#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 -0.35 -0.04 1.61 0.01 -1.26 -5.17 113.70 108.50 2ctd s SER 2 Ca 0.00 0.67 0.06 0.00 1.31 0.00 0.00 55.95 57.99 2ctd s SER 2 Cb 0.00 0.67 -0.01 0.00 0.21 0.00 0.00 66.02 66.89 2ctd s SER 2 CO 0.00 -0.13 -0.24 -0.94 0.41 0.00 0.00 173.24 172.34 2ctd s SER 3 N 0.09 2.85 0.00 2.44 1.04 -1.26 -5.07 113.70 113.79 2ctd s SER 3 Ca 0.04 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2ctd s SER 3 Cb -0.05 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.46 2ctd s SER 3 CO -0.08 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.00 2ctd n GLY 4 N 2.80 -0.27 3.88 7.32 0.00 -1.26 -5.16 105.19 112.50 2ctd n GLY 4 Ca -0.17 0.73 -0.36 0.00 0.00 0.00 0.00 46.02 46.23 2ctd n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctd s SER 5 N 0.00 6.49 0.05 1.61 1.04 -1.26 -5.10 113.70 116.52 2ctd s SER 5 Ca 0.00 0.56 0.08 0.00 0.48 0.00 0.00 55.95 57.07 2ctd s SER 5 Cb 0.00 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 64.00 2ctd s SER 5 CO 0.00 0.31 -0.23 -0.94 0.98 0.00 0.00 173.24 173.36 2ctd s SER 6 N -1.44 3.45 0.00 7.02 1.04 -1.26 -5.07 113.70 117.44 2ctd s SER 6 Ca 0.23 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2ctd s SER 6 Cb -0.13 -0.43 0.00 0.00 0.10 0.00 0.00 66.02 65.56 2ctd s SER 6 CO 0.12 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.21 2ctd n GLY 7 N 1.64 2.42 3.23 7.32 0.00 -1.26 -5.01 105.19 113.54 2ctd n GLY 7 Ca -0.17 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.52 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 -2.66 2.87 -0.68 1.61 0.52 -1.26 -5.05 118.95 114.30 2ctd s ARG 8 Ca 0.00 -0.96 -0.26 0.00 -0.52 0.00 0.00 55.73 53.99 2ctd s ARG 8 Cb 0.00 -3.08 -0.06 0.00 0.52 0.00 0.00 34.95 32.32 2ctd s ARG 8 CO 0.00 -0.42 2.14 0.42 0.02 0.00 0.00 175.30 177.46 2ctd s ILE 9 N 1.36 3.21 0.13 1.52 1.09 -1.26 -4.88 121.20 122.37 2ctd s ILE 9 Ca 0.00 -0.02 -0.12 0.00 -1.10 0.00 0.00 60.65 59.41 2ctd s ILE 9 Cb -0.17 -3.51 0.01 0.00 -1.06 0.00 0.00 42.46 37.73 2ctd s ILE 9 CO -0.03 -0.49 0.33 0.00 -0.10 0.00 0.00 174.94 174.65 2ctd s ARG 10 N 7.76 1.06 0.23 2.79 1.70 -1.26 -5.18 118.95 126.04 2ctd s ARG 10 Ca 0.81 -0.91 0.00 0.00 -0.47 0.00 0.00 55.73 55.17 2ctd s ARG 10 Cb -0.13 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 2ctd s ARG 10 CO 0.15 -0.39 0.13 0.15 -1.08 0.00 0.00 175.30 174.25 2ctd s LYS 11 N -3.87 1.32 -0.01 3.89 -0.14 -1.26 -5.17 119.74 114.50 2ctd s LYS 11 Ca 0.07 -1.71 -0.00 0.00 -1.36 0.00 0.00 55.97 52.97 2ctd s LYS 11 Cb 0.03 0.11 0.01 0.00 -1.68 0.00 0.00 37.83 36.29 2ctd s LYS 11 CO -0.08 -0.38 0.02 -1.21 -0.76 0.00 0.00 175.35 172.93 2ctd s GLU 12 N -4.06 0.00 0.53 1.68 0.41 -1.26 -5.15 118.70 110.85 2ctd s GLU 12 Ca 0.39 0.06 -0.20 0.00 -0.41 0.00 0.00 54.97 54.81 2ctd s GLU 12 Cb 0.07 -0.05 -0.06 0.00 -1.78 0.00 0.00 34.13 32.31 2ctd s GLU 12 CO 0.14 -0.04 1.13 -1.25 -0.49 0.00 0.00 175.26 174.75 2ctd s PRO 13 N 0.26 3.42 1.00 0.39 0.04 -1.26 -5.03 135.00 133.81 2ctd s PRO 13 Ca -0.02 1.