#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 4.28 0.19 1.61 0.01 -1.26 -5.15 113.70 113.39 2ctd s SER 2 Ca 0.00 -1.02 -0.24 0.00 1.31 0.00 0.00 55.95 56.01 2ctd s SER 2 Cb 0.00 -0.53 0.05 0.00 0.21 0.00 0.00 66.02 65.75 2ctd s SER 2 CO 0.00 -0.34 0.89 -0.55 0.41 0.00 0.00 173.24 173.65 2ctd s SER 3 N -3.78 -0.20 0.00 2.44 0.15 -1.26 -5.19 113.70 105.86 2ctd s SER 3 Ca 0.37 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.54 2ctd s SER 3 Cb 0.01 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 2ctd s SER 3 CO 0.20 -1.05 0.00 0.61 1.20 0.00 0.00 173.24 174.21 2ctd n GLY 4 N -0.47 5.49 2.99 9.45 0.00 -1.26 -5.18 105.19 116.22 2ctd n GLY 4 Ca -0.05 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 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 1.00 0.66 -0.02 1.61 1.04 -1.26 -5.16 113.70 111.58 2ctd s SER 5 Ca 0.00 -0.27 -0.27 0.00 0.48 0.00 0.00 55.95 55.89 2ctd s SER 5 Cb 0.00 -0.02 0.06 0.00 0.10 0.00 0.00 66.02 66.16 2ctd s SER 5 CO 0.00 -0.05 0.59 -0.55 0.98 0.00 0.00 173.24 174.21 2ctd s SER 6 N -0.71 -0.55 0.00 7.02 0.15 -1.26 -5.11 113.70 113.25 2ctd s SER 6 Ca -0.03 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2ctd s SER 6 Cb -0.05 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2ctd s SER 6 CO 0.00 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.43 2ctd n GLY 7 N 0.81 0.91 3.47 9.45 0.00 -1.26 -5.12 105.19 113.46 2ctd n GLY 7 Ca -0.19 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 3.08 0.07 1.61 3.00 -1.26 -5.06 118.95 120.39 2ctd s ARG 8 Ca 0.00 -0.94 0.08 0.00 0.00 0.00 0.00 55.73 54.87 2ctd s ARG 8 Cb 0.00 -3.93 -0.03 0.00 0.00 0.00 0.00 34.95 30.99 2ctd s ARG 8 CO 0.00 -0.68 -0.21 0.42 0.00 0.00 0.00 175.30 174.83 2ctd s ILE 9 N 1.69 1.69 -0.56 1.52 1.01 -1.26 -5.06 121.20 120.23 2ctd s ILE 9 Ca 0.05 -1.38 0.03 0.00 0.00 0.00 0.00 60.65 59.35 2ctd s ILE 9 Cb -0.19 -1.51 0.40 0.00 0.01 0.00 0.00 42.46 41.17 2ctd s ILE 9 CO 0.10 0.07 1.34 0.54 0.00 0.00 0.00 174.94 176.99 2ctd n ARG 10 N 1.45 3.29 -3.28 2.79 5.12 -1.26 -4.91 116.66 119.86 2ctd n ARG 10 Ca -0.18 -4.29 -0.24 0.00 -1.93 0.00 0.00 57.85 51.21 2ctd n ARG 10 Cb 0.53 -2.26 -0.04 0.00 -1.16 0.00 0.00 32.46 29.53 2ctd n ARG 10 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2ctd n LYS 11 N -0.47 -1.18 -2.39 5.56 2.85 -1.26 -4.79 118.16 116.48 2ctd n LYS 11 Ca 0.42 0.08 -0.43 0.00 -1.05 0.00 0.00 58.31 57.34 2ctd n LYS 11 Cb 0.53 -3.37 -0.02 0.00 -0.65 0.00 0.00 35.03 31.52 2ctd n LYS 11 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2ctd s GLU 12 N -5.06 4.27 0.61 -1.58 2.02 -1.26 -5.01 118.70 112.70 2ctd s GLU 12 Ca 0.46 1.73 -0.17 0.00 0.02 0.00 0.00 54.97 57.02 2ctd s GLU 12 Cb -0.27 -3.69 -0.03 0.00 0.10 0.00 0.00 34.13 30.25 2ctd s GLU 12 CO 0.57 -0.61 1.12 -1.25 0.02 0.00 0.00 175.26 175.10 2ctd s PRO 13 N 2.98 3.05 0.80 0.39 0.04 -1.26 -5.05 135.00 135.95 2ctd s PRO 13 Ca 0.57 1.48 -0.13 0.00 0.04 0.00 0.00 61.00 62.96 2ctd