#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 -0.15 0.35 1.61 0.01 -1.26 -5.18 113.70 109.08 2ctd s SER 2 Ca 0.00 -0.08 -0.17 0.00 1.31 0.00 0.00 55.95 57.01 2ctd s SER 2 Cb 0.00 0.34 0.05 0.00 0.21 0.00 0.00 66.02 66.62 2ctd s SER 2 CO 0.00 -0.54 0.82 -0.44 0.41 0.00 0.00 173.24 173.48 2ctd s SER 3 N -1.75 -0.03 0.07 2.44 0.01 -1.26 -5.19 113.70 107.99 2ctd s SER 3 Ca -0.09 -1.02 -0.03 0.00 1.31 0.00 0.00 55.95 56.12 2ctd s SER 3 Cb -0.03 0.79 0.01 0.00 0.21 0.00 0.00 66.02 67.01 2ctd s SER 3 CO -0.00 -1.56 0.16 0.61 0.41 0.00 0.00 173.24 172.86 2ctd n GLY 4 N -0.54 1.73 3.24 3.44 0.00 -1.26 -5.19 105.19 106.61 2ctd n GLY 4 Ca -0.07 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 2ctd n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctd s SER 5 N -1.41 -0.17 0.20 1.61 0.01 -1.26 -5.17 113.70 107.51 2ctd s SER 5 Ca 0.03 -0.00 -0.23 0.00 1.31 0.00 0.00 55.95 57.06 2ctd s SER 5 Cb -0.01 0.32 0.06 0.00 0.21 0.00 0.00 66.02 66.60 2ctd s SER 5 CO 0.02 -0.50 0.93 -0.44 0.41 0.00 0.00 173.24 173.67 2ctd s SER 6 N -1.55 -0.12 0.00 2.44 0.01 -1.26 -5.19 113.70 108.02 2ctd s SER 6 Ca -0.11 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.58 2ctd s SER 6 Cb -0.04 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.75 2ctd s SER 6 CO 0.02 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.22 2ctd n GLY 7 N -0.53 0.39 3.57 3.44 0.00 -1.26 -5.19 105.19 105.61 2ctd n GLY 7 Ca -0.05 -0.88 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 2ctd n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ctd s ARG 8 N -2.00 0.50 0.60 1.61 3.52 -1.26 -5.18 118.95 116.74 2ctd s ARG 8 Ca 0.00 -0.11 0.06 0.00 -0.13 0.00 0.00 55.73 55.56 2ctd s ARG 8 Cb 0.00 0.23 0.09 0.00 -1.56 0.00 0.00 34.95 33.71 2ctd s ARG 8 CO 0.00 -0.20 0.83 0.96 -0.81 0.00 0.00 175.30 176.08 2ctd s ILE 9 N -2.25 2.23 0.02 4.11 -4.36 -1.26 -5.09 121.20 114.61 2ctd s ILE 9 Ca 0.06 -0.88 -0.02 0.00 -0.26 0.00 0.00 60.65 59.54 2ctd s ILE 9 Cb -0.01 -2.35 -0.01 0.00 1.25 0.00 0.00 42.46 41.35 2ctd s ILE 9 CO -0.05 0.00 -0.05 0.54 0.24 0.00 0.00 174.94 175.62 2ctd n ARG 10 N -2.37 0.07 -3.64 0.37 5.12 -1.26 -5.11 116.66 109.84 2ctd n ARG 10 Ca 0.15 0.03 -0.08 0.00 -1.93 0.00 0.00 57.85 56.02 2ctd n ARG 10 Cb 0.61 -0.46 -0.07 0.00 -1.16 0.00 0.00 32.46 31.38 2ctd n ARG 10 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2ctd s LYS 11 N -1.69 0.67 0.45 5.56 2.36 -1.26 -5.16 119.74 120.67 2ctd s LYS 11 Ca -0.04 1.05 -0.21 0.00 -2.55 0.00 0.00 55.97 54.22 2ctd s LYS 11 Cb 0.01 0.20 -0.10 0.00 -1.05 0.00 0.00 37.83 36.88 2ctd s LYS 11 CO 0.06 -0.12 0.99 -1.21 1.55 0.00 0.00 175.35 176.61 2ctd s GLU 12 N 1.22 4.04 0.61 4.03 2.02 -1.26 -5.03 118.70 124.33 2ctd s GLU 12 Ca -0.07 1.23 -0.17 0.00 0.02 0.00 0.00 54.97 55.98 2ctd s GLU 12 Cb -0.05 -2.14 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 2ctd s GLU 12 CO -0.14 -0.21 1.12 -1.25 0.02 0.00 0.00 175.26 174.80 