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 2ctd s PRO 13 Cb -0.03 -2.07 0.19 0.00 0.04 0.00 0.00 34.50 32.63 2ctd s PRO 13 CO -0.01 -0.80 1.09 -1.25 0.04 0.00 0.00 177.00 176.07 2ctd s PRO 14 N -3.20 0.45 0.27 0.56 0.04 -1.26 -4.88 135.00 126.98 2ctd s PRO 14 Ca 0.71 0.53 0.01 0.00 0.04 0.00 0.00 61.00 62.30 2ctd s PRO 14 Cb -0.25 -1.74 0.66 0.00 0.04 0.00 0.00 34.50 33.22 2ctd s PRO 14 CO 0.28 -2.72 1.37 1.55 0.04 0.00 0.00 177.00 177.52 2ctd n VAL 15 N -4.17 -0.37 -2.55 -0.36 3.14 -1.26 -4.42 118.33 108.34 2ctd n VAL 15 Ca 0.05 1.93 -0.23 0.00 -2.96 0.00 0.00 64.34 63.13 2ctd n VAL 15 Cb 0.57 -2.82 0.09 0.00 -1.06 0.00 0.00 33.84 30.63 2ctd n VAL 15 CO 0.00 0.00 0.00 -0.72 -6.46 0.00 0.00 176.83 169.65 2ctd s TYR 16 N -5.85 1.91 -2.03 1.45 -0.85 -1.26 -4.97 117.35 105.75 2ctd s TYR 16 Ca -0.11 -0.16 0.10 0.00 -0.52 0.00 0.00 57.07 56.37 2ctd s TYR 16 Cb 0.26 -2.99 0.51 0.00 0.38 0.00 0.00 41.96 40.11 2ctd s TYR 16 CO 0.68 -1.56 1.34 0.00 -1.52 0.00 0.00 175.55 174.49 2ctd n ALA 17 N -2.78 2.54 -3.11 9.51 0.00 -1.26 -4.87 120.51 120.54 2ctd n ALA 17 Ca 0.13 -0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 2ctd n ALA 17 Cb 0.60 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.99 2ctd n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ctd n ALA 18 N -0.41 -0.92 0.00 0.00 0.00 -1.26 -4.58 120.51 113.33 2ctd n ALA 18 Ca 0.08 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2ctd n ALA 18 Cb 0.09 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.38 2ctd n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ctd n GLY 19 N -1.35 1.01 3.32 0.00 0.00 -1.26 -5.06 105.19 101.84 2ctd n GLY 19 Ca -0.04 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 2ctd n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ctd n SER 20 N 0.00 -2.57 -0.30 1.61 7.64 -1.26 -4.67 113.62 114.07 2ctd n SER 20 Ca 0.00 -0.33 0.13 0.00 1.01 0.00 0.00 58.87 59.68 2ctd n SER 20 Cb 0.00 -1.07 0.28 0.00 -1.01 0.00 0.00 64.21 62.41 2ctd n SER 20 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2ctd h LEU 21 N -2.73 -0.16 -0.78 -3.43 3.38 -2.01 0.76 115.31 110.34 2ctd h LEU 21 Ca -0.53 0.22 0.14 0.00 0.09 0.00 0.00 57.88 57.80 2ctd h LEU 21 Cb 1.29 0.33 -0.14 0.00 0.09 0.00 0.00 40.66 42.24 2ctd h LEU 21 CO 0.39 -0.22 -0.29 -0.33 0.09 0.00 0.00 178.44 178.07 2ctd h GLU 22 N 0.13 -0.06 -0.61 1.13 5.08 -2.00 0.22 114.58 118.48 2ctd h GLU 22 Ca 0.55 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 59.04 2ctd h GLU 22 Cb 1.13 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.29 2ctd h GLU 22 CO -0.73 -0.04 0.02 1.49 -1.00 0.00 0.00 179.01 178.75 2ctd h GLU 23 N -0.06 0.13 0.58 2.33 4.57 -1.11 -0.31 114.58 120.71 2ctd h GLU 23 Ca 0.33 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.47 2ctd h GLU 23 Cb 0.58 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2ctd h GLU 23 CO -0.82 0.09 -0.31 1.96 -1.18 0.00 0.00 179.01 178.74 2ctd h GLN 24 N 0.13 -0.79 -0.93 1.92 4.20 -0.60 -2.88 115.11 116.16 2ctd h GLN 24 Ca 0.32 0.05 0.28 0.00 0.06 0.00 0.00 58.65 59.36 2ctd h GLN 24 Cb 0.52 0.18 -0.15 0.00 0.30 0.00 0.00 27.48 28.33 2ctd h GLN 24 CO -0.51 -0.52 0.33 -1.49 -0.67 0.00 0.00 178.83 175.96 2ctd h TRP 25 N -0.82 0.50 -0.78 2.96 6.55 -0.96 0.38 115.95 123.79 2ctd h TRP 25 Ca -0.08 0.05 0.16 0.00 0.95 0.00 0.00 58.89 59.97 2ctd h TRP 25 Cb 0.64 -0.07 -0.11 0.00 -0.86 0.00 0.00 29.16 28.76 2ctd h TRP 25 CO 0.04 -0.25 0.28 -0.92 -1.05 0.00 0.00 178.44 176.55 2ctd h TYR 26 N 0.20 0.47 0.29 0.49 3.20 -0.85 -1.79 116.97 118.98 2ctd h TYR 26 Ca 0.63 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.54 2ctd h TYR 26 Cb 1.37 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 2ctd h TYR 26 CO -0.20 -0.01 -0.31 -0.07 -1.64 0.00 0.00 178.16 175.93 2ctd h LEU 27 N 0.38 -0.84 -1.42 2.82 3.38 -0.11 -1.04 115.31 118.48 2ctd h LEU 27 Ca 0.45 0.08 0.35 0.00 0.09 0.00 0.00 57.88 58.85 2ctd h LEU 27 Cb 0.75 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 2ctd h LEU 27 CO -0.47 -0.44 1.18 -0.33 0.09 0.00 0.00 178.44 178.47 2ctd h GLU 28 N -0.64 0.00 0.00 1.13 4.39 -1.26 0.50 114.58 118.71 2ctd h GLU 28 Ca -0.01 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 2ctd h GLU 28 Cb 0.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2ctd h GLU 28 CO -0.07 0.00 -0.47 0.82 -1.16 0.00 0.00 179.01 178.13 2ctd h ILE 29 N 0.00 0.55 0.00 3.13 2.04 -1.15 0.19 117.51 122.27 2ctd h ILE 29 Ca 0.57 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.90 2ctd h ILE 29 Cb 2.92 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 40.16 2ctd h ILE 29 CO -0.01 0.19 0.00 1.33 0.00 0.00 0.00 178.15 179.66 2ctd n VAL 30 N -4.61 1.58 -0.02 1.67 0.24 0.46 0.60 118.33 118.24 2ctd n VAL 30 Ca -0.12 0.42 -0.06 0.00 -2.04 0.00 0.00 64.34 62.54 2ctd n VAL 30 Cb 0.34 -1.34 -0.02 0.00 -1.47 0.00 0.00 33.84 31.35 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 -1.57 1.38 0.03 -1.34 2.03 0.15 -4.83 116.55 112.40 2ctd n ASP 31 Ca 0.01 0.21 -0.22 0.00 0.52 0.00 0.00 54.79 55.31 2ctd n ASP 31 Cb 0.07 -0.49 -0.14 0.00 -0.72 0.00 0.00 41.12 39.83 2ctd n ASP 31 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2ctd h LYS 32 N -0.45 0.31 0.00 -0.67 1.79 -0.72 -3.49 116.57 113.34 2ctd h LYS 32 Ca -0.06 -0.52 0.00 0.00 -2.18 0.00 0.00 60.65 57.89 2ctd h LYS 32 Cb 0.60 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2ctd h LYS 32 CO -0.03 1.25 0.00 0.41 -1.08 0.00 0.00 179.45 180.00 2ctd n GLY 33 N 1.86 1.67 3.79 3.86 0.00 0.20 -4.95 105.19 111.61 2ctd n GLY 33 Ca -0.27 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 2ctd n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctd s SER 34 N -1.10 0.06 0.08 1.61 1.04 -1.15 -4.72 113.70 109.53 2ctd s SER 34 Ca 0.00 -1.18 0.07 0.00 0.48 0.00 0.00 55.95 55.32 2ctd s SER 34 Cb 0.00 0.85 -0.03 0.00 0.10 0.00 0.00 66.02 66.94 