#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 -0.23 0.03 1.61 0.01 -1.26 -5.18 113.70 108.69 2ctd s SER 2 Ca 0.00 -0.28 -0.28 0.00 1.31 0.00 0.00 55.95 56.70 2ctd s SER 2 Cb 0.00 0.46 0.10 0.00 0.21 0.00 0.00 66.02 66.79 2ctd s SER 2 CO 0.00 -0.82 1.21 -0.94 0.41 0.00 0.00 173.24 173.11 2ctd s SER 3 N -2.68 -0.05 0.00 2.44 1.04 -1.26 -5.16 113.70 108.03 2ctd s SER 3 Ca 0.02 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2ctd s SER 3 Cb 0.02 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2ctd s SER 3 CO -0.11 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2ctd n GLY 4 N -0.62 2.49 2.93 7.32 0.00 -1.26 -5.16 105.19 110.90 2ctd n GLY 4 Ca -0.05 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 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 0.58 -0.19 1.61 0.01 -1.26 -5.14 113.70 109.31 2ctd s SER 5 Ca 0.00 0.43 -0.31 0.00 1.31 0.00 0.00 55.95 57.38 2ctd s SER 5 Cb 0.00 0.54 0.15 0.00 0.21 0.00 0.00 66.02 66.91 2ctd s SER 5 CO 0.00 -0.25 1.14 -0.94 0.41 0.00 0.00 173.24 173.60 2ctd s SER 6 N 2.37 -0.22 0.00 2.44 1.04 -1.26 -5.18 113.70 112.89 2ctd s SER 6 Ca 0.02 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2ctd s SER 6 Cb -0.12 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.19 2ctd s SER 6 CO -0.08 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2ctd n GLY 7 N 0.41 -0.27 3.64 7.32 0.00 -1.26 -5.11 105.19 109.93 2ctd n GLY 7 Ca -0.05 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.00 4.03 -0.88 1.61 3.00 -1.26 -5.04 118.95 118.41 2ctd s ARG 8 Ca 0.00 -0.29 -0.21 0.00 0.00 0.00 0.00 55.73 55.22 2ctd s ARG 8 Cb 0.00 -3.48 0.09 0.00 0.00 0.00 0.00 34.95 31.56 2ctd s ARG 8 CO 0.00 0.07 1.17 0.42 0.00 0.00 0.00 175.30 176.97 2ctd s ILE 9 N 1.00 4.39 -0.29 1.52 -1.09 -1.26 -4.91 121.20 120.55 2ctd s ILE 9 Ca 0.07 -0.99 -0.17 0.00 -2.23 0.00 0.00 60.65 57.34 2ctd s ILE 9 Cb -0.13 -4.83 0.17 0.00 -1.58 0.00 0.00 42.46 36.09 2ctd s ILE 9 CO 0.04 -1.62 1.11 0.00 -1.23 0.00 0.00 174.94 173.25 2ctd s ARG 10 N 3.72 0.23 -0.38 2.79 1.04 -1.26 -5.13 118.95 119.96 2ctd s ARG 10 Ca 0.33 0.39 0.01 0.00 -1.04 0.00 0.00 55.73 55.43 2ctd s ARG 10 Cb -0.07 0.05 0.12 0.00 -2.04 0.00 0.00 34.95 33.01 2ctd s ARG 10 CO -0.04 -0.05 0.17 0.15 -0.04 0.00 0.00 175.30 175.49 2ctd s LYS 11 N 1.13 1.08 -0.28 3.89 1.02 -1.26 -5.08 119.74 120.23 2ctd s LYS 11 Ca -0.08 -1.63 -0.26 0.00 0.02 0.00 0.00 55.97 54.02 2ctd s LYS 11 Cb -0.03 -2.29 0.17 0.00 -0.52 0.00 0.00 37.83 35.16 2ctd s LYS 11 CO -0.12 -1.07 1.29 -1.83 -0.92 0.00 0.00 175.35 172.69 2ctd s GLU 12 N 0.89 0.22 0.71 1.68 1.03 -1.26 -5.17 118.70 116.80 2ctd s GLU 12 Ca 0.14 0.23 -0.13 0.00 0.03 0.00 0.00 54.97 55.24 2ctd s GLU 12 Cb -0.21 0.11 0.02 0.00 -0.80 0.00 0.00 34.13 33.25 2ctd s GLU 12 CO -0.10 -0.03 1.10 -1.25 -1.33 0.00 0.00 175.26 173.65 2ctd s PRO 13 N -0.07 2.56 1.25 -4.83 0.04 -1.26 -5.05 135.00 127.65 2ctd s PRO 13 Ca 0.06 1.29 -0.21 0.00 0.04 0.00 0.00 61.00 62.18 2ctd s PRO 13 