#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 -0.13 0.18 1.61 0.01 -1.26 -5.19 113.70 108.92 2ctd s SER 2 Ca 0.00 -0.18 -0.23 0.00 1.31 0.00 0.00 55.95 56.85 2ctd s SER 2 Cb 0.00 0.27 0.07 0.00 0.21 0.00 0.00 66.02 66.57 2ctd s SER 2 CO 0.00 -0.48 0.98 -0.44 0.41 0.00 0.00 173.24 173.71 2ctd s SER 3 N -2.80 -0.10 0.36 2.44 0.01 -1.26 -5.19 113.70 107.16 2ctd s SER 3 Ca 0.12 -0.55 -0.08 0.00 1.31 0.00 0.00 55.95 56.75 2ctd s SER 3 Cb 0.02 0.51 0.03 0.00 0.21 0.00 0.00 66.02 66.79 2ctd s SER 3 CO -0.03 -0.98 0.62 0.61 0.41 0.00 0.00 173.24 173.88 2ctd n GLY 4 N -0.56 1.55 3.73 3.44 0.00 -1.26 -5.19 105.19 106.90 2ctd n GLY 4 Ca -0.05 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.06 0.15 0.01 1.61 0.15 -1.26 -5.19 113.70 106.11 2ctd s SER 5 Ca 0.22 -1.11 -0.29 0.00 0.70 0.00 0.00 55.95 55.46 2ctd s SER 5 Cb -0.03 0.77 0.11 0.00 -1.71 0.00 0.00 66.02 65.16 2ctd s SER 5 CO 0.16 -1.50 1.24 -0.94 1.20 0.00 0.00 173.24 173.40 2ctd s SER 6 N -3.08 -0.06 0.30 5.45 1.04 -1.26 -5.19 113.70 110.89 2ctd s SER 6 Ca 0.19 -0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.45 2ctd s SER 6 Cb -0.04 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 2ctd s SER 6 CO 0.12 -0.39 0.34 0.61 0.98 0.00 0.00 173.24 174.90 2ctd n GLY 7 N -0.54 2.62 3.46 7.32 0.00 -1.26 -5.19 105.19 111.61 2ctd n GLY 7 Ca -0.07 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.92 1.32 0.79 1.61 0.52 -1.26 -5.18 118.95 113.84 2ctd s ARG 8 Ca 0.30 -1.05 -0.10 0.00 -0.52 0.00 0.00 55.73 54.36 2ctd s ARG 8 Cb 0.00 0.45 0.10 0.00 0.52 0.00 0.00 34.95 36.03 2ctd s ARG 8 CO 0.21 -0.53 1.13 0.96 0.02 0.00 0.00 175.30 177.09 2ctd s ILE 9 N -3.93 2.12 0.00 1.52 -0.00 -1.26 -5.06 121.20 114.59 2ctd s ILE 9 Ca 0.14 -0.16 0.00 0.00 -0.00 0.00 0.00 60.65 60.63 2ctd s ILE 9 Cb 0.01 -2.96 0.00 0.00 -0.00 0.00 0.00 42.46 39.51 2ctd s ILE 9 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 174.94 173.80 2ctd n ARG 10 N -3.21 0.00 -4.03 0.37 0.63 -1.26 -5.16 116.66 104.00 2ctd n ARG 10 Ca 0.10 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.90 2ctd n ARG 10 Cb 0.60 -0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.48 2ctd n ARG 10 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2ctd s LYS 11 N -1.00 1.89 -0.04 -0.14 -0.14 -1.26 -5.17 119.74 113.88 2ctd s LYS 11 Ca 0.00 -1.62 0.01 0.00 -1.36 0.00 0.00 55.97 53.00 2ctd s LYS 11 Cb 0.00 0.47 0.02 0.00 -1.68 0.00 0.00 37.83 36.64 2ctd s LYS 11 CO 0.00 -0.80 -0.05 -1.21 -0.76 0.00 0.00 175.35 172.53 2ctd s GLU 12 N -3.12 0.78 0.00 1.68 0.41 -1.26 -5.12 118.70 112.08 2ctd s GLU 12 Ca 0.27 -0.14 -0.30 0.00 -0.41 0.00 0.00 54.97 54.39 2ctd s GLU 12 Cb -0.01 -0.78 -0.06 0.00 -1.78 0.00 0.00 34.13 31.50 2ctd s GLU 12 CO 0.17 -0.03 1.45 -1.25 -0.49 0.00 0.00 175.26 175.11 2ctd s PRO 13 N 0.68 4.26 1.10 0.39 0.04 -1.26 -5.02 135.00 135.19 2ctd s PRO 13 Ca -0.09 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 62.82 2ctd s PRO 13 Cb -0.12 -3.60 0.24 0.00 0.04 0.00 0.00 34.50 31.05 2ctd s PRO 13 CO 0.00 -0.62 1.10 -1.25 0.04 0.00 0.00 177.00 176.28 2ctd s PRO 14 N 2.56 -0.36 0.39 0.56 0.04 -1.26 -4.87 135.00 132.05 2ctd s PRO 14 Ca 0.65 0.24 0.22 0.00 0.04 0.00 0.00 61.00 62.15 2ctd s PRO 14 Cb -0.32 -1.67 1.27 0.00 0.04 0.00 0.00 34.50 33.82 2ctd s PRO 14 CO 0.27 -3.20 1.64 -0.24 0.04 0.00 0.00 177.00 175.51 2ctd h VAL 15 N -2.22 0.19 -2.48 -0.36 3.04 -2.03 -3.40 116.25 108.98 2ctd h VAL 15 Ca -0.51 -0.06 -0.45 0.00 -1.01 0.00 0.00 66.70 64.67 2ctd h VAL 15 Cb 1.32 -0.00 0.02 0.00 -2.01 0.00 0.00 31.29 30.62 2ctd h VAL 15 CO 0.47 0.03 -0.16 -0.72 -1.01 0.00 0.00 177.57 176.18 2ctd s TYR 16 N -5.48 3.18 0.89 3.17 -0.85 -1.26 -5.10 117.35 111.90 2ctd s TYR 16 Ca -0.09 0.10 -0.13 0.00 -0.52 0.00 0.00 57.07 56.43 2ctd s TYR 16 Cb 0.30 -2.23 0.13 0.00 0.38 0.00 0.00 41.96 40.54 2ctd s TYR 16 CO 0.80 -0.27 1.18 0.00 -1.52 0.00 0.00 175.55 175.74 2ctd s ALA 17 N -2.45 2.16 -1.27 9.51 0.00 -1.26 -4.96 121.76 123.50 2ctd s ALA 17 Ca 0.48 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 2ctd s ALA 17 Cb -0.10 -2.95 0.15 0.00 0.00 0.00 0.00 23.12 20.22 2ctd s ALA 17 CO 0.36 -2.11 1.70 0.00 0.00 0.00 0.00 175.76 175.71 2ctd n ALA 18 N -3.62 4.59 0.00 0.00 0.00 -1.26 -3.88 120.51 116.33 2ctd n ALA 18 Ca 0.09 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.31 2ctd n ALA 18 Cb 0.60 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.95 2ctd n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ctd n GLY 19 N 3.66 0.59 3.76 0.00 0.00 -1.26 -5.17 105.19 106.78 2ctd n GLY 19 Ca 0.40 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.06 4.08 -0.03 1.61 0.01 -1.25 -5.08 113.70 111.98 2ctd s SER 20 Ca 0.00 -1.69 -0.23 0.00 1.31 0.00 0.00 55.95 55.34 2ctd s SER 20 Cb 0.00 0.62 -0.17 0.00 0.21 0.00 0.00 66.02 66.68 2ctd s SER 20 CO 0.00 -0.90 1.02 -0.07 0.41 0.00 0.00 173.24 173.70 2ctd h LEU 21 N 1.33 -0.19 -0.81 2.44 3.38 -2.01 -3.22 115.31 116.23 2ctd h LEU 21 Ca -0.43 -0.34 0.32 0.00 0.09 0.00 0.00 57.88 57.52 2ctd h LEU 21 Cb 1.32 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.97 2ctd h LEU 21 CO 0.72 0.31 0.37 -0.62 0.09 0.00 0.00 178.44 179.32 2ctd n GLU 22 N -4.96 -0.05 0.06 1.13 1.02 -1.26 0.15 120.64 116.73 2ctd n GLU 22 Ca -0.08 1.14 -0.12 0.00 -0.02 0.00 0.00 57.16 58.07 2ctd n GLU 22 Cb 0.26 -2.01 -0.07 0.00 -0.02 0.00 0.00 31.44 29.61 2ctd n GLU 22 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2ctd h GLU 23 N 0.00 -0.06 0.51 3.49 4.81 -1.86 -0.75 114.58 120.72 2ctd h GLU 23 Ca 0.66 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.88 2ctd h GLU 23 Cb 1.71 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.09 2ctd h GLU 23 CO -0.65 -0.04 -0.35 1.96 -0.73 0.00 0.00 179.01 179.20 2ctd h GLN 24 N -0.06 -0.80 -0.87 1.92 4.20 0.12 -2.43 115.11 117.19 2ctd h GLN 24 Ca -0.01 0.05 0.16 0.00 0.06 0.00 0.00 58.65 58.92 2ctd h GLN 24 Cb 0.05 0.18 -0.10 0.00 0.30 0.00 0.00 27.48 