#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 -0.35 0.06 1.61 1.04 -1.26 -5.19 113.70 109.62 2ctd s SER 2 Ca 0.00 -0.04 -0.27 0.00 0.48 0.00 0.00 55.95 56.12 2ctd s SER 2 Cb 0.00 0.40 0.09 0.00 0.10 0.00 0.00 66.02 66.60 2ctd s SER 2 CO 0.00 -0.65 0.98 -0.44 0.98 0.00 0.00 173.24 174.11 2ctd s SER 3 N -2.53 -0.23 0.00 7.02 0.01 -1.26 -5.19 113.70 111.52 2ctd s SER 3 Ca 0.06 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2ctd s SER 3 Cb -0.01 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2ctd s SER 3 CO -0.08 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.47 2ctd n GLY 4 N -0.38 2.00 3.75 3.44 0.00 -1.26 -5.19 105.19 107.56 2ctd n GLY 4 Ca -0.07 -0.79 0.01 0.00 0.00 0.00 0.00 46.02 45.18 2ctd n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctd s SER 5 N 0.00 -0.04 0.06 1.61 1.04 -1.26 -5.19 113.70 109.91 2ctd s SER 5 Ca 0.00 -0.21 -0.28 0.00 0.48 0.00 0.00 55.95 55.94 2ctd s SER 5 Cb 0.00 0.20 0.10 0.00 0.10 0.00 0.00 66.02 66.42 2ctd s SER 5 CO 0.00 -0.38 1.16 -0.94 0.98 0.00 0.00 173.24 174.06 2ctd s SER 6 N -3.25 -0.08 0.00 7.02 1.04 -1.26 -5.18 113.70 111.99 2ctd s SER 6 Ca 0.19 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2ctd s SER 6 Cb 0.02 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2ctd s SER 6 CO -0.02 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.25 2ctd n GLY 7 N -0.56 2.20 2.90 7.32 0.00 -1.26 -5.17 105.19 110.62 2ctd n GLY 7 Ca -0.06 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.54 0.06 -0.09 1.61 0.52 -1.26 -5.14 118.95 114.11 2ctd s ARG 8 Ca 0.00 0.23 -0.02 0.00 -0.52 0.00 0.00 55.73 55.43 2ctd s ARG 8 Cb 0.00 -0.12 0.03 0.00 0.52 0.00 0.00 34.95 35.39 2ctd s ARG 8 CO 0.00 -0.11 0.02 0.42 0.02 0.00 0.00 175.30 175.65 2ctd s ILE 9 N 0.76 0.27 0.01 1.52 -1.09 -1.26 -5.14 121.20 116.27 2ctd s ILE 9 Ca -0.06 0.06 0.05 0.00 -2.23 0.00 0.00 60.65 58.48 2ctd s ILE 9 Cb -0.08 -0.54 -0.03 0.00 -1.58 0.00 0.00 42.46 40.23 2ctd s ILE 9 CO -0.03 0.14 -0.15 -0.60 -1.23 0.00 0.00 174.94 173.07 2ctd s ARG 10 N 2.01 2.28 0.05 2.79 3.52 -1.26 -5.12 118.95 123.21 2ctd s ARG 10 Ca 0.04 -0.85 -0.28 0.00 -0.13 0.00 0.00 55.73 54.51 2ctd s ARG 10 Cb -0.13 -2.30 0.09 0.00 -1.56 0.00 0.00 34.95 31.05 2ctd s ARG 10 CO -0.05 0.57 0.92 -1.59 -0.81 0.00 0.00 175.30 174.34 2ctd s LYS 11 N -1.23 0.93 -0.11 5.12 -2.85 -1.26 -5.16 119.74 115.18 2ctd s LYS 11 Ca 0.14 -0.41 -0.03 0.00 -1.00 0.00 0.00 55.97 54.67 2ctd s LYS 11 Cb -0.11 0.38 0.05 0.00 -2.06 0.00 0.00 37.83 36.09 2ctd s LYS 11 CO 0.04 -0.42 0.07 -1.21 0.10 0.00 0.00 175.35 173.94 2ctd s GLU 12 N -3.16 0.09 0.62 1.78 2.02 -1.26 -5.15 118.70 113.64 2ctd s GLU 12 Ca 0.07 0.08 -0.16 0.00 0.02 0.00 0.00 54.97 54.98 2ctd s GLU 12 Cb -0.01 -1.28 -0.02 0.00 0.10 0.00 0.00 34.13 32.92 2ctd s GLU 12 CO -0.05 -0.51 1.12 -1.25 0.02 0.00 0.00 175.26 174.58 2ctd s PRO 13 N 2.12 2.99 1.09 0.39 0.04 -1.26 -5.04 135.00 135.33 2ctd s PRO 13 Ca 0.03 