2ctd s SER 34 CO 0.00 -1.68 -0.19 0.54 0.98 0.00 0.00 173.24 172.89 2ctd s VAL 35 N -2.30 1.56 0.22 5.02 0.11 -0.99 -3.35 120.40 120.67 2ctd s VAL 35 Ca 0.16 -1.40 0.06 0.00 -2.93 0.00 0.00 61.98 57.87 2ctd s VAL 35 Cb -0.05 -1.41 -0.04 0.00 -1.53 0.00 0.00 36.38 33.35 2ctd s VAL 35 CO 0.12 -0.04 0.17 -0.55 -3.33 0.00 0.00 175.10 171.47 2ctd s SER 36 N -1.70 5.51 -0.26 3.54 0.15 -1.26 -0.33 113.70 119.35 2ctd s SER 36 Ca 0.05 -0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.20 2ctd s SER 36 Cb -0.10 -1.41 -0.03 0.00 -1.71 0.00 0.00 66.02 62.77 2ctd s SER 36 CO 0.03 0.00 1.78 0.00 1.20 0.00 0.00 173.24 176.26 2ctd n PRO 38 N 8.13 0.40 -0.08 0.00 -0.04 -1.26 0.94 135.00 143.08 2ctd n PRO 38 Ca 0.22 0.05 -0.07 0.00 -0.04 0.00 0.00 63.50 63.65 2ctd n PRO 38 Cb 0.46 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.10 1.44 -0.07 0.52 -1.04 -1.26 -4.74 114.28 108.02 2ctd n THR 39 Ca 0.10 0.17 -0.08 0.00 -2.04 0.00 0.00 64.05 62.21 2ctd n THR 39 Cb 0.08 -2.34 -0.15 0.00 -1.82 0.00 0.00 70.33 66.09 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 -2.77 -7.59 -0.01 0.00 6.02 0.27 -4.91 117.38 108.39 2ctd n GLN 41 Ca -0.27 0.83 -0.03 0.00 -0.01 0.00 0.00 57.00 57.52 2ctd n GLN 41 Cb 1.08 -5.88 -0.01 0.00 1.02 0.00 0.00 30.24 26.45 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 -4.77 2.62 -2.42 -1.58 0.00 -1.26 -4.92 120.51 108.19 2ctd n ALA 42 Ca -0.07 -0.12 -0.28 0.00 0.00 0.00 0.00 53.44 52.96 2ctd n ALA 42 Cb 0.59 0.46 -0.16 0.00 0.00 0.00 0.00 19.45 20.34 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 -2.05 1.77 0.00 0.00 -7.23 -1.26 -4.98 120.40 106.64 2ctd s VAL 43 Ca -0.04 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 2ctd s VAL 43 Cb 0.01 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.48 2ctd s VAL 43 CO 0.06 0.50 0.00 0.61 -0.31 0.00 0.00 175.10 175.96 2ctd n GLY 44 N 2.57 3.39 3.24 2.32 0.00 -1.26 -2.34 105.19 113.11 2ctd n GLY 44 Ca -0.16 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.50 0.47 0.22 1.61 1.81 0.55 -4.93 118.95 117.18 2ctd s ARG 45 Ca 0.00 0.33 -0.20 0.00 -1.72 0.00 0.00 55.73 54.14 2ctd s ARG 45 Cb 0.00 0.22 0.19 0.00 -0.45 0.00 0.00 34.95 34.92 2ctd s ARG 45 CO 0.00 -0.08 1.55 1.63 -0.68 0.00 0.00 175.30 177.71 2ctd n LYS 46 N 2.50 -0.27 -4.39 3.54 5.02 -1.26 -2.34 118.16 120.96 2ctd n LYS 46 Ca -0.15 1.53 -0.26 0.00 -2.02 0.00 0.00 58.31 57.41 2ctd n LYS 46 Cb 0.57 -2.27 -0.07 0.00 -0.02 0.00 0.00 35.03 33.24 2ctd n LYS 46 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2ctd n THR 47 N -5.43 0.00 0.01 -0.18 -2.24 -1.26 -4.28 114.28 100.89 2ctd n THR 47 Ca 0.09 -2.29 -0.12 0.00 -2.27 0.00 0.00 64.05 59.46 2ctd n THR 47 Cb 0.38 0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 69.25 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 1.53 1.13 -0.85 2.28 2.04 -1.93 -3.09 117.51 118.62 2ctd h ILE 48 Ca -0.34 -0.38 0.15 0.00 1.00 0.00 0.00 64.86 65.29 2ctd h ILE 48 Cb 1.19 1.33 -0.15 