27.91 2ctd h GLN 24 CO 0.01 -0.54 0.45 -1.49 -0.67 0.00 0.00 178.83 176.59 2ctd h TRP 25 N -0.83 0.78 -0.41 2.96 6.55 -1.32 -0.93 115.95 122.75 2ctd h TRP 25 Ca -0.06 0.04 0.06 0.00 0.95 0.00 0.00 58.89 59.88 2ctd h TRP 25 Cb 0.69 -0.22 -0.06 0.00 -0.86 0.00 0.00 29.16 28.72 2ctd h TRP 25 CO -0.12 0.16 0.09 -0.92 -1.05 0.00 0.00 178.44 176.59 2ctd h TYR 26 N 0.61 0.14 0.06 0.49 3.20 -0.77 -2.61 116.97 118.10 2ctd h TYR 26 Ca 0.49 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.41 2ctd h TYR 26 Cb 0.74 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.97 2ctd h TYR 26 CO -0.09 0.02 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.15 2ctd h LEU 27 N 0.22 -0.66 -1.16 2.82 3.38 -0.71 0.01 115.31 119.21 2ctd h LEU 27 Ca 0.20 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.35 2ctd h LEU 27 Cb 0.24 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2ctd h LEU 27 CO -0.26 -0.31 0.77 -0.08 0.09 0.00 0.00 178.44 178.66 2ctd h GLU 28 N -0.40 0.00 0.00 1.13 4.81 -1.12 0.18 114.58 119.18 2ctd h GLU 28 Ca 0.04 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2ctd h GLU 28 Cb 0.45 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2ctd h GLU 28 CO -0.17 0.00 -0.76 -0.89 -0.73 0.00 0.00 179.01 176.47 2ctd n ILE 29 N -3.01 1.45 0.15 2.32 5.41 -0.13 -2.30 119.36 123.25 2ctd n ILE 29 Ca 0.06 0.15 0.09 0.00 1.00 0.00 0.00 62.75 64.05 2ctd n ILE 29 Cb 0.89 -2.31 0.48 0.00 -0.71 0.00 0.00 39.64 37.99 2ctd n ILE 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2ctd n VAL 30 N -4.56 0.93 -0.13 1.39 0.24 -0.42 0.23 118.33 116.02 2ctd n VAL 30 Ca -0.14 0.73 -0.19 0.00 -2.04 0.00 0.00 64.34 62.70 2ctd n VAL 30 Cb 0.39 -1.73 -0.11 0.00 -1.47 0.00 0.00 33.84 30.91 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 -2.14 2.03 -0.07 -1.34 2.03 0.51 -4.82 116.55 112.75 2ctd n ASP 31 Ca -0.01 -0.09 -0.15 0.00 0.52 0.00 0.00 54.79 55.06 2ctd n ASP 31 Cb 0.13 -0.44 -0.05 0.00 -0.72 0.00 0.00 41.12 40.05 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 -3.33 0.36 0.00 -0.67 4.76 -0.61 -5.05 118.16 113.61 2ctd n LYS 32 Ca -0.45 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.14 2ctd n LYS 32 Cb 0.96 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 33.05 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 2.01 0.76 3.78 0.72 0.00 0.63 -4.99 105.19 108.10 2ctd n GLY 33 Ca -0.26 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -0.20 0.07 1.61 1.04 -1.25 -4.72 113.70 110.23 2ctd s SER 34 Ca 0.00 -0.71 0.08 0.00 0.48 0.00 0.00 55.95 55.80 2ctd s SER 34 Cb 0.00 0.69 -0.03 0.00 0.10 0.00 0.00 66.02 66.78 2ctd s SER 34 CO 0.00 -1.29 -0.22 0.54 0.98 0.00 0.00 173.24 173.25 2ctd s VAL 35 N -3.93 1.78 0.30 5.02 0.11 -0.55 -3.76 120.40 119.37 2ctd s VAL 35 Ca 0.15 -1.35 -0.00 0.00 -2.93 0.00 0.00 61.98 57.84 2ctd s VAL 35 Cb -0.04 -1.56 -0.04 0.00 -1.53 0.00 0.00 36.38 33.20 2ctd s VAL 35 CO 0.08 0.15 0.50 -0.55 -3.33 0.00 0.00 175.10 171.95 2ctd s SER 