#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctd n SER 2 N 0.00 -4.29 -3.61 1.61 7.64 -1.26 -5.00 113.62 108.70 2ctd n SER 2 Ca 0.00 -0.54 -0.13 0.00 1.01 0.00 0.00 58.87 59.21 2ctd n SER 2 Cb 0.00 -4.81 -0.07 0.00 -1.01 0.00 0.00 64.21 58.32 2ctd n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ctd s SER 3 N -3.74 -0.60 0.00 6.43 1.04 -1.26 -5.15 113.70 110.42 2ctd s SER 3 Ca 0.30 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.78 2ctd s SER 3 Cb -0.13 1.02 0.00 0.00 0.10 0.00 0.00 66.02 67.01 2ctd s SER 3 CO 0.69 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.24 2ctd n GLY 4 N 2.08 3.64 3.39 7.32 0.00 -1.26 -5.16 105.19 115.20 2ctd n GLY 4 Ca -0.14 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 -0.61 0.25 1.61 0.01 -1.26 -5.17 113.70 108.53 2ctd s SER 5 Ca 0.00 1.07 -0.22 0.00 1.31 0.00 0.00 55.95 58.11 2ctd s SER 5 Cb 0.00 0.98 0.03 0.00 0.21 0.00 0.00 66.02 67.25 2ctd s SER 5 CO 0.00 -0.20 0.79 -0.55 0.41 0.00 0.00 173.24 173.69 2ctd s SER 6 N 1.10 -0.22 0.00 2.44 0.15 -1.26 -5.08 113.70 110.83 2ctd s SER 6 Ca -0.07 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2ctd s SER 6 Cb -0.06 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2ctd s SER 6 CO -0.10 -1.25 0.00 0.61 1.20 0.00 0.00 173.24 173.69 2ctd n GLY 7 N -0.47 0.00 0.84 9.45 0.00 -1.26 -5.02 105.19 108.73 2ctd n GLY 7 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2ctd n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2ctd n ARG 8 N 0.00 1.66 -2.41 1.61 -4.01 -1.26 -4.88 116.66 107.37 2ctd n ARG 8 Ca 0.00 -0.59 -0.42 0.00 -1.04 0.00 0.00 57.85 55.80 2ctd n ARG 8 Cb 0.00 -1.58 -0.03 0.00 -3.04 0.00 0.00 32.46 27.81 2ctd n ARG 8 CO 0.00 0.00 0.00 0.96 -3.04 0.00 0.00 177.63 175.55 2ctd s ILE 9 N -1.22 3.90 -0.07 8.89 -4.36 -1.26 -5.03 121.20 122.04 2ctd s ILE 9 Ca 0.10 1.42 -0.06 0.00 -0.26 0.00 0.00 60.65 61.85 2ctd s ILE 9 Cb 0.08 -3.91 0.02 0.00 1.25 0.00 0.00 42.46 39.90 2ctd s ILE 9 CO 0.03 0.14 0.19 -0.13 0.24 0.00 0.00 174.94 175.41 2ctd s ARG 10 N 0.72 0.21 -0.25 0.37 1.81 -1.26 -5.16 118.95 115.39 2ctd s ARG 10 Ca 0.57 0.30 -0.28 0.00 -1.72 0.00 0.00 55.73 54.60 2ctd s ARG 10 Cb -0.30 0.06 0.16 0.00 -0.45 0.00 0.00 34.95 34.42 2ctd s ARG 10 CO 0.31 -0.05 1.23 0.21 -0.68 0.00 0.00 175.30 176.31 2ctd s LYS 11 N 0.31 0.28 -0.19 3.54 2.20 -1.26 -5.19 119.74 119.43 2ctd s LYS 11 Ca -0.02 0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.46 2ctd s LYS 11 Cb -0.03 0.13 0.14 0.00 -1.51 0.00 0.00 37.83 36.57 2ctd s LYS 11 CO -0.01 -0.07 1.11 -1.83 -0.36 0.00 0.00 175.35 174.19 2ctd s GLU 12 N -0.56 0.43 0.43 4.03 -1.05 -1.26 -5.16 118.70 115.56 2ctd s GLU 12 Ca 0.05 0.06 -0.24 0.00 -0.15 0.00 0.00 54.97 54.69 2ctd s GLU 12 Cb -0.03 0.20 -0.08 0.00 -0.44 0.00 0.00 34.13 33.79 2ctd s GLU 12 CO -0.07 -0.14 1.18 -1.25 0.95 0.00 0.00 175.26 175.92 2ctd s PRO 13 N -1.32 3.88 1.16 -4.83 0.04 -1.26 -5.04 135.00 127.64 2ctd s PRO 13 Ca 