s PRO 13 Cb -0.24 -1.98 0.20 0.00 0.04 0.00 0.00 34.50 32.52 2ctd s PRO 13 CO 0.19 -1.07 0.71 -0.35 0.04 0.00 0.00 177.00 176.52 2ctd n PRO 14 N -1.93 -2.41 -0.23 0.56 -0.04 -1.26 -4.92 135.00 124.76 2ctd n PRO 14 Ca 0.11 -1.14 0.01 0.00 -0.04 0.00 0.00 63.50 62.44 2ctd n PRO 14 Cb 0.52 -1.07 0.13 0.00 -0.04 0.00 0.00 33.50 33.04 2ctd n PRO 14 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2ctd h VAL 15 N -2.31 0.80 -3.13 0.52 3.04 -2.05 -3.42 116.25 109.70 2ctd h VAL 15 Ca -0.27 -0.18 -0.47 0.00 -1.01 0.00 0.00 66.70 64.77 2ctd h VAL 15 Cb 0.82 0.23 0.04 0.00 -2.01 0.00 0.00 31.29 30.37 2ctd h VAL 15 CO 0.17 0.10 0.00 -0.72 -1.01 0.00 0.00 177.57 176.11 2ctd s TYR 16 N -6.06 3.31 0.85 3.17 -0.85 -1.26 -5.09 117.35 111.41 2ctd s TYR 16 Ca -0.13 0.44 -0.13 0.00 -0.52 0.00 0.00 57.07 56.74 2ctd s TYR 16 Cb 0.18 -2.39 0.11 0.00 0.38 0.00 0.00 41.96 40.23 2ctd s TYR 16 CO 0.76 -0.43 1.19 0.00 -1.52 0.00 0.00 175.55 175.54 2ctd s ALA 17 N -2.68 2.40 -0.10 9.51 0.00 -1.26 -4.92 121.76 124.69 2ctd s ALA 17 Ca 0.49 -0.69 -0.04 0.00 0.00 0.00 0.00 51.96 51.72 2ctd s ALA 17 Cb -0.10 -2.95 -0.12 0.00 0.00 0.00 0.00 23.12 19.95 2ctd s ALA 17 CO 0.41 -1.91 3.01 0.00 0.00 0.00 0.00 175.76 177.26 2ctd n ALA 18 N -3.48 5.79 0.00 0.00 0.00 -1.26 -3.74 120.51 117.82 2ctd n ALA 18 Ca 0.09 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.88 2ctd n ALA 18 Cb 0.60 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 1.83 0.00 3.48 0.00 0.00 -1.26 -5.17 105.19 104.07 2ctd n GLY 19 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 2ctd n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctd s SER 20 N 0.00 3.83 0.46 1.61 1.04 -1.25 -5.00 113.70 114.39 2ctd s SER 20 Ca 0.00 -0.58 0.34 0.00 0.48 0.00 0.00 55.95 56.19 2ctd s SER 20 Cb 0.00 -0.51 1.50 0.00 0.10 0.00 0.00 66.02 67.11 2ctd s SER 20 CO 0.00 0.18 1.60 -0.07 0.98 0.00 0.00 173.24 175.93 2ctd h LEU 21 N 3.76 0.19 0.17 2.42 3.38 -2.01 0.83 115.31 124.05 2ctd h LEU 21 Ca -0.50 0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.61 2ctd h LEU 21 Cb 1.17 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 2ctd h LEU 21 CO 0.45 -0.19 -0.49 -0.33 0.09 0.00 0.00 178.44 177.97 2ctd h GLU 22 N 0.04 -0.72 -0.80 1.13 5.08 -1.94 -1.08 114.58 116.28 2ctd h GLU 22 Ca 0.86 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 59.43 2ctd h GLU 22 Cb 2.84 0.16 -0.15 0.00 0.50 0.00 0.00 28.75 32.10 2ctd h GLU 22 CO -0.39 -0.48 -0.17 1.49 -1.00 0.00 0.00 179.01 178.47 2ctd h GLU 23 N -0.74 0.01 0.47 2.33 4.57 -1.10 -0.02 114.58 120.10 2ctd h GLU 23 Ca -0.01 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2ctd h GLU 23 Cb 0.73 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 2ctd h GLU 23 CO -0.23 0.01 -0.40 1.96 -1.18 0.00 0.00 179.01 179.16 2ctd h GLN 24 N 0.01 -0.82 -0.89 1.92 4.20 -1.40 -2.52 115.11 115.61 2ctd h GLN 24 Ca 0.39 0.06 0.23 0.00 0.06 0.00 0.00 58.65 59.39 2ctd h GLN 24 Cb 0.62 0.19 -0.13 0.00 0.30 