2ctd s PRO 13 N -3.20 3.06 1.19 0.39 0.04 -1.26 -5.04 135.00 130.17 2ctd s PRO 13 Ca 0.64 1.49 -0.19 0.00 0.04 0.00 0.00 61.00 62.99 2ctd s PRO 13 Cb -0.12 -1.98 0.28 0.00 0.04 0.00 0.00 34.50 32.72 2ctd s PRO 13 CO 0.16 -1.06 1.11 -1.25 0.04 0.00 0.00 177.00 176.00 2ctd s PRO 14 N -3.72 -1.09 0.20 0.56 0.04 -1.26 -4.93 135.00 124.79 2ctd s PRO 14 Ca 0.70 -0.02 -0.12 0.00 0.04 0.00 0.00 61.00 61.59 2ctd s PRO 14 Cb -0.22 -1.61 0.24 0.00 0.04 0.00 0.00 34.50 32.95 2ctd s PRO 14 CO 0.35 -3.64 1.67 -0.24 0.04 0.00 0.00 177.00 175.18 2ctd h VAL 15 N -2.53 0.55 -2.94 -0.36 3.04 -2.06 -3.42 116.25 108.54 2ctd h VAL 15 Ca -0.46 -0.04 -0.58 0.00 -1.01 0.00 0.00 66.70 64.61 2ctd h VAL 15 Cb 1.30 0.43 0.17 0.00 -2.01 0.00 0.00 31.29 31.18 2ctd h VAL 15 CO 0.36 0.02 -0.43 -1.22 -1.01 0.00 0.00 177.57 175.29 2ctd n TYR 16 N -5.26 -0.82 -2.24 3.17 4.01 -1.26 -4.97 117.16 109.80 2ctd n TYR 16 Ca 0.07 0.43 -0.27 0.00 -0.16 0.00 0.00 57.90 57.97 2ctd n TYR 16 Cb 0.31 -1.94 0.05 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 -1.75 3.17 -0.11 -0.72 0.00 -1.26 -4.95 121.76 116.14 2ctd s ALA 17 Ca 0.68 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 2ctd s ALA 17 Cb -0.44 -2.66 0.07 0.00 0.00 0.00 0.00 23.12 20.09 2ctd s ALA 17 CO 0.55 -1.09 2.06 0.00 0.00 0.00 0.00 175.76 177.27 2ctd n ALA 18 N -2.81 4.46 0.00 0.00 0.00 -1.26 -3.84 120.51 117.06 2ctd n ALA 18 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2ctd n ALA 18 Cb 0.59 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 1.14 0.00 3.51 0.00 0.00 -1.26 -5.18 105.19 103.40 2ctd n GLY 19 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 2.88 0.03 1.61 0.01 -1.25 -5.07 113.70 111.92 2ctd s SER 20 Ca 0.00 -1.40 -0.19 0.00 1.31 0.00 0.00 55.95 55.66 2ctd s SER 20 Cb 0.00 -0.12 -0.18 0.00 0.21 0.00 0.00 66.02 65.93 2ctd s SER 20 CO 0.00 -0.59 1.22 -0.07 0.41 0.00 0.00 173.24 174.21 2ctd h LEU 21 N 1.97 0.52 -0.99 2.44 3.38 -2.01 -3.23 115.31 117.38 2ctd h LEU 21 Ca -0.41 -0.63 0.37 0.00 0.09 0.00 0.00 57.88 57.29 2ctd h LEU 21 Cb 1.25 -0.15 -0.17 0.00 0.09 0.00 0.00 40.66 41.67 2ctd h LEU 21 CO 0.72 1.06 0.47 -0.33 0.09 0.00 0.00 178.44 180.45 2ctd h GLU 22 N 0.00 0.09 -0.02 1.13 3.07 -1.97 0.47 114.58 117.35 2ctd h GLU 22 Ca -0.02 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2ctd h GLU 22 Cb 1.03 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.91 2ctd h GLU 22 CO 0.08 0.06 -0.05 1.49 -1.40 0.00 0.00 179.01 179.19 2ctd h GLU 23 N 0.09 -0.08 0.25 2.33 4.57 -1.88 0.65 114.58 120.51 2ctd h GLU 23 Ca 0.78 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.96 2ctd h GLU 23 Cb 1.92 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.51 2ctd h GLU 23 CO -0.74 -0.05 -0.25 1.96 -1.18 0.00 0.00 179.01 178.74 2ctd h GLN 24 N -0.09 -0.52 -0.68 1.92 4.20 -0.22 -2.00 115.11 117.73 2ctd h GLN 24 Ca 0.03 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.86 2ctd h GLN 24 Cb 0.13 