0.03 1.83 -0.18 0.00 0.04 0.00 0.00 61.00 62.72 2ctd s PRO 13 Cb -0.01 -2.54 0.27 0.00 0.04 0.00 0.00 34.50 32.26 2ctd s PRO 13 CO -0.02 -0.46 1.11 -1.25 0.04 0.00 0.00 177.00 176.41 2ctd s PRO 14 N -2.51 -0.88 0.35 0.56 0.04 -1.26 -4.90 135.00 126.40 2ctd s PRO 14 Ca 0.61 0.06 0.12 0.00 0.04 0.00 0.00 61.00 61.82 2ctd s PRO 14 Cb -0.30 -1.63 0.92 0.00 0.04 0.00 0.00 34.50 33.54 2ctd s PRO 14 CO 0.37 -3.51 1.79 -0.24 0.04 0.00 0.00 177.00 175.45 2ctd h VAL 15 N -2.44 0.64 -4.19 -0.36 3.04 -2.05 -3.42 116.25 107.47 2ctd h VAL 15 Ca -0.47 -0.20 -0.53 0.00 -1.01 0.00 0.00 66.70 64.49 2ctd h VAL 15 Cb 1.30 0.01 0.19 0.00 -2.01 0.00 0.00 31.29 30.79 2ctd h VAL 15 CO 0.40 0.11 0.23 -1.22 -1.01 0.00 0.00 177.57 176.07 2ctd n TYR 16 N -4.68 0.91 -2.20 3.17 4.01 -1.26 -5.02 117.16 112.09 2ctd n TYR 16 Ca 0.23 0.40 -0.27 0.00 -0.16 0.00 0.00 57.90 58.10 2ctd n TYR 16 Cb 0.69 -2.03 0.12 0.00 -0.31 0.00 0.00 39.34 37.81 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 -2.42 2.99 -0.45 -0.72 0.00 -1.26 -4.97 121.76 114.93 2ctd s ALA 17 Ca 0.69 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 2ctd s ALA 17 Cb -0.25 -2.52 0.28 0.00 0.00 0.00 0.00 23.12 20.63 2ctd s ALA 17 CO 0.56 -1.70 2.07 0.00 0.00 0.00 0.00 175.76 176.69 2ctd n ALA 18 N -3.17 5.62 0.00 0.00 0.00 -1.26 -4.22 120.51 117.47 2ctd n ALA 18 Ca 0.12 -2.37 0.00 0.00 0.00 0.00 0.00 53.44 51.19 2ctd n ALA 18 Cb 0.60 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.04 0.00 3.45 0.00 0.00 -1.26 -5.18 105.19 102.16 2ctd n GLY 19 Ca 0.42 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.22 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 2.98 0.14 1.61 0.01 -1.26 -5.05 113.70 112.13 2ctd s SER 20 Ca 0.00 -1.17 -0.16 0.00 1.31 0.00 0.00 55.95 55.92 2ctd s SER 20 Cb 0.00 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2ctd s SER 20 CO 0.00 -0.28 1.77 -0.07 0.41 0.00 0.00 173.24 175.07 2ctd h LEU 21 N 2.25 0.47 -0.85 2.44 3.38 -2.00 -2.81 115.31 118.18 2ctd h LEU 21 Ca -0.40 -0.06 0.19 0.00 0.09 0.00 0.00 57.88 57.70 2ctd h LEU 21 Cb 1.24 -0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.71 2ctd h LEU 21 CO 0.67 0.39 -0.09 -0.33 0.09 0.00 0.00 178.44 179.17 2ctd h GLU 22 N 0.51 0.04 -0.59 1.13 5.08 -1.97 0.38 114.58 119.16 2ctd h GLU 22 Ca 0.14 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2ctd h GLU 22 Cb 0.01 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2ctd h GLU 22 CO -0.03 0.02 0.34 1.49 -1.00 0.00 0.00 179.01 179.84 2ctd h GLU 23 N 0.04 0.65 0.35 2.33 4.81 -1.80 -2.03 114.58 118.93 2ctd h GLU 23 Ca 0.45 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.63 2ctd h GLU 23 Cb 0.79 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 2ctd h GLU 23 CO -0.81 0.43 -0.23 1.96 -0.73 0.00 0.00 179.01 179.63 2ctd h GLN 24 N 0.67 -0.53 -0.84 1.92 4.20 -0.23 -2.78 115.11 117.52 2ctd h GLN 24 Ca 0.25 0.04 0.18 0.00 0.06 0.00 0.00 58.65 59.17 2ctd h GLN 24 Cb 