0.00 -0.74 0.00 0.00 36.82 38.45 2ctd h ILE 48 CO 0.54 0.10 -0.29 1.21 0.00 0.00 0.00 178.15 179.72 2ctd n GLU 49 N -4.99 -0.15 0.09 2.37 2.13 -1.26 0.08 120.64 118.92 2ctd n GLU 49 Ca -0.07 1.32 -0.12 0.00 0.66 0.00 0.00 57.16 58.94 2ctd n GLU 49 Cb 0.10 -1.96 -0.06 0.00 0.27 0.00 0.00 31.44 29.79 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 -0.20 0.26 8.31 0.00 -1.92 -2.93 103.07 106.59 2ctd h GLY 50 Ca 0.34 0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.84 2ctd h GLY 50 CO -0.86 -0.11 -0.20 -2.00 0.00 0.00 0.00 176.54 173.37 2ctd h LEU 51 N -0.22 -0.65 -0.85 3.11 5.85 -0.31 -1.62 115.31 120.61 2ctd h LEU 51 Ca 0.01 0.12 0.20 0.00 0.84 0.00 0.00 57.88 59.04 2ctd h LEU 51 Cb 0.22 0.31 -0.15 0.00 0.37 0.00 0.00 40.66 41.41 2ctd h LEU 51 CO -0.03 -0.25 -0.04 0.11 -0.34 0.00 0.00 178.44 177.89 2ctd h LYS 52 N -0.22 0.05 -0.46 1.25 1.57 -0.87 0.74 116.57 118.64 2ctd h LYS 52 Ca 0.12 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2ctd h LYS 52 Cb 0.41 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2ctd h LYS 52 CO -0.34 0.04 0.05 -0.22 -0.57 0.00 0.00 179.45 178.41 2ctd h LYS 53 N 0.06 0.72 0.48 3.15 1.63 -1.15 -0.60 116.57 120.85 2ctd h LYS 53 Ca 0.46 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 60.08 2ctd h LYS 53 Cb 0.83 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 2ctd h LYS 53 CO -0.79 0.70 -0.23 1.25 -3.45 0.00 0.00 179.45 176.93 2ctd h HIS 54 N 0.68 -0.60 0.00 1.91 2.76 0.11 -3.04 115.15 116.98 2ctd h HIS 54 Ca 0.14 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2ctd h HIS 54 Cb 0.35 0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.51 2ctd h HIS 54 CO 0.02 -0.27 -0.02 0.00 -1.30 0.00 0.00 177.93 176.35 2ctd h MET 55 N -0.97 0.00 -0.01 5.26 -0.00 -0.74 0.82 114.93 119.29 2ctd h MET 55 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 2ctd h MET 55 Cb 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.19 2ctd h MET 55 CO 0.11 0.02 0.02 0.93 -0.00 0.00 0.00 176.91 177.99 2ctd h GLU 56 N 0.00 0.00 0.00 -0.10 4.39 -0.98 0.12 114.58 118.01 2ctd h GLU 56 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ctd h GLU 56 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2ctd h GLU 56 CO 0.00 0.00 -0.10 0.09 -1.16 0.00 0.00 179.01 177.85 2ctd n ASN 57 N -3.45 0.87 0.00 1.42 3.02 -0.40 -4.77 115.26 111.95 2ctd n ASN 57 Ca -0.03 -1.75 0.00 0.00 -0.03 0.00 0.00 54.58 52.77 2ctd n ASN 57 Cb 0.10 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2ctd n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ctd n LYS 59 N -1.89 0.17 -0.81 0.00 5.02 0.37 -4.84 118.16 116.18 2ctd n LYS 59 Ca 0.00 -0.21 -0.35 0.00 -2.02 0.00 0.00 58.31 55.73 2ctd n LYS 59 Cb 0.45 -1.78 0.11 0.00 -0.02 0.00 0.00 35.03 33.79 2ctd n LYS 59 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2ctd n GLN 60 N 6.71 -0.91 -1.67 1.97 -0.06 -1.26 -4.96 117.38 117.20 2ctd n GLN 60 Ca 0.62 -0.26 -0.30 0.00 -2.00 0.00 0.00 57.00 55.07 