Cb -0.04 -1.93 0.31 0.00 0.04 0.00 0.00 34.50 32.88 2ctd s PRO 13 CO -0.11 -1.42 1.11 -1.25 0.04 0.00 0.00 177.00 175.37 2ctd s PRO 14 N -4.45 -1.64 0.30 0.56 0.04 -1.26 -4.89 135.00 123.67 2ctd s PRO 14 Ca 0.64 -0.21 0.07 0.00 0.04 0.00 0.00 61.00 61.54 2ctd s PRO 14 Cb -0.19 -1.56 0.81 0.00 0.04 0.00 0.00 34.50 33.60 2ctd s PRO 14 CO 0.48 -3.96 1.70 -0.24 0.04 0.00 0.00 177.00 175.02 2ctd h VAL 15 N -2.75 0.48 -2.95 -0.36 3.04 -2.04 -3.42 116.25 108.25 2ctd h VAL 15 Ca -0.42 -0.15 -0.44 0.00 -1.01 0.00 0.00 66.70 64.68 2ctd h VAL 15 Cb 1.28 -0.01 0.22 0.00 -2.01 0.00 0.00 31.29 30.77 2ctd h VAL 15 CO 0.28 0.08 -0.26 -1.22 -1.01 0.00 0.00 177.57 175.44 2ctd n TYR 16 N -4.99 -1.44 -1.65 3.17 4.01 -1.26 -4.98 117.16 110.01 2ctd n TYR 16 Ca 0.25 -0.13 -0.31 0.00 -0.16 0.00 0.00 57.90 57.54 2ctd n TYR 16 Cb 0.72 -1.65 0.04 0.00 -0.31 0.00 0.00 39.34 38.14 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 -2.35 2.77 -0.35 -0.72 0.00 -1.26 -4.95 121.76 114.90 2ctd s ALA 17 Ca 0.66 0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 2ctd s ALA 17 Cb -0.23 -3.14 0.21 0.00 0.00 0.00 0.00 23.12 19.96 2ctd s ALA 17 CO 0.66 -1.11 2.12 0.00 0.00 0.00 0.00 175.76 177.43 2ctd n ALA 18 N -3.05 5.36 0.00 0.00 0.00 -1.26 -4.13 120.51 117.43 2ctd n ALA 18 Ca 0.07 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.58 2ctd n ALA 18 Cb 0.54 -1.49 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 0.35 0.00 3.22 0.00 0.00 -1.26 -5.18 105.19 102.31 2ctd n GLY 19 Ca 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 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 0.34 0.14 1.61 0.01 -1.26 -5.06 113.70 109.48 2ctd s SER 20 Ca 0.00 -1.38 -0.15 0.00 1.31 0.00 0.00 55.95 55.73 2ctd s SER 20 Cb 0.00 0.34 0.01 0.00 0.21 0.00 0.00 66.02 66.58 2ctd s SER 20 CO 0.00 -0.81 1.69 -0.07 0.41 0.00 0.00 173.24 174.45 2ctd h LEU 21 N 2.60 0.61 -1.00 2.44 3.38 -2.00 -2.83 115.31 118.51 2ctd h LEU 21 Ca -0.36 -0.17 0.39 0.00 0.09 0.00 0.00 57.88 57.82 2ctd h LEU 21 Cb 1.25 -0.16 -0.18 0.00 0.09 0.00 0.00 40.66 41.66 2ctd h LEU 21 CO 0.55 0.62 0.48 -0.33 0.09 0.00 0.00 178.44 179.85 2ctd h GLU 22 N 0.57 0.04 -0.07 1.13 5.08 -1.97 0.67 114.58 120.03 2ctd h GLU 22 Ca 0.15 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2ctd h GLU 22 Cb 0.20 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2ctd h GLU 22 CO -0.01 0.02 0.03 1.49 -1.00 0.00 0.00 179.01 179.55 2ctd h GLU 23 N 0.04 0.09 0.77 2.33 4.81 -1.77 -1.64 114.58 119.22 2ctd h GLU 23 Ca 0.81 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.98 2ctd h GLU 23 Cb 2.06 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 31.43 2ctd h GLU 23 CO -0.77 0.17 -0.37 1.96 -0.73 0.00 0.00 179.01 179.27 2ctd h GLN 24 N -0.01 -1.00 -1.08 1.92 4.20 0.16 -2.65 115.11 116.66 2ctd h GLN 24 Ca 0.02 0.07 0.31 0.00 0.06 0.00 0.00 58.65 59.11 2ctd h GLN 24 Cb 0.11 0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 2ctd h GLN 24 CO -0.00 -0.66 0.84 -1.49 -0.67 0.00 0.00 178.83 176.84 2ctd h TRP 25 N -1.27 0.00 0.09 2.96 6.55 -0.97 0.70 115.95 124.01 2ctd h TRP 25 Ca -0.11 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.73 2ctd h TRP 25 Cb 0.80 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.10 2ctd h TRP 25 CO 0.00 0.00 -0.04 -0.92 -1.05 0.00 0.00 178.44 176.43 2ctd h TYR 26 N 0.00 -0.11 -0.65 0.49 3.20 -1.06 -3.26 116.97 115.58 2ctd h TYR 26 Ca 0.51 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.51 2ctd h TYR 26 Cb 2.19 0.04 -0.12 0.00 1.54 0.00 0.00 36.73 40.37 2ctd h TYR 26 CO 0.00 0.33 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.61 2ctd h LEU 27 N -0.60 -0.63 -1.78 2.82 3.38 -0.51 0.62 115.31 118.61 2ctd h LEU 27 Ca -0.01 0.20 0.27 0.00 0.09 0.00 0.00 57.88 58.43 2ctd h LEU 27 Cb 0.49 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 2ctd h LEU 27 CO 0.02 -0.22 0.83 -0.08 0.09 0.00 0.00 178.44 179.08 2ctd h GLU 28 N -0.01 0.00 0.00 1.13 4.57 -1.56 0.39 114.58 119.10 2ctd h GLU 28 Ca 0.31 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.47 2ctd h GLU 28 Cb 0.48 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2ctd h GLU 28 CO -0.68 0.00 -0.21 0.82 -1.18 0.00 0.00 179.01 177.76 2ctd h ILE 29 N 0.00 0.41 0.00 2.32 2.04 0.15 -0.33 117.51 122.10 2ctd h ILE 29 Ca 0.44 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2ctd h ILE 29 Cb 2.09 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2ctd h ILE 29 CO -0.00 0.14 0.00 1.33 0.00 0.00 0.00 178.15 179.61 2ctd n VAL 30 N -4.68 1.07 -0.13 1.67 0.24 -0.53 0.24 118.33 116.21 2ctd n VAL 30 Ca -0.06 0.67 -0.20 0.00 -2.04 0.00 0.00 64.34 62.70 2ctd n VAL 30 Cb 0.20 -1.66 -0.11 0.00 -1.47 0.00 0.00 33.84 30.80 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 -2.21 1.99 -0.05 -1.34 2.03 0.13 -4.82 116.55 112.28 2ctd n ASP 31 Ca -0.01 -0.05 -0.09 0.00 0.52 0.00 0.00 54.79 55.16 2ctd n ASP 31 Cb 0.05 -0.48 -0.03 0.00 -0.72 0.00 0.00 41.12 39.94 2ctd n ASP 31 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ctd n LYS 32 N -3.44 0.20 0.00 -0.67 4.76 -0.17 -5.05 118.16 113.79 2ctd n LYS 32 Ca -0.47 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.05 2ctd n LYS 32 Cb 0.96 -0.92 0.00 0.00 -1.84 0.00 0.00 35.03 33.23 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 2.60 0.99 3.30 0.72 0.00 0.65 -4.96 105.19 108.48 2ctd n GLY 33 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.80 -0.19 -0.11 1.61 1.04 -1.23 -4.68 113.70 109.34 2ctd s SER 34 Ca 0.00 -0.27 -0.03 0.00 0.48 0.00 0.00 55.95 56.13 2ctd s SER 34 Cb 0.00 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 2ctd s SER 34 CO 0.00 -0.77 0.00 0.54 0.98 0.00 0.00 173.24 173.99 2ctd s VAL 35 N -3.38 4.32 0.46 5.02 0.11 0.19 -3.73 120.40 123.39 2ctd s VAL 35 Ca 0.00 -0.23 -0.18 0.00 -2.93 0.00 0.00 61.98 58.64 2ctd s VAL 35 Cb 0.01 -2.84 -0.09 0.00 -1.53 0.00 0.00 36.38 31.93 2ctd s VAL 35 CO -0.09 0.57 0.94 -0.55 -3.33 0.00 0.00 175.10 172.64 2ctd s SER 36 N -0.55 6.76 -0.16 3.54 0.15 -1.26 0.36 113.70 122.54 2ctd s SER 36 Ca 0.09 1.57 -0.29 0.00 0.70 0.00 0.00 55.95 58.02 2ctd s SER 36 Cb -0.12 -2.50 -0.01 0.00 -1.71 0.00 0.00 66.02 61.68 2ctd s SER 36 CO 0.02 -0.45 1.19 0.00 1.20 0.00 0.00 173.24 175.20 2ctd n PRO 38 N 6.20 0.14 -0.03 0.00 -0.04 -1.26 0.48 135.00 140.49 2ctd n PRO 38 Ca 0.13 0.18 -0.02 0.00 -0.04 0.00 0.00 63.50 63.75 2ctd n PRO 38 Cb 0.46 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.41 2ctd n PRO 38 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2ctd h THR 39 N 0.00 0.00 0.02 0.52 2.02 -1.97 -3.43 112.91 110.07 2ctd h THR 39 Ca 0.00 -0.42 -0.34 0.00 0.77 0.00 0.00 66.41 66.42 2ctd h THR 39 Cb 0.17 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.53 2ctd h THR 39 CO 0.00 0.00 -2.06 0.00 0.37 0.00 0.00 175.52 173.83 2ctd n GLN 41 N -3.05 -4.24 -0.06 0.00 6.02 0.18 -4.91 117.38 111.32 2ctd n GLN 41 Ca -0.28 0.73 -0.12 0.00 -0.01 0.00 0.00 57.00 57.32 2ctd n GLN 41 Cb 1.08 -5.24 -0.05 0.00 1.02 0.00 0.00 30.24 27.05 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 -3.36 2.00 -2.46 -1.58 0.00 -1.26 -4.88 120.51 108.97 2ctd n ALA 42 Ca -0.08 -0.53 -0.26 0.00 0.00 0.00 0.00 53.44 52.57 2ctd n ALA 42 Cb 0.59 0.29 -0.15 0.00 0.00 0.00 0.00 19.45 20.18 2ctd n ALA 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ctd s VAL 43 N -2.24 1.60 0.29 0.00 -7.23 -1.26 -4.99 120.40 106.56 2ctd s VAL 43 Ca -0.18 -0.98 0.08 0.00 -1.81 0.00 0.00 61.98 59.09 2ctd s VAL 43 Cb 0.06 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 2ctd s VAL 43 CO 0.25 0.35 0.10 -0.83 -0.31 0.00 0.00 175.10 174.66 2ctd s GLY 44 N -0.74 1.68 0.07 2.32 0.00 -1.26 -2.60 107.32 106.80 2ctd s GLY 44 Ca 0.07 -1.64 0.04 0.00 0.00 0.00 0.00 44.72 43.19 2ctd s GLY 44 CO 0.00 -1.66 0.02 0.50 0.00 0.00 0.00 173.10 171.96 2ctd s ARG 45 N -3.78 2.67 0.21 2.90 1.81 0.16 -4.82 118.95 118.09 2ctd s ARG 45 Ca 0.34 -0.77 -0.19 0.00 -1.72 0.00 0.00 55.73 53.40 2ctd s ARG 45 Cb -0.06 -2.61 0.19 0.00 -0.45 0.00 0.00 34.95 32.03 2ctd s ARG 45 CO 0.22 0.56 1.57 0.87 -0.68 0.00 0.00 175.30 177.84 2ctd h LYS 46 N 3.54 -0.06 -4.85 3.54 1.57 -1.87 0.56 116.57 119.00 2ctd h LYS 46 Ca -0.48 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 57.92 2ctd h LYS 46 Cb 1.17 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.35 2ctd h LYS 46 CO 0.61 -0.04 -0.57 0.95 -0.57 0.00 0.00 179.45 179.83 2ctd s THR 47 N -5.96 0.31 0.52 -0.16 -4.23 -1.26 -3.98 115.64 100.87 2ctd s THR 47 Ca -0.14 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.61 2ctd s THR 47 Cb 0.19 -2.52 0.39 0.00 1.34 0.00 0.00 72.50 71.89 2ctd s THR 47 CO 0.70 0.00 1.99 0.40 -0.54 0.00 0.00 174.62 177.18 2ctd h ILE 48 N 2.27 0.75 0.27 2.99 2.04 -1.89 -2.00 117.51 121.95 2ctd h ILE 48 Ca -0.34 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 2ctd h ILE 48 Cb 1.25 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2ctd h ILE 48 CO 0.52 0.01 -0.24 -0.33 0.00 0.00 0.00 178.15 178.11 2ctd h GLU 