#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 3.74 -0.62 1.61 0.01 -1.26 -5.08 113.70 112.09 2ctd s SER 2 Ca 0.00 -1.10 -0.27 0.00 1.31 0.00 0.00 55.95 55.90 2ctd s SER 2 Cb 0.00 -1.22 0.04 0.00 0.21 0.00 0.00 66.02 65.05 2ctd s SER 2 CO 0.00 -0.20 1.15 -0.55 0.41 0.00 0.00 173.24 174.05 2ctd s SER 3 N 1.38 6.33 0.00 2.44 0.15 -1.26 -4.85 113.70 117.88 2ctd s SER 3 Ca -0.05 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2ctd s SER 3 Cb -0.18 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2ctd s SER 3 CO -0.07 -1.53 0.00 0.61 1.20 0.00 0.00 173.24 173.46 2ctd n GLY 4 N 5.18 3.27 3.59 9.45 0.00 -1.26 -5.06 105.19 120.35 2ctd n GLY 4 Ca 0.05 -1.89 -0.51 0.00 0.00 0.00 0.00 46.02 43.67 2ctd n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ctd n SER 5 N 0.00 1.58 -4.35 1.61 2.88 -1.26 -4.89 113.62 109.19 2ctd n SER 5 Ca 0.00 1.12 -0.45 0.00 -1.33 0.00 0.00 58.87 58.21 2ctd n SER 5 Cb 0.00 -1.20 -0.00 0.00 -0.75 0.00 0.00 64.21 62.26 2ctd n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ctd s SER 6 N 0.38 7.26 -0.28 -3.46 0.15 -1.26 -4.96 113.70 111.54 2ctd s SER 6 Ca 0.82 -3.48 -0.18 0.00 0.70 0.00 0.00 55.95 53.81 2ctd s SER 6 Cb -0.93 -2.22 0.09 0.00 -1.71 0.00 0.00 66.02 61.24 2ctd s SER 6 CO 0.48 -0.34 0.75 -0.83 1.20 0.00 0.00 173.24 174.49 2ctd s GLY 7 N 1.49 -0.52 0.47 9.45 0.00 -1.26 -5.17 107.32 111.78 2ctd s GLY 7 Ca 0.30 2.44 -0.03 0.00 0.00 0.00 0.00 44.72 47.44 2ctd s GLY 7 CO -0.08 2.27 0.74 0.50 0.00 0.00 0.00 173.10 176.53 2ctd s ARG 8 N 1.28 3.27 -0.23 2.90 3.00 -1.26 -5.08 118.95 122.83 2ctd s ARG 8 Ca -0.07 -0.12 -0.08 0.00 0.00 0.00 0.00 55.73 55.46 2ctd s ARG 8 Cb -0.05 -2.45 -0.04 0.00 0.00 0.00 0.00 34.95 32.41 2ctd s ARG 8 CO -0.14 -0.27 0.09 0.42 0.00 0.00 0.00 175.30 175.40 2ctd s ILE 9 N -2.67 4.67 -0.26 1.52 1.09 -1.26 -4.98 121.20 119.31 2ctd s ILE 9 Ca 0.48 -0.06 -0.15 0.00 -1.10 0.00 0.00 60.65 59.82 2ctd s ILE 9 Cb -0.10 -3.16 -0.14 0.00 -1.06 0.00 0.00 42.46 37.99 2ctd s ILE 9 CO 0.42 0.36 -0.20 0.54 -0.10 0.00 0.00 174.94 175.96 2ctd n ARG 10 N 4.49 0.59 -3.85 2.79 5.12 -1.26 -4.91 116.66 119.63 2ctd n ARG 10 Ca -0.16 0.33 -0.29 0.00 -1.93 0.00 0.00 57.85 55.80 2ctd n ARG 10 Cb 0.52 -1.56 -0.16 0.00 -1.16 0.00 0.00 32.46 30.10 2ctd n ARG 10 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2ctd s LYS 11 N -2.48 1.19 0.05 5.56 -2.85 -1.26 -5.13 119.74 114.82 2ctd s LYS 11 Ca -0.36 -0.74 -0.10 0.00 -1.00 0.00 0.00 55.97 53.77 2ctd s LYS 11 Cb 0.12 -2.38 -0.06 0.00 -2.06 0.00 0.00 37.83 33.46 2ctd s LYS 11 CO 0.53 -0.62 0.38 -1.83 0.10 0.00 0.00 175.35 173.91 2ctd s GLU 12 N 1.60 3.76 0.40 1.78 -1.05 -1.26 -5.07 118.70 118.85 2ctd s GLU 12 Ca -0.04 0.18 -0.26 0.00 -0.15 0.00 0.00 54.97 54.71 2ctd s GLU 12 Cb -0.18 -3.06 -0.09 0.00 -0.44 0.00 0.00 34.13 30.36 2ctd s GLU 12 CO -0.07 0.61 1.19 -1.25 0.95 0.00 0.00 175.26 176.69 2ctd s PRO 13 N -1.69 4.06 1.08 -4.83 0.04 -1.26 -5.03 135.00 127.37 2ctd s PRO 13 Ca 0.30 1.90 -0.15 0.00 0.04 0.00 0.00 61.00 63.08 2ctd s PRO 13 Cb -0.14 -2.71 0.23 0.00 0.04 0.00 0.00 34.50 31.91 2ctd s PRO 13 CO 0.16 -0.33 1.10 -1.25 0.04 0.00 0.00 177.00 176.72 2ctd s PRO 14 N -2.25 -0.22 0.32 0.56 0.04 -1.26 -4.89 135.00 127.29 2ctd s PRO 14 Ca 0.56 0.29 0.10 0.00 0.04 0.00 0.00 61.00 61.99 2ctd s PRO 14 Cb -0.32 -1.68 0.94 0.00 0.04 0.00 0.00 34.50 33.48 2ctd s PRO 14 CO 0.41 -3.12 1.65 -0.24 0.04 0.00 0.00 177.00 175.73 2ctd h VAL 15 N -2.17 0.27 -3.91 -0.36 3.04 -2.05 -3.41 116.25 107.66 2ctd h VAL 15 Ca -0.52 -0.08 -0.55 0.00 -1.01 0.00 0.00 66.70 64.54 2ctd h VAL 15 Cb 1.32 0.00 0.18 0.00 -2.01 0.00 0.00 31.29 30.79 2ctd h VAL 15 CO 0.50 0.05 0.16 -1.22 -1.01 0.00 0.00 177.57 176.05 2ctd n TYR 16 N -5.15 0.82 -0.69 3.17 4.01 -1.26 -4.97 117.16 113.09 2ctd n TYR 16 Ca 0.28 0.39 -0.29 0.00 -0.16 0.00 0.00 57.90 58.12 2ctd n TYR 16 Cb 0.88 -2.08 0.22 0.00 -0.31 0.00 0.00 39.34 38.05 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 -1.94 0.10 -1.20 -0.72 0.00 -1.26 -4.92 121.76 111.82 2ctd s ALA 17 Ca 0.73 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.53 2ctd s ALA 17 Cb -0.32 -3.26 0.20 0.00 0.00 0.00 0.00 23.12 19.74 2ctd s ALA 17 CO 0.51 -3.48 1.47 0.00 0.00 0.00 0.00 175.76 174.25 2ctd n ALA 18 N -4.67 4.31 0.00 0.00 0.00 -1.26 -4.27 120.51 114.61 2ctd n ALA 18 Ca 0.05 -4.37 0.00 0.00 0.00 0.00 0.00 53.44 49.11 2ctd n ALA 18 Cb 0.54 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.11 2ctd n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ctd n GLY 19 N 3.41 0.70 3.20 0.00 0.00 -1.26 -5.16 105.19 106.08 2ctd n GLY 19 Ca 0.34 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2ctd n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctd s SER 20 N -0.66 0.34 0.36 1.61 0.15 -1.26 -5.03 113.70 109.20 2ctd s SER 20 Ca 0.00 -1.32 0.14 0.00 0.70 0.00 0.00 55.95 55.47 2ctd s SER 20 Cb 0.00 0.32 1.02 0.00 -1.71 0.00 0.00 66.02 65.65 2ctd s SER 20 CO 0.00 -0.78 1.73 -0.07 1.20 0.00 0.00 173.24 175.31 2ctd h LEU 21 N 2.68 0.55 0.01 3.45 3.38 -2.00 -1.33 115.31 122.05 2ctd h LEU 21 Ca -0.36 0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2ctd h LEU 21 Cb 1.23 