0.00 0.00 27.48 28.46 2ctd h GLN 24 CO -0.81 -0.55 0.32 -1.49 -0.67 0.00 0.00 178.83 175.64 2ctd h TRP 25 N -0.85 0.51 -0.19 2.96 6.55 -0.26 -0.27 115.95 124.40 2ctd h TRP 25 Ca -0.06 0.05 0.06 0.00 0.95 0.00 0.00 58.89 59.88 2ctd h TRP 25 Cb 0.72 -0.08 -0.07 0.00 -0.86 0.00 0.00 29.16 28.87 2ctd h TRP 25 CO -0.17 -0.14 -0.27 -0.92 -1.05 0.00 0.00 178.44 175.89 2ctd h TYR 26 N 0.29 -0.73 -0.30 0.49 3.20 -0.63 -2.46 116.97 116.83 2ctd h TYR 26 Ca 0.57 0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.54 2ctd h TYR 26 Cb 1.13 0.35 -0.08 0.00 1.54 0.00 0.00 36.73 39.67 2ctd h TYR 26 CO -0.19 -0.35 -0.41 -0.07 -1.64 0.00 0.00 178.16 175.50 2ctd h LEU 27 N -0.31 -1.32 -1.89 2.82 3.38 -0.67 0.24 115.31 117.56 2ctd h LEU 27 Ca 0.12 0.20 0.52 0.00 0.09 0.00 0.00 57.88 58.80 2ctd h LEU 27 Cb 0.49 0.57 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 2ctd h LEU 27 CO -0.37 -0.38 1.24 -0.08 0.09 0.00 0.00 178.44 178.94 2ctd h GLU 28 N -0.37 0.01 0.00 1.13 4.57 -1.26 0.43 114.58 119.09 2ctd h GLU 28 Ca 0.12 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 2ctd h GLU 28 Cb 0.59 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.17 2ctd h GLU 28 CO -0.50 0.01 -0.26 0.82 -1.18 0.00 0.00 179.01 177.90 2ctd h ILE 29 N 0.01 0.50 0.00 2.32 2.04 -0.47 -1.01 117.51 120.91 2ctd h ILE 29 Ca 0.87 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2ctd h ILE 29 Cb 3.36 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 40.44 2ctd h ILE 29 CO -0.08 0.17 0.12 -0.37 0.00 0.00 0.00 178.15 177.98 2ctd h VAL 30 N -1.00 0.00 0.00 1.67 -1.51 0.31 1.06 116.25 116.78 2ctd h VAL 30 Ca -0.04 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.38 2ctd h VAL 30 Cb 0.48 0.61 -0.01 0.00 -2.13 0.00 0.00 31.29 30.25 2ctd h VAL 30 CO -0.02 0.00 -1.06 -0.67 -1.23 0.00 0.00 177.57 174.59 2ctd n ASP 31 N -2.55 1.91 -0.11 4.19 -0.08 0.13 -4.80 116.55 115.24 2ctd n ASP 31 Ca -0.02 0.40 -0.23 0.00 -1.51 0.00 0.00 54.79 53.44 2ctd n ASP 31 Cb 0.16 -0.78 -0.11 0.00 2.34 0.00 0.00 41.12 42.72 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 -4.47 0.57 0.00 -0.67 4.76 -0.40 -5.02 118.16 112.92 2ctd n LYS 32 Ca -0.17 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 2ctd n LYS 32 Cb 0.51 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 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 1.41 0.94 3.55 0.72 0.00 0.36 -4.99 105.19 107.19 2ctd n GLY 33 Ca -0.34 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.25 -0.11 0.06 1.61 1.04 -1.25 -4.75 113.70 110.05 2ctd s SER 34 Ca 0.00 -0.82 0.09 0.00 0.48 0.00 0.00 55.95 55.70 2ctd s SER 34 Cb 0.00 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 2ctd s SER 34 CO 0.00 -1.09 -0.25 0.54 0.98 0.00 0.00 173.24 173.42 2ctd s VAL 35 N -3.98 2.02 0.47 5.02 0.11 -0.78 -3.63 120.40 119.63 2ctd s VAL 35 Ca 0.19 -1.40 0.01 0.00 -2.93 0.00 0.00 61.98 57.85 2ctd s VAL 35 Cb -0.00 -1.75 0.01 0.00 -1.53 0.00 0.00 36.38 33.11 2ctd s VAL 35 CO 