49 N 0.05 -0.51 0.00 2.37 5.08 -1.95 -1.93 114.58 117.69 2ctd h GLU 49 Ca 0.26 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 2ctd h GLU 49 Cb 0.95 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2ctd h GLU 49 CO -0.02 -0.34 -0.19 0.78 -1.00 0.00 0.00 179.01 178.24 2ctd h GLY 50 N -0.53 0.00 0.79 -3.84 0.00 -1.75 -3.12 103.07 94.62 2ctd h GLY 50 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2ctd h GLY 50 CO -0.04 0.00 -0.34 -2.00 0.00 0.00 0.00 176.54 174.16 2ctd h LEU 51 N 0.00 -0.82 -1.61 3.11 5.85 -0.98 -1.59 115.31 119.28 2ctd h LEU 51 Ca -0.00 0.01 0.27 0.00 0.84 0.00 0.00 57.88 58.99 2ctd h LEU 51 Cb 0.44 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 2ctd h LEU 51 CO 0.02 -0.46 0.68 0.11 -0.34 0.00 0.00 178.44 178.46 2ctd h LYS 52 N -1.19 0.26 0.00 1.25 6.56 -1.35 0.90 116.57 123.00 2ctd h LYS 52 Ca -0.10 -0.02 -0.10 0.00 -1.06 0.00 0.00 60.65 59.37 2ctd h LYS 52 Cb 0.76 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.35 2ctd h LYS 52 CO 0.16 0.17 -0.48 -0.22 -2.06 0.00 0.00 179.45 177.02 2ctd h LYS 53 N 0.27 0.00 0.00 3.15 1.63 -1.46 -1.49 116.57 118.67 2ctd h LYS 53 Ca 0.54 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 60.23 2ctd h LYS 53 Cb 1.60 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.21 2ctd h LYS 53 CO -0.17 0.48 -0.60 1.25 -3.45 0.00 0.00 179.45 176.96 2ctd h HIS 54 N 0.00 0.00 0.00 1.91 2.76 0.16 -3.36 115.15 116.62 2ctd h HIS 54 Ca -0.00 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 2ctd h HIS 54 Cb 1.13 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.08 2ctd h HIS 54 CO 0.00 1.14 -0.21 0.00 -1.30 0.00 0.00 177.93 177.56 2ctd h MET 55 N -1.00 0.00 -0.71 5.26 -0.00 -0.43 0.26 114.93 118.31 2ctd h MET 55 Ca -0.16 0.00 0.08 0.00 -0.00 0.00 0.00 59.70 59.62 2ctd h MET 55 Cb 1.07 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 32.61 2ctd h MET 55 CO -0.10 0.21 0.38 0.93 -0.00 0.00 0.00 176.91 178.33 2ctd h GLU 56 N 0.00 0.63 0.04 -0.10 4.39 -1.40 -0.32 114.58 117.82 2ctd h GLU 56 Ca -0.00 -0.04 -0.38 0.00 0.34 0.00 0.00 59.36 59.28 2ctd h GLU 56 Cb 0.45 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 2ctd h GLU 56 CO 0.03 0.42 -2.29 0.27 -1.16 0.00 0.00 179.01 176.28 2ctd n ASN 57 N -4.82 2.02 -0.08 1.42 0.23 -1.07 -4.28 115.26 108.68 2ctd n ASN 57 Ca 0.11 0.02 0.20 0.00 -0.53 0.00 0.00 54.58 54.37 2ctd n ASN 57 Cb 0.24 -0.60 0.63 0.00 -2.08 0.00 0.00 39.78 37.97 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 -4.40 0.00 -1.08 0.00 4.76 -0.13 -4.71 118.16 112.59 2ctd n LYS 59 Ca 0.13 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.35 2ctd n LYS 59 Cb 0.62 -1.13 -0.11 0.00 -1.84 0.00 0.00 35.03 32.57 2ctd n LYS 59 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ctd n GLN 60 N 6.08 2.59 -2.89 1.97 -0.00 -1.26 -4.90 117.38 118.97 2ctd n GLN 60 Ca 0.46 -1.43 -0.41 0.00 -0.00 0.00 0.00 57.00 55.62 2ctd n GLN 60 Cb -0.00 -2.30 -0.04 0.00 -0.00 0.00 0.00 30.24 27.90 2ctd n GLN 