36 N -1.44 6.34 -0.27 3.54 0.15 -1.26 -0.10 113.70 120.66 2ctd s SER 36 Ca 0.08 0.46 -0.29 0.00 0.70 0.00 0.00 55.95 56.91 2ctd s SER 36 Cb -0.09 -2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 2ctd s SER 36 CO 0.03 -0.21 1.83 0.00 1.20 0.00 0.00 173.24 176.09 2ctd n PRO 38 N 8.27 0.32 -0.08 0.00 -0.04 -1.26 0.12 135.00 142.33 2ctd n PRO 38 Ca 0.23 0.09 -0.12 0.00 -0.04 0.00 0.00 63.50 63.65 2ctd n PRO 38 Cb 0.46 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.17 1.40 -0.05 0.52 -1.04 -1.26 -4.76 114.28 107.91 2ctd n THR 39 Ca 0.09 0.04 -0.08 0.00 -2.04 0.00 0.00 64.05 62.07 2ctd n THR 39 Cb 0.09 -2.11 -0.15 0.00 -1.82 0.00 0.00 70.33 66.35 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 -2.85 -5.75 0.00 0.00 6.02 0.33 -4.89 117.38 110.24 2ctd n GLN 41 Ca -0.23 0.68 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 2ctd n GLN 41 Cb 1.06 -5.46 0.00 0.00 1.02 0.00 0.00 30.24 26.86 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 -4.44 2.00 -2.85 -1.58 0.00 -1.26 -4.90 120.51 107.48 2ctd n ALA 42 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 2ctd n ALA 42 Cb 0.63 0.48 -0.13 0.00 0.00 0.00 0.00 19.45 20.43 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 -1.96 0.34 0.48 0.00 -7.23 -1.26 -4.98 120.40 105.78 2ctd s VAL 43 Ca 0.00 -0.57 0.03 0.00 -1.81 0.00 0.00 61.98 59.63 2ctd s VAL 43 Cb 0.00 -0.36 0.03 0.00 0.56 0.00 0.00 36.38 36.61 2ctd s VAL 43 CO 0.00 -0.16 0.23 0.61 -0.31 0.00 0.00 175.10 175.47 2ctd n GLY 44 N 2.27 3.09 3.14 2.32 0.00 -1.25 -1.91 105.19 112.84 2ctd n GLY 44 Ca -0.18 -2.31 -0.11 0.00 0.00 0.00 0.00 46.02 43.42 2ctd n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctd s ARG 45 N -3.90 0.74 0.14 1.61 1.81 0.85 -4.93 118.95 115.27 2ctd s ARG 45 Ca 0.18 -1.15 -0.21 0.00 -1.72 0.00 0.00 55.73 52.83 2ctd s ARG 45 Cb -0.01 -0.24 0.01 0.00 -0.45 0.00 0.00 34.95 34.25 2ctd s ARG 45 CO 0.11 0.01 1.66 0.87 -0.68 0.00 0.00 175.30 177.27 2ctd h LYS 46 N 3.47 -0.14 -5.17 3.54 1.57 -1.87 -1.45 116.57 116.53 2ctd h LYS 46 Ca -0.36 0.01 -0.41 0.00 -1.87 0.00 0.00 60.65 58.02 2ctd h LYS 46 Cb 1.18 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.38 2ctd h LYS 46 CO 0.57 -0.09 -0.65 0.95 -0.57 0.00 0.00 179.45 179.66 2ctd s THR 47 N -6.15 1.13 0.35 -0.16 -4.23 -1.26 -4.26 115.64 101.05 2ctd s THR 47 Ca -0.14 -2.04 0.10 0.00 -1.18 0.00 0.00 61.69 58.43 2ctd s THR 47 Cb 0.11 -2.48 0.33 0.00 1.34 0.00 0.00 72.50 71.81 2ctd s THR 47 CO 0.68 -0.23 1.80 0.40 -0.54 0.00 0.00 174.62 176.74 2ctd h ILE 48 N 2.36 0.69 -0.13 2.99 2.04 -1.92 -1.88 117.51 121.66 2ctd h ILE 48 Ca -0.39 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.30 2ctd h ILE 48 Cb 1.23 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.25 2ctd h ILE 48 CO 0.66 0.12 -0.41 -0.33 0.00 0.00 0.00 178.15 178.18 2ctd h GLU 49 N 0.63 -0.46 -0.99 2.37 5.08 -1.97 0.18 114.58 119.41 2ctd h GLU 49 Ca 0.54 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.99 