0.05 0.27 0.69 -0.55 -3.33 0.00 0.00 175.10 172.23 2ctd s SER 36 N -1.36 5.66 -0.27 3.54 0.15 -1.26 -1.78 113.70 118.39 2ctd s SER 36 Ca 0.11 0.14 -0.24 0.00 0.70 0.00 0.00 55.95 56.66 2ctd s SER 36 Cb -0.10 -1.28 -0.00 0.00 -1.71 0.00 0.00 66.02 62.93 2ctd s SER 36 CO 0.03 -0.82 0.83 0.00 1.20 0.00 0.00 173.24 174.48 2ctd n PRO 38 N 6.14 0.17 -0.04 0.00 -0.04 -1.26 0.50 135.00 140.48 2ctd n PRO 38 Ca 0.05 0.16 -0.04 0.00 -0.04 0.00 0.00 63.50 63.64 2ctd n PRO 38 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.32 0.77 0.01 0.52 -1.04 -1.26 -4.73 114.28 107.23 2ctd n THR 39 Ca 0.06 0.33 -0.13 0.00 -2.04 0.00 0.00 64.05 62.27 2ctd n THR 39 Cb 0.13 -1.96 -0.14 0.00 -1.82 0.00 0.00 70.33 66.54 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 -3.25 -7.13 -0.03 0.00 6.02 0.18 -4.88 117.38 108.29 2ctd n GLN 41 Ca -0.19 0.76 -0.05 0.00 -0.01 0.00 0.00 57.00 57.52 2ctd n GLN 41 Cb 1.04 -5.76 -0.03 0.00 1.02 0.00 0.00 30.24 26.51 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 -4.85 2.00 -2.44 -1.58 0.00 -1.26 -4.90 120.51 107.48 2ctd n ALA 42 Ca 0.02 -0.27 -0.22 0.00 0.00 0.00 0.00 53.44 52.96 2ctd n ALA 42 Cb 0.55 0.36 -0.09 0.00 0.00 0.00 0.00 19.45 20.27 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 -2.13 0.69 0.37 0.00 -7.23 -1.26 -5.01 120.40 105.83 2ctd s VAL 43 Ca -0.09 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.04 2ctd s VAL 43 Cb 0.03 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.46 2ctd s VAL 43 CO 0.14 0.00 0.56 -0.83 -0.31 0.00 0.00 175.10 174.66 2ctd s GLY 44 N -3.50 1.36 0.30 2.32 0.00 -1.26 -1.62 107.32 104.91 2ctd s GLY 44 Ca 0.31 -1.42 0.03 0.00 0.00 0.00 0.00 44.72 43.64 2ctd s GLY 44 CO 0.15 -0.87 0.08 0.50 0.00 0.00 0.00 173.10 172.95 2ctd s ARG 45 N -2.71 1.56 0.07 2.90 0.52 -0.73 -4.95 118.95 115.61 2ctd s ARG 45 Ca 0.28 -1.86 -0.26 0.00 -0.52 0.00 0.00 55.73 53.37 2ctd s ARG 45 Cb -0.02 -0.61 -0.16 0.00 0.52 0.00 0.00 34.95 34.68 2ctd s ARG 45 CO 0.20 -0.24 1.65 -0.22 0.02 0.00 0.00 175.30 176.72 2ctd h LYS 46 N 2.22 -0.25 0.00 3.54 3.11 -1.88 -2.08 116.57 121.22 2ctd h LYS 46 Ca -0.40 0.02 -0.39 0.00 -2.81 0.00 0.00 60.65 57.07 2ctd h LYS 46 Cb 1.25 0.06 -0.07 0.00 -1.00 0.00 0.00 32.23 32.46 2ctd h LYS 46 CO 0.66 -0.13 -0.29 0.25 -2.81 0.00 0.00 179.45 177.13 2ctd n THR 47 N -5.18 0.00 -0.06 1.00 -2.24 -1.26 -4.36 114.28 102.18 2ctd n THR 47 Ca -0.09 -1.44 -0.12 0.00 -2.27 0.00 0.00 64.05 60.13 2ctd n THR 47 Cb 0.15 0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 68.57 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 1.17 1.52 -0.80 2.28 2.04 -1.93 -3.26 117.51 118.54 2ctd h ILE 48 Ca -0.25 -2.05 0.13 0.00 1.00 0.00 0.00 64.86 63.69 2ctd h ILE 48 Cb 0.76 2.83 -0.13 0.00 -0.74 0.00 0.00 36.82 39.54 2ctd h ILE 48 CO 0.41 0.50 -0.30 -0.62 0.00 0.00 0.00 178.15 178.14 2ctd n GLU 49 N -4.66 -0.17 -0.32 2.37 -0.58 -1.26 0.16 120.64 116.18 2ctd n GLU 49 Ca -0.09 1.23 -0.04 0.00 -0.42 0.00 0.00 57.16 