0.07 0.12 -0.16 0.00 0.30 0.00 0.00 27.48 27.81 2ctd h GLN 24 CO -0.12 -0.35 -0.15 -1.49 -0.67 0.00 0.00 178.83 176.05 2ctd h TRP 25 N -0.55 -0.33 -0.57 2.96 6.55 -1.25 0.22 115.95 122.99 2ctd h TRP 25 Ca -0.05 0.07 0.09 0.00 0.95 0.00 0.00 58.89 59.96 2ctd h TRP 25 Cb 0.44 0.28 -0.11 0.00 -0.86 0.00 0.00 29.16 28.91 2ctd h TRP 25 CO -0.00 -0.35 -0.38 -0.92 -1.05 0.00 0.00 178.44 175.73 2ctd h TYR 26 N 0.02 -1.10 -0.58 0.49 3.20 -1.22 -1.58 116.97 116.21 2ctd h TYR 26 Ca 0.43 0.08 0.07 0.00 3.14 0.00 0.00 58.73 62.45 2ctd h TYR 26 Cb 0.70 0.56 -0.10 0.00 1.54 0.00 0.00 36.73 39.43 2ctd h TYR 26 CO -0.60 -0.40 -0.51 -0.07 -1.64 0.00 0.00 178.16 174.94 2ctd h LEU 27 N -0.21 -1.74 -1.98 2.82 3.38 -0.67 0.56 115.31 117.47 2ctd h LEU 27 Ca 0.20 0.26 0.58 0.00 0.09 0.00 0.00 57.88 59.01 2ctd h LEU 27 Cb 0.56 0.75 -0.08 0.00 0.09 0.00 0.00 40.66 41.98 2ctd h LEU 27 CO -0.67 -0.35 1.43 1.21 0.09 0.00 0.00 178.44 180.15 2ctd n GLU 28 N -5.37 -0.00 -0.05 1.13 4.07 -0.60 -0.17 120.64 119.64 2ctd n GLU 28 Ca -0.00 1.08 -0.01 0.00 -0.06 0.00 0.00 57.16 58.18 2ctd n GLU 28 Cb 0.34 -2.50 -0.00 0.00 -0.06 0.00 0.00 31.44 29.21 2ctd n GLU 28 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 2ctd h ILE 29 N 0.00 0.00 0.00 6.31 2.04 0.17 -0.12 117.51 125.90 2ctd h ILE 29 Ca 0.94 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2ctd h ILE 29 Cb 3.79 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 2ctd h ILE 29 CO -0.01 0.00 0.20 -0.37 0.00 0.00 0.00 178.15 177.97 2ctd h VAL 30 N -0.93 0.00 0.00 1.67 -1.51 -0.22 1.00 116.25 116.25 2ctd h VAL 30 Ca 0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 65.29 2ctd h VAL 30 Cb 0.06 0.48 -0.03 0.00 -2.13 0.00 0.00 31.29 29.68 2ctd h VAL 30 CO 0.00 0.00 -1.49 -0.67 -1.23 0.00 0.00 177.57 174.18 2ctd n ASP 31 N -2.37 1.92 -0.10 4.19 -0.08 0.76 -4.82 116.55 116.05 2ctd n ASP 31 Ca -0.01 0.38 -0.18 0.00 -1.51 0.00 0.00 54.79 53.46 2ctd n ASP 31 Cb 0.23 -0.80 -0.08 0.00 2.34 0.00 0.00 41.12 42.81 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 -4.41 0.54 0.00 -0.67 4.76 -0.07 -5.04 118.16 113.27 2ctd n LYS 32 Ca -0.29 0.44 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2ctd n LYS 32 Cb 0.63 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 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 1.43 0.86 3.51 0.72 0.00 0.34 -4.99 105.19 107.08 2ctd n GLY 33 Ca -0.30 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 2ctd n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctd s SER 34 N 0.00 -0.63 0.04 1.61 0.01 -1.25 -4.71 113.70 108.76 2ctd s SER 34 Ca 0.00 0.83 -0.11 0.00 1.31 0.00 0.00 55.95 57.99 2ctd s SER 34 Cb 0.00 0.74 -0.06 0.00 0.21 0.00 0.00 66.02 66.91 2ctd s SER 34 CO 0.00 -0.50 0.37 0.54 0.41 0.00 0.00 173.24 174.06 2ctd s VAL 35 N -0.81 5.12 0.28 3.43 0.11 -0.34 -4.40 120.40 123.79 2ctd s VAL 35 Ca -0.08 0.51 0.02 0.00 -2.93 0.00 0.00 61.98 59.50 2ctd s VAL 35 Cb -0.02 