2ctd n GLN 60 Cb 0.21 -1.41 0.17 0.00 -4.06 0.00 0.00 30.24 25.15 2ctd n GLN 60 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2ctd s GLU 61 N -2.85 0.55 0.36 3.69 2.02 -1.26 -5.10 118.70 116.12 2ctd s GLU 61 Ca 0.48 -0.11 0.05 0.00 0.02 0.00 0.00 54.97 55.40 2ctd s GLU 61 Cb -0.03 -1.81 -0.07 0.00 0.10 0.00 0.00 34.13 32.32 2ctd s GLU 61 CO 0.67 -2.52 0.04 -1.64 0.02 0.00 0.00 175.26 171.82 2ctd s MET 62 N -5.62 1.79 0.18 1.61 -1.94 -1.26 -5.08 119.30 108.98 2ctd s MET 62 Ca 0.69 -2.01 0.08 0.00 -1.71 0.00 0.00 55.69 52.74 2ctd s MET 62 Cb -0.08 -1.17 -0.04 0.00 2.01 0.00 0.00 34.83 35.54 2ctd s MET 62 CO 0.53 -0.14 -0.15 -0.06 -0.01 0.00 0.00 175.02 175.18 2ctd s PHE 63 N -3.06 1.68 -0.20 -0.03 0.08 -1.26 -5.13 117.98 110.06 2ctd s PHE 63 Ca 0.35 -0.55 -0.08 0.00 0.12 0.00 0.00 56.93 56.77 2ctd s PHE 63 Cb 0.09 -0.81 0.08 0.00 -0.57 0.00 0.00 43.02 41.81 2ctd s PHE 63 CO 0.16 0.31 0.44 0.99 -0.10 0.00 0.00 175.22 177.02 2ctd s THR 64 N -2.63 -0.39 0.89 0.64 2.01 -1.26 -4.00 115.64 110.90 2ctd s THR 64 Ca 0.19 0.12 -0.11 0.00 0.31 0.00 0.00 61.69 62.21 2ctd s THR 64 Cb -0.02 -0.68 0.13 0.00 0.01 0.00 0.00 72.50 71.94 2ctd s THR 64 CO 0.06 0.05 1.12 0.00 -0.69 0.00 0.00 174.62 175.16 2ctd n HIS 66 N -4.04 0.00 0.34 0.00 8.25 -1.26 -3.52 115.22 114.98 2ctd n HIS 66 Ca 0.10 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.43 2ctd n HIS 66 Cb 0.53 -0.70 -0.06 0.00 1.12 0.00 0.00 29.99 30.88 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 -0.80 0.03 4.41 3.86 -2.01 -3.39 115.15 117.26 2ctd h HIS 67 Ca -0.39 -0.02 -0.38 0.00 -1.16 0.00 0.00 60.37 58.42 2ctd h HIS 67 Cb 1.75 0.26 -0.05 0.00 1.06 0.00 0.00 27.41 30.43 2ctd h HIS 67 CO 0.01 -0.50 -2.15 0.00 0.86 0.00 0.00 177.93 176.15 2ctd n GLY 69 N 1.74 1.92 3.75 0.00 0.00 -1.23 -5.04 105.19 106.33 2ctd n GLY 69 Ca -0.43 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.56 2.79 -0.34 1.61 2.20 -1.26 -4.63 119.74 119.54 2ctd s LYS 70 Ca 0.00 1.79 -0.01 0.00 -0.36 0.00 0.00 55.97 57.39 2ctd s LYS 70 Cb 0.00 -1.91 0.12 0.00 -1.51 0.00 0.00 37.83 34.53 2ctd s LYS 70 CO 0.00 -1.34 0.16 -0.65 -0.36 0.00 0.00 175.35 173.16 2ctd s GLN 71 N -3.50 0.69 0.35 4.03 -0.21 -1.26 -1.67 119.66 118.09 2ctd s GLN 71 Ca 0.76 -1.22 0.08 0.00 0.02 0.00 0.00 55.36 55.01 2ctd s GLN 71 Cb -0.30 -1.74 -0.05 0.00 1.00 0.00 0.00 33.01 31.92 2ctd s GLN 71 CO 0.36 -1.08 0.12 -0.51 -2.12 0.00 0.00 175.29 172.06 2ctd s LEU 72 N 1.32 3.19 -0.15 2.90 1.43 -1.26 -5.05 118.68 121.07 2ctd s LEU 72 Ca 0.13 -0.86 0.13 0.00 -1.03 0.00 0.00 54.13 52.51 2ctd s LEU 72 Cb -0.20 -1.62 -0.24 0.00 0.03 0.00 0.00 46.19 44.16 2ctd s LEU 72 CO -0.16 -0.32 0.27 -2.11 0.23 0.00 0.00 176.35 174.26 2ctd n ARG 73 N -1.12 0.67 -3.26 1.70 1.85 -1.26 -4.15 116.66 111.08 2ctd n ARG 73 Ca -0.03 0.13 -0.42 0.00 -1.00 0.00 0.00 57.85 56.52 2ctd n ARG 73 Cb 0.62 -1.63 -0.08 0.00 -1.05 0.00 0.00 32.46 30.32 2ctd n ARG 73 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2ctd