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.38 2ctd s PRO 13 Cb -0.14 -1.97 0.23 0.00 0.04 0.00 0.00 34.50 32.66 2ctd s PRO 13 CO -0.06 -1.11 1.10 -1.25 0.04 0.00 0.00 177.00 175.72 2ctd s PRO 14 N -3.82 -0.33 0.28 0.56 0.04 -1.26 -4.87 135.00 125.60 2ctd s PRO 14 Ca 0.69 0.25 0.06 0.00 0.04 0.00 0.00 61.00 62.04 2ctd s PRO 14 Cb -0.22 -1.67 0.79 0.00 0.04 0.00 0.00 34.50 33.45 2ctd s PRO 14 CO 0.37 -3.19 1.34 1.55 0.04 0.00 0.00 177.00 177.11 2ctd n VAL 15 N -4.45 -0.36 -3.35 -0.36 3.14 -1.26 -4.38 118.33 107.32 2ctd n VAL 15 Ca 0.08 1.83 -0.19 0.00 -2.96 0.00 0.00 64.34 63.11 2ctd n VAL 15 Cb 0.58 -2.76 -0.00 0.00 -1.06 0.00 0.00 33.84 30.60 2ctd n VAL 15 CO 0.00 0.00 0.00 -0.72 -6.46 0.00 0.00 176.83 169.65 2ctd s TYR 16 N -5.66 2.97 1.00 1.45 -0.85 -1.26 -5.11 117.35 109.88 2ctd s TYR 16 Ca -0.10 -0.31 -0.13 0.00 -0.52 0.00 0.00 57.07 56.01 2ctd s TYR 16 Cb 0.26 -2.12 0.19 0.00 0.38 0.00 0.00 41.96 40.67 2ctd s TYR 16 CO 0.66 -0.14 1.11 0.00 -1.52 0.00 0.00 175.55 175.67 2ctd s ALA 17 N -2.26 1.13 -0.04 9.51 0.00 -1.26 -4.89 121.76 123.94 2ctd s ALA 17 Ca 0.48 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.93 2ctd s ALA 17 Cb -0.09 -3.06 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 2ctd s ALA 17 CO 0.31 -2.78 2.50 0.00 0.00 0.00 0.00 175.76 175.79 2ctd n ALA 18 N -4.13 4.87 0.00 0.00 0.00 -1.26 -3.83 120.51 116.16 2ctd n ALA 18 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2ctd n ALA 18 Cb 0.58 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.67 0.00 3.51 0.00 0.00 -1.26 -5.18 105.19 103.93 2ctd n GLY 19 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 2ctd n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctd s SER 20 N 0.00 3.79 0.42 1.61 1.04 -1.25 -5.02 113.70 114.29 2ctd s SER 20 Ca 0.00 -0.98 0.15 0.00 0.48 0.00 0.00 55.95 55.61 2ctd s SER 20 Cb 0.00 -0.41 1.04 0.00 0.10 0.00 0.00 66.02 66.75 2ctd s SER 20 CO 0.00 0.00 1.91 -0.07 0.98 0.00 0.00 173.24 176.06 2ctd h LEU 21 N 2.17 0.41 -2.39 2.42 3.38 -2.00 0.24 115.31 119.55 2ctd h LEU 21 Ca -0.41 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.60 2ctd h LEU 21 Cb 1.26 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2ctd h LEU 21 CO 0.61 0.21 0.06 -0.33 0.09 0.00 0.00 178.44 179.08 2ctd h GLU 22 N 0.43 0.00 0.13 1.13 3.07 -1.96 -1.88 114.58 115.51 2ctd h GLU 22 Ca 0.39 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.90 2ctd h GLU 22 Cb 0.88 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.78 2ctd h GLU 22 CO -0.13 0.00 -1.86 1.49 -1.40 0.00 0.00 179.01 177.11 2ctd h GLU 23 N 0.00 0.29 -0.34 2.33 4.57 -0.84 -3.31 114.58 117.27 2ctd h GLU 23 Ca 0.03 -0.49 0.03 0.00 -1.18 0.00 0.00 59.36 57.75 2ctd h GLU 23 Cb 0.15 0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 2ctd h GLU 23 CO -0.00 1.18 0.16 1.96 -1.18 0.00 0.00 179.01 181.13 2ctd h GLN 24 N 0.08 0.32 -0.05 1.92 1.08 -0.90 -2.78 115.11 114.78 2ctd h GLN 24 Ca -0.37 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 