2ctd h GLU 49 Cb 1.01 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 2ctd h GLU 49 CO -0.30 -0.31 0.64 0.78 -1.00 0.00 0.00 179.01 178.82 2ctd h GLY 50 N -0.48 1.49 0.88 -3.84 0.00 -1.74 -2.70 103.07 96.68 2ctd h GLY 50 Ca 0.08 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 2ctd h GLY 50 CO -0.40 0.35 -0.18 -2.00 0.00 0.00 0.00 176.54 174.32 2ctd h LEU 51 N 1.18 -0.42 -0.58 3.11 5.85 -1.01 -1.88 115.31 121.56 2ctd h LEU 51 Ca 0.42 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.17 2ctd h LEU 51 Cb 0.13 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.16 2ctd h LEU 51 CO -0.16 -0.20 -0.39 0.11 -0.34 0.00 0.00 178.44 177.46 2ctd h LYS 52 N -0.63 -0.19 -0.17 1.25 1.57 -0.46 0.61 116.57 118.55 2ctd h LYS 52 Ca -0.05 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2ctd h LYS 52 Cb 0.46 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2ctd h LYS 52 CO 0.08 -0.13 0.11 -0.22 -0.57 0.00 0.00 179.45 178.73 2ctd h LYS 53 N -0.20 0.15 0.23 3.15 1.63 -1.46 0.18 116.57 120.26 2ctd h LYS 53 Ca 0.20 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 2ctd h LYS 53 Cb 0.56 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 2ctd h LYS 53 CO -0.69 0.10 -0.11 1.25 -3.45 0.00 0.00 179.45 176.55 2ctd h HIS 54 N 0.15 -0.29 0.00 1.91 2.76 0.86 -3.18 115.15 117.36 2ctd h HIS 54 Ca 0.07 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 2ctd h HIS 54 Cb 0.09 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 2ctd h HIS 54 CO -0.00 0.09 -0.05 0.00 -1.30 0.00 0.00 177.93 176.67 2ctd h MET 55 N -0.87 0.00 -1.00 5.26 -0.00 -0.14 0.18 114.93 118.36 2ctd h MET 55 Ca -0.03 0.00 0.10 0.00 -0.00 0.00 0.00 59.70 59.77 2ctd h MET 55 Cb 0.51 0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 32.03 2ctd h MET 55 CO 0.05 0.05 0.64 0.93 -0.00 0.00 0.00 176.91 178.58 2ctd h GLU 56 N 0.00 1.03 0.00 -0.10 5.08 -0.62 -2.95 114.58 117.02 2ctd h GLU 56 Ca -0.00 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 58.06 2ctd h GLU 56 Cb 0.35 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2ctd h GLU 56 CO 0.01 0.68 -1.87 0.09 -1.00 0.00 0.00 179.01 176.91 2ctd n ASN 57 N -4.58 2.56 -0.03 1.42 3.02 -1.06 -4.74 115.26 111.86 2ctd n ASN 57 Ca 0.18 -0.04 -0.02 0.00 -0.03 0.00 0.00 54.58 54.67 2ctd n ASN 57 Cb 0.30 -0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.18 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 -3.32 0.24 -0.47 0.00 2.47 -1.11 -5.05 119.74 112.50 2ctd s LYS 59 Ca -0.02 0.35 0.07 0.00 -1.56 0.00 0.00 55.97 54.81 2ctd s LYS 59 Cb 0.01 0.08 0.24 0.00 -1.46 0.00 0.00 37.83 36.70 2ctd s LYS 59 CO 0.08 -0.04 0.55 0.94 0.16 0.00 0.00 175.35 177.04 2ctd n GLN 60 N 2.71 1.15 -4.00 4.03 7.27 -1.26 -4.74 117.38 122.54 2ctd n GLN 60 Ca -0.15 -3.64 -0.10 0.00 0.07 0.00 0.00 57.00 53.19 2ctd n GLN 60 Cb 0.57 -1.58 -0.05 0.00 2.41 0.00 0.00 30.24 31.59 2ctd n GLN 60 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2ctd s GLU 61 N -1.36 