57.84 2ctd n GLU 49 Cb 0.40 -1.82 0.10 0.00 -0.57 0.00 0.00 31.44 29.55 2ctd n GLU 49 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2ctd h GLY 50 N 0.00 1.31 0.91 0.62 0.00 -2.00 -3.01 103.07 100.90 2ctd h GLY 50 Ca 0.29 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2ctd h GLY 50 CO -0.79 0.58 -0.07 -2.00 0.00 0.00 0.00 176.54 174.25 2ctd h LEU 51 N 1.22 -0.18 -0.95 3.11 5.85 0.15 -2.90 115.31 121.62 2ctd h LEU 51 Ca 0.30 -0.07 0.25 0.00 0.84 0.00 0.00 57.88 59.20 2ctd h LEU 51 Cb 0.05 0.05 -0.18 0.00 0.37 0.00 0.00 40.66 40.95 2ctd h LEU 51 CO -0.05 -0.04 -0.01 0.11 -0.34 0.00 0.00 178.44 178.11 2ctd h LYS 52 N -0.30 0.03 -0.28 1.25 1.57 -0.76 1.60 116.57 119.68 2ctd h LYS 52 Ca -0.02 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2ctd h LYS 52 Cb 0.24 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2ctd h LYS 52 CO 0.04 0.02 0.06 0.87 -0.57 0.00 0.00 179.45 179.87 2ctd h LYS 53 N 0.03 0.40 0.23 3.15 6.56 -1.50 0.95 116.57 126.38 2ctd h LYS 53 Ca 0.56 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 60.08 2ctd h LYS 53 Cb 1.09 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 2ctd h LYS 53 CO -0.89 0.38 -0.11 1.25 -2.06 0.00 0.00 179.45 178.01 2ctd h HIS 54 N 0.39 -0.28 0.00 -1.35 2.76 0.24 -3.21 115.15 113.69 2ctd h HIS 54 Ca 0.10 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 2ctd h HIS 54 Cb 0.16 0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 2ctd h HIS 54 CO 0.00 0.09 -0.08 0.00 -1.30 0.00 0.00 177.93 176.65 2ctd h MET 55 N -0.89 0.00 -0.60 5.26 -0.00 -0.86 0.17 114.93 118.01 2ctd h MET 55 Ca -0.03 0.00 0.12 0.00 -0.00 0.00 0.00 59.70 59.79 2ctd h MET 55 Cb 0.50 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 32.01 2ctd h MET 55 CO 0.05 0.08 0.04 0.93 -0.00 0.00 0.00 176.91 178.01 2ctd h GLU 56 N 0.00 0.15 0.00 -0.10 4.39 -0.81 0.20 114.58 118.41 2ctd h GLU 56 Ca -0.00 -0.01 -0.38 0.00 0.34 0.00 0.00 59.36 59.31 2ctd h GLU 56 Cb 0.19 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.73 2ctd h GLU 56 CO 0.01 0.10 -2.43 0.27 -1.16 0.00 0.00 179.01 175.80 2ctd n ASN 57 N -5.23 1.39 -0.23 1.42 6.94 -1.05 -4.46 115.26 114.03 2ctd n ASN 57 Ca 0.09 -0.09 -0.03 0.00 -0.02 0.00 0.00 54.58 54.53 2ctd n ASN 57 Cb 0.34 0.05 0.08 0.00 -2.36 0.00 0.00 39.78 37.89 2ctd n ASN 57 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ctd n LYS 59 N -4.72 0.20 -1.80 0.00 4.81 0.70 -4.91 118.16 112.43 2ctd n LYS 59 Ca 0.07 0.06 -0.17 0.00 -0.87 0.00 0.00 58.31 57.40 2ctd n LYS 59 Cb 0.12 -1.66 0.10 0.00 0.02 0.00 0.00 35.03 33.60 2ctd n LYS 59 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2ctd n GLN 60 N 7.17 -0.16 -2.88 1.64 6.02 -1.26 -5.01 117.38 122.90 2ctd n GLN 60 Ca 0.50 -1.77 -0.14 0.00 -0.01 0.00 0.00 57.00 55.58 2ctd n GLN 60 Cb 0.00 -0.59 -0.01 0.00 1.02 0.00 0.00 30.24 30.66 2ctd n GLN 60 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2ctd n GLU 61 N -2.46 1.21 -0.57 -1.09 0.28 -1.26 -5.12 120.64 