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 2ctd s VAL 35 CO 0.07 0.39 0.45 -0.55 -3.33 0.00 0.00 175.10 172.13 2ctd s SER 36 N -1.54 6.32 -0.14 3.54 0.15 -1.26 0.01 113.70 120.77 2ctd s SER 36 Ca 0.29 0.28 -0.29 0.00 0.70 0.00 0.00 55.95 56.93 2ctd s SER 36 Cb -0.14 -1.95 -0.06 0.00 -1.71 0.00 0.00 66.02 62.15 2ctd s SER 36 CO 0.16 -0.16 2.10 0.00 1.20 0.00 0.00 173.24 176.53 2ctd n PRO 38 N 8.32 0.40 -0.07 0.00 -0.04 -1.26 0.10 135.00 142.44 2ctd n PRO 38 Ca 0.26 0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.68 2ctd n PRO 38 Cb 0.44 -1.50 -0.03 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 -1.09 1.45 -0.06 0.52 -1.04 -1.26 -4.77 114.28 108.03 2ctd n THR 39 Ca 0.10 0.14 -0.07 0.00 -2.04 0.00 0.00 64.05 62.18 2ctd n THR 39 Cb 0.07 -2.22 -0.15 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 -2.81 -7.16 -0.02 0.00 6.02 0.28 -4.89 117.38 108.80 2ctd n GLN 41 Ca -0.24 0.78 -0.03 0.00 -0.01 0.00 0.00 57.00 57.50 2ctd n GLN 41 Cb 1.06 -5.78 -0.02 0.00 1.02 0.00 0.00 30.24 26.52 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 -4.75 2.10 -3.05 -1.58 0.00 -1.26 -4.88 120.51 107.09 2ctd n ALA 42 Ca -0.06 -0.15 -0.24 0.00 0.00 0.00 0.00 53.44 52.99 2ctd n ALA 42 Cb 0.58 0.42 -0.16 0.00 0.00 0.00 0.00 19.45 20.30 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 -2.07 1.16 0.46 0.00 -7.23 -1.26 -4.97 120.40 106.48 2ctd s VAL 43 Ca -0.05 -0.55 0.05 0.00 -1.81 0.00 0.00 61.98 59.62 2ctd s VAL 43 Cb 0.01 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 2ctd s VAL 43 CO 0.08 0.34 0.10 -0.83 -0.31 0.00 0.00 175.10 174.48 2ctd s GLY 44 N 0.20 2.60 0.12 2.32 0.00 -1.26 -1.96 107.32 109.34 2ctd s GLY 44 Ca -0.05 -1.57 0.04 0.00 0.00 0.00 0.00 44.72 43.14 2ctd s GLY 44 CO 0.02 -2.06 -0.10 0.50 0.00 0.00 0.00 173.10 171.45 2ctd s ARG 45 N -3.88 0.97 0.13 2.90 0.52 0.10 -4.94 118.95 114.76 2ctd s ARG 45 Ca 0.28 -1.31 -0.19 0.00 -0.52 0.00 0.00 55.73 53.99 2ctd s ARG 45 Cb 0.04 -0.61 -0.02 0.00 0.52 0.00 0.00 34.95 34.88 2ctd s ARG 45 CO 0.15 0.09 1.76 0.87 0.02 0.00 0.00 175.30 178.19 2ctd h LYS 46 N 3.17 0.24 -5.70 3.54 1.57 -1.85 -0.90 116.57 116.64 2ctd h LYS 46 Ca -0.37 -0.01 -0.61 0.00 -1.87 0.00 0.00 60.65 57.78 2ctd h LYS 46 Cb 1.19 -0.05 -0.11 0.00 0.08 0.00 0.00 32.23 33.34 2ctd h LYS 46 CO 0.58 0.16 -0.53 0.95 -0.57 0.00 0.00 179.45 180.04 2ctd s THR 47 N -6.17 1.97 -0.07 -0.16 -4.23 -1.26 -4.38 115.64 101.34 2ctd s THR 47 Ca -0.13 -1.85 -0.27 0.00 -1.18 0.00 0.00 61.69 58.26 2ctd s THR 47 Cb 0.10 -2.82 -0.22 0.00 1.34 0.00 0.00 72.50 70.89 2ctd s THR 47 CO 0.70 0.00 1.08 0.40 -0.54 0.00 0.00 174.62 176.25 2ctd h ILE 48 N 1.51 1.52 -0.64 2.99 2.04 -1.96 -3.25 117.51 119.73 2ctd h ILE 48 Ca -0.43 -1.58 0.08 0.00 1.00 0.00 0.00 64.86 63.93 2ctd h ILE 48 Cb 1.26 2.60 -0.09 0.00 -0.74 0.00 0.00 36.82 39.85 2ctd h ILE 48 CO 0.74 0.41 -0.31 1.21 0.00 0.00 0.00 178.15 180.20 2ctd n GLU 49 N -4.77 -0.21 -0.16 2.37 2.13 -1.26 