60 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2ctd s GLU 61 N 1.56 4.38 0.37 2.61 2.12 -1.26 -5.02 118.70 123.45 2ctd s GLU 61 Ca 0.66 1.07 -0.12 0.00 0.36 0.00 0.00 54.97 56.94 2ctd s GLU 61 Cb 0.25 -3.53 0.04 0.00 0.26 0.00 0.00 34.13 31.15 2ctd s GLU 61 CO -0.02 -0.20 0.69 0.00 -0.54 0.00 0.00 175.26 175.19 2ctd s MET 62 N 1.66 2.11 0.05 4.30 0.23 -1.26 -5.05 119.30 121.35 2ctd s MET 62 Ca 0.41 -1.52 -0.05 0.00 -1.03 0.00 0.00 55.69 53.50 2ctd s MET 62 Cb -0.18 0.57 -0.02 0.00 -1.53 0.00 0.00 34.83 33.68 2ctd s MET 62 CO 0.16 -0.96 0.09 -0.06 -2.03 0.00 0.00 175.02 172.23 2ctd s PHE 63 N -2.62 0.26 -0.18 3.16 0.40 -1.26 -5.12 117.98 112.63 2ctd s PHE 63 Ca 0.20 -0.66 -0.08 0.00 -0.60 0.00 0.00 56.93 55.78 2ctd s PHE 63 Cb -0.04 -0.18 0.07 0.00 0.51 0.00 0.00 43.02 43.38 2ctd s PHE 63 CO 0.14 -0.42 0.40 0.99 0.70 0.00 0.00 175.22 177.04 2ctd s THR 64 N -3.27 -0.24 0.78 0.64 2.01 -1.26 -3.84 115.64 110.46 2ctd s THR 64 Ca 0.01 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 2ctd s THR 64 Cb 0.03 -0.62 0.06 0.00 0.01 0.00 0.00 72.50 71.98 2ctd s THR 64 CO -0.08 0.05 1.08 0.00 -0.69 0.00 0.00 174.62 174.99 2ctd n HIS 66 N -3.47 0.00 0.05 0.00 8.25 -1.26 -3.48 115.22 115.30 2ctd n HIS 66 Ca 0.08 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.49 2ctd n HIS 66 Cb 0.54 -0.73 -0.03 0.00 1.12 0.00 0.00 29.99 30.90 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 -0.42 0.02 4.41 3.86 -2.00 -3.36 115.15 117.66 2ctd h HIS 67 Ca -0.42 0.01 -0.38 0.00 -1.16 0.00 0.00 60.37 58.42 2ctd h HIS 67 Cb 1.72 0.17 -0.06 0.00 1.06 0.00 0.00 27.41 30.30 2ctd h HIS 67 CO 0.02 -0.17 -2.38 0.00 0.86 0.00 0.00 177.93 176.25 2ctd n GLY 69 N 2.17 0.91 3.86 0.00 0.00 -1.23 -5.06 105.19 105.84 2ctd n GLY 69 Ca -0.42 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 0.19 3.93 -0.23 1.61 2.20 -1.26 -4.75 119.74 121.42 2ctd s LYS 70 Ca 0.00 0.66 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 2ctd s LYS 70 Cb 0.00 -2.36 0.06 0.00 -1.51 0.00 0.00 37.83 34.02 2ctd s LYS 70 CO 0.00 0.01 -0.04 -0.65 -0.36 0.00 0.00 175.35 174.32 2ctd s GLN 71 N -3.47 1.45 0.24 4.03 -0.21 -1.26 -1.60 119.66 118.84 2ctd s GLN 71 Ca 0.54 -0.91 0.10 0.00 0.02 0.00 0.00 55.36 55.11 2ctd s GLN 71 Cb -0.10 -2.51 -0.05 0.00 1.00 0.00 0.00 33.01 31.35 2ctd s GLN 71 CO 0.24 -0.62 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.11 2ctd s LEU 72 N 1.47 2.57 -0.14 2.90 1.43 -1.25 -5.07 118.68 120.59 2ctd s LEU 72 Ca -0.05 -1.02 -0.21 0.00 -1.03 0.00 0.00 54.13 51.83 2ctd s LEU 72 Cb -0.19 -0.93 -0.18 0.00 0.03 0.00 0.00 46.19 44.93 2ctd s LEU 72 CO -0.07 -0.04 0.51 -0.09 0.23 0.00 0.00 176.35 176.89 2ctd h ARG 73 N 2.45 0.00 -5.90 1.70 2.43 -1.97 -3.34 114.38 109.75 2ctd h ARG 73 Ca -0.39 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.19 2ctd h ARG 73 Cb 1.24 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.72 2ctd h ARG 73 CO 0.60 0.72 0.51 -1.12 -1.51 0.00 0.00 179.97 179.18 2ctd s SER 