111.63 2ctd n GLU 61 Ca 0.11 -1.71 -0.29 0.00 -0.16 0.00 0.00 57.16 55.11 2ctd n GLU 61 Cb 0.41 0.29 0.24 0.00 1.43 0.00 0.00 31.44 33.81 2ctd n GLU 61 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2ctd s MET 62 N -3.01 -0.55 0.35 3.44 -1.94 -1.26 -5.01 119.30 111.31 2ctd s MET 62 Ca 0.09 1.00 0.03 0.00 -1.71 0.00 0.00 55.69 55.10 2ctd s MET 62 Cb -0.01 -1.58 -0.01 0.00 2.01 0.00 0.00 34.83 35.24 2ctd s MET 62 CO 0.06 -3.53 0.40 1.19 -0.01 0.00 0.00 175.02 173.13 2ctd n PHE 63 N -4.80 -1.16 -3.43 -0.03 3.72 -1.26 -5.14 117.46 105.36 2ctd n PHE 63 Ca 0.05 -2.65 0.01 0.00 -0.05 0.00 0.00 57.45 54.81 2ctd n PHE 63 Cb 0.54 0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 39.48 2ctd n PHE 63 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2ctd s THR 64 N -3.10 -0.76 0.97 4.37 2.01 -1.26 -4.38 115.64 113.48 2ctd s THR 64 Ca 0.35 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.24 2ctd s THR 64 Cb 0.00 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.63 2ctd s THR 64 CO 0.25 0.00 0.79 0.00 -0.69 0.00 0.00 174.62 174.97 2ctd n HIS 66 N -4.09 0.00 0.00 0.00 8.25 -1.26 -3.30 115.22 114.82 2ctd n HIS 66 Ca 0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.43 2ctd n HIS 66 Cb 0.53 -0.55 -0.06 0.00 1.12 0.00 0.00 29.99 31.04 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 0.11 0.00 4.41 3.86 -2.01 -3.38 115.15 118.14 2ctd h HIS 67 Ca -0.31 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.75 2ctd h HIS 67 Cb 1.60 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 30.00 2ctd h HIS 67 CO 0.01 0.10 -1.54 0.00 0.86 0.00 0.00 177.93 177.36 2ctd n GLY 69 N 2.73 1.83 3.73 0.00 0.00 -1.21 -5.04 105.19 107.23 2ctd n GLY 69 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.39 2.38 -0.28 1.61 2.20 -1.26 -4.62 119.74 119.38 2ctd s LYS 70 Ca 0.00 1.73 -0.02 0.00 -0.36 0.00 0.00 55.97 57.32 2ctd s LYS 70 Cb 0.00 -1.86 0.09 0.00 -1.51 0.00 0.00 37.83 34.55 2ctd s LYS 70 CO 0.00 -1.65 0.09 -0.65 -0.36 0.00 0.00 175.35 172.78 2ctd s GLN 71 N -3.82 0.60 0.37 4.03 -0.21 -1.26 -1.86 119.66 117.51 2ctd s GLN 71 Ca 0.74 -0.80 0.08 0.00 0.02 0.00 0.00 55.36 55.40 2ctd s GLN 71 Cb -0.28 -1.85 -0.07 0.00 1.00 0.00 0.00 33.01 31.80 2ctd s GLN 71 CO 0.43 -0.91 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.14 2ctd s LEU 72 N 1.77 2.79 -0.18 2.90 1.43 -1.26 -5.08 118.68 121.06 2ctd s LEU 72 Ca 0.07 -1.28 -0.17 0.00 -1.03 0.00 0.00 54.13 51.72 2ctd s LEU 72 Cb -0.17 -0.94 -0.13 0.00 0.03 0.00 0.00 46.19 44.97 2ctd s LEU 72 CO -0.23 -0.32 0.11 -0.09 0.23 0.00 0.00 176.35 176.05 2ctd h ARG 73 N 1.91 0.00 -6.07 1.70 1.12 -1.99 -3.37 114.38 107.67 2ctd h ARG 73 Ca -0.43 0.00 -0.56 0.00 -1.11 0.00 0.00 59.98 57.88 2ctd h ARG 73 Cb 1.25 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 31.15 2ctd h ARG 73 CO 0.75 0.63 0.19 -1.54 -3.11 0.00 0.00 179.97 176.88 2ctd s SER 74 N -6.38 7.04 0.10 -3.80 1.04 -1.26 -4.85 113.70 105.58 2ctd s SER 74 Ca -0.22 1.26 -0.32 0.00 0.48 0.00 0.00 55.95 57.15 2ctd s SER 74 Cb 0.04 -2.44 -0.12 0.00 0.10 0.00 0.00 66.02 63.59 2ctd s SER 74 CO 0.45 -0.19 1.60 0.25 0.98 0.00 0.00 173.24 176.32 2ctd h LEU 75 N 7.06 -1.11 -0.87 2.42 5.85 -1.89 -2.93 115.31 123.84 2ctd h LEU 75 Ca -0.39 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.52 2ctd h LEU 75 Cb 1.19 0.39 -0.10 0.00 0.37 0.00 0.00 40.66 42.50 2ctd h LEU 75 CO 0.77 -0.52 -0.51 0.00 -0.34 0.00 0.00 178.44 177.84 2ctd n ALA 76 N -2.74 -0.56 -0.32 1.25 0.00 -1.26 0.53 120.51 117.41 2ctd n ALA 76 Ca -0.09 0.74 0.17 0.00 0.00 0.00 0.00 53.44 54.26 2ctd n ALA 76 Cb 0.38 -0.09 0.36 0.00 0.00 0.00 0.00 19.45 20.11 2ctd n ALA 76 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ctd h GLY 77 N 0.00 1.68 0.38 0.00 0.00 -1.94 -1.42 103.07 101.76 2ctd h GLY 77 Ca 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2ctd h GLY 77 CO -0.82 -0.38 -0.18 1.98 0.00 0.00 0.00 176.54 177.14 2ctd h MET 78 N 0.32 -0.49 -1.38 4.80 -1.53 0.25 -2.84 114.93 114.05 2ctd h MET 78 Ca 0.62 0.03 0.40 0.00 -3.44 0.00 0.00 59.70 57.32 2ctd h MET 78 Cb 1.29 0.11 -0.06 0.00 -0.55 0.00 0.00 31.60 32.40 2ctd h MET 78 CO -0.60 -0.33 1.26 0.87 0.14 0.00 0.00 176.91 178.25 2ctd h LYS 79 N -0.99 0.00 0.19 0.39 1.57 -0.13 1.89 116.57 119.48 2ctd h LYS 79 Ca -0.05 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.41 2ctd h LYS 79 Cb 0.39 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.72 2ctd h LYS 79 CO 0.09 0.00 -1.41 -0.92 -0.57 0.00 0.00 179.45 176.63 2ctd h TYR 80 N 0.00 0.74 -0.95 -1.35 5.03 -1.24 -3.30 116.97 115.90 2ctd h TYR 80 Ca 0.66 -0.54 0.17 0.00 2.58 0.00 0.00 58.73 61.59 2ctd h TYR 80 Cb 3.16 -0.03 -0.08 0.00 1.55 0.00 0.00 36.73 41.33 2ctd h TYR 80 CO 0.00 1.45 0.60 1.12 -1.32 0.00 0.00 178.16 180.01 2ctd h HIS 81 N 0.11 0.91 -0.20 -3.82 2.07 0.32 -0.57 115.15 113.97 2ctd h HIS 81 Ca -0.21 0.03 -0.02 0.00 -2.85 0.00 0.00 60.37 57.32 2ctd h HIS 81 Cb 2.08 -0.28 -0.01 0.00 2.57 0.00 0.00 27.41 31.77 2ctd h HIS 81 CO 0.10 0.28 0.07 0.28 -3.07 0.00 0.00 177.93 175.58 2ctd h VAL 82 N 0.72 1.19 0.00 6.12 2.07 -1.60 0.14 116.25 124.88 2ctd h VAL 82 Ca 0.50 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2ctd h VAL 82 Cb 0.82 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2ctd h VAL 82 CO -0.27 0.18 0.00 0.23 0.02 0.00 0.00 177.57 177.74 2ctd n MET 83 N -4.79 0.02 -0.08 1.57 2.00 -0.50 -0.45 117.12 114.88 2ctd n MET 83 Ca -0.04 0.22 -0.09 0.00 0.00 0.00 0.00 57.70 57.79 2ctd n MET 83 Cb 0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 31.84 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 -1.48 0.69 -0.07 3.04 0.00 -0.34 -4.43 120.51 117.91 2ctd n ALA 84 Ca 0.04 -0.62 -0.11 0.00 0.00 0.00 0.00 53.44 52.75 2ctd n ALA 84 Cb 0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 2ctd n ALA 84 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2ctd h ASN 85 N -1.00 0.00 -0.30 0.00 7.08 -0.80 -3.37 115.58 117.19 2ctd h ASN 85 