0.14 120.64 118.88 2ctd n GLU 49 Ca -0.09 0.97 -0.07 0.00 0.66 0.00 0.00 57.16 58.63 2ctd n GLU 49 Cb 0.33 -1.44 0.02 0.00 0.27 0.00 0.00 31.44 30.63 2ctd n GLU 49 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2ctd h GLY 50 N 0.00 0.67 0.69 8.31 0.00 -1.99 -2.96 103.07 107.78 2ctd h GLY 50 Ca 0.16 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.28 2ctd h GLY 50 CO -0.62 0.22 -0.14 -2.00 0.00 0.00 0.00 176.54 174.00 2ctd h LEU 51 N 0.61 -0.40 -0.95 3.11 5.85 0.12 -2.71 115.31 120.95 2ctd h LEU 51 Ca 0.18 0.06 0.15 0.00 0.84 0.00 0.00 57.88 59.11 2ctd h LEU 51 Cb -0.04 0.16 -0.16 0.00 0.37 0.00 0.00 40.66 41.00 2ctd h LEU 51 CO -0.06 -0.20 -0.35 0.29 -0.34 0.00 0.00 178.44 177.78 2ctd n LYS 52 N -5.27 -0.20 -0.01 1.25 5.02 0.36 0.20 118.16 119.51 2ctd n LYS 52 Ca -0.06 1.46 0.04 0.00 -2.02 0.00 0.00 58.31 57.74 2ctd n LYS 52 Cb 0.19 -2.17 0.42 0.00 -0.02 0.00 0.00 35.03 33.45 2ctd n LYS 52 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2ctd h LYS 53 N 0.00 0.55 0.02 1.97 1.63 -1.48 0.29 116.57 119.55 2ctd h LYS 53 Ca 0.35 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.11 2ctd h LYS 53 Cb 0.58 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 2ctd h LYS 53 CO -0.95 0.36 -0.01 1.25 -3.45 0.00 0.00 179.45 176.66 2ctd h HIS 54 N 0.57 -0.02 -0.08 1.91 2.76 0.26 -3.16 115.15 117.39 2ctd h HIS 54 Ca 0.16 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.23 2ctd h HIS 54 Cb -0.05 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 2ctd h HIS 54 CO -0.00 0.39 -0.40 0.00 -1.30 0.00 0.00 177.93 176.62 2ctd h MET 55 N -0.43 0.16 -0.82 5.26 -0.00 -0.39 0.96 114.93 119.67 2ctd h MET 55 Ca -0.00 -0.07 0.20 0.00 -0.00 0.00 0.00 59.70 59.82 2ctd h MET 55 Cb 0.42 -0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 31.87 2ctd h MET 55 CO 0.00 0.54 0.06 0.93 -0.00 0.00 0.00 176.91 178.44 2ctd h GLU 56 N 0.14 0.11 0.00 -0.10 5.08 -0.39 0.29 114.58 119.70 2ctd h GLU 56 Ca 0.01 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2ctd h GLU 56 Cb 0.77 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2ctd h GLU 56 CO 0.06 0.07 -1.99 0.27 -1.00 0.00 0.00 179.01 176.42 2ctd n ASN 57 N -5.34 0.43 -1.83 1.42 0.23 -1.18 -4.31 115.26 104.68 2ctd n ASN 57 Ca 0.17 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 54.09 2ctd n ASN 57 Cb 0.56 1.71 0.17 0.00 -2.08 0.00 0.00 39.78 40.14 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 -0.48 0.22 -4.75 0.00 2.85 0.92 -4.53 118.16 112.40 2ctd n LYS 59 Ca 0.39 0.11 -0.31 0.00 -1.05 0.00 0.00 58.31 57.46 2ctd n LYS 59 Cb 1.28 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 34.03 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 -2.32 1.96 0.60 -1.58 2.00 -1.26 -5.01 119.66 114.05 2ctd s GLN 60 Ca 0.12 -1.03 -0.19 0.00 -2.00 0.00 0.00 55.36 52.26 2ctd s GLN 60 Cb 0.07 -2.11 -0.05 0.00 0.80 0.00 0.00 33.01 31.72 2ctd s GLN 60 CO 0.14 0.53 0.97 0.39 -0.50 0.00 0.00 175.29 176.81 