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.97 2ctd h LEU 21 CO 0.56 0.04 -0.52 -0.33 0.09 0.00 0.00 178.44 178.28 2ctd h GLU 22 N 0.45 -0.65 -0.78 1.13 5.08 -1.96 0.70 114.58 118.56 2ctd h GLU 22 Ca 0.65 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 59.19 2ctd h GLU 22 Cb 1.47 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 30.78 2ctd h GLU 22 CO -0.43 -0.43 0.36 1.49 -1.00 0.00 0.00 179.01 179.00 2ctd h GLU 23 N -0.67 0.52 0.78 2.33 4.57 -1.51 -0.63 114.58 119.96 2ctd h GLU 23 Ca 0.02 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2ctd h GLU 23 Cb 0.72 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2ctd h GLU 23 CO -0.35 0.34 -0.46 1.96 -1.18 0.00 0.00 179.01 179.32 2ctd h GLN 24 N 0.53 -1.11 -0.94 1.92 4.20 -1.04 -2.37 115.11 116.30 2ctd h GLN 24 Ca 0.42 0.08 0.18 0.00 0.06 0.00 0.00 58.65 59.39 2ctd h GLN 24 Cb 0.60 0.25 -0.08 0.00 0.30 0.00 0.00 27.48 28.55 2ctd h GLN 24 CO -0.37 -0.74 0.60 -1.49 -0.67 0.00 0.00 178.83 176.16 2ctd h TRP 25 N -1.16 0.83 -0.42 2.96 6.55 -0.45 -0.86 115.95 123.40 2ctd h TRP 25 Ca -0.10 0.03 0.04 0.00 0.95 0.00 0.00 58.89 59.80 2ctd h TRP 25 Cb 0.92 -0.25 -0.04 0.00 -0.86 0.00 0.00 29.16 28.93 2ctd h TRP 25 CO -0.09 0.24 0.20 -0.92 -1.05 0.00 0.00 178.44 176.82 2ctd h TYR 26 N 0.64 0.36 -0.01 0.49 3.20 -0.73 -2.94 116.97 117.99 2ctd h TYR 26 Ca 0.50 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.41 2ctd h TYR 26 Cb 0.91 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 39.02 2ctd h TYR 26 CO -0.00 0.18 -0.49 -0.07 -1.64 0.00 0.00 178.16 176.14 2ctd h LEU 27 N 0.40 -1.50 -1.90 2.82 3.38 -0.65 0.76 115.31 118.62 2ctd h LEU 27 Ca 0.18 0.17 0.56 0.00 0.09 0.00 0.00 57.88 58.89 2ctd h LEU 27 Cb 0.11 0.58 -0.09 0.00 0.09 0.00 0.00 40.66 41.35 2ctd h LEU 27 CO -0.14 -0.50 1.35 1.21 0.09 0.00 0.00 178.44 180.45 2ctd n GLU 28 N -5.46 -0.01 -0.06 1.13 4.07 -1.11 -0.15 120.64 119.05 2ctd n GLU 28 Ca -0.06 1.11 -0.05 0.00 -0.06 0.00 0.00 57.16 58.09 2ctd n GLU 28 Cb 0.39 -2.49 -0.04 0.00 -0.06 0.00 0.00 31.44 29.23 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 0.61 0.00 6.31 2.04 -0.89 -1.10 117.51 124.48 2ctd h ILE 29 Ca 0.93 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2ctd h ILE 29 Cb 3.65 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 40.89 2ctd h ILE 29 CO -0.07 0.21 0.23 -0.37 0.00 0.00 0.00 178.15 178.14 2ctd h VAL 30 N -1.00 0.00 0.00 1.67 -1.51 0.27 1.70 116.25 117.38 2ctd h VAL 30 Ca -0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.34 2ctd h VAL 30 Cb 0.34 0.65 -0.02 0.00 -2.13 