56.83 2ctd h GLN 24 Cb 2.05 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 29.38 2ctd h GLN 24 CO 0.12 0.21 -0.10 -1.49 -0.95 0.00 0.00 178.83 176.62 2ctd h TRP 25 N 0.33 -0.26 -0.77 2.96 6.55 -1.55 -2.51 115.95 120.70 2ctd h TRP 25 Ca 0.15 0.01 0.17 0.00 0.95 0.00 0.00 58.89 60.17 2ctd h TRP 25 Cb 0.07 0.12 -0.14 0.00 -0.86 0.00 0.00 29.16 28.35 2ctd h TRP 25 CO -0.11 -0.16 -0.08 -0.92 -1.05 0.00 0.00 178.44 176.13 2ctd h TYR 26 N -0.15 -0.21 0.28 0.49 3.20 -1.59 -1.85 116.97 117.14 2ctd h TYR 26 Ca 0.06 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 2ctd h TYR 26 Cb 0.23 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 2ctd h TYR 26 CO -0.19 -0.29 -0.35 -0.07 -1.64 0.00 0.00 178.16 175.61 2ctd h LEU 27 N 0.05 -1.00 -1.62 2.82 3.38 -1.24 0.86 115.31 118.57 2ctd h LEU 27 Ca 0.41 0.09 0.48 0.00 0.09 0.00 0.00 57.88 58.95 2ctd h LEU 27 Cb 0.69 0.34 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 2ctd h LEU 27 CO -0.74 -0.44 1.15 1.21 0.09 0.00 0.00 178.44 179.71 2ctd n GLU 28 N -4.52 -0.01 -0.07 1.13 0.00 -0.72 0.99 120.64 117.45 2ctd n GLU 28 Ca -0.08 0.97 -0.19 0.00 0.00 0.00 0.00 57.16 57.87 2ctd n GLU 28 Cb 0.31 -2.17 -0.12 0.00 0.00 0.00 0.00 31.44 29.45 2ctd n GLU 28 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2ctd h ILE 29 N 0.00 1.27 0.00 6.31 2.04 -1.00 -1.88 117.51 124.26 2ctd h ILE 29 Ca 0.81 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 64.39 2ctd h ILE 29 Cb 3.14 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 41.97 2ctd h ILE 29 CO -0.09 0.49 0.00 1.33 0.00 0.00 0.00 178.15 179.88 2ctd n VAL 30 N -4.41 1.12 -0.12 1.67 0.24 0.28 0.20 118.33 117.30 2ctd n VAL 30 Ca -0.22 0.59 -0.19 0.00 -2.04 0.00 0.00 64.34 62.48 2ctd n VAL 30 Cb 0.64 -1.57 -0.11 0.00 -1.47 0.00 0.00 33.84 31.34 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 2.07 -0.10 -1.34 2.03 0.85 -4.81 116.55 113.11 2ctd n ASP 31 Ca -0.00 -0.03 -0.20 0.00 0.52 0.00 0.00 54.79 55.07 2ctd n ASP 31 Cb 0.07 -0.46 -0.07 0.00 -0.72 0.00 0.00 41.12 39.94 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 -3.41 0.46 0.00 -0.67 4.76 -0.71 -5.05 118.16 113.54 2ctd n LYS 32 Ca -0.44 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.20 2ctd n LYS 32 Cb 0.93 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.84 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 1.66 0.96 3.33 0.72 0.00 0.52 -5.00 105.19 107.38 2ctd n GLY 33 Ca -0.37 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.01 -0.30 -0.07 1.61 1.04 -1.25 -4.81 113.70 109.91 2ctd s SER 34 Ca 0.00 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.42 2ctd s SER 34 Cb 0.00 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 2ctd s SER 34 CO 0.00 -0.70 -0.08 0.54 0.98 0.00 0.00 173.24 173.98 2ctd s VAL 35 N -2.66 3.63 0.33 5.02 0.11 -0.78 -4.12 120.40 121.94 2ctd s VAL 35 Ca -0.04 -0.50 0.01 0.00 -2.93 0.00 0.00 61.98 58.51 2ctd s VAL 35 Cb -0.00 -2.49 -0.03 0.00 -1.53 0.00 0.00 36.38 32.32 2ctd s VAL 35 CO -0.04 0.59 0.53 -0.55 -3.33 0.00 0.00 175.10 172.30 2ctd s SER 36 N -0.69 6.31 -0.25 3.54 0.15 -1.26 -0.62 113.70 120.87 2ctd s SER 36 Ca 0.10 0.43 -0.29 0.00 0.70 0.00 0.00 55.95 56.90 2ctd s SER 36 Cb -0.11 -2.02 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 2ctd s SER 36 CO 0.02 -0.26 1.78 0.00 1.20 0.00 0.00 173.24 175.97 2ctd n PRO 38 N 8.10 0.38 -0.10 0.00 -0.04 -1.26 0.15 135.00 142.22 2ctd n PRO 38 Ca 0.22 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.60 2ctd n PRO 38 Cb 0.46 -1.50 -0.05 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 -1.11 1.49 -0.05 0.52 -1.04 -1.26 -4.75 114.28 108.07 2ctd n THR 39 Ca 0.10 0.04 -0.02 0.00 -2.04 0.00 0.00 64.05 62.13 2ctd n THR 39 Cb 0.08 -2.24 -0.13 0.00 -1.82 0.00 0.00 70.33 66.22 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 -2.41 -6.77 -0.06 0.00 6.02 0.39 -4.89 117.38 109.66 2ctd n GLN 41 Ca -0.17 0.75 -0.11 0.00 -0.01 0.00 0.00 57.00 57.46 2ctd n GLN 41 Cb 0.81 -5.73 -0.05 0.00 1.02 0.00 0.00 30.24 26.29 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 -4.73 1.95 -2.64 -1.58 0.00 -1.26 -4.88 120.51 107.36 2ctd n ALA 42 Ca 0.01 -0.51 -0.25 0.00 0.00 0.00 0.00 53.44 52.69 2ctd n ALA 42 Cb 0.55 0.28 -0.16 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.24 1.36 0.51 0.00 -7.23 -1.26 -4.99 120.40 106.55 2ctd s VAL 43 Ca -0.17 -0.72 0.04 0.00 -1.81 0.00 0.00 61.98 59.32 2ctd s VAL 43 Cb 0.06 -1.14 0.00 0.00 0.56 0.00 0.00 36.38 35.85 2ctd s VAL 43 CO 0.25 0.39 0.21 -0.83 -0.31 0.00 0.00 175.10 174.81 2ctd s GLY 44 N -0.25 2.64 0.23 2.32 0.00 -1.26 -2.40 107.32 108.60 2ctd s GLY 44 Ca 0.03 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 43.76 2ctd s GLY 44 CO 0.00 -2.04 0.02 0.50 0.00 0.00 0.00 173.10 171.58 2ctd s ARG 45 N -4.06 1.31 0.12 2.90 1.81 0.20 -4.96 118.95 116.28 2ctd s ARG 45 Ca 0.23 -1.67 -0.19 0.00 -1.72 0.00 0.00 55.73 52.38 2ctd s ARG 45 Cb 0.00 -0.49 -0.06 0.00 -0.45 0.00 0.00 34.95 33.96 2ctd s ARG 45 CO 0.14 -0.14 1.78 0.87 -0.68 0.00 0.00 175.30 177.27 2ctd h LYS 46 N 2.49 0.29 0.00 3.54 1.57 -1.88 -2.07 116.57 120.52 2ctd h LYS 46 Ca -0.38 -0.02 -0.28 0.00 -1.87 0.00 0.00 60.65 58.10 2ctd h LYS 46 Cb 1.22 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.40 2ctd h LYS 46 CO 0.64 0.19 -0.25 0.25 -0.57 0.00 0.00 179.45 179.71 2ctd n THR 47 N -4.93 0.00 -0.17 -0.16 -2.24 -1.26 -4.34 114.28 101.17 2ctd n THR 47 Ca -0.03 -1.31 -0.11 0.00 -2.27 0.00 0.00 64.05 60.33 2ctd n THR 47 Cb 0.03 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2ctd n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2ctd h ILE 48 N 1.49 1.27 -0.65 2.28 2.04 -1.92 -2.74 117.51 119.28 2ctd h ILE 48 Ca -0.15 -1.32 0.14 0.00 1.00 0.00 0.00 64.86 64.53 2ctd h ILE 48 Cb 0.66 1.08 -0.11 0.00 -0.74 0.00 0.00 36.82 37.71 2ctd h ILE 48 CO 0.22 0.46 0.06 -0.08 0.00 0.00 0.00 178.15 178.81 2ctd h GLU 49 N 0.84 0.16 -0.32 2.37 4.81 -1.99 0.25 114.58 