2ctd n GLU 61 N 1.63 0.91 -4.38 1.67 1.02 -1.26 -4.74 120.64 115.49 2ctd n GLU 61 Ca -0.16 0.35 -0.22 0.00 -0.02 0.00 0.00 57.16 57.11 2ctd n GLU 61 Cb 0.52 -2.17 -0.08 0.00 -0.02 0.00 0.00 31.44 29.69 2ctd n GLU 61 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2ctd s MET 62 N -2.74 1.80 0.37 3.49 -1.94 -1.26 -5.05 119.30 113.96 2ctd s MET 62 Ca 0.75 -2.07 0.08 0.00 -1.71 0.00 0.00 55.69 52.75 2ctd s MET 62 Cb -0.42 -0.09 -0.07 0.00 2.01 0.00 0.00 34.83 36.26 2ctd s MET 62 CO 0.47 -0.56 -0.03 -0.06 -0.01 0.00 0.00 175.02 174.83 2ctd s PHE 63 N -3.39 2.41 -0.30 -0.03 0.08 -1.26 -5.05 117.98 110.45 2ctd s PHE 63 Ca 0.33 -0.62 -0.09 0.00 0.12 0.00 0.00 56.93 56.68 2ctd s PHE 63 Cb 0.03 -1.56 0.16 0.00 -0.57 0.00 0.00 43.02 41.08 2ctd s PHE 63 CO 0.21 0.47 0.78 0.99 -0.10 0.00 0.00 175.22 177.57 2ctd s THR 64 N -2.71 -0.78 0.98 0.64 2.01 -1.26 -4.27 115.64 110.24 2ctd s THR 64 Ca 0.34 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.22 2ctd s THR 64 Cb 0.07 -1.00 0.14 0.00 0.01 0.00 0.00 72.50 71.71 2ctd s THR 64 CO 0.17 0.00 0.85 0.00 -0.69 0.00 0.00 174.62 174.95 2ctd n HIS 66 N -4.20 0.00 -0.17 0.00 1.44 -1.26 -3.26 115.22 107.76 2ctd n HIS 66 Ca 0.08 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.78 2ctd n HIS 66 Cb 0.53 -0.53 0.07 0.00 0.12 0.00 0.00 29.99 30.19 2ctd n HIS 66 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2ctd h HIS 67 N 0.00 0.02 0.00 -1.40 3.86 -2.01 -3.36 115.15 112.27 2ctd h HIS 67 Ca -0.30 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 58.93 2ctd h HIS 67 Cb 1.55 0.07 -0.00 0.00 1.06 0.00 0.00 27.41 30.09 2ctd h HIS 67 CO 0.01 -0.10 -1.05 0.00 0.86 0.00 0.00 177.93 177.66 2ctd n GLY 69 N 3.28 1.08 3.84 0.00 0.00 -1.20 -5.06 105.19 107.12 2ctd n GLY 69 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.04 3.82 -0.26 1.61 2.20 -1.26 -4.74 119.74 121.06 2ctd s LYS 70 Ca 0.00 0.99 -0.01 0.00 -0.36 0.00 0.00 55.97 56.59 2ctd s LYS 70 Cb 0.00 -2.11 0.08 0.00 -1.51 0.00 0.00 37.83 34.29 2ctd s LYS 70 CO 0.00 -0.38 0.06 -0.65 -0.36 0.00 0.00 175.35 174.01 2ctd s GLN 71 N -4.11 0.84 -0.06 4.03 -0.21 -1.26 -1.59 119.66 117.30 2ctd s GLN 71 Ca 0.60 -0.88 0.05 0.00 0.02 0.00 0.00 55.36 55.14 2ctd s GLN 71 Cb -0.11 -2.14 -0.00 0.00 1.00 0.00 0.00 33.01 31.76 2ctd s GLN 71 CO 0.33 -0.82 -0.21 -0.51 -2.12 0.00 0.00 175.29 171.95 2ctd s LEU 72 N 1.64 1.99 0.17 2.90 1.43 -1.26 -5.03 118.68 120.51 2ctd s LEU 72 Ca 0.04 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.53 2ctd s LEU 72 Cb -0.17 -1.20 0.11 0.00 0.03 0.00 0.00 46.19 44.95 2ctd s LEU 72 CO -0.17 0.18 1.70 -0.09 0.23 0.00 0.00 176.35 178.20 2ctd h ARG 73 N 6.30 0.11 -6.04 1.70 2.43 -2.00 -3.41 114.38 113.48 2ctd h ARG 73 Ca -0.30 -0.01 -0.57 0.00 -0.81 0.00 0.00 59.98 58.30 2ctd h ARG 73 Cb 1.19 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.66 2ctd h ARG 73 CO 0.47 0.07 -0.01 -1.12 -1.51 0.00 0.00 179.97 177.87 2ctd s SER 74 N -5.26 