#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 5.25 -0.07 1.61 1.04 -1.26 -5.08 113.70 115.19 2ctd s SER 2 Ca 0.00 -1.32 -0.23 0.00 0.48 0.00 0.00 55.95 54.89 2ctd s SER 2 Cb 0.00 -1.84 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 2ctd s SER 2 CO 0.00 -0.36 0.67 -0.55 0.98 0.00 0.00 173.24 173.98 2ctd s SER 3 N 1.50 6.95 -0.53 7.02 0.15 -1.26 -4.48 113.70 123.06 2ctd s SER 3 Ca -0.01 1.15 -0.28 0.00 0.70 0.00 0.00 55.95 57.51 2ctd s SER 3 Cb -0.20 -2.39 0.04 0.00 -1.71 0.00 0.00 66.02 61.75 2ctd s SER 3 CO 0.01 -0.08 0.65 0.61 1.20 0.00 0.00 173.24 175.62 2ctd n GLY 4 N 3.07 -0.36 3.75 9.45 0.00 -1.26 -4.82 105.19 115.02 2ctd n GLY 4 Ca -0.02 1.06 -0.42 0.00 0.00 0.00 0.00 46.02 46.64 2ctd n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ctd n SER 5 N -0.70 3.57 -3.56 1.61 2.88 -1.26 -5.00 113.62 111.15 2ctd n SER 5 Ca -0.10 1.21 -0.12 0.00 -1.33 0.00 0.00 58.87 58.53 2ctd n SER 5 Cb 0.65 -1.58 -0.05 0.00 -0.75 0.00 0.00 64.21 62.47 2ctd n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ctd s SER 6 N -0.06 -0.44 0.25 -3.46 0.15 -1.26 -5.16 113.70 103.72 2ctd s SER 6 Ca 0.56 0.47 -0.26 0.00 0.70 0.00 0.00 55.95 57.42 2ctd s SER 6 Cb -0.50 0.36 -0.09 0.00 -1.71 0.00 0.00 66.02 64.08 2ctd s SER 6 CO 0.61 -0.41 0.87 -0.83 1.20 0.00 0.00 173.24 174.68 2ctd s GLY 7 N -1.14 2.89 -0.31 9.45 0.00 -1.26 -5.01 107.32 111.93 2ctd s GLY 7 Ca -0.04 0.46 -0.28 0.00 0.00 0.00 0.00 44.72 44.86 2ctd s GLY 7 CO 0.03 0.94 1.03 -1.60 0.00 0.00 0.00 173.10 173.50 2ctd s ARG 8 N -1.57 4.05 0.17 2.90 3.52 -1.26 -4.90 118.95 121.86 2ctd s ARG 8 Ca 0.43 1.00 0.17 0.00 -0.13 0.00 0.00 55.73 57.20 2ctd s ARG 8 Cb -0.22 -3.73 -0.03 0.00 -1.56 0.00 0.00 34.95 29.41 2ctd s ARG 8 CO 0.26 -0.86 1.11 0.82 -0.81 0.00 0.00 175.30 175.83 2ctd h ILE 9 N 5.70 0.56 -2.78 4.11 1.08 -2.08 -3.48 117.51 120.62 2ctd h ILE 9 Ca -0.21 -1.93 0.10 0.00 -0.39 0.00 0.00 64.86 62.43 2ctd h ILE 9 Cb 1.07 2.12 -0.07 0.00 -3.07 0.00 0.00 36.82 36.87 2ctd h ILE 9 CO 1.01 0.32 0.31 0.00 -0.69 0.00 0.00 178.15 179.10 2ctd s ARG 10 N -3.00 1.56 -0.18 2.37 1.04 -1.26 -5.18 118.95 114.30 2ctd s ARG 10 Ca 0.00 -0.85 -0.14 0.00 -1.04 0.00 0.00 55.73 53.71 2ctd s ARG 10 Cb 0.08 0.54 0.05 0.00 -2.04 0.00 0.00 34.95 33.59 2ctd s ARG 10 CO 0.78 -0.71 0.46 -1.59 -0.04 0.00 0.00 175.30 174.20 2ctd s LYS 11 N -3.70 0.50 0.22 3.89 -2.85 -1.26 -5.14 119.74 111.41 2ctd s LYS 11 Ca 0.11 0.74 -0.32 0.00 -1.00 0.00 0.00 55.97 55.50 2ctd s LYS 11 Cb -0.04 0.15 -0.13 0.00 -2.06 0.00 0.00 37.83 35.75 2ctd s LYS 11 CO 0.04 -0.10 1.46 -1.91 0.10 0.00 0.00 175.35 174.93 2ctd n GLU 12 N 3.44 2.07 -2.15 1.78 0.00 -1.26 -4.89 120.64 119.63 2ctd n GLU 12 Ca -0.17 0.74 -0.42 0.00 0.00 0.00 0.00 57.16 57.30 2ctd n GLU 12 Cb 0.56 -2.43 -0.03 0.00 0.00 0.00 0.00 31.44 29.55 2ctd n GLU 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2ctd s PRO 13 N -0.07 4.20 0.72 5.31 0.04 -1.26 -5.02 135.00 138.92 2ctd s PRO 13 Ca 0.71 