s SER 74 N -5.88 6.25 0.07 2.89 1.04 -1.26 -4.93 113.70 111.88 2ctd s SER 74 Ca -0.11 -0.42 -0.16 0.00 0.48 0.00 0.00 55.95 55.74 2ctd s SER 74 Cb 0.07 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 2ctd s SER 74 CO 0.81 -0.59 1.27 0.25 0.98 0.00 0.00 173.24 175.96 2ctd h LEU 75 N 9.19 -1.01 -0.15 2.42 5.85 -2.00 -2.39 115.31 127.23 2ctd h LEU 75 Ca -0.27 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.61 2ctd h LEU 75 Cb 1.11 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 42.56 2ctd h LEU 75 CO 0.81 -0.15 -0.09 0.00 -0.34 0.00 0.00 178.44 178.67 2ctd n ALA 76 N -3.03 -0.09 -0.25 1.25 0.00 -1.26 -0.65 120.51 116.48 2ctd n ALA 76 Ca -0.00 0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.57 2ctd n ALA 76 Cb 0.14 0.37 0.05 0.00 0.00 0.00 0.00 19.45 20.01 2ctd n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ctd n GLY 77 N -1.04 -1.29 0.15 0.00 0.00 -0.92 0.97 105.19 103.06 2ctd n GLY 77 Ca 0.00 0.74 -0.12 0.00 0.00 0.00 0.00 46.02 46.65 2ctd n GLY 77 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ctd h MET 78 N 0.00 -0.19 -1.27 1.61 -1.53 -0.59 -1.69 114.93 111.27 2ctd h MET 78 Ca 0.27 0.01 0.37 0.00 -3.44 0.00 0.00 59.70 56.91 2ctd h MET 78 Cb 0.44 0.04 -0.08 0.00 -0.55 0.00 0.00 31.60 31.45 2ctd h MET 78 CO -0.68 -0.13 0.87 0.87 0.14 0.00 0.00 176.91 177.98 2ctd h LYS 79 N -0.20 0.13 -0.04 0.39 1.79 0.15 0.29 116.57 119.09 2ctd h LYS 79 Ca 0.03 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.37 2ctd h LYS 79 Cb 0.23 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 30.86 2ctd h LYS 79 CO -0.08 0.09 -0.44 -0.92 -1.08 0.00 0.00 179.45 177.01 2ctd h TYR 80 N 0.14 0.52 -1.10 -1.35 3.20 -0.73 -3.21 116.97 114.44 2ctd h TYR 80 Ca 0.68 -0.26 0.35 0.00 3.14 0.00 0.00 58.73 62.64 2ctd h TYR 80 Cb 2.30 -0.07 -0.14 0.00 1.54 0.00 0.00 36.73 40.36 2ctd h TYR 80 CO -0.00 1.04 0.67 1.12 -1.64 0.00 0.00 178.16 179.34 2ctd h HIS 81 N -0.15 0.76 0.55 -3.82 2.07 0.06 0.48 115.15 115.09 2ctd h HIS 81 Ca -0.05 0.03 -0.03 0.00 -2.85 0.00 0.00 60.37 57.48 2ctd h HIS 81 Cb 1.14 -0.20 0.01 0.00 2.57 0.00 0.00 27.41 30.92 2ctd h HIS 81 CO 0.14 -0.16 -0.26 0.28 -3.07 0.00 0.00 177.93 174.86 2ctd h VAL 82 N 0.25 0.00 0.00 6.12 2.07 -1.54 0.14 116.25 123.30 2ctd h VAL 82 Ca 0.74 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.82 2ctd h VAL 82 Cb 1.93 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2ctd h VAL 82 CO -0.51 0.00 0.00 0.24 0.02 0.00 0.00 177.57 177.32 2ctd h MET 83 N -1.17 0.00 0.00 1.57 2.07 -1.21 0.66 114.93 116.84 2ctd h MET 83 Ca -0.08 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 2ctd h MET 83 Cb 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.29 2ctd h MET 83 CO 0.12 0.00 -0.08 0.00 1.07 0.00 0.00 176.91 178.03 2ctd n ALA 84 N -1.81 0.07 -0.03 6.32 0.00 0.16 -3.93 120.51 121.28 2ctd n ALA 84 Ca -0.02 -0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.11 2ctd n ALA 84 Cb 