0.00 0.00 31.29 30.13 2ctd h VAL 30 CO -0.00 0.00 -1.14 -0.67 -1.23 0.00 0.00 177.57 174.53 2ctd n ASP 31 N -2.72 1.88 -0.12 4.19 -0.08 0.18 -4.78 116.55 115.09 2ctd n ASP 31 Ca -0.02 0.47 -0.26 0.00 -1.51 0.00 0.00 54.79 53.46 2ctd n ASP 31 Cb 0.27 -0.85 -0.11 0.00 2.34 0.00 0.00 41.12 42.77 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 -4.48 0.58 0.00 -0.67 4.76 -0.42 -5.03 118.16 112.90 2ctd n LYS 32 Ca -0.22 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 2ctd n LYS 32 Cb 0.53 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 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 1.35 1.02 3.45 0.72 0.00 0.57 -5.00 105.19 107.31 2ctd n GLY 33 Ca -0.45 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.09 -0.60 0.40 1.61 0.01 -1.26 -4.72 113.70 109.07 2ctd s SER 34 Ca 0.00 1.13 -0.07 0.00 1.31 0.00 0.00 55.95 58.32 2ctd s SER 34 Cb 0.00 1.12 -0.05 0.00 0.21 0.00 0.00 66.02 67.30 2ctd s SER 34 CO 0.00 -0.20 0.72 0.54 0.41 0.00 0.00 173.24 174.71 2ctd s VAL 35 N 0.45 4.89 0.28 3.43 0.11 -0.55 -4.44 120.40 124.57 2ctd s VAL 35 Ca -0.01 0.30 0.06 0.00 -2.93 0.00 0.00 61.98 59.40 2ctd s VAL 35 Cb -0.04 -3.79 -0.03 0.00 -1.53 0.00 0.00 36.38 30.99 2ctd s VAL 35 CO -0.01 -0.60 0.33 -0.55 -3.33 0.00 0.00 175.10 170.93 2ctd s SER 36 N -3.54 5.84 -0.29 3.54 0.15 -1.26 -0.23 113.70 117.91 2ctd s SER 36 Ca 0.48 -0.18 -0.29 0.00 0.70 0.00 0.00 55.95 56.66 2ctd s SER 36 Cb -0.10 -1.43 -0.02 0.00 -1.71 0.00 0.00 66.02 62.75 2ctd s SER 36 CO 0.36 -0.19 1.69 0.00 1.20 0.00 0.00 173.24 176.30 2ctd n PRO 38 N 8.09 0.42 -0.06 0.00 -0.04 -1.26 0.14 135.00 142.28 2ctd n PRO 38 Ca 0.21 0.04 -0.12 0.00 -0.04 0.00 0.00 63.50 63.58 2ctd n PRO 38 Cb 0.46 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 2ctd n PRO 38 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2ctd n THR 39 N -1.07 1.27 -0.04 0.52 -1.04 -1.26 -4.77 114.28 107.89 2ctd n THR 39 Ca 0.11 0.03 0.01 0.00 -2.04 0.00 0.00 64.05 62.16 2ctd n THR 39 Cb 0.07 -1.97 -0.15 0.00 -1.82 0.00 0.00 70.33 66.46 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 -2.58 -4.44 -0.04 0.00 6.02 0.38 -4.83 117.38 111.90 2ctd n GLN 41 Ca -0.16 0.54 -0.05 0.00 -0.01 0.00 0.00 57.00 57.31 2ctd n GLN 41 Cb 0.85 -5.35 -0.04 0.00 1.02 0.00 0.00 30.24 26.72 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 -4.22 1.83 -2.98 -1.58 0.00 -1.26 -4.87 120.51 107.43 2ctd n ALA 42 Ca 0.03 -0.34 -0.18 0.00 0.00 0.00 0.00 53.44 52.95 2ctd n ALA 42 Cb 0.53 0.30 -0.15 0.00 0.00 0.00 0.00 19.45 20.13 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 -2.16 0.52 0.47 0.00 -7.23 -1.26 -4.99 120.40 105.75 2ctd s VAL 43 Ca -0.10 -0.23 0.06 0.00 -1.81 0.00 0.00 61.98 59.90 2ctd s VAL 43 Cb 0.03 -0.47 -0.01 0.00 0.56 0.00 0.00 36.38 36.49 2ctd s VAL 43 CO 0.19 0.17 0.30 -0.83 -0.31 0.00 0.00 175.10 174.62 2ctd s GLY 44 N 0.14 2.33 0.17 2.32 0.00 -1.26 -2.30 107.32 108.73 2ctd s GLY 44 Ca -0.01 -1.66 0.08 0.00 0.00 0.00 0.00 44.72 43.12 2ctd s GLY 44 CO -0.00 -1.88 -0.16 0.50 0.00 0.00 0.00 173.10 171.56 2ctd s ARG 45 N -4.10 1.24 0.14 2.90 1.81 0.68 -4.95 118.95 116.69 2ctd s ARG 45 Ca 0.39 -1.45 -0.17 0.00 -1.72 0.00 0.00 55.73 52.77 2ctd s ARG 45 Cb -0.00 -1.14 0.01 0.00 -0.45 0.00 0.00 34.95 33.37 2ctd s ARG 45 CO 0.22 0.21 1.78 0.87 -0.68 0.00 0.00 175.30 177.71 2ctd h LYS 46 N 2.99 0.36 0.00 3.54 1.57 -1.86 -1.47 116.57 121.71 2ctd h LYS 46 Ca -0.40 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 57.76 2ctd h LYS 46 Cb 1.21 -0.08 -0.13 0.00 0.08 0.00 0.00 32.23 33.31 2ctd h LYS 46 CO 0.56 0.24 -0.48 0.25 -0.57 0.00 0.00 179.45 179.44 2ctd n THR 47 N -4.92 0.00 0.24 -0.16 -2.24 -1.26 -4.35 114.28 101.59 2ctd n THR 47 Ca -0.00 -2.46 -0.15 0.00 -2.27 0.00 0.00 64.05 59.17 2ctd n THR 47 Cb 0.06 0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.59 0.50 -0.82 2.28 1.08 -1.94 -3.06 117.51 117.15 2ctd h ILE 48 Ca -0.36 -0.34 0.16 0.00 -0.39 0.00 0.00 64.86 63.93 2ctd h ILE 48 Cb 1.27 0.65 -0.15 0.00 -3.07 0.00 0.00 36.82 35.52 2ctd h ILE 48 CO 0.57 0.06 -0.23 -0.62 -0.69 0.00 0.00 178.15 177.24 2ctd n GLU 49 N -5.27 -0.10 0.09 2.37 1.02 -1.26 0.33 120.64 117.82 2ctd n GLU 49 Ca -0.11 1.28 -0.12 0.00 -0.02 0.00 0.00 57.16 58.19 2ctd n GLU 49 Cb 0.30 -1.90 -0.06 0.00 -0.02 0.00 0.00 31.44 29.75 2ctd n GLU 49 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2ctd h GLY 50 N 0.00 -0.21 0.55 0.62 0.00 -1.95 -2.49 103.07 99.59 2ctd h GLY 50 Ca 0.37 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.84 2ctd h GLY 50 CO -0.84 -0.12 -0.36 -2.00 0.00 0.00 0.00 176.54 173.22 2ctd h LEU 51 N -0.24 -1.00 -0.76 3.11 5.85 -0.02 0.27 115.31 122.53 2ctd h LEU 51 Ca 0.02 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.94 2ctd h LEU 51 Cb 0.25 0.35 -0.12 0.00 0.37 0.00 0.00 40.66 41.50 2ctd h LEU 51 CO -0.06 -0.49 -0.45 0.11 -0.34 0.00 0.00 178.44 177.22 2ctd h LYS 52 N -0.70 -0.12 -0.29 1.25 1.57 -0.95 0.70 116.57 118.02 2ctd h LYS 52 Ca -0.01 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2ctd h LYS 52 Cb 0.66 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 2ctd h LYS 52 CO -0.11 -0.08 0.11 -0.22 -0.57 0.00 0.00 179.45 