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 63.64 2ctd s PRO 13 Cb -0.66 -3.89 0.18 0.00 0.04 0.00 0.00 34.50 30.17 2ctd s PRO 13 CO 0.47 -0.79 0.64 -0.35 0.04 0.00 0.00 177.00 177.01 2ctd n PRO 14 N 6.85 -2.26 -0.30 0.56 -0.04 -1.26 -4.89 135.00 133.65 2ctd n PRO 14 Ca 0.16 -1.02 0.03 0.00 -0.04 0.00 0.00 63.50 62.64 2ctd n PRO 14 Cb 0.43 -0.95 0.11 0.00 -0.04 0.00 0.00 33.50 33.05 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 -2.22 0.15 -1.83 0.52 3.04 -2.05 -3.41 116.25 110.45 2ctd h VAL 15 Ca -0.24 -0.00 -0.66 0.00 -1.01 0.00 0.00 66.70 64.79 2ctd h VAL 15 Cb 0.73 0.15 0.08 0.00 -2.01 0.00 0.00 31.29 30.24 2ctd h VAL 15 CO 0.16 0.00 0.21 -1.22 -1.01 0.00 0.00 177.57 175.71 2ctd n TYR 16 N -5.55 1.15 -1.64 3.17 4.02 -1.26 -4.83 117.16 112.22 2ctd n TYR 16 Ca 0.13 0.72 -0.43 0.00 -0.01 0.00 0.00 57.90 58.31 2ctd n TYR 16 Cb 0.43 -2.25 -0.00 0.00 -0.02 0.00 0.00 39.34 37.50 2ctd n TYR 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ctd n ALA 17 N 1.40 0.51 -2.35 -0.72 0.00 -1.26 -4.82 120.51 113.27 2ctd n ALA 17 Ca 0.15 0.33 -0.36 0.00 0.00 0.00 0.00 53.44 53.56 2ctd n ALA 17 Cb 0.23 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 2ctd n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ctd s ALA 18 N -1.14 2.63 0.00 0.00 0.00 -1.26 -3.18 121.76 118.81 2ctd s ALA 18 Ca 0.59 -2.58 0.00 0.00 0.00 0.00 0.00 51.96 49.97 2ctd s ALA 18 Cb -0.60 -4.66 0.00 0.00 0.00 0.00 0.00 23.12 17.85 2ctd s ALA 18 CO 0.60 -4.18 0.00 0.41 0.00 0.00 0.00 175.76 172.59 2ctd n GLY 19 N 5.58 4.17 3.51 0.00 0.00 -1.26 -5.13 105.19 112.06 2ctd n GLY 19 Ca 0.47 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 2ctd n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctd n SER 20 N 0.00 -0.53 -0.23 1.61 3.41 -1.19 -4.80 113.62 111.89 2ctd n SER 20 Ca 0.00 0.73 0.24 0.00 -0.26 0.00 0.00 58.87 59.58 2ctd n SER 20 Cb 0.00 -1.24 0.61 0.00 -0.26 0.00 0.00 64.21 63.31 2ctd n SER 20 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2ctd h LEU 21 N 0.21 0.23 0.39 1.04 3.38 -2.00 -1.93 115.31 116.63 2ctd h LEU 21 Ca -0.46 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2ctd h LEU 21 Cb 1.38 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 2ctd h LEU 21 CO 0.47 0.08 -0.51 -0.33 0.09 0.00 0.00 178.44 178.24 2ctd h GLU 22 N 0.23 -0.90 -0.69 1.13 3.07 -1.91 -2.01 114.58 113.50 2ctd h GLU 22 Ca 0.47 0.06 0.13 0.00 -0.50 0.00 0.00 59.36 59.52 2ctd h GLU 22 Cb 1.46 0.21 -0.13 0.00 -0.84 0.00 0.00 28.75 29.45 2ctd h GLU 22 CO -0.12 -0.60 -0.28 1.49 -1.40 0.00 0.00 179.01 178.10 2ctd h GLU 23 N -0.94 -0.08 -0.21 2.33 4.57 -1.54 -0.27 114.58 118.44 2ctd h GLU 23 Ca -0.05 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.20 2ctd h GLU 23 Cb 0.85 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.38 2ctd h GLU 23 CO -0.13 -0.06 -0.35 1.96 -1.18 0.00 0.00 179.01 179.26 2ctd h GLN 24 N -0.09 -0.36 -0.63 1.92 4.20 -1.46 -1.34 115.11 117.34 2ctd h GLN 24 Ca 0.29 