1.64 0.53 3.69 2.02 -1.26 -5.17 118.70 118.78 2ctd s GLU 61 Ca 0.35 -1.32 0.00 0.00 0.02 0.00 0.00 54.97 54.03 2ctd s GLU 61 Cb 0.14 0.48 0.00 0.00 0.10 0.00 0.00 34.13 34.85 2ctd s GLU 61 CO -0.10 -0.69 0.03 -1.33 0.02 0.00 0.00 175.26 173.19 2ctd n MET 62 N -0.42 0.73 -5.27 1.61 2.81 -1.26 -4.94 117.12 110.38 2ctd n MET 62 Ca -0.02 -3.78 -0.31 0.00 -1.81 0.00 0.00 57.70 51.78 2ctd n MET 62 Cb 0.62 0.96 -0.16 0.00 -0.71 0.00 0.00 33.22 33.93 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 -2.87 2.39 -0.08 2.03 0.08 -1.26 -5.12 117.98 113.15 2ctd s PHE 63 Ca 0.03 -0.53 -0.03 0.00 0.12 0.00 0.00 56.93 56.51 2ctd s PHE 63 Cb -0.00 -1.55 0.04 0.00 -0.57 0.00 0.00 43.02 40.94 2ctd s PHE 63 CO 0.02 -0.10 0.09 0.99 -0.10 0.00 0.00 175.22 176.12 2ctd s THR 64 N -0.44 -0.15 0.90 0.64 2.01 -1.26 -3.93 115.64 113.41 2ctd s THR 64 Ca 0.05 0.30 -0.12 0.00 0.31 0.00 0.00 61.69 62.23 2ctd s THR 64 Cb -0.11 -0.27 0.08 0.00 0.01 0.00 0.00 72.50 72.21 2ctd s THR 64 CO 0.01 0.09 0.82 0.00 -0.69 0.00 0.00 174.62 174.85 2ctd n HIS 66 N -3.73 0.00 0.32 0.00 8.25 -1.26 -3.44 115.22 115.36 2ctd n HIS 66 Ca 0.10 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.39 2ctd n HIS 66 Cb 0.52 -0.61 -0.09 0.00 1.12 0.00 0.00 29.99 30.93 2ctd n HIS 66 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2ctd h HIS 67 N 0.00 -0.93 0.00 4.41 3.86 -2.01 -3.38 115.15 117.11 2ctd h HIS 67 Ca -0.35 -0.01 -0.35 0.00 -1.16 0.00 0.00 60.37 58.50 2ctd h HIS 67 Cb 1.67 0.33 -0.06 0.00 1.06 0.00 0.00 27.41 30.42 2ctd h HIS 67 CO 0.01 -0.53 -2.22 0.00 0.86 0.00 0.00 177.93 176.05 2ctd n GLY 69 N 1.92 1.72 3.79 0.00 0.00 -1.22 -5.06 105.19 106.34 2ctd n GLY 69 Ca -0.41 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.37 2.75 -0.24 1.61 2.20 -1.26 -4.73 119.74 119.70 2ctd s LYS 70 Ca 0.00 1.17 -0.04 0.00 -0.36 0.00 0.00 55.97 56.74 2ctd s LYS 70 Cb 0.00 -1.96 0.08 0.00 -1.51 0.00 0.00 37.83 34.44 2ctd s LYS 70 CO 0.00 -1.26 0.09 -0.65 -0.36 0.00 0.00 175.35 173.17 2ctd s GLN 71 N -4.60 0.31 0.11 4.03 -0.21 -1.26 -2.07 119.66 115.95 2ctd s GLN 71 Ca 0.62 -0.43 0.06 0.00 0.02 0.00 0.00 55.36 55.63 2ctd s GLN 71 Cb -0.17 -1.67 -0.04 0.00 1.00 0.00 0.00 33.01 32.14 2ctd s GLN 71 CO 0.49 -0.83 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.16 2ctd s LEU 72 N 2.00 2.35 -0.11 2.90 1.43 -1.25 -5.07 118.68 120.93 2ctd s LEU 72 Ca 0.05 -0.74 -0.14 0.00 -1.03 0.00 0.00 54.13 52.26 2ctd s LEU 72 Cb -0.16 -0.62 -0.12 0.00 0.03 0.00 0.00 46.19 45.32 2ctd s LEU 72 CO -0.21 -0.08 0.41 0.03 0.23 0.00 0.00 176.35 176.73 2ctd h ARG 73 N 3.80 -0.03 -6.35 1.70 3.08 -1.99 -3.40 114.38 111.20 2ctd h ARG 73 Ca -0.41 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.07 2ctd h ARG 73 Cb 1.19 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 2ctd h ARG 73 CO 0.46 0.43 0.98 -1.12 -1.07 0.00 0.00 179.97 179.66 2ctd s SER 74 N -5.81 6.65 0.27 7.04 0.01 -1.26 -4.90 113.70 115.69 2ctd s SER 74 Ca -0.09 1.23 -0.00 