178.58 2ctd h LYS 53 N -0.13 0.41 0.29 3.15 3.11 -1.21 -0.06 116.57 122.14 2ctd h LYS 53 Ca 0.22 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 58.00 2ctd h LYS 53 Cb 0.55 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 2ctd h LYS 53 CO -0.81 0.35 -0.14 1.25 -2.81 0.00 0.00 179.45 177.29 2ctd h HIS 54 N 0.41 -0.37 0.00 1.91 2.76 0.24 -3.01 115.15 117.09 2ctd h HIS 54 Ca 0.10 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.23 2ctd h HIS 54 Cb 0.10 0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 2ctd h HIS 54 CO 0.00 -0.05 -0.16 0.00 -1.30 0.00 0.00 177.93 176.42 2ctd h MET 55 N -0.70 0.00 -0.89 5.26 -0.00 -0.17 0.29 114.93 118.72 2ctd h MET 55 Ca -0.04 0.00 0.17 0.00 -0.00 0.00 0.00 59.70 59.83 2ctd h MET 55 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 32.01 2ctd h MET 55 CO 0.07 0.16 0.58 0.93 -0.00 0.00 0.00 176.91 178.64 2ctd h GLU 56 N 0.00 0.53 0.00 -0.10 5.08 -0.86 -2.94 114.58 116.28 2ctd h GLU 56 Ca -0.00 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 2ctd h GLU 56 Cb 0.40 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2ctd h GLU 56 CO 0.02 0.35 -1.63 0.27 -1.00 0.00 0.00 179.01 177.02 2ctd n ASN 57 N -4.55 2.41 0.00 1.42 0.23 -1.02 -4.79 115.26 108.96 2ctd n ASN 57 Ca 0.18 0.01 0.00 0.00 -0.53 0.00 0.00 54.58 54.24 2ctd n ASN 57 Cb 0.58 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 2ctd n ASN 57 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ctd s LYS 59 N -2.52 0.53 0.00 0.00 2.47 -1.11 -5.04 119.74 114.07 2ctd s LYS 59 Ca 0.00 0.27 0.00 0.00 -1.56 0.00 0.00 55.97 54.68 2ctd s LYS 59 Cb 0.00 0.25 0.00 0.00 -1.46 0.00 0.00 37.83 36.62 2ctd s LYS 59 CO 0.00 -0.14 0.37 0.94 0.16 0.00 0.00 175.35 176.68 2ctd n GLN 60 N 1.19 -0.00 -3.69 4.03 7.27 -1.26 -4.69 117.38 120.23 2ctd n GLN 60 Ca -0.11 -0.43 -0.14 0.00 0.07 0.00 0.00 57.00 56.39 2ctd n GLN 60 Cb 0.57 -0.75 -0.14 0.00 2.41 0.00 0.00 30.24 32.34 2ctd n GLN 60 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2ctd s GLU 61 N -0.12 0.14 0.24 3.69 2.56 -1.26 -5.13 118.70 118.82 2ctd s GLU 61 Ca 0.00 0.61 -0.06 0.00 0.00 0.00 0.00 54.97 55.52 2ctd s GLU 61 Cb 0.00 -0.12 -0.02 0.00 2.00 0.00 0.00 34.13 35.99 2ctd s GLU 61 CO 0.00 -0.24 0.34 -1.64 -0.56 0.00 0.00 175.26 173.16 2ctd s MET 62 N 1.91 1.47 0.04 4.30 -1.94 -1.26 -5.11 119.30 118.71 2ctd s MET 62 Ca -0.03 -1.49 0.04 0.00 -1.71 0.00 0.00 55.69 52.50 2ctd s MET 62 Cb -0.11 0.38 -0.02 0.00 2.01 0.00 0.00 34.83 37.09 2ctd s MET 62 CO -0.08 -0.57 -0.12 -0.06 -0.01 0.00 0.00 175.02 174.19 2ctd s PHE 63 N -3.92 