Ca -0.07 -0.46 -0.46 0.00 -3.08 0.00 0.00 56.30 52.24 2ctd h ASN 85 Cb 0.82 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 37.00 2ctd h ASN 85 CO -0.04 0.97 1.44 1.41 -2.08 0.00 0.00 177.43 179.14 2ctd n HIS 86 N -4.60 1.33 -2.77 4.14 8.25 0.41 -4.90 115.22 117.07 2ctd n HIS 86 Ca -0.13 -2.24 -0.43 0.00 -0.26 0.00 0.00 57.72 54.66 2ctd n HIS 86 Cb 0.39 -1.89 -0.04 0.00 1.12 0.00 0.00 29.99 29.57 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 1.62 6.60 -0.47 0.41 3.84 -1.19 -4.51 114.94 121.24 2ctd s ASN 87 Ca 0.65 0.39 -0.29 0.00 0.21 0.00 0.00 52.86 53.82 2ctd s ASN 87 Cb 0.27 -2.47 0.03 0.00 -0.55 0.00 0.00 41.25 38.52 2ctd s ASN 87 CO -0.06 -1.00 1.17 -0.55 -2.79 0.00 0.00 177.10 173.86 2ctd s SER 88 N 2.13 6.60 -0.06 -4.21 0.15 -1.26 -5.00 113.70 112.05 2ctd s SER 88 Ca 0.39 0.50 0.01 0.00 0.70 0.00 0.00 55.95 57.55 2ctd s SER 88 Cb -0.10 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.68 2ctd s SER 88 CO 0.24 -1.27 -0.06 -0.22 1.20 0.00 0.00 173.24 173.12 2ctd s LEU 89 N 4.56 1.34 -0.02 3.45 2.96 -1.26 -5.05 118.68 124.66 2ctd s LEU 89 Ca 0.49 -0.18 -0.25 0.00 -0.22 0.00 0.00 54.13 53.97 2ctd s LEU 89 Cb -0.08 -0.57 -0.20 0.00 0.50 0.00 0.00 46.19 45.85 2ctd s LEU 89 CO 0.32 -0.05 1.23 1.55 -1.32 0.00 0.00 176.35 178.08 2ctd h PRO 90 N 7.28 -0.05 -3.65 0.98 0.13 -2.07 -3.46 132.00 131.16 2ctd h PRO 90 Ca -0.34 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.63 2ctd h PRO 90 Cb 1.16 0.01 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 2ctd h PRO 90 CO 0.45 0.42 -0.56 -1.12 -0.23 0.00 0.00 178.00 176.96 2ctd s SER 91 N -5.62 0.08 0.00 1.44 0.01 -1.26 -5.12 113.70 103.22 2ctd s SER 91 Ca -0.15 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2ctd s SER 91 Cb 0.02 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.42 2ctd s SER 91 CO 0.65 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.59 2ctd n GLY 92 N 1.65 -0.45 0.00 3.44 0.00 -1.26 -5.00 105.19 103.57 2ctd n GLY 92 Ca -0.22 0.75 0.05 0.00 0.00 0.00 0.00 46.02 46.61 2ctd n GLY 92 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctd n PRO 93 N 0.00 0.49 -1.69 1.61 -0.04 -1.26 -4.82 135.00 129.29 2ctd n PRO 93 Ca 0.00 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 62.95 2ctd n PRO 93 Cb 0.00 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.07 2ctd n PRO 93 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ctd n SER 94 N -0.84 3.07 -4.97 3.54 3.41 -1.26 -4.96 113.62 111.61 2ctd n SER 94 Ca 0.08 1.01 -0.21 0.00 -0.26 0.00 0.00 58.87 59.50 2ctd n SER 94 Cb 0.04 -1.31 -0.01 0.00 -0.26 0.00 0.00 64.21 62.67 2ctd n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ctd s SER 95 N 3.54 6.08 0.00 4.04 1.04 -1.26 -5.27 113.70 121.86 2ctd s SER 95 Ca 0.93 0.03 0.00 0.00 0.48 0.00 0.00 55.95 57.39 2ctd s SER 95 Cb -0.80 -1.53 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2ctd s SER 95 CO 0.54 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 175.01