6.94 0.10 -3.80 0.01 -1.26 -4.81 113.70 105.62 2ctd s SER 74 Ca -0.13 1.13 -0.15 0.00 1.31 0.00 0.00 55.95 58.11 2ctd s SER 74 Cb 0.14 -2.36 -0.08 0.00 0.21 0.00 0.00 66.02 63.92 2ctd s SER 74 CO 0.71 0.06 1.43 0.25 0.41 0.00 0.00 173.24 176.09 2ctd h LEU 75 N 5.93 0.76 -0.03 2.44 5.85 -2.00 -3.17 115.31 125.09 2ctd h LEU 75 Ca -0.44 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 57.82 2ctd h LEU 75 Cb 1.20 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2ctd h LEU 75 CO 0.71 1.07 -0.06 0.00 -0.34 0.00 0.00 178.44 179.83 2ctd h ALA 76 N 0.71 -0.37 -0.92 1.25 0.00 -1.96 0.33 119.26 118.29 2ctd h ALA 76 Ca 0.05 -0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.21 2ctd h ALA 76 Cb 0.85 0.72 -0.14 0.00 0.00 0.00 0.00 17.79 19.22 2ctd h ALA 76 CO 0.07 -0.40 0.38 0.78 0.00 0.00 0.00 179.25 180.08 2ctd h GLY 77 N -0.04 1.62 0.31 0.00 0.00 -1.99 -2.19 103.07 100.78 2ctd h GLY 77 Ca 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2ctd h GLY 77 CO -0.06 -0.38 -0.15 1.98 0.00 0.00 0.00 176.54 177.93 2ctd h MET 78 N 0.29 -0.40 -1.03 4.80 -1.53 -1.23 -2.00 114.93 113.84 2ctd h MET 78 Ca 0.61 0.03 0.30 0.00 -3.44 0.00 0.00 59.70 57.20 2ctd h MET 78 Cb 1.27 0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 32.37 2ctd h MET 78 CO -0.61 -0.27 1.21 1.63 0.14 0.00 0.00 176.91 179.00 2ctd n LYS 79 N -3.28 0.01 0.10 0.39 5.02 0.10 0.26 118.16 120.76 2ctd n LYS 79 Ca -0.05 1.00 -0.22 0.00 -2.02 0.00 0.00 58.31 57.02 2ctd n LYS 79 Cb 0.17 -2.49 -0.15 0.00 -0.02 0.00 0.00 35.03 32.53 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 0.73 -0.20 2.13 3.20 -1.10 -3.29 116.97 118.43 2ctd h TYR 80 Ca 0.49 -0.53 0.06 0.00 3.14 0.00 0.00 58.73 61.89 2ctd h TYR 80 Cb 2.89 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 41.13 2ctd h TYR 80 CO 0.00 1.55 0.20 1.12 -1.64 0.00 0.00 178.16 179.39 2ctd h HIS 81 N 0.11 0.00 -0.15 -3.82 2.07 0.43 -0.49 115.15 113.30 2ctd h HIS 81 Ca -0.28 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.04 2ctd h HIS 81 Cb 2.10 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.08 2ctd h HIS 81 CO 0.10 0.00 -0.70 0.28 -3.07 0.00 0.00 177.93 174.54 2ctd h VAL 82 N 0.00 1.31 -0.15 6.12 2.07 -1.57 -2.81 116.25 121.22 2ctd h VAL 82 Ca 0.09 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.65 2ctd h VAL 82 Cb 0.50 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2ctd h VAL 82 CO -0.00 0.61 0.00 0.23 0.02 0.00 0.00 177.57 178.43 2ctd n MET 83 N -3.92 1.68 -0.00 1.57 2.00 -0.21 -0.75 117.12 117.49 2ctd n MET 83 Ca -0.05 -0.68 -0.00 0.00 0.00 0.00 0.00 57.70 56.97 2ctd n MET 83 Cb 0.70 -1.44 -0.00 0.00 0.00 0.00 0.00 33.22 32.47 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 0.08 2.00 -0.00 3.04 0.00 -1.10 -4.51 120.51 120.02 2ctd n ALA 84 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 2ctd n ALA 84 Cb 0.33 0.16 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.85 4.21 -4.31 0.00 3.02 -1.08 -4.56 115.26 110.69 2ctd n ASN 85 Ca -0.00 -0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.11 2ctd n ASN 85 Cb 0.35 0.12 -0.07 0.00 -0.61 0.00 0.00 39.78 39.57 2ctd n ASN 85 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2ctd s HIS 86 N -2.01 3.29 -0.31 3.10 3.76 0.07 -4.44 115.29 118.75 2ctd s HIS 86 Ca -0.00 -1.30 -0.01 0.00 -0.15 0.00 0.00 55.06 53.60 2ctd s HIS 86 Cb 0.00 -3.42 0.00 0.00 1.11 0.00 0.00 32.58 30.27 2ctd s HIS 86 CO 0.01 -0.92 0.27 -1.71 -0.85 0.00 0.00 174.74 171.54 2ctd n ASN 87 N 5.13 -2.30 0.01 1.40 5.15 -1.26 -4.24 115.26 119.14 2ctd n ASN 87 Ca -0.12 -0.15 0.00 0.00 -0.60 0.00 0.00 54.58 53.71 2ctd n ASN 87 Cb 0.42 -1.67 0.00 0.00 -0.53 0.00 0.00 39.78 38.00 2ctd n ASN 87 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2ctd n SER 88 N -1.05 0.04 -4.82 1.20 2.88 -1.26 -4.84 113.62 105.78 2ctd n SER 88 Ca -0.05 0.02 -0.33 0.00 -1.33 0.00 0.00 58.87 57.18 2ctd n SER 88 Cb 0.54 -0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.93 2ctd n SER 88 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2ctd s LEU 89 N -5.71 3.92 -0.69 2.46 1.43 -1.26 -4.96 118.68 113.87 2ctd s LEU 89 Ca 0.00 1.69 -0.26 0.00 -1.03 0.00 0.00 54.13 54.53 2ctd s LEU 89 Cb 0.00 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 2ctd s LEU 89 CO 0.00 -0.38 1.88 -2.16 0.23 0.00 0.00 176.35 175.92 2ctd s PRO 90 N -3.23 2.61 0.28 1.29 0.04 -1.26 -4.90 135.00 129.82 2ctd s PRO 90 Ca 0.62 0.36 -0.13 0.00 0.04 0.00 0.00 61.00 61.89 2ctd s PRO 90 Cb -0.09 -4.57 0.01 0.00 0.04 0.00 0.00 34.50 29.88 2ctd s PRO 90 CO 0.14 -2.91 0.54 -1.12 0.04 0.00 0.00 177.00 173.70 2ctd s SER 91 N 8.09 0.02 -0.05 6.66 0.01 -1.26 -5.13 113.70 122.04 2ctd s SER 91 Ca 0.68 -0.97 -0.30 0.00 1.31 0.00 0.00 55.95 56.67 2ctd s SER 91 Cb -0.11 0.64 -0.05 0.00 0.21 0.00 0.00 66.02 66.71 2ctd s SER 91 CO 0.15 -1.24 1.52 -0.83 0.41 0.00 0.00 173.24 173.24 2ctd s GLY 92 N -3.04 1.64 -0.56 3.44 0.00 -1.26 -4.93 107.32 102.62 2ctd s GLY 92 Ca 0.21 0.87 -0.27 0.00 0.00 0.00 0.00 44.72 45.53 2ctd s GLY 92 CO 0.10 2.79 1.82 2.56 0.00 0.00 0.00 173.10 180.37 2ctd s PRO 93 N 3.36 2.79 -0.14 2.90 0.04 -1.26 -4.97 135.00 137.72 2ctd s PRO 93 Ca 0.68 0.75 0.02 0.00 0.04 0.00 0.00 61.00 62.48 2ctd s PRO 93 Cb -0.31 -4.34 0.01 0.00 0.04 0.00 0.00 34.50 29.89 2ctd s PRO 93 CO 0.26 -2.53 -0.20 0.45 0.04 0.00 0.00 177.00 175.02 2ctd s SER 94 N 7.54 3.25 -0.09 6.66 0.15 -1.26 -5.10 113.70 124.85 2ctd s SER 94 Ca 0.69 -0.56 -0.30 0.00 0.70 0.00 0.00 55.95 56.47 2ctd s SER 94 Cb -0.14 -1.47 0.12 0.00 -1.71 0.00 0.00 66.02 62.81 2ctd s SER 94 CO 0.23 0.09 0.98 -0.44 1.20 0.00 0.00 173.24 175.31 2ctd s SER 95 N 0.75 -0.32 0.00 5.45 0.01 -1.26 -5.16 113.70 113.17 2ctd s SER 95 Ca -0.08 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2ctd s SER 95 Cb -0.16 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2ctd s SER 95 CO -0.00 -0.46 0.08 0.61 0.41 0.00 0.00 173.24 173.88