1.04 -0.14 -0.03 0.08 -1.26 -5.14 117.98 108.61 2ctd s PHE 63 Ca 0.31 -0.37 -0.04 0.00 0.12 0.00 0.00 56.93 56.95 2ctd s PHE 63 Cb 0.02 -0.61 0.07 0.00 -0.57 0.00 0.00 43.02 41.93 2ctd s PHE 63 CO 0.12 0.01 0.18 0.99 -0.10 0.00 0.00 175.22 176.43 2ctd s THR 64 N -0.92 -0.28 0.99 0.64 2.01 -1.26 -4.11 115.64 112.70 2ctd s THR 64 Ca -0.01 0.15 -0.16 0.00 0.31 0.00 0.00 61.69 61.98 2ctd s THR 64 Cb -0.08 -0.46 -0.06 0.00 0.01 0.00 0.00 72.50 71.91 2ctd s THR 64 CO 0.01 -0.01 -0.31 0.00 -0.69 0.00 0.00 174.62 173.62 2ctd n HIS 66 N -3.11 0.00 0.01 0.00 -0.00 -1.26 -3.47 115.22 107.39 2ctd n HIS 66 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.72 2ctd n HIS 66 Cb 0.56 -0.93 -0.01 0.00 -0.00 0.00 0.00 29.99 29.62 2ctd n HIS 66 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2ctd h HIS 67 N -0.01 -0.12 0.01 1.57 3.86 -2.01 -3.38 115.15 115.08 2ctd h HIS 67 Ca -0.54 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.29 2ctd h HIS 67 Cb 1.83 0.05 -0.06 0.00 1.06 0.00 0.00 27.41 30.30 2ctd h HIS 67 CO 0.03 -0.05 -2.15 0.00 0.86 0.00 0.00 177.93 176.61 2ctd n GLY 69 N 1.54 1.11 3.83 0.00 0.00 -1.23 -5.04 105.19 105.40 2ctd n GLY 69 Ca -0.45 0.00 -0.33 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 -0.06 3.92 -0.23 1.61 2.20 -1.26 -4.69 119.74 121.22 2ctd s LYS 70 Ca 0.00 1.08 0.01 0.00 -0.36 0.00 0.00 55.97 56.70 2ctd s LYS 70 Cb 0.00 -2.13 0.05 0.00 -1.51 0.00 0.00 37.83 34.25 2ctd s LYS 70 CO 0.00 -0.30 -0.09 -0.65 -0.36 0.00 0.00 175.35 173.95 2ctd s GLN 71 N -3.75 1.95 0.47 4.03 -0.21 -1.26 -2.05 119.66 118.84 2ctd s GLN 71 Ca 0.61 -1.04 0.04 0.00 0.02 0.00 0.00 55.36 54.99 2ctd s GLN 71 Cb -0.11 -2.62 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 2ctd s GLN 71 CO 0.26 -0.53 0.05 -0.51 -2.12 0.00 0.00 175.29 172.44 2ctd s LEU 72 N 1.31 2.58 -0.13 2.90 1.43 -1.26 -5.10 118.68 120.42 2ctd s LEU 72 Ca -0.05 -1.49 -0.08 0.00 -1.03 0.00 0.00 54.13 51.48 2ctd s LEU 72 Cb -0.18 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 2ctd s LEU 72 CO -0.07 -0.72 -0.16 -1.14 0.23 0.00 0.00 176.35 174.50 2ctd n ARG 73 N -1.21 0.40 -2.74 1.70 3.00 -1.26 -4.62 116.66 111.94 2ctd n ARG 73 Ca -0.12 0.50 -0.43 0.00 -0.00 0.00 0.00 57.85 57.80 2ctd n ARG 73 Cb 0.67 -1.59 -0.03 0.00 0.00 0.00 0.00 32.46 31.50 2ctd n ARG 73 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2ctd s SER 74 N -5.49 6.53 0.33 6.15 0.01 -1.26 -4.91 113.70 115.06 2ctd s SER 74 Ca -0.13 0.20 0.10 0.00 1.31 0.00 0.00 55.95 57.43 2ctd s SER 74 Cb 0.02 -2.49 0.99 0.00 0.21 0.00 0.00 66.02 64.76 2ctd s SER 74 