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.15 0.13 -0.29 0.00 2.35 -0.68 -3.20 115.58 113.75 2ctd h ASN 85 Ca 0.00 -0.64 -0.18 0.00 -0.55 0.00 0.00 56.30 54.93 2ctd h ASN 85 Cb 0.08 -0.04 -0.09 0.00 0.05 0.00 0.00 38.32 38.32 2ctd h ASN 85 CO 0.00 0.75 0.23 1.41 -1.65 0.00 0.00 177.43 178.17 2ctd n HIS 86 N -4.67 0.92 -2.08 1.19 8.25 0.23 -4.90 115.22 114.17 2ctd n HIS 86 Ca -0.09 -1.32 -0.43 0.00 -0.26 0.00 0.00 57.72 55.62 2ctd n HIS 86 Cb 0.37 -0.65 -0.03 0.00 1.12 0.00 0.00 29.99 30.80 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 0.68 5.96 0.42 0.41 3.84 -1.10 -4.63 114.94 120.52 2ctd s ASN 87 Ca 0.18 1.15 0.07 0.00 0.21 0.00 0.00 52.86 54.47 2ctd s ASN 87 Cb 0.14 -2.53 -0.07 0.00 -0.55 0.00 0.00 41.25 38.25 2ctd s ASN 87 CO 0.01 -1.68 0.06 -0.44 -2.79 0.00 0.00 177.10 172.25 2ctd s SER 88 N 5.71 4.04 0.05 -4.21 0.01 -1.26 -5.06 113.70 112.98 2ctd s SER 88 Ca 0.75 -1.32 0.05 0.00 1.31 0.00 0.00 55.95 56.74 2ctd s SER 88 Cb -0.20 -0.35 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 2ctd s SER 88 CO 0.33 -0.51 -0.09 -1.48 0.41 0.00 0.00 173.24 171.90 2ctd s LEU 89 N -3.77 3.07 -0.34 2.44 2.34 -1.26 -5.07 118.68 116.08 2ctd s LEU 89 Ca 0.35 -0.27 -0.29 0.00 0.06 0.00 0.00 54.13 53.98 2ctd s LEU 89 Cb 0.08 -1.81 -0.01 0.00 -0.56 0.00 0.00 46.19 43.89 2ctd s LEU 89 CO 0.18 0.24 1.70 -2.16 -1.06 0.00 0.00 176.35 175.24 2ctd s PRO 90 N -1.76 3.42 -0.03 1.48 0.04 -1.26 -4.90 135.00 132.00 2ctd s PRO 90 Ca 0.19 1.32 -0.24 0.00 0.04 0.00 0.00 61.00 62.31 2ctd s PRO 90 Cb -0.11 -4.15 -0.18 0.00 0.04 0.00 0.00 34.50 30.10 2ctd s PRO 90 CO 0.10 -1.75 1.10 0.66 0.04 0.00 0.00 177.00 177.15 2ctd h SER 91 N 12.23 -0.15 0.00 6.66 4.64 -2.05 -3.50 113.55 131.38 2ctd h SER 91 Ca -0.32 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 2ctd h SER 91 Cb 1.15 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2ctd h SER 91 CO 1.04 0.34 0.00 0.61 -0.87 0.00 0.00 176.83 177.96 2ctd n GLY 92 N 0.26 -1.19 3.55 -0.77 0.00 -1.26 -5.08 105.19 100.70 2ctd n GLY 92 Ca -0.08 0.70 -0.33 0.00 0.00 0.00 0.00 46.02 46.31 2ctd n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctd s PRO 93 N 1.45 2.59 -0.11 1.61 0.04 -1.26 -4.72 135.00 134.60 2ctd s PRO 93 Ca 0.00 0.19 -0.10 0.00 0.04 0.00 0.00 61.00 61.13 2ctd s PRO 93 Cb 0.00 -4.71 -0.05 0.00 0.04 0.00 0.00 34.50 29.79 2ctd s PRO 93 CO 0.00 -3.04 -0.22 0.43 0.04 0.00 0.00 177.00 174.21 2ctd n SER 94 N 13.34 1.49 -4.41 6.66 7.64 -1.26 -5.03 113.62 132.06 2ctd n SER 94 Ca 0.30 0.24 -0.32 0.00 1.01 0.00 0.00 58.87 60.10 2ctd n SER 94 Cb 0.50 -0.56 -0.14 0.00 -1.01 0.00 0.00 64.21 62.99 2ctd n SER 94 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ctd s SER 95 N -6.14 3.61 0.00 6.43 0.15 -1.26 -5.23 113.70 111.26 2ctd s SER 95 Ca -0.20 -0.31 0.19 0.00 0.70 0.00 0.00 55.95 56.33 2ctd s SER 95 Cb 0.05 -0.63 1.11 0.00 -1.71 0.00 0.00 66.02 64.84 2ctd s SER 95 CO 0.28 0.33 1.51 0.61 1.20 0.00 0.00 173.24 177.17