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 2ctd h GLN 24 CO -0.07 -0.35 0.45 -1.49 -0.67 0.00 0.00 178.83 176.69 2ctd h TRP 25 N -0.54 0.63 0.36 2.96 6.55 -1.24 -2.43 115.95 122.24 2ctd h TRP 25 Ca -0.01 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.83 2ctd h TRP 25 Cb 0.50 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.60 2ctd h TRP 25 CO -0.17 0.32 -0.17 -0.92 -1.05 0.00 0.00 178.44 176.44 2ctd h TYR 26 N 0.61 -0.45 0.05 0.49 3.20 -0.18 -3.14 116.97 117.55 2ctd h TYR 26 Ca 0.30 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.18 2ctd h TYR 26 Cb 0.39 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 2ctd h TYR 26 CO -0.00 -0.28 -0.49 -0.07 -1.64 0.00 0.00 178.16 175.68 2ctd h LEU 27 N -0.48 -1.50 -1.07 2.82 3.38 -0.90 0.13 115.31 117.70 2ctd h LEU 27 Ca -0.05 0.17 0.28 0.00 0.09 0.00 0.00 57.88 58.37 2ctd h LEU 27 Cb 0.37 0.57 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 2ctd h LEU 27 CO 0.08 -0.52 1.17 -0.08 0.09 0.00 0.00 178.44 179.19 2ctd h GLU 28 N -0.67 0.00 0.05 1.13 4.57 -1.47 0.88 114.58 119.07 2ctd h GLU 28 Ca 0.02 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.92 2ctd h GLU 28 Cb 0.72 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 2ctd h GLU 28 CO -0.32 0.00 -1.50 0.82 -1.18 0.00 0.00 179.01 176.83 2ctd h ILE 29 N 0.00 0.84 0.00 2.32 2.04 -0.75 -2.03 117.51 119.94 2ctd h ILE 29 Ca 0.46 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 64.06 2ctd h ILE 29 Cb 2.81 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 41.27 2ctd h ILE 29 CO -0.00 0.55 0.00 1.33 0.00 0.00 0.00 178.15 180.02 2ctd n VAL 30 N -4.07 0.86 -0.09 1.67 0.24 0.26 0.23 118.33 117.43 2ctd n VAL 30 Ca -0.31 0.23 -0.11 0.00 -2.04 0.00 0.00 64.34 62.11 2ctd n VAL 30 Cb 0.82 -1.12 -0.12 0.00 -1.47 0.00 0.00 33.84 31.96 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 -2.09 1.52 -0.04 -1.34 2.03 0.15 -4.79 116.55 112.00 2ctd n ASP 31 Ca 0.02 -0.04 -0.07 0.00 0.52 0.00 0.00 54.79 55.22 2ctd n ASP 31 Cb 0.22 0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 41.01 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 -2.80 0.18 0.00 -0.67 4.76 -0.77 -5.05 118.16 113.80 2ctd n LYS 32 Ca -0.31 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.19 2ctd n LYS 32 Cb 0.98 -0.96 0.00 0.00 -1.84 0.00 0.00 35.03 33.21 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 2.80 1.42 3.65 0.72 0.00 0.64 -4.98 105.19 109.44 2ctd n GLY 33 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.01 -0.17 0.14 1.61 1.04 -1.25 -4.73 113.70 109.33 2ctd s SER 34 Ca 0.00 -0.75 0.11 0.00 0.48 0.00 0.00 55.95 55.79 2ctd s SER 34 Cb 0.00 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 2ctd s SER 34 CO 0.00 -1.18 -0.26 0.54 0.98 0.00 0.00 173.24 173.32 2ctd s VAL 35 N -3.96 2.31 0.36 5.02 0.11 -0.43 -3.66 120.40 120.14 2ctd s VAL 35 Ca 0.17 -1.78 0.07 0.00 -2.93 0.00 0.00 61.98 57.51 2ctd s VAL 35 Cb -0.02 -2.03 -0.01 0.00 -1.53 0.00 0.00 36.38 32.79 2ctd s VAL 35 CO 0.06 0.06 0.48 -0.55 -3.33 0.00 0.00 175.10 171.82 2ctd s SER 36 N -2.14 5.80 -0.37 3.54 0.15 -1.26 0.31 113.70 119.72 2ctd s SER 36 Ca 0.15 -0.29 -0.29 0.00 0.70 0.00 0.00 55.95 56.22 2ctd s SER 36 Cb -0.10 -1.04 0.01 0.00 -1.71 0.00 0.00 66.02 63.19 2ctd s SER 36 CO 0.07 -0.52 1.31 0.00 1.20 0.00 0.00 173.24 175.30 2ctd n PRO 38 N 7.70 0.49 -0.12 0.00 -0.04 -1.26 0.18 135.00 141.95 2ctd n PRO 38 Ca 0.15 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.37 2ctd n PRO 38 Cb 0.48 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.99 1.47 -0.03 0.52 -1.04 -1.26 -4.76 114.28 108.19 2ctd n THR 39 Ca 0.12 -0.24 0.01 0.00 -2.04 0.00 0.00 64.05 61.90 2ctd n THR 39 Cb 0.05 -1.98 -0.10 0.00 -1.82 0.00 0.00 70.33 66.48 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 -2.19 -6.13 -0.05 0.00 6.02 0.49 -4.87 117.38 110.64 2ctd n GLN 41 Ca -0.10 0.66 -0.06 0.00 -0.01 0.00 0.00 57.00 57.49 2ctd n GLN 41 Cb 0.60 -5.58 -0.06 0.00 1.02 0.00 0.00 30.24 26.22 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 1.77 -2.38 -1.58 0.00 -1.26 -4.89 120.51 107.44 2ctd n ALA 42 Ca 0.01 -0.54 -0.20 0.00 0.00 0.00 0.00 53.44 52.70 2ctd n ALA 42 Cb 0.55 0.14 -0.09 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.22 0.44 0.30 0.00 -7.23 -1.26 -5.00 120.40 105.44 2ctd s VAL 43 Ca -0.09 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.05 2ctd s VAL 43 Cb 0.03 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 2ctd s VAL 43 CO 0.32 0.00 0.40 -0.83 -0.31 0.00 0.00 175.10 174.67 2ctd s GLY 44 N -3.43 1.43 0.08 2.32 0.00 -1.25 0.42 107.32 106.89 2ctd s GLY 44 Ca 0.33 -1.51 0.04 0.00 0.00 0.00 0.00 44.72 43.58 2ctd s GLY 44 CO 0.17 -1.06 -0.12 0.50 0.00 0.00 0.00 173.10 172.60 2ctd s ARG 45 N -3.43 0.78 0.19 2.90 1.81 0.15 -4.93 118.95 116.42 2ctd s ARG 45 Ca 0.32 -1.00 -0.20 0.00 -1.72 0.00 0.00 55.73 53.14 2ctd s ARG 45 Cb 0.01 -0.63 0.14 0.00 -0.45 0.00 0.00 34.95 34.02 2ctd s ARG 45 CO 0.18 0.12 1.59 0.87 -0.68 0.00 0.00 175.30 177.39 2ctd h LYS 46 N 4.06 -0.14 -5.05 3.54 1.57 -1.86 -1.13 116.57 117.55 2ctd h LYS 46 Ca -0.39 0.01 -0.56 0.00 -1.87 0.00 0.00 60.65 57.84 2ctd h LYS 46 Cb 1.19 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 33.40 2ctd h LYS 46 CO 0.45 -0.09 -0.52 0.95 -0.57 0.00 0.00 179.45 179.67 2ctd s THR 47 N -6.04 0.63 0.10 -0.16 -4.23 -1.26 -4.08 115.64 100.60 2ctd s THR 47 Ca -0.14 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.09 2ctd s THR 47 Cb 0.16 -2.36 -0.12 0.00 1.34 0.00 0.00 72.50 71.53 2ctd s THR 47 CO 0.70 0.00 1.66 0.40 -0.54 0.00 0.00 174.62 176.84 2ctd h ILE 48 N 1.79 0.54 -0.90 2.99 2.04 -1.89 -2.71 117.51 119.37 2ctd h ILE 48 Ca -0.36 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.68 2ctd h ILE 48 Cb 1.27 0.54 -0.17 0.00 -0.74 0.00 0.00 36.82 37.72 2ctd h ILE 48 CO 0.57 0.00 -0.23 -0.62 0.00 0.00 0.00 178.15 177.88 2ctd n GLU 49 N -5.34 -0.08 0.45 2.37 1.02 -1.26 -0.72 120.64 117.08 2ctd n GLU 49 Ca -0.08 1.40 -0.20 0.00 -0.02 0.00 0.00 57.16 58.26 2ctd n GLU 49 Cb 0.25 -2.09 -0.10 0.00 -0.02 0.00 0.00 31.44 29.48 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 -1.23 -0.19 0.62 0.00 -1.87 -3.12 103.07 97.28 2ctd h GLY 50 Ca 0.43 0.47 0.09 0.00 0.00 0.00 0.00 47.33 48.32 2ctd h GLY 50 CO -0.92 -0.44 -0.28 -2.00 0.00 0.00 0.00 176.54 172.89 2ctd h LEU 51 N -1.16 -0.95 -0.87 3.11 5.85 -0.74 -1.65 115.31 118.90 2ctd h LEU 51 Ca -0.11 0.19 0.12 0.00 0.84 0.00 0.00 57.88 58.92 2ctd h LEU 51 Cb 0.90 0.48 -0.13 0.00 0.37 0.00 0.00 40.66 42.28 2ctd h LEU 51 CO 0.17 -0.29 -0.38 0.29 -0.34 0.00 0.00 178.44 177.89 2ctd n LYS 52 N -5.42 -0.25 -0.04 1.25 5.02 -0.08 0.24 118.16 118.88 2ctd n LYS 52 Ca 0.03 1.34 0.07 0.00 -2.02 0.00 0.00 58.31 57.73 2ctd n LYS 52 Cb 0.33 -1.98 0.45 0.00 -0.02 0.00 0.00 35.03 33.82 2ctd n LYS 52 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2ctd h LYS 53 N 0.00 0.49 -0.12 1.97 1.79 -1.26 0.22 116.57 119.65 2ctd h LYS 53 Ca 0.26 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.64 2ctd h LYS 53 Cb 0.48 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2ctd h LYS 53 CO -0.85 0.32 -0.19 1.25 -1.08 0.00 0.00 179.45 178.90 2ctd h HIS 54 N 0.50 0.42 0.00 -1.35 2.76 0.33 -2.99 115.15 114.83 2ctd h HIS 54 Ca 0.21 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2ctd h HIS 54 Cb 0.21 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.09 2ctd h HIS 54 CO -0.00 0.79 0.00 0.00 -1.30 0.00 0.00 177.93 177.42 2ctd n MET 55 N -4.53 0.10 -0.00 5.26 0.00 0.10 -1.84 117.12 116.21 2ctd n MET 55 Ca -0.07 0.08 -0.08 0.00 0.00 0.00 0.00 57.70 57.64 2ctd n MET 55 Cb 0.40 -1.50 0.09 0.00 0.00 0.00 0.00 33.22 32.21 2ctd n MET 55 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2ctd h GLU 56 N 0.00 0.55 -0.01 3.17 5.08 -0.43 -3.23 114.58 119.71 2ctd h GLU 56 Ca 0.00 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2ctd h GLU 56 Cb 0.35 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2ctd h GLU 56 CO 0.00 0.89 -0.01 0.09 -1.00 0.00 0.00 179.01 178.97 2ctd n ASN 57 N -4.01 1.56 -1.66 1.42 3.02 -1.19 -4.50 115.26 109.90 2ctd n ASN 57 Ca -0.02 -1.28 0.02 0.00 -0.03 0.00 0.00 54.58 53.27 2ctd n ASN 57 Cb 0.54 0.04 0.33 0.00 -0.61 0.00 0.00 39.78 40.08 2ctd n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ctd s LYS 59 N -2.90 4.37 1.13 0.00 -2.85 -1.22 -4.75 119.74 113.51 2ctd s LYS 59 Ca 0.52 1.74 -0.17 0.00 -1.00 0.00 0.00 55.97 57.06 2ctd s LYS 59 Cb 0.41 -2.89 0.25 0.00 -2.06 0.00 0.00 37.83 33.54 2ctd s LYS 59 CO 0.13 -0.02 1.11 -0.65 0.10 0.00 0.00 175.35 176.02 2ctd s GLN 60 N -1.94 -0.61 0.06 1.78 -0.21 -1.26 -5.00 119.66 112.48 2ctd s GLN 60 Ca 0.51 0.11 -0.25 0.00 0.02 0.00 0.00 55.36 55.75 2ctd s GLN 60 Cb -0.29 -1.65 -0.06 0.00 1.00 0.00 0.00 33.01 32.01 2ctd s GLN 60 CO 0.37 -3.34 0.77 -1.21 -2.12 0.00 0.00 175.29 169.76 2ctd s GLU 