0.00 1.31 0.00 0.00 55.95 58.40 2ctd s SER 74 Cb -0.01 -2.54 0.57 0.00 0.21 0.00 0.00 66.02 64.25 2ctd s SER 74 CO 0.34 -1.10 1.73 0.25 0.41 0.00 0.00 173.24 174.87 2ctd h LEU 75 N 10.95 0.37 -0.04 2.44 5.85 -1.96 -2.23 115.31 130.69 2ctd h LEU 75 Ca -0.27 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.59 2ctd h LEU 75 Cb 1.10 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 2ctd h LEU 75 CO 1.03 0.11 -0.48 0.00 -0.34 0.00 0.00 178.44 178.76 2ctd h ALA 76 N 1.61 -0.88 -0.72 1.25 0.00 -1.99 0.26 119.26 118.78 2ctd h ALA 76 Ca 0.48 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.48 2ctd h ALA 76 Cb 0.78 0.92 -0.12 0.00 0.00 0.00 0.00 17.79 19.37 2ctd h ALA 76 CO -0.43 -1.04 0.06 0.78 0.00 0.00 0.00 179.25 178.61 2ctd h GLY 77 N -0.57 0.86 0.61 0.00 0.00 -1.82 -1.97 103.07 100.18 2ctd h GLY 77 Ca 0.02 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 2ctd h GLY 77 CO -0.34 -0.25 -0.30 1.98 0.00 0.00 0.00 176.54 177.64 2ctd h MET 78 N 0.15 -0.80 -1.91 4.80 -1.53 -1.12 -2.51 114.93 112.01 2ctd h MET 78 Ca 0.39 0.05 0.55 0.00 -3.44 0.00 0.00 59.70 57.26 2ctd h MET 78 Cb 0.68 0.18 -0.08 0.00 -0.55 0.00 0.00 31.60 31.84 2ctd h MET 78 CO -0.59 -0.53 1.40 1.63 0.14 0.00 0.00 176.91 178.97 2ctd n LYS 79 N -4.54 0.00 0.09 0.39 5.02 0.83 0.25 118.16 120.21 2ctd n LYS 79 Ca -0.10 1.07 -0.20 0.00 -2.02 0.00 0.00 58.31 57.06 2ctd n LYS 79 Cb 0.33 -2.48 -0.12 0.00 -0.02 0.00 0.00 35.03 32.74 2ctd n LYS 79 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2ctd h TYR 80 N 0.00 0.90 -0.78 2.13 3.20 -1.08 -3.23 116.97 118.11 2ctd h TYR 80 Ca 0.91 -0.56 0.19 0.00 3.14 0.00 0.00 58.73 62.41 2ctd h TYR 80 Cb 3.71 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 41.86 2ctd h TYR 80 CO 0.00 1.40 0.53 1.12 -1.64 0.00 0.00 178.16 179.58 2ctd h HIS 81 N 0.26 0.26 0.00 -3.82 2.07 0.38 0.59 115.15 114.89 2ctd h HIS 81 Ca -0.16 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.37 2ctd h HIS 81 Cb 1.86 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 31.76 2ctd h HIS 81 CO 0.10 0.08 -0.00 0.28 -3.07 0.00 0.00 177.93 175.32 2ctd h VAL 82 N 0.21 1.47 0.00 6.12 2.07 -1.54 0.15 116.25 124.73 2ctd h VAL 82 Ca 0.38 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 2ctd h VAL 82 Cb 1.19 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 33.37 2ctd h VAL 82 CO -0.08 0.36 -0.02 0.24 0.02 0.00 0.00 177.57 178.10 2ctd h MET 83 N -0.59 0.00 0.00 1.57 2.07 -1.32 0.26 114.93 116.92 2ctd h MET 83 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 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 0.00 0.02 -0.40 0.00 1.07 0.00 0.00 176.91 177.59 2ctd h ALA 84 N 1.98 0.00 0.33 6.32 0.00 -0.86 -3.30 119.26 123.73 2ctd h ALA 84 Ca -0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2ctd h ALA 84 Cb 0.28 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2ctd h ALA 84 CO 0.00 0.40 -0.16 -0.91 0.00 0.00 0.00 179.25 178.59 2ctd h ASN 85 N -0.88 -0.37 -0.29 