74 N -6.09 6.93 0.25 -3.80 0.01 -1.26 -4.81 113.70 104.93 2ctd s SER 74 Ca -0.15 1.15 -0.03 0.00 1.31 0.00 0.00 55.95 58.23 2ctd s SER 74 Cb -0.01 -2.46 0.44 0.00 0.21 0.00 0.00 66.02 64.19 2ctd s SER 74 CO 0.50 -0.51 1.80 0.25 0.41 0.00 0.00 173.24 175.69 2ctd h LEU 75 N 8.95 0.65 0.00 2.44 5.85 -2.00 -2.84 115.31 128.37 2ctd h LEU 75 Ca -0.24 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2ctd h LEU 75 Cb 1.10 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2ctd h LEU 75 CO 0.88 0.35 -0.02 0.00 -0.34 0.00 0.00 178.44 179.31 2ctd h ALA 76 N 1.48 -0.56 -0.99 1.25 0.00 -1.99 0.29 119.26 118.75 2ctd h ALA 76 Ca 0.42 -0.00 0.35 0.00 0.00 0.00 0.00 54.91 55.67 2ctd h ALA 76 Cb 0.44 0.47 -0.17 0.00 0.00 0.00 0.00 17.79 18.53 2ctd h ALA 76 CO -0.27 -0.57 0.42 0.78 0.00 0.00 0.00 179.25 179.61 2ctd h GLY 77 N -0.03 1.94 0.32 0.00 0.00 -1.96 -1.49 103.07 101.86 2ctd h GLY 77 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 2ctd h GLY 77 CO -0.01 -0.63 -0.15 1.98 0.00 0.00 0.00 176.54 177.72 2ctd h MET 78 N 0.10 -0.41 -1.80 4.80 -1.53 -1.15 -2.49 114.93 112.44 2ctd h MET 78 Ca 0.74 0.03 0.52 0.00 -3.44 0.00 0.00 59.70 57.56 2ctd h MET 78 Cb 1.80 0.09 -0.07 0.00 -0.55 0.00 0.00 31.60 32.88 2ctd h MET 78 CO -0.75 -0.28 1.37 1.63 0.14 0.00 0.00 176.91 179.03 2ctd n LYS 79 N -3.66 0.00 0.11 0.39 5.02 0.96 0.25 118.16 121.23 2ctd n LYS 79 Ca -0.05 1.05 -0.21 0.00 -2.02 0.00 0.00 58.31 57.08 2ctd n LYS 79 Cb 0.17 -2.46 -0.13 0.00 -0.02 0.00 0.00 35.03 32.59 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 0.91 -0.34 2.13 3.20 -1.22 -3.05 116.97 118.60 2ctd h TYR 80 Ca 0.86 -0.60 0.10 0.00 3.14 0.00 0.00 58.73 62.23 2ctd h TYR 80 Cb 3.59 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 41.78 2ctd h TYR 80 CO 0.00 1.45 0.28 1.12 -1.64 0.00 0.00 178.16 179.37 2ctd h HIS 81 N 0.22 0.00 0.00 -3.82 2.07 0.39 0.70 115.15 114.71 2ctd h HIS 81 Ca -0.19 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.30 2ctd h HIS 81 Cb 1.96 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.93 2ctd h HIS 81 CO 0.11 0.00 -0.16 0.28 -3.07 0.00 0.00 177.93 175.09 2ctd h VAL 82 N 0.00 1.37 0.00 6.12 2.07 -1.52 -2.08 116.25 122.22 2ctd h VAL 82 Ca 0.16 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.59 2ctd h VAL 82 Cb 0.72 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 2ctd h VAL 82 CO -0.00 0.47 0.00 0.23 0.02 0.00 0.00 177.57 178.28 2ctd n MET 83 N -4.62 0.02 -0.04 1.57 2.81 -0.92 -0.07 117.12 115.86 2ctd n MET 83 Ca -0.11 0.33 -0.04 0.00 -1.81 0.00 0.00 57.70 56.07 2ctd n MET 83 Cb 0.42 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.42 2ctd n MET 83 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ctd n ALA 84 N -1.47 0.39 -0.03 3.04 0.00 0.19 -4.15 120.51 118.48 2ctd n ALA 84 Ca 0.02 -0.48 -0.14 0.00 0.00 0.00 0.00 53.44 52.85 2ctd n ALA 84 Cb 0.09 0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.45 2ctd n ALA 84 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ctd