61 N -5.27 4.51 0.01 2.91 2.02 -1.26 -5.07 118.70 116.55 2ctd s GLU 61 Ca 0.69 1.09 0.04 0.00 0.02 0.00 0.00 54.97 56.81 2ctd s GLU 61 Cb -0.13 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 2ctd s GLU 61 CO 0.56 0.32 -0.09 1.41 0.02 0.00 0.00 175.26 177.48 2ctd s MET 62 N -0.21 2.45 0.13 1.61 -2.45 -1.26 -5.11 119.30 114.46 2ctd s MET 62 Ca 0.38 -0.78 -0.28 0.00 -1.25 0.00 0.00 55.69 53.76 2ctd s MET 62 Cb -0.21 -2.43 -0.07 0.00 1.25 0.00 0.00 34.83 33.37 2ctd s MET 62 CO 0.24 0.59 0.88 -0.06 1.05 0.00 0.00 175.02 177.71 2ctd s PHE 63 N -0.97 3.85 -0.12 4.11 0.08 -1.26 -5.05 117.98 118.62 2ctd s PHE 63 Ca 0.16 1.72 -0.04 0.00 0.12 0.00 0.00 56.93 58.90 2ctd s PHE 63 Cb -0.11 -2.93 0.05 0.00 -0.57 0.00 0.00 43.02 39.46 2ctd s PHE 63 CO 0.07 0.33 0.10 0.99 -0.10 0.00 0.00 175.22 176.61 2ctd s THR 64 N -0.46 -0.15 0.98 0.64 2.01 -1.26 -3.70 115.64 113.70 2ctd s THR 64 Ca 0.42 0.12 -0.13 0.00 0.31 0.00 0.00 61.69 62.41 2ctd s THR 64 Cb -0.23 -0.40 0.06 0.00 0.01 0.00 0.00 72.50 71.94 2ctd s THR 64 CO 0.28 -0.05 0.43 0.00 -0.69 0.00 0.00 174.62 174.59 2ctd n HIS 66 N -3.81 0.00 0.01 0.00 -0.00 -1.26 -3.56 115.22 106.60 2ctd n HIS 66 Ca 0.06 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.24 2ctd n HIS 66 Cb 0.55 -0.82 -0.00 0.00 -0.12 0.00 0.00 29.99 29.59 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 -0.03 0.07 1.57 3.86 -2.01 -3.38 115.15 115.24 2ctd h HIS 67 Ca -0.48 -0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.43 2ctd h HIS 67 Cb 1.74 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 30.20 2ctd h HIS 67 CO 0.02 -0.02 -1.69 0.00 0.86 0.00 0.00 177.93 177.11 2ctd n GLY 69 N 1.74 1.87 3.73 0.00 0.00 -1.23 -5.04 105.19 106.26 2ctd n GLY 69 Ca -0.32 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.68 1.72 -0.23 1.61 2.20 -1.26 -4.63 119.74 118.47 2ctd s LYS 70 Ca 0.00 1.33 -0.03 0.00 -0.36 0.00 0.00 55.97 56.91 2ctd s LYS 70 Cb 0.00 -1.82 0.07 0.00 -1.51 0.00 0.00 37.83 34.57 2ctd s LYS 70 CO 0.00 -2.07 0.07 -0.65 -0.36 0.00 0.00 175.35 172.33 2ctd s GLN 71 N -4.80 0.52 0.09 4.03 -0.21 -1.26 -2.06 119.66 115.97 2ctd s GLN 71 Ca 0.64 -0.51 0.06 0.00 0.02 0.00 0.00 55.36 55.56 2ctd s GLN 71 Cb -0.20 -1.91 -0.03 0.00 1.00 0.00 0.00 33.01 31.87 2ctd s GLN 71 CO 0.57 -0.77 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.30 2ctd s LEU 72 N 1.89 2.31 -0.04 2.90 1.43 -1.24 -5.06 118.68 120.87 2ctd s LEU 72 Ca 0.03 -0.68 -0.21 0.00 -1.03 0.00 0.00 54.13 52.23 2ctd s LEU 72 Cb -0.17 -0.65 -0.31 0.00 0.03 0.00 0.00 46.19 45.09 2ctd s LEU 72 CO -0.16 -0.04 0.91 -0.09 0.23 0.00 0.00 176.35 177.20 2ctd h ARG 73 N 4.05 0.32 -5.96 1.70 9.65 -2.00 -3.38 114.38 118.76 2ctd h ARG 73 Ca -0.42 -0.53 -0.61 0.00 -1.10 0.00 0.00 59.98 57.31 2ctd h ARG 73 Cb 1.19 0.20 -0.11 0.00 -1.39 0.00 0.00 29.97 29.86 2ctd h ARG 73 CO 0.42 1.25 0.48 -1.12 2.80 0.00 0.00 179.97 183.80 2ctd s SER 74 N -7.00 6.52 0.24 -3.80 0.01 -1.26 -4.90 113.70 103.51 2ctd s SER 74 Ca -0.13 0.19 -0.07 0.00 1.31 0.00 0.00 55.95 57.25 2ctd s SER 74 Cb 0.01 -2.42 0.43 0.00 0.21 0.00 0.00 66.02 64.24 2ctd s SER 74 CO 0.84 -0.91 1.66 0.25 0.41 0.00 0.00 173.24 175.49 2ctd h LEU 75 N 10.18 -0.19 0.00 2.44 5.85 -2.00 -2.72 115.31 128.88 2ctd h LEU 75 Ca -0.24 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2ctd h LEU 75 Cb 1.08 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2ctd h LEU 75 CO 0.98 -0.11 0.00 0.00 -0.34 0.00 0.00 178.44 178.96 2ctd n ALA 76 N -2.80 -0.14 -0.31 1.25 0.00 -1.26 -0.25 120.51 117.00 2ctd n ALA 76 Ca 0.13 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.74 2ctd n ALA 76 Cb 0.45 0.27 0.33 0.00 0.00 0.00 0.00 19.45 20.50 2ctd n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ctd n GLY 77 N -0.95 -1.13 0.22 0.00 0.00 -1.06 -0.01 105.19 102.26 2ctd n GLY 77 Ca 0.00 0.87 -0.15 0.00 0.00 0.00 0.00 46.02 46.74 2ctd n GLY 77 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ctd h MET 78 N 0.00 -0.47 -0.60 1.61 -1.53 -1.05 -2.32 114.93 110.58 2ctd h MET 78 Ca 0.61 0.03 0.17 0.00 -3.44 0.00 0.00 59.70 57.07 2ctd h MET 78 Cb 1.35 0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 32.48 2ctd h MET 78 CO -0.83 -0.23 0.79 0.87 0.14 0.00 0.00 176.91 177.65 2ctd h LYS 79 N -0.64 0.00 0.20 0.39 1.57 0.28 0.61 116.57 118.98 2ctd h LYS 79 Ca -0.05 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.38 2ctd h LYS 79 Cb 0.46 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.79 2ctd h LYS 79 CO 0.08 0.00 -1.68 -0.92 -0.57 0.00 0.00 179.45 176.36 2ctd h TYR 80 N 0.00 0.77 -1.08 -1.35 3.20 -0.90 -3.33 116.97 114.28 2ctd h TYR 80 Ca 0.28 -0.56 0.29 0.00 3.14 0.00 0.00 58.73 61.88 2ctd h TYR 80 Cb 1.86 -0.03 -0.10 0.00 1.54 0.00 0.00 36.73 40.01 2ctd h TYR 80 CO 0.00 1.64 0.70 1.12 -1.64 0.00 0.00 178.16 179.98 2ctd h HIS 81 N 0.12 0.60 -0.30 -3.82 2.07 0.74 0.25 115.15 114.80 2ctd h HIS 81 Ca -0.32 0.02 -0.12 0.00 -2.85 0.00 0.00 60.37 57.10 2ctd h HIS 81 Cb 2.11 -0.17 -0.00 0.00 2.57 0.00 0.00 27.41 31.92 2ctd h HIS 81 CO 0.11 0.02 -0.28 0.28 -3.07 0.00 0.00 177.93 174.98 2ctd h VAL 82 N 0.33 1.30 -0.08 6.12 2.07 -1.64 -2.33 116.25 122.01 2ctd h VAL 82 Ca 0.62 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2ctd h VAL 82 Cb 1.69 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 2ctd h VAL 82 CO -0.30 0.47 0.00 0.23 0.02 0.00 0.00 177.57 177.99 2ctd n MET 83 N -4.25 1.49 0.00 1.57 2.00 0.80 0.15 117.12 118.88 2ctd n MET 83 Ca -0.04 -0.41 0.00 0.00 0.00 0.00 0.00 57.70 57.25 2ctd n MET 83 Cb 0.47 -1.56 0.00 0.00 0.00 0.00 0.00 33.22 32.13 2ctd n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ctd n ALA 84 N 0.06 1.75 -0.01 3.04 0.00 -0.75 -4.34 120.51 120.26 2ctd n ALA 84 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.44 2ctd n ALA 84 Cb 0.35 0.18 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 2ctd n ALA 84 