0.00 2.35 -0.72 -3.29 115.58 112.39 2ctd h ASN 85 Ca 0.00 -0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.55 2ctd h ASN 85 Cb 0.40 0.10 -0.08 0.00 0.05 0.00 0.00 38.32 38.79 2ctd h ASN 85 CO 0.00 0.08 0.25 1.41 -1.65 0.00 0.00 177.43 177.52 2ctd n HIS 86 N -5.07 0.93 -1.69 1.19 8.25 0.87 -4.95 115.22 114.74 2ctd n HIS 86 Ca -0.06 -1.57 -0.38 0.00 -0.26 0.00 0.00 57.72 55.45 2ctd n HIS 86 Cb 0.18 -0.77 0.05 0.00 1.12 0.00 0.00 29.99 30.58 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 0.78 1.91 -4.33 0.41 0.23 -0.93 -4.62 115.26 108.70 2ctd n ASN 87 Ca 0.18 0.90 -0.32 0.00 -0.53 0.00 0.00 54.58 54.81 2ctd n ASN 87 Cb 0.55 -1.50 -0.15 0.00 -2.08 0.00 0.00 39.78 36.60 2ctd n ASN 87 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2ctd s SER 88 N -1.10 3.33 0.05 0.53 1.04 -1.26 -5.05 113.70 111.24 2ctd s SER 88 Ca 0.75 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.77 2ctd s SER 88 Cb -0.42 -0.73 -0.03 0.00 0.10 0.00 0.00 66.02 64.94 2ctd s SER 88 CO 0.47 0.29 -0.07 -1.48 0.98 0.00 0.00 173.24 173.43 2ctd s LEU 89 N -0.39 2.32 0.81 2.42 2.34 -1.26 -5.16 118.68 119.76 2ctd s LEU 89 Ca 0.04 -0.66 -0.11 0.00 0.06 0.00 0.00 54.13 53.46 2ctd s LEU 89 Cb -0.12 -0.09 0.08 0.00 -0.56 0.00 0.00 46.19 45.50 2ctd s LEU 89 CO 0.02 -0.29 1.09 -2.16 -1.06 0.00 0.00 176.35 173.95 2ctd s PRO 90 N -2.13 1.94 -0.89 1.48 0.04 -1.26 -4.93 135.00 129.25 2ctd s PRO 90 Ca -0.06 1.06 -0.25 0.00 0.04 0.00 0.00 61.00 61.79 2ctd s PRO 90 Cb -0.06 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.64 2ctd s PRO 90 CO -0.01 -1.83 1.48 -1.12 0.04 0.00 0.00 177.00 175.55 2ctd s SER 91 N -3.40 6.15 0.48 6.66 0.01 -1.26 -4.97 113.70 117.36 2ctd s SER 91 Ca 0.62 -0.91 0.07 0.00 1.31 0.00 0.00 55.95 57.04 2ctd s SER 91 Cb -0.17 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2ctd s SER 91 CO 0.56 -1.81 0.37 -0.83 0.41 0.00 0.00 173.24 171.94 2ctd s GLY 92 N 5.13 2.27 1.08 3.44 0.00 -1.26 -5.13 107.32 112.85 2ctd s GLY 92 Ca 0.47 -1.65 -0.15 0.00 0.00 0.00 0.00 44.72 43.39 2ctd s GLY 92 CO 0.01 -1.85 1.10 2.56 0.00 0.00 0.00 173.10 174.93 2ctd s PRO 93 N -4.17 -0.25 0.48 2.90 0.04 -1.26 -4.94 135.00 127.80 2ctd s PRO 93 Ca 0.41 0.28 0.26 0.00 0.04 0.00 0.00 61.00 61.99 2ctd s PRO 93 Cb -0.02 -1.68 1.12 0.00 0.04 0.00 0.00 34.50 33.97 2ctd s PRO 93 CO 0.24 -3.14 1.91 0.66 0.04 0.00 0.00 177.00 176.71 2ctd h SER 94 N -2.18 0.00 -6.55 6.66 4.64 -2.04 -3.46 113.55 110.63 2ctd h SER 94 Ca -0.51 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.31 2ctd h SER 94 Cb 1.32 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.20 2ctd h SER 94 CO 0.49 0.17 -0.75 -0.24 -0.87 0.00 0.00 176.83 175.63 2ctd n SER 95 N -3.39 0.05 -0.02 4.97 2.88 -1.26 -5.35 113.62 111.50 2ctd n SER 95 Ca -0.00 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 2ctd n SER 95 Cb 0.37 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 2ctd n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42