0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.12 2ctd h GLN 24 Cb 0.55 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.34 2ctd h GLN 24 CO -0.74 -0.24 0.25 -1.49 -0.67 0.00 0.00 178.83 175.94 2ctd h TRP 25 N -0.37 0.44 -0.42 2.96 6.55 -0.41 -2.18 115.95 122.51 2ctd h TRP 25 Ca 0.11 0.03 0.09 0.00 0.95 0.00 0.00 58.89 60.07 2ctd h TRP 25 Cb 0.56 -0.10 -0.09 0.00 -0.86 0.00 0.00 29.16 28.67 2ctd h TRP 25 CO -0.47 0.11 -0.24 -0.92 -1.05 0.00 0.00 178.44 175.88 2ctd h TYR 26 N 0.44 -0.62 -0.36 0.49 3.20 0.01 -2.11 116.97 118.02 2ctd h TYR 26 Ca 0.32 0.05 0.06 0.00 3.14 0.00 0.00 58.73 62.30 2ctd h TYR 26 Cb 0.40 0.34 -0.08 0.00 1.54 0.00 0.00 36.73 38.92 2ctd h TYR 26 CO -0.16 -0.32 -0.45 -0.07 -1.64 0.00 0.00 178.16 175.52 2ctd h LEU 27 N -0.16 -1.50 -1.84 2.82 3.38 -0.86 0.29 115.31 117.44 2ctd h LEU 27 Ca 0.20 0.22 0.54 0.00 0.09 0.00 0.00 57.88 58.93 2ctd h LEU 27 Cb 0.47 0.64 -0.09 0.00 0.09 0.00 0.00 40.66 41.77 2ctd h LEU 27 CO -0.52 -0.39 1.27 -0.08 0.09 0.00 0.00 178.44 178.82 2ctd h GLU 28 N -0.37 0.00 0.00 1.13 4.57 -1.30 0.62 114.58 119.23 2ctd h GLU 28 Ca 0.11 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 2ctd h GLU 28 Cb 0.60 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2ctd h GLU 28 CO -0.55 0.00 -0.10 0.82 -1.18 0.00 0.00 179.01 178.01 2ctd h ILE 29 N 0.00 0.77 0.00 2.32 2.04 -0.39 -0.73 117.51 121.51 2ctd h ILE 29 Ca 0.92 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2ctd h ILE 29 Cb 3.50 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 41.06 2ctd h ILE 29 CO -0.13 0.26 0.00 -0.37 0.00 0.00 0.00 178.15 177.91 2ctd h VAL 30 N -1.00 0.00 0.01 1.67 -1.51 0.27 1.93 116.25 117.62 2ctd h VAL 30 Ca -0.02 -0.04 -0.39 0.00 -1.23 0.00 0.00 66.70 65.02 2ctd h VAL 30 Cb 0.50 0.60 -0.06 0.00 -2.13 0.00 0.00 31.29 30.20 2ctd h VAL 30 CO -0.01 0.00 -2.23 -0.67 -1.23 0.00 0.00 177.57 173.43 2ctd n ASP 31 N -2.31 1.97 -0.09 4.19 -0.08 0.18 -4.79 116.55 115.61 2ctd n ASP 31 Ca -0.01 0.22 -0.18 0.00 -1.51 0.00 0.00 54.79 53.31 2ctd n ASP 31 Cb 0.07 -0.75 -0.07 0.00 2.34 0.00 0.00 41.12 42.71 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 -3.94 0.40 0.00 -0.67 4.76 -0.29 -5.04 118.16 113.36 2ctd n LYS 32 Ca -0.46 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.14 2ctd n LYS 32 Cb 0.89 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.90 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 2.00 0.99 3.34 0.72 0.00 0.65 -4.99 105.19 107.91 2ctd n GLY 33 Ca -0.35 0.00 -0.14 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 -0.63 -0.40 -0.01 1.61 1.04 -1.25 -4.75 113.70 109.30 2ctd s SER 34 Ca 0.00 0.57 -0.05 0.00 0.48 0.00 0.00 55.95 56.95 2ctd s SER 34 Cb 0.00 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 2ctd s SER 34 CO 0.00 -0.35 0.22 0.54 0.98 0.00 0.00 173.24 174.63 2ctd s VAL 35 N -0.61 5.37 0.56 5.02 0.11 -0.33 -4.16 120.40 126.37 2ctd s VAL 35 Ca -0.07 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 2ctd s VAL 35 Cb -0.03 -3.54 0.03 0.00 -1.53 0.00 0.00 36.38 31.31 2ctd s VAL 35 CO 0.04 0.39 0.79 -0.55 -3.33 0.00 0.00 175.10 172.43 2ctd s SER 36 N -1.69 5.26 -0.42 3.54 0.15 -1.26 0.29 113.70 119.56 2ctd s SER 36 Ca 0.26 0.03 -0.29 0.00 0.70 0.00 0.00 55.95 56.65 2ctd s SER 36 Cb -0.13 -0.91 0.02 0.00 -1.71 0.00 0.00 66.02 63.30 2ctd s SER 36 CO 0.15 -1.16 1.19 0.00 1.20 0.00 0.00 173.24 174.62 2ctd n PRO 38 N 7.68 0.29 -0.13 0.00 -0.04 -1.26 0.21 135.00 141.75 2ctd n PRO 38 Ca 0.13 0.10 -0.28 0.00 -0.04 0.00 0.00 63.50 63.41 2ctd n PRO 38 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.20 1.53 -0.07 0.52 -1.04 -1.26 -4.74 114.28 108.02 2ctd n THR 39 Ca 0.08 -0.31 -0.07 0.00 -2.04 0.00 0.00 64.05 61.72 2ctd n THR 39 Cb 0.10 -1.93 -0.11 0.00 -1.82 0.00 0.00 70.33 66.58 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 -2.49 -7.28 -0.05 0.00 6.02 0.56 -4.91 117.38 109.22 2ctd n GLN 41 Ca -0.22 0.80 -0.07 0.00 -0.01 0.00 0.00 57.00 57.50 2ctd n GLN 41 Cb 0.93 -5.75 -0.05 0.00 1.02 0.00 0.00 30.24 26.40 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 -4.64 1.78 -2.36 -1.58 0.00 -1.26 -4.89 120.51 107.56 2ctd n ALA 42 Ca -0.08 -0.44 -0.20 0.00 0.00 0.00 0.00 53.44 52.73 2ctd n ALA 42 Cb 0.59 0.26 -0.09 0.00 0.00 0.00 0.00 19.45 20.21 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 -2.20 0.40 0.12 0.00 -7.23 -1.26 -4.98 120.40 105.25 2ctd s VAL 43 Ca -0.14 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 57.97 2ctd s VAL 43 Cb 0.04 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 2ctd s VAL 43 CO 0.24 0.00 0.18 -0.83 -0.31 0.00 0.00 175.10 174.38 2ctd s GLY 44 N -3.41 0.40 0.43 2.32 0.00 -1.25 0.82 107.32 106.64 2ctd s GLY 44 Ca 0.34 -0.90 0.07 0.00 0.00 0.00 0.00 44.72 44.23 2ctd s GLY 44 CO 0.17 -0.95 0.17 0.50 0.00 0.00 0.00 173.10 173.00 2ctd s ARG 45 N -3.93 2.21 0.08 2.90 1.81 0.14 -4.87 118.95 117.29 2ctd s ARG 45 Ca 0.12 -1.92 -0.31 0.00 -1.72 0.00 0.00 55.73 51.91 2ctd s ARG 45 Cb 0.05 -1.93 -0.15 0.00 -0.45 0.00 0.00 34.95 32.46 2ctd s ARG 45 CO -0.05 -0.17 1.64 0.87 -0.68 0.00 0.00 175.30 176.90 2ctd h LYS 46 N 1.39 -0.68 0.00 3.54 1.57 -1.86 -0.86 116.57 119.66 2ctd h LYS 46 Ca -0.42 0.05 -0.30 0.00 -1.87 0.00 0.00 60.65 58.10 2ctd h LYS 46 Cb 1.26 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 33.66 2ctd h LYS 46 CO 0.70 -0.46 -0.26 0.25 -0.57 0.00 0.00 179.45 179.11 2ctd n THR 47 N -5.42 0.00 -0.08 -0.16 -2.24 -1.26 -4.23 114.28 100.89 2ctd n THR 47 Ca -0.11 -1.34 -0.07 0.00 -2.27 0.00 0.00 64.05 60.27 2ctd n THR 47 Cb 0.32 0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 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 1.44 0.71 -0.36 2.28 1.08 -1.94 -2.69 117.51 118.03 2ctd h ILE 48 Ca -0.17 -0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.34 2ctd h ILE 48 Cb 0.68 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 35.06 2ctd h ILE 48 CO 0.26 0.00 -0.46 -0.33 -0.69 0.00 0.00 178.15 176.93 2ctd h GLU 49 N 0.01 -0.30 -0.91 