120.70 2ctd h GLU 49 Ca 0.12 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 2ctd h GLU 49 Cb 0.73 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 2ctd h GLU 49 CO 0.06 0.11 -0.25 0.78 -0.73 0.00 0.00 179.01 178.98 2ctd h GLY 50 N 0.17 0.80 1.00 1.92 0.00 -1.95 -3.18 103.07 101.83 2ctd h GLY 50 Ca 0.35 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 2ctd h GLY 50 CO -0.52 0.71 0.41 -2.00 0.00 0.00 0.00 176.54 175.13 2ctd h LEU 51 N 0.50 0.79 -0.56 3.11 5.85 -0.95 -2.75 115.31 121.31 2ctd h LEU 51 Ca 0.06 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.84 2ctd h LEU 51 Cb 0.81 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.54 2ctd h LEU 51 CO 0.07 0.61 -0.06 0.11 -0.34 0.00 0.00 178.44 178.83 2ctd h LYS 52 N 0.90 0.06 0.00 1.25 1.57 -0.54 0.81 116.57 120.63 2ctd h LYS 52 Ca 0.24 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2ctd h LYS 52 Cb -0.04 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2ctd h LYS 52 CO -0.05 0.04 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 2ctd n LYS 53 N -5.31 0.16 -0.11 3.15 4.76 -1.05 -0.34 118.16 119.42 2ctd n LYS 53 Ca 0.07 0.55 -0.24 0.00 -2.87 0.00 0.00 58.31 55.82 2ctd n LYS 53 Cb 0.31 -1.92 -0.11 0.00 -1.84 0.00 0.00 35.03 31.46 2ctd n LYS 53 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2ctd n HIS 54 N -2.25 0.74 0.24 2.13 -0.00 0.24 -4.28 115.22 112.04 2ctd n HIS 54 Ca 0.00 0.32 0.11 0.00 0.46 0.00 0.00 57.72 58.62 2ctd n HIS 54 Cb 0.12 -1.07 0.53 0.00 -0.12 0.00 0.00 29.99 29.44 2ctd n HIS 54 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2ctd h MET 55 N -1.00 0.00 -0.92 1.57 -0.00 -0.26 -1.07 114.93 113.25 2ctd h MET 55 Ca -0.44 0.00 0.18 0.00 -0.00 0.00 0.00 59.70 59.44 2ctd h MET 55 Cb 1.38 0.00 -0.11 0.00 -0.00 0.00 0.00 31.60 32.88 2ctd h MET 55 CO -0.27 0.18 0.50 1.05 -0.00 0.00 0.00 176.91 178.37 2ctd h GLU 56 N 0.00 0.61 0.00 -0.10 4.11 -0.87 0.33 114.58 118.66 2ctd h GLU 56 Ca -0.00 -0.04 -0.31 0.00 0.07 0.00 0.00 59.36 59.08 2ctd h GLU 56 Cb 0.66 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 2ctd h GLU 56 CO 0.02 0.40 -2.19 0.09 0.07 0.00 0.00 179.01 177.41 2ctd n ASN 57 N -4.87 1.83 0.23 3.06 3.02 -1.17 -4.62 115.26 112.73 2ctd n ASN 57 Ca 0.21 -0.07 -0.15 0.00 -0.03 0.00 0.00 54.58 54.54 2ctd n ASN 57 Cb 0.54 0.11 -0.08 0.00 -0.61 0.00 0.00 39.78 39.74 2ctd n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ctd n LYS 59 N -5.26 0.19 -2.40 0.00 0.00 0.11 -4.90 118.16 105.91 2ctd n LYS 59 Ca -0.11 0.05 -0.24 0.00 0.00 0.00 0.00 58.31 58.01 2ctd n LYS 59 Cb 0.28 -1.68 0.09 0.00 0.00 0.00 0.00 35.03 33.72 2ctd n LYS 59 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2ctd s GLN 60 N 6.31 1.91 0.83 1.64 -2.07 -1.26 -4.94 119.66 122.07 2ctd s GLN 60 Ca 1.19 -0.68 -0.13 0.00 -1.82 0.00 0.00 55.36 53.92 2ctd s GLN 60 Cb -1.36 -2.26 0.06 0.00 -1.09 0.00 0.00 33.01 28.36 2ctd s GLN 60 CO 0.61 -1.34 0.92 -0.85 -1.32 0.00 0.00 175.29 173.32 2ctd n