 4.21 -0.62 0.41 2.20 -1.03 -4.61 114.94 116.87 2ctd s ASN 87 Ca 0.21 0.42 0.05 0.00 -0.94 0.00 0.00 52.86 52.60 2ctd s ASN 87 Cb 0.13 -2.53 0.17 0.00 -2.00 0.00 0.00 41.25 37.02 2ctd s ASN 87 CO -0.01 -3.39 0.44 -0.55 -2.94 0.00 0.00 177.10 170.65 2ctd s SER 88 N 11.16 3.94 0.08 3.54 0.15 -1.26 -5.07 113.70 126.24 2ctd s SER 88 Ca 0.92 -3.59 0.06 0.00 0.70 0.00 0.00 55.95 54.04 2ctd s SER 88 Cb -0.14 -1.32 -0.04 0.00 -1.71 0.00 0.00 66.02 62.81 2ctd s SER 88 CO 0.15 -0.12 -0.07 -1.48 1.20 0.00 0.00 173.24 172.92 2ctd s LEU 89 N -0.99 3.15 0.86 3.45 0.05 -1.26 -5.12 118.68 118.81 2ctd s LEU 89 Ca 0.26 -0.30 -0.11 0.00 0.05 0.00 0.00 54.13 54.03 2ctd s LEU 89 Cb -0.04 -1.90 0.11 0.00 -2.05 0.00 0.00 46.19 42.30 2ctd s LEU 89 CO -0.16 0.20 1.09 -2.16 -0.55 0.00 0.00 176.35 174.77 2ctd s PRO 90 N -2.07 1.57 0.21 1.48 0.04 -1.26 -4.89 135.00 130.08 2ctd s PRO 90 Ca 0.21 0.93 -0.06 0.00 0.04 0.00 0.00 61.00 62.13 2ctd s PRO 90 Cb -0.11 -1.84 0.34 0.00 0.04 0.00 0.00 34.50 32.94 2ctd s PRO 90 CO 0.13 -2.06 1.16 -1.13 0.04 0.00 0.00 177.00 175.15 2ctd n SER 91 N -3.77 -0.27 -2.81 6.66 3.41 -1.26 -4.37 113.62 111.21 2ctd n SER 91 Ca 0.08 1.28 -0.21 0.00 -0.26 0.00 0.00 58.87 59.76 2ctd n SER 91 Cb 0.55 -0.39 -0.11 0.00 -0.26 0.00 0.00 64.21 63.99 2ctd n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctd n GLY 92 N -1.47 -0.31 3.66 5.00 0.00 -1.26 -4.84 105.19 105.97 2ctd n GLY 92 Ca 0.12 0.43 -0.29 0.00 0.00 0.00 0.00 46.02 46.29 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 5.12 0.05 0.23 1.61 0.04 -1.26 -5.07 135.00 135.72 2ctd s PRO 93 Ca 0.84 0.39 0.07 0.00 0.04 0.00 0.00 61.00 62.35 2ctd s PRO 93 Cb -0.68 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 2ctd s PRO 93 CO 0.33 -2.96 0.12 -1.54 0.04 0.00 0.00 177.00 172.98 2ctd s SER 94 N -3.52 5.23 0.07 6.66 1.04 -1.26 -5.05 113.70 116.87 2ctd s SER 94 Ca 0.66 -0.32 -0.36 0.00 0.48 0.00 0.00 55.95 56.41 2ctd s SER 94 Cb -0.17 -1.25 -0.19 0.00 0.10 0.00 0.00 66.02 64.51 2ctd s SER 94 CO 0.57 0.01 1.55 -1.28 0.98 0.00 0.00 173.24 175.08 2ctd h SER 95 N 1.92 -1.25 0.00 7.02 0.87 -2.04 -3.57 113.55 116.50 2ctd h SER 95 Ca -0.47 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2ctd h SER 95 Cb 1.23 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 63.56 2ctd h SER 95 CO 0.61 -0.74 0.00 0.61 -0.53 0.00 0.00 176.83 176.77