2.37 4.39 -1.99 0.83 114.58 118.98 2ctd h GLU 49 Ca 0.14 0.02 0.23 0.00 0.34 0.00 0.00 59.36 60.09 2ctd h GLU 49 Cb 0.22 0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 28.81 2ctd h GLU 49 CO -0.30 -0.20 0.41 0.78 -1.16 0.00 0.00 179.01 178.54 2ctd h GLY 50 N -0.31 1.59 1.24 -3.84 0.00 -1.90 0.23 103.07 100.08 2ctd h GLY 50 Ca 0.06 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 2ctd h GLY 50 CO -0.50 -0.29 0.08 -2.00 0.00 0.00 0.00 176.54 173.84 2ctd h LEU 51 N 0.40 0.89 -0.24 3.11 5.85 -0.68 -2.98 115.31 121.66 2ctd h LEU 51 Ca 0.58 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 59.16 2ctd h LEU 51 Cb 1.12 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 2ctd h LEU 51 CO -0.54 0.91 -0.18 0.11 -0.34 0.00 0.00 178.44 178.40 2ctd h LYS 52 N 0.89 -0.17 0.00 1.25 1.79 0.17 0.39 116.57 120.89 2ctd h LYS 52 Ca 0.18 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2ctd h LYS 52 Cb 0.40 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2ctd h LYS 52 CO 0.01 -0.11 0.00 1.17 -1.08 0.00 0.00 179.45 179.44 2ctd n LYS 53 N -5.34 0.13 -0.10 3.15 4.81 -1.08 -0.42 118.16 119.32 2ctd n LYS 53 Ca -0.01 0.48 -0.20 0.00 -0.87 0.00 0.00 58.31 57.72 2ctd n LYS 53 Cb 0.25 -1.82 -0.11 0.00 0.02 0.00 0.00 35.03 33.38 2ctd n LYS 53 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2ctd h HIS 54 N 0.00 0.00 -0.09 5.64 2.76 -0.32 -3.38 115.15 119.76 2ctd h HIS 54 Ca 0.00 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.03 2ctd h HIS 54 Cb 0.19 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 2ctd h HIS 54 CO 0.00 1.32 -0.55 0.00 -1.30 0.00 0.00 177.93 177.41 2ctd h MET 55 N -1.00 0.26 -0.92 5.26 -0.00 -0.25 0.11 114.93 118.38 2ctd h MET 55 Ca -0.30 -0.16 0.21 0.00 -0.00 0.00 0.00 59.70 59.45 2ctd h MET 55 Cb 1.21 0.02 -0.12 0.00 -0.00 0.00 0.00 31.60 32.71 2ctd h MET 55 CO -0.18 0.74 0.46 1.05 -0.00 0.00 0.00 176.91 178.98 2ctd h GLU 56 N 0.20 0.48 0.00 -0.10 4.11 -0.93 0.53 114.58 118.88 2ctd h GLU 56 Ca 0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 2ctd h GLU 56 Cb 1.02 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 2ctd h GLU 56 CO 0.09 0.32 -1.93 0.27 0.07 0.00 0.00 179.01 177.83 2ctd n ASN 57 N -4.96 0.47 -1.58 3.06 0.23 -1.18 -4.29 115.26 107.00 2ctd n ASN 57 Ca 0.22 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.23 2ctd n ASN 57 Cb 0.64 1.85 0.20 0.00 -2.08 0.00 0.00 39.78 40.38 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 -0.04 -2.45 -3.07 0.00 2.85 0.08 -4.77 118.16 110.76 2ctd n LYS 59 Ca 0.28 -0.90 -0.44 0.00 -1.05 0.00 0.00 58.31 56.20 2ctd n LYS 59 Cb 1.05 -0.90 -0.05 0.00 -0.65 0.00 0.00 35.03 34.47 2ctd n LYS 59 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 2ctd s GLN 60 N -4.27 3.14 0.36 -1.58 0.74 -1.26 -5.03 119.66 111.76 2ctd s GLN 60 Ca 0.37 -0.86 0.06 0.00 0.05 0.00 0.00 55.36 54.98 2ctd s GLN 60 Cb -0.04 -4.13 -0.07 0.00 1.10 0.00 0.00 33.01 29.87 2ctd s GLN 60 CO 0.29 -1.37 0.02 -2.00 -0.55 0.00 