GLU 61 N -2.87 0.05 -4.08 9.60 0.28 -1.26 -5.04 120.64 117.33 2ctd n GLU 61 Ca 0.11 0.08 -0.13 0.00 -0.16 0.00 0.00 57.16 57.07 2ctd n GLU 61 Cb 0.60 -2.21 -0.05 0.00 1.43 0.00 0.00 31.44 31.21 2ctd n GLU 61 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2ctd s MET 62 N -3.82 1.75 0.33 3.44 -1.94 -1.26 -4.95 119.30 112.84 2ctd s MET 62 Ca 0.68 -1.63 0.03 0.00 -1.71 0.00 0.00 55.69 53.06 2ctd s MET 62 Cb -0.28 0.43 -0.02 0.00 2.01 0.00 0.00 34.83 36.97 2ctd s MET 62 CO 0.56 -0.71 0.36 -0.06 -0.01 0.00 0.00 175.02 175.15 2ctd s PHE 63 N -3.40 1.43 -0.30 -0.03 0.08 -1.26 -5.12 117.98 109.38 2ctd s PHE 63 Ca 0.30 -1.49 -0.13 0.00 0.12 0.00 0.00 56.93 55.73 2ctd s PHE 63 Cb 0.00 -0.43 0.14 0.00 -0.57 0.00 0.00 43.02 42.16 2ctd s PHE 63 CO 0.17 -0.98 0.80 0.99 -0.10 0.00 0.00 175.22 176.10 2ctd s THR 64 N -3.30 -0.64 0.89 0.64 2.01 -1.26 -4.31 115.64 109.67 2ctd s THR 64 Ca 0.36 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.26 2ctd s THR 64 Cb 0.01 -1.00 0.13 0.00 0.01 0.00 0.00 72.50 71.65 2ctd s THR 64 CO 0.24 0.00 1.12 0.00 -0.69 0.00 0.00 174.62 175.29 2ctd n HIS 66 N -4.07 0.00 0.06 0.00 -0.00 -1.26 -3.50 115.22 106.45 2ctd n HIS 66 Ca 0.10 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.22 2ctd n HIS 66 Cb 0.53 -0.72 -0.03 0.00 -0.12 0.00 0.00 29.99 29.64 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 -0.49 0.01 1.57 3.86 -2.00 -3.36 115.15 114.73 2ctd h HIS 67 Ca -0.41 0.01 -0.39 0.00 -1.16 0.00 0.00 60.37 58.42 2ctd h HIS 67 Cb 1.73 0.20 -0.07 0.00 1.06 0.00 0.00 27.41 30.34 2ctd h HIS 67 CO 0.01 -0.20 -2.44 0.00 0.86 0.00 0.00 177.93 176.16 2ctd n GLY 69 N 2.22 0.95 3.86 0.00 0.00 -1.23 -5.06 105.19 105.94 2ctd n GLY 69 Ca -0.45 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 0.10 3.84 -0.19 1.61 2.36 -1.26 -4.75 119.74 121.44 2ctd s LYS 70 Ca 0.00 0.61 -0.01 0.00 -2.55 0.00 0.00 55.97 54.02 2ctd s LYS 70 Cb 0.00 -2.33 0.05 0.00 -1.05 0.00 0.00 37.83 34.50 2ctd s LYS 70 CO 0.00 -0.08 -0.03 -0.65 1.55 0.00 0.00 175.35 176.14 2ctd s GLN 71 N -3.83 1.25 0.04 4.03 -0.21 -1.26 -1.47 119.66 118.21 2ctd s GLN 71 Ca 0.53 -0.62 0.08 0.00 0.02 0.00 0.00 55.36 55.38 2ctd s GLN 71 Cb -0.10 -2.19 -0.03 0.00 1.00 0.00 0.00 33.01 31.69 2ctd s GLN 71 CO 0.30 -0.54 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.18 2ctd s LEU 72 N 1.63 2.30 0.13 2.90 1.43 -1.26 -5.05 118.68 120.76 2ctd s LEU 72 Ca -0.02 -0.52 -0.26 0.00 -1.03 0.00 0.00 54.13 52.30 2ctd s LEU 72 Cb -0.17 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 2ctd s LEU 72 CO -0.07 0.27 1.62 0.03 0.23 0.00 0.00 176.35 178.43 2ctd h ARG 73 N 4.80 -0.40 -7.23 1.70 2.47 -1.95 -3.38 114.38 110.39 2ctd h ARG 73 Ca -0.47 0.03 -0.46 0.00 -1.26 0.00 0.00 59.98 57.82 2ctd h ARG 73 Cb 1.14 0.09 0.09 0.00 -1.65 0.00 0.00 29.97 29.65 2ctd h ARG 73 CO 0.45 -0.26 0.16 -1.12 0.56 0.00 0.00 179.97 179.76 2ctd s SER 74 N -4.89 4.29 -0.28 7.04 0.01 -1.26 -4.73 113.70 113.88 2ctd s SER 74 Ca -0.15 -0.11 -0.13 0.00 1.31 0.00 0.00 55.95 56.87 2ctd s SER 74 Cb 0.10 -0.30 -0.12 0.00 0.21 0.00 0.00 66.02 65.91 2ctd s SER 74 CO 0.66 -1.90 -0.34 -0.11 0.41 0.00 0.00 173.24 171.95 2ctd n LEU 75 N -2.96 2.04 -0.11 2.44 7.94 -1.26 -4.31 117.00 120.78 2ctd n LEU 75 Ca 0.13 0.30 -0.04 0.00 -1.11 0.00 0.00 56.01 55.29 2ctd n LEU 75 Cb 0.60 -0.83 -0.04 0.00 0.53 0.00 0.00 43.42 43.69 2ctd n LEU 75 CO 0.44 0.61 0.50 0.00 -1.11 0.00 0.00 177.39 177.83 2ctd h ALA 76 N -0.91 -0.31 -0.75 1.96 0.00 -1.98 0.18 119.26 117.44 2ctd h ALA 76 Ca -0.70 0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.38 2ctd h ALA 76 Cb 1.64 1.02 -0.14 0.00 0.00 0.00 0.00 17.79 20.31 2ctd h ALA 76 CO -0.40 -0.44 -0.26 0.78 0.00 0.00 0.00 179.25 178.93 2ctd h GLY 77 N -0.06 0.30 0.33 0.00 0.00 -2.00 -1.89 103.07 99.76 2ctd h GLY 77 Ca 0.04 0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 2ctd h GLY 77 CO -0.29 -0.26 -0.24 1.98 0.00 0.00 0.00 176.54 177.73 2ctd h MET 78 N -0.05 -0.53 -0.81 4.80 -1.53 -1.38 -1.40 114.93 114.03 2ctd h MET 78 Ca 0.33 0.04 0.23 0.00 -3.44 0.00 0.00 59.70 56.86 2ctd h MET 78 Cb 0.57 0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.71 2ctd h MET 78 CO -0.79 -0.35 1.14 0.87 0.14 0.00 0.00 176.91 177.92 2ctd h LYS 79 N -0.55 0.00 0.15 0.39 1.57 -0.18 2.10 116.57 120.05 2ctd h LYS 79 Ca -0.04 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.41 2ctd h LYS 79 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2ctd h LYS 79 CO 0.02 0.00 -1.61 -0.92 -0.57 0.00 0.00 179.45 176.37 2ctd h TYR 80 N 0.00 0.56 -0.18 -1.35 5.03 -0.52 -3.31 116.97 117.20 2ctd h TYR 80 Ca 0.38 -0.41 0.05 0.00 2.58 0.00 0.00 58.73 61.34 2ctd h TYR 80 Cb 2.66 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 40.91 2ctd h TYR 80 CO 0.00 1.49 0.17 1.12 -1.32 0.00 0.00 178.16 179.62 2ctd h HIS 81 N 0.08 0.00 0.03 -3.82 2.07 0.44 -0.18 115.15 113.78 2ctd h HIS 81 Ca -0.28 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.24 2ctd h HIS 81 Cb 2.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.03 2ctd h HIS 81 CO 0.08 0.00 -0.01 0.28 -3.07 0.00 0.00 177.93 175.20 2ctd h VAL 82 N 0.00 1.37 0.00 6.12 2.07 -1.59 -0.79 116.25 123.44 2ctd h VAL 82 Ca 0.09 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 2ctd h VAL 82 Cb 0.42 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2ctd h VAL 82 CO -0.00 0.34 -0.05 0.24 0.02 0.00 0.00 177.57 178.12 2ctd h MET 83 N -0.64 0.00 0.00 1.57 2.07 -1.51 0.62 114.93 117.04 2ctd h MET 83 Ca -0.00 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.61 2ctd h MET 83 Cb 0.59 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.32 2ctd h MET 83 CO 0.01 0.05 -0.13 0.00 1.07 0.00 0.00 176.91 177.91 2ctd h ALA 84 N 1.95 0.02 0.00 6.32 0.00 -1.02 -3.30 119.26 123.22 2ctd h ALA 84 Ca -0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2ctd h ALA 84 Cb 0.48 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2ctd h ALA 84 CO 0.01 0.09 -0.39 -0.91 0.00 0.00 0.00 179.25 178.04 2ctd h ASN 85 N -1.00 0.00 -0.55 0.00 2.35 -1.13 -3.37 115.58 111.89 2ctd h ASN 85 Ca -0.03 -0.31 -0.34 0.00 -0.55 0.00 0.00 56.30 55.07 2ctd h ASN 85 Cb 0.61 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.86 2ctd h ASN 85 CO -0.02 0.87 0.04 1.41 -1.65 0.00 0.00 177.43 178.09 2ctd n HIS 86 N -4.63 0.85 -2.17 1.19 8.25 0.22 -4.93 115.22 114.00 2ctd n HIS 86 Ca -0.10 -1.72 -0.43 0.00 -0.26 0.00 0.00 57.72 55.21 2ctd n HIS 86 Cb 0.31 -1.43 -0.02 0.00 1.12 0.00 0.00 29.99 29.96 2ctd n HIS 86 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2ctd s ASN 87 N 1.11 6.53 0.37 0.41 3.84 -1.18 -4.53 114.94 121.50 2ctd s ASN 87 Ca 0.60 1.69 0.08 0.00 0.21 0.00 0.00 52.86 55.44 2ctd s ASN 87 Cb 0.34 -2.53 -0.07 0.00 -0.55 0.00 0.00 41.25 38.44 2ctd s ASN 87 CO -0.11 -1.12 0.00 -0.44 -2.79 0.00 0.00 177.10 172.64 2ctd s SER 88 N 3.63 3.99 0.39 -4.21 0.01 -1.26 -5.08 113.70 111.15 2ctd s SER 88 Ca 0.68 -1.18 -0.23 0.00 1.31 0.00 0.00 55.95 56.52 2ctd s SER 88 Cb -0.25 -0.43 -0.14 0.00 0.21 0.00 0.00 66.02 65.41 2ctd s SER 88 CO 0.27 -0.34 0.49 0.00 0.41 0.00 0.00 173.24 174.07 2ctd n LEU 89 N -0.95 -0.55 0.00 2.44 -0.00 -1.26 -4.95 117.00 111.73 2ctd n LEU 89 Ca -0.04 0.93 -0.21 0.00 -0.00 0.00 0.00 56.01 56.69 2ctd n LEU 89 Cb 0.64 -1.07 0.17 0.00 -0.00 0.00 0.00 43.42 43.17 2ctd n LEU 89 CO 0.45 -3.03 0.42 -0.81 -0.00 0.00 0.00 177.39 174.42 2ctd n PRO 90 N 0.78 -2.51 -1.18 1.47 -0.04 -1.26 -4.82 135.00 127.43 2ctd n PRO 90 Ca 0.12 -1.21 -0.46 0.00 -0.04 0.00 0.00 63.50 61.90 2ctd n PRO 90 Cb 0.38 -1.14 -0.07 0.00 -0.04 0.00 0.00 33.50 32.63 2ctd n PRO 90 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ctd n SER 91 N -4.31 0.58 0.00 3.54 7.64 -1.26 -4.65 113.62 115.16 2ctd n SER 91 Ca 0.11 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.82 2ctd n SER 91 Cb 0.41 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2ctd n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctd n GLY 92 N 2.26 -0.60 3.76 0.23 0.00 -1.26 -5.13 105.19 104.45 2ctd n GLY 92 Ca 0.19 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.14 4.46 0.59 1.61 0.04 -1.26 -5.01 135.00 134.28 2ctd s PRO 93 Ca 0.00 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.93 2ctd s PRO 93 Cb 0.00 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 2ctd s PRO 93 CO 0.00 -0.06 1.07 0.45 0.04 0.00 0.00 177.00 178.50 2ctd s SER 94 N -0.50 5.71 -0.21 6.66 0.15 -1.26 -5.01 113.70 119.24 2ctd s SER 94 Ca 0.48 1.91 -0.17 0.00 0.70 0.00 0.00 55.95 58.87 2ctd s SER 94 Cb -0.37 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.46 2ctd s SER 94 CO 0.47 -1.22 0.55 -0.44 1.20 0.00 0.00 173.24 173.80 2ctd s SER 95 N -2.52 -0.61 0.00 5.45 0.01 -1.26 -5.20 113.70 109.57 2ctd s SER 95 Ca 0.66 1.13 0.00 0.00 1.31 0.00 0.00 55.95 59.05 2ctd s SER 95 Cb -0.18 1.10 0.00 0.00 0.21 0.00 0.00 66.02 67.15 2ctd s SER 95 CO 0.34 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.41