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ctd n ASN 85 N -1.62 0.55 0.02 0.00 3.02 -0.90 -4.67 115.26 111.65 2ctd n ASN 85 Ca 0.00 0.08 -0.01 0.00 -0.03 0.00 0.00 54.58 54.62 2ctd n ASN 85 Cb 0.36 -0.20 -0.00 0.00 -0.61 0.00 0.00 39.78 39.33 2ctd n ASN 85 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 2ctd h HIS 86 N -0.16 -0.05 -3.17 3.10 3.86 -1.46 -3.39 115.15 113.87 2ctd h HIS 86 Ca -0.08 -0.00 -0.80 0.00 -1.16 0.00 0.00 60.37 58.33 2ctd h HIS 86 Cb 0.85 0.02 -0.27 0.00 1.06 0.00 0.00 27.41 29.07 2ctd h HIS 86 CO -0.03 -0.03 0.68 0.09 0.86 0.00 0.00 177.93 179.50 2ctd n ASN 87 N -2.35 5.90 -3.48 2.45 3.02 0.12 -4.96 115.26 115.96 2ctd n ASN 87 Ca -0.01 -3.20 -0.12 0.00 -0.03 0.00 0.00 54.58 51.22 2ctd n ASN 87 Cb 0.02 -1.34 -0.03 0.00 -0.61 0.00 0.00 39.78 37.82 2ctd n ASN 87 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2ctd s SER 88 N 0.00 -0.50 0.16 6.41 0.15 -1.26 -4.13 113.70 114.54 2ctd s SER 88 Ca 0.32 0.19 -0.32 0.00 0.70 0.00 0.00 55.95 56.84 2ctd s SER 88 Cb -0.03 0.48 -0.10 0.00 -1.71 0.00 0.00 66.02 64.66 2ctd s SER 88 CO 0.01 -0.72 1.64 -0.76 1.20 0.00 0.00 173.24 174.61 2ctd s LEU 89 N -2.17 4.37 0.19 3.45 1.02 -1.26 -4.88 118.68 119.40 2ctd s LEU 89 Ca -0.00 2.69 -0.05 0.00 0.02 0.00 0.00 54.13 56.78 2ctd s LEU 89 Cb -0.01 -3.59 0.10 0.00 0.02 0.00 0.00 46.19 42.71 2ctd s LEU 89 CO -0.06 -0.89 1.54 1.55 0.02 0.00 0.00 176.35 178.51 2ctd h PRO 90 N 7.10 0.72 -0.87 1.29 0.13 -1.94 -3.26 132.00 135.18 2ctd h PRO 90 Ca -0.43 -0.38 0.15 0.00 -0.87 0.00 0.00 66.00 64.47 2ctd h PRO 90 Cb 1.20 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 2ctd h PRO 90 CO 0.93 1.00 -0.32 1.03 -0.23 0.00 0.00 178.00 180.41 2ctd h SER 91 N 0.59 -1.16 0.00 1.44 0.87 -2.02 -3.33 113.55 109.95 2ctd h SER 91 Ca 0.05 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2ctd h SER 91 Cb 0.95 0.64 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 2ctd h SER 91 CO 0.09 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 176.70 2ctd n GLY 92 N -1.50 -1.12 3.74 5.77 0.00 -1.23 -4.91 105.19 105.94 2ctd n GLY 92 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 1.80 -0.52 1.61 0.04 -1.25 -5.00 135.00 131.68 2ctd s PRO 93 Ca 0.00 1.01 -0.17 0.00 0.04 0.00 0.00 61.00 61.89 2ctd s PRO 93 Cb 0.00 -1.86 0.09 0.00 0.04 0.00 0.00 34.50 32.78 2ctd s PRO 93 CO 0.00 -1.92 0.50 -1.12 0.04 0.00 0.00 177.00 174.50 2ctd s SER 94 N -3.40 6.18 0.18 6.66 0.01 -1.26 -4.57 113.70 117.49 2ctd s SER 94 Ca 0.62 -1.43 -0.13 0.00 1.31 0.00 0.00 55.95 56.31 2ctd s SER 94 Cb -0.18 -2.22 0.13 0.00 0.21 0.00 0.00 66.02 63.96 2ctd s SER 94 CO 0.56 -0.81 1.78 -1.28 0.41 0.00 0.00 173.24 173.90 2ctd h SER 95 N 8.89 0.34 0.00 2.44 0.87 -1.86 -3.49 113.55 120.74 2ctd h SER 95 Ca -0.29 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2ctd h SER 95 Cb 1.10 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2ctd h SER 95 CO 0.97 0.24 0.00 0.61 -0.53 0.00 0.00 176.83 178.12