0.00 175.29 171.68 2ctd s GLU 61 N 2.96 1.78 0.59 1.67 2.12 -1.26 -5.11 118.70 121.45 2ctd s GLU 61 Ca 0.17 -1.99 -0.15 0.00 0.36 0.00 0.00 54.97 53.36 2ctd s GLU 61 Cb -0.19 -1.27 -0.13 0.00 0.26 0.00 0.00 34.13 32.81 2ctd s GLU 61 CO 0.12 -0.09 -0.32 -1.33 -0.54 0.00 0.00 175.26 173.10 2ctd n MET 62 N -0.80 0.00 -0.10 4.30 2.81 -1.26 -4.89 117.12 117.17 2ctd n MET 62 Ca -0.04 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.92 2ctd n MET 62 Cb 0.66 -0.87 0.11 0.00 -0.71 0.00 0.00 33.22 32.42 2ctd n MET 62 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2ctd n PHE 63 N -1.61 0.14 -1.04 2.03 3.72 -1.26 -5.04 117.46 114.41 2ctd n PHE 63 Ca 0.04 -0.80 -0.43 0.00 -0.05 0.00 0.00 57.45 56.22 2ctd n PHE 63 Cb 0.43 -0.13 -0.10 0.00 -0.94 0.00 0.00 39.48 38.74 2ctd n PHE 63 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2ctd n THR 64 N -0.90 0.00 -1.03 4.37 -1.04 -1.26 -4.79 114.28 109.63 2ctd n THR 64 Ca 0.11 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.77 2ctd n THR 64 Cb 0.53 -0.39 0.07 0.00 -1.82 0.00 0.00 70.33 68.73 2ctd n THR 64 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ctd n HIS 66 N -2.77 0.00 0.35 0.00 8.25 -1.26 -3.28 115.22 116.50 2ctd n HIS 66 Ca 0.06 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.33 2ctd n HIS 66 Cb 0.52 -0.74 -0.09 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 -1.26 0.00 4.41 3.86 -2.00 -3.38 115.15 116.78 2ctd h HIS 67 Ca -0.41 -0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.48 2ctd h HIS 67 Cb 1.85 0.47 -0.05 0.00 1.06 0.00 0.00 27.41 30.73 2ctd h HIS 67 CO 0.01 -0.66 -2.14 0.00 0.86 0.00 0.00 177.93 175.99 2ctd n GLY 69 N 2.25 1.69 3.83 0.00 0.00 -1.21 -5.06 105.19 106.69 2ctd n GLY 69 Ca -0.37 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.41 3.82 -0.09 1.61 2.36 -1.26 -4.73 119.74 121.03 2ctd s LYS 70 Ca 0.00 1.05 0.00 0.00 -2.55 0.00 0.00 55.97 54.48 2ctd s LYS 70 Cb 0.00 -2.11 0.02 0.00 -1.05 0.00 0.00 37.83 34.69 2ctd s LYS 70 CO 0.00 -0.39 -0.08 -0.65 1.55 0.00 0.00 175.35 175.78 2ctd s GLN 71 N -3.94 1.49 -0.04 4.03 -0.21 -1.26 -1.52 119.66 118.21 2ctd s GLN 71 Ca 0.61 -0.28 -0.01 0.00 0.02 0.00 0.00 55.36 55.70 2ctd s GLN 71 Cb -0.12 -1.46 0.03 0.00 1.00 0.00 0.00 33.01 32.46 2ctd s GLN 71 CO 0.30 -0.17 0.06 -0.51 -2.12 0.00 0.00 175.29 172.85 2ctd s LEU 72 N 1.37 0.66 0.24 2.90 1.43 -1.26 -5.04 118.68 118.99 2ctd s LEU 72 Ca -0.02 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 2ctd s LEU 72 Cb -0.14 -0.03 0.46 0.00 0.03 0.00 0.00 46.19 46.51 2ctd s LEU 72 CO -0.04 -0.18 1.72 -0.09 0.23 0.00 0.00 176.35 177.99 2ctd h ARG 73 N 7.73 0.40 -6.60 1.70 2.43 -2.02 -3.41 114.38 114.60 2ctd h ARG 73 Ca -0.33 -0.02 -0.51 0.00 -0.81 0.00 0.00 59.98 58.31 2ctd h ARG 73 Cb 1.12 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 2ctd h ARG 73 CO 0.35 0.27 0.01 0.45 -1.51 0.00 0.00 179.97 179.54 2ctd s SER 74 N -5.33 6.73 -0.15 -3.80 0.15 -1.26 -5.02 113.70 105.02 2ctd s SER 74 Ca -0.12 1.14 -0.26 0.00 0.70 0.00 0.00 55.95 57.40 2ctd s SER 74 Cb 0.21 -2.32 -0.25 0.00 -1.71 0.00 0.00 66.02 61.95 2ctd s SER 74 CO 0.76 -0.14 0.63 0.25 1.20 0.00 0.00 173.24 175.94 2ctd h LEU 75 N 2.42 0.03 -0.35 3.45 5.85 -2.00 -3.31 115.31 121.40 2ctd h LEU 75 Ca -0.47 -0.87 0.03 0.00 0.84 0.00 0.00 57.88 57.41 2ctd h LEU 75 Cb 1.17 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 2ctd h LEU 75 CO 0.67 1.16 -0.25 0.00 -0.34 0.00 0.00 178.44 179.68 2ctd h ALA 76 N -0.12 -0.31 -0.53 1.25 0.00 -1.96 0.23 119.26 117.81 2ctd h ALA 76 Ca -0.10 0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.93 2ctd h ALA 76 Cb 1.13 1.08 -0.10 0.00 0.00 0.00 0.00 17.79 19.90 2ctd h ALA 76 CO -0.04 -0.47 -0.39 0.78 0.00 0.00 0.00 179.25 179.12 2ctd h GLY 77 N -0.05 -0.35 0.20 0.00 0.00 -1.99 -2.06 103.07 98.82 2ctd h GLY 77 Ca 0.06 0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.89 2ctd h GLY 77 CO -0.36 -0.18 -0.34 1.98 0.00 0.00 0.00 176.54 177.64 2ctd h MET 78 N -0.23 -0.55 -0.55 4.80 1.85 -1.36 0.05 114.93 118.94 2ctd h MET 78 Ca 0.19 0.04 0.16 0.00 -0.61 0.00 0.00 59.70 59.47 2ctd h MET 78 Cb 0.56 0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.69 2ctd h MET 78 CO -0.65 -0.36 1.01 0.87 -0.40 0.00 0.00 176.91 177.38 2ctd h LYS 79 N -0.57 0.00 0.12 0.39 1.57 -0.18 1.89 116.57 119.79 2ctd h LYS 79 Ca -0.02 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.44 2ctd h LYS 79 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2ctd h LYS 79 CO -0.12 0.00 -1.61 -0.92 -0.57 0.00 0.00 179.45 176.23 2ctd h TYR 80 N 0.00 0.44 -0.04 -1.35 3.20 -0.33 -3.32 116.97 115.58 2ctd h TYR 80 Ca 0.26 -0.32 0.01 0.00 3.14 0.00 0.00 58.73 61.82 2ctd h TYR 80 Cb 2.29 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 40.54 2ctd h TYR 80 CO 0.00 1.42 0.04 1.12 -1.64 0.00 0.00 178.16 179.10 2ctd h HIS 81 N 0.07 0.00 -0.01 -3.82 2.07 0.39 0.08 115.15 113.93 2ctd h HIS 81 Ca -0.27 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.23 2ctd h HIS 81 Cb 2.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.01 2ctd h HIS 81 CO 0.06 0.00 -0.04 0.28 -3.07 0.00 0.00 177.93 175.16 2ctd h VAL 82 N 0.00 1.49 0.00 6.12 2.07 -1.59 -1.43 116.25 122.91 2ctd h VAL 82 Ca 0.02 -1.51 -0.09 0.00 0.82 0.00 0.00 66.70 65.94 2ctd h VAL 82 Cb 0.09 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2ctd h VAL 82 CO -0.00 0.40 -0.41 0.24 0.02 0.00 0.00 177.57 177.82 2ctd h MET 83 N -0.56 0.00 0.12 1.57 2.07 -1.54 1.53 114.93 118.12 2ctd h MET 83 Ca -0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.62 2ctd h MET 83 Cb 0.67 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.41 2ctd h MET 83 CO 0.01 0.41 -0.06 0.00 1.07 0.00 0.00 176.91 178.34 2ctd h ALA 84 N 1.59 -0.16 0.00 6.32 0.00 -1.02 -2.83 119.26 123.15 2ctd h ALA 84 Ca -0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 2ctd h ALA 84 Cb 0.75 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2ctd h ALA 84 CO 0.05 -0.27 -0.83 -0.91 0.00 