h ASN 85 N -0.49 0.11 -0.33 0.00 2.35 -1.40 -3.22 115.58 112.60 2ctd h ASN 85 Ca 0.00 -0.70 -0.20 0.00 -0.55 0.00 0.00 56.30 54.85 2ctd h ASN 85 Cb 0.44 -0.03 -0.10 0.00 0.05 0.00 0.00 38.32 38.68 2ctd h ASN 85 CO 0.00 0.80 0.25 1.41 -1.65 0.00 0.00 177.43 178.24 2ctd n HIS 86 N -4.65 1.05 -1.89 1.19 8.25 0.89 -4.85 115.22 115.20 2ctd n HIS 86 Ca -0.09 -1.25 -0.23 0.00 -0.26 0.00 0.00 57.72 55.89 2ctd n HIS 86 Cb 0.40 -0.62 -0.06 0.00 1.12 0.00 0.00 29.99 30.83 2ctd n HIS 86 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2ctd s ASN 87 N 0.44 4.67 0.21 0.41 3.84 -1.10 -4.69 114.94 118.71 2ctd s ASN 87 Ca 0.20 -0.65 0.03 0.00 0.21 0.00 0.00 52.86 52.64 2ctd s ASN 87 Cb 0.16 -2.56 -0.05 0.00 -0.55 0.00 0.00 41.25 38.25 2ctd s ASN 87 CO 0.02 -3.24 0.01 -0.44 -2.79 0.00 0.00 177.10 170.66 2ctd s SER 88 N 8.59 1.53 0.56 -4.21 0.01 -1.26 -5.05 113.70 113.86 2ctd s SER 88 Ca 0.76 -1.22 -0.18 0.00 1.31 0.00 0.00 55.95 56.62 2ctd s SER 88 Cb -0.07 0.07 -0.09 0.00 0.21 0.00 0.00 66.02 66.13 2ctd s SER 88 CO 0.05 -0.56 0.47 0.00 0.41 0.00 0.00 173.24 173.61 2ctd n LEU 89 N -0.36 0.40 -4.56 2.44 -0.00 -1.26 -4.77 117.00 108.88 2ctd n LEU 89 Ca -0.05 0.73 -0.27 0.00 -0.00 0.00 0.00 56.01 56.43 2ctd n LEU 89 Cb 0.64 -1.15 -0.05 0.00 -0.00 0.00 0.00 43.42 42.86 2ctd n LEU 89 CO 0.36 -3.19 1.37 -2.16 -0.00 0.00 0.00 177.39 173.76 2ctd s PRO 90 N -1.98 2.54 0.47 1.47 0.04 -1.26 -4.95 135.00 131.33 2ctd s PRO 90 Ca 0.68 -0.43 -0.05 0.00 0.04 0.00 0.00 61.00 61.24 2ctd s PRO 90 Cb -0.45 -5.09 0.10 0.00 0.04 0.00 0.00 34.50 29.10 2ctd s PRO 90 CO 0.55 -3.48 0.64 -1.13 0.04 0.00 0.00 177.00 173.62 2ctd n SER 91 N 14.05 0.35 -3.64 6.66 3.41 -1.26 -5.12 113.62 128.06 2ctd n SER 91 Ca 0.41 -1.41 -0.03 0.00 -0.26 0.00 0.00 58.87 57.58 2ctd n SER 91 Cb 0.47 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 2ctd n SER 91 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ctd s GLY 92 N -4.25 0.14 0.02 5.00 0.00 -1.26 -5.06 107.32 101.92 2ctd s GLY 92 Ca 0.38 3.25 -0.22 0.00 0.00 0.00 0.00 44.72 48.13 2ctd s GLY 92 CO 0.26 2.43 1.33 -0.56 0.00 0.00 0.00 173.10 176.56 2ctd h PRO 93 N 5.23 0.26 -2.53 2.90 0.13 -2.05 -3.46 132.00 132.48 2ctd h PRO 93 Ca -0.28 -0.14 -0.10 0.00 -0.87 0.00 0.00 66.00 64.62 2ctd h PRO 93 Cb 1.18 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.08 2ctd h PRO 93 CO 0.19 0.67 -0.16 -1.54 -0.23 0.00 0.00 178.00 176.93 2ctd s SER 94 N -6.01 -0.54 0.79 1.44 1.04 -1.26 -5.17 113.70 103.98 2ctd s SER 94 Ca -0.15 1.01 -0.07 0.00 0.48 0.00 0.00 55.95 57.22 2ctd s SER 94 Cb 0.04 0.98 0.13 0.00 0.10 0.00 0.00 66.02 67.28 2ctd s SER 94 CO 0.73 -0.18 1.10 -0.94 0.98 0.00 0.00 173.24 174.93 2ctd s SER 95 N 0.59 4.10 0.00 7.02 1.04 -1.26 -5.28 113.70 119.91 2ctd s SER 95 Ca -0.03 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2ctd s SER 95 Cb -0.05 -0.43 0.00 0.00 0.10 0.00 0.00 66.02 65.65 2ctd s SER 95 CO -0.03 -2.05 0.05 0.61 0.98 0.00 0.00 173.24 172.80