0.00 0.00 179.25 177.30 2ctd h ASN 85 N -0.81 0.00 -0.56 0.00 2.35 -1.26 -3.36 115.58 111.94 2ctd h ASN 85 Ca -0.02 -0.50 -0.35 0.00 -0.55 0.00 0.00 56.30 54.88 2ctd h ASN 85 Cb 0.55 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.78 2ctd h ASN 85 CO 0.03 1.23 0.42 1.41 -1.65 0.00 0.00 177.43 178.87 2ctd n HIS 86 N -4.52 1.59 -1.47 1.19 8.25 0.52 -4.95 115.22 115.84 2ctd n HIS 86 Ca -0.22 -2.00 -0.47 0.00 -0.26 0.00 0.00 57.72 54.77 2ctd n HIS 86 Cb 0.54 -1.03 -0.07 0.00 1.12 0.00 0.00 29.99 30.55 2ctd n HIS 86 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2ctd n ASN 87 N 0.39 1.94 -3.15 0.41 6.94 -1.04 -4.51 115.26 116.24 2ctd n ASN 87 Ca 0.33 0.23 0.04 0.00 -0.02 0.00 0.00 54.58 55.17 2ctd n ASN 87 Cb 0.58 -1.27 -0.01 0.00 -2.36 0.00 0.00 39.78 36.72 2ctd n ASN 87 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2ctd s SER 88 N 8.33 -1.12 -0.10 0.53 0.15 -1.26 -5.07 113.70 115.15 2ctd s SER 88 Ca 1.11 0.49 -0.30 0.00 0.70 0.00 0.00 55.95 57.95 2ctd s SER 88 Cb -0.79 1.86 0.11 0.00 -1.71 0.00 0.00 66.02 65.48 2ctd s SER 88 CO 0.45 -0.21 0.90 -1.48 1.20 0.00 0.00 173.24 174.10 2ctd s LEU 89 N 2.89 -0.44 0.00 3.45 2.34 -1.26 -5.06 118.68 120.59 2ctd s LEU 89 Ca 0.14 0.40 -0.05 0.00 0.06 0.00 0.00 54.13 54.68 2ctd s LEU 89 Cb -0.11 2.05 0.08 0.00 -0.56 0.00 0.00 46.19 47.65 2ctd s LEU 89 CO -0.20 -0.46 0.28 -0.81 -1.06 0.00 0.00 176.35 174.10 2ctd n PRO 90 N 0.59 -1.57 -2.68 1.48 -0.04 -1.26 -5.01 135.00 126.51 2ctd n PRO 90 Ca -0.12 -0.44 -0.36 0.00 -0.04 0.00 0.00 63.50 62.54 2ctd n PRO 90 Cb 0.58 -0.42 -0.05 0.00 -0.04 0.00 0.00 33.50 33.57 2ctd n PRO 90 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ctd s SER 91 N -2.26 6.95 0.35 3.54 0.01 -1.26 -5.07 113.70 115.97 2ctd s SER 91 Ca 0.18 1.89 0.04 0.00 1.31 0.00 0.00 55.95 59.37 2ctd s SER 91 Cb -0.02 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 2ctd s SER 91 CO 0.14 -0.35 0.15 -0.83 0.41 0.00 0.00 173.24 172.75 2ctd s GLY 92 N -1.75 2.33 1.23 3.44 0.00 -1.26 -5.16 107.32 106.14 2ctd s GLY 92 Ca 0.57 -1.58 -0.20 0.00 0.00 0.00 0.00 44.72 43.51 2ctd s GLY 92 CO 0.22 -1.71 1.11 2.56 0.00 0.00 0.00 173.10 175.29 2ctd s PRO 93 N -3.75 -1.47 0.62 2.90 0.04 -1.26 -5.08 135.00 127.01 2ctd s PRO 93 Ca 0.31 -0.16 0.08 0.00 0.04 0.00 0.00 61.00 61.27 2ctd s PRO 93 Cb 0.04 -1.58 0.10 0.00 0.04 0.00 0.00 34.50 33.11 2ctd s PRO 93 CO 0.17 -3.86 0.86 0.45 0.04 0.00 0.00 177.00 174.66 2ctd s SER 94 N -3.96 4.87 0.87 6.66 0.15 -1.26 -5.12 113.70 115.90 2ctd s SER 94 Ca 0.72 -0.79 -0.11 0.00 0.70 0.00 0.00 55.95 56.47 2ctd s SER 94 Cb -0.08 0.33 0.17 0.00 -1.71 0.00 0.00 66.02 64.73 2ctd s SER 94 CO 0.56 -1.52 1.21 -0.44 1.20 0.00 0.00 173.24 174.24 2ctd s SER 95 N -4.72 3.62 0.00 5.45 0.01 -1.26 -5.36 113.70 111.44 2ctd s SER 95 Ca 0.64 0.11 0.21 0.00 1.31 0.00 0.00 55.95 58.21 2ctd s SER 95 Cb -0.05 -0.30 0.16 0.00 0.21 0.00 0.00 66.02 66.04 2ctd s SER 95 CO 0.41 -2.39 1.15 0.61 0.41 0.00 0.00 173.24 173.43