CO 0.20 -1.14 1.59 0.25 0.41 0.00 0.00 173.24 174.54 2ctd h LEU 75 N 10.86 -0.09 0.01 2.44 5.85 -1.99 -1.13 115.31 131.26 2ctd h LEU 75 Ca -0.24 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2ctd h LEU 75 Cb 1.07 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 2ctd h LEU 75 CO 1.07 -0.36 -0.10 0.00 -0.34 0.00 0.00 178.44 178.71 2ctd h ALA 76 N 1.97 -0.62 -1.01 1.25 0.00 -1.99 0.12 119.26 118.98 2ctd h ALA 76 Ca 0.70 -0.02 0.40 0.00 0.00 0.00 0.00 54.91 55.99 2ctd h ALA 76 Cb 1.63 0.55 -0.17 0.00 0.00 0.00 0.00 17.79 19.80 2ctd h ALA 76 CO -0.83 -0.64 0.56 0.78 0.00 0.00 0.00 179.25 179.12 2ctd h GLY 77 N -0.13 2.20 0.38 0.00 0.00 -1.63 -1.02 103.07 102.88 2ctd h GLY 77 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 2ctd h GLY 77 CO -0.06 -0.72 -0.18 1.98 0.00 0.00 0.00 176.54 177.55 2ctd h MET 78 N 0.08 -0.50 -0.75 4.80 -1.53 -1.09 -2.50 114.93 113.44 2ctd h MET 78 Ca 0.82 0.03 0.22 0.00 -3.44 0.00 0.00 59.70 57.34 2ctd h MET 78 Cb 2.13 0.11 -0.03 0.00 -0.55 0.00 0.00 31.60 33.26 2ctd h MET 78 CO -0.72 -0.33 1.12 0.87 0.14 0.00 0.00 176.91 177.99 2ctd h LYS 79 N -0.79 0.00 0.16 0.39 1.57 0.50 1.91 116.57 120.31 2ctd h LYS 79 Ca -0.05 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.40 2ctd h LYS 79 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2ctd h LYS 79 CO 0.09 0.00 -1.65 -0.92 -0.57 0.00 0.00 179.45 176.40 2ctd h TYR 80 N 0.00 0.61 -0.37 -1.35 3.20 -1.26 -3.32 116.97 114.49 2ctd h TYR 80 Ca 0.36 -0.45 0.11 0.00 3.14 0.00 0.00 58.73 61.89 2ctd h TYR 80 Cb 2.59 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 40.82 2ctd h TYR 80 CO 0.00 1.54 0.27 1.12 -1.64 0.00 0.00 178.16 179.45 2ctd h HIS 81 N 0.09 0.00 0.29 -3.82 2.07 0.35 0.59 115.15 114.72 2ctd h HIS 81 Ca -0.30 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.21 2ctd h HIS 81 Cb 2.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.05 2ctd h HIS 81 CO 0.09 0.00 -0.14 0.28 -3.07 0.00 0.00 177.93 175.09 2ctd h VAL 82 N 0.00 0.00 -0.15 6.12 2.07 -1.60 0.03 116.25 122.73 2ctd h VAL 82 Ca 0.17 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.49 2ctd h VAL 82 Cb 0.72 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2ctd h VAL 82 CO -0.00 0.00 0.15 0.24 0.02 0.00 0.00 177.57 177.97 2ctd h MET 83 N -0.64 0.00 0.00 1.57 2.07 -1.62 0.50 114.93 116.81 2ctd h MET 83 Ca -0.04 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 2ctd h MET 83 Cb 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.03 2ctd h MET 83 CO 0.07 0.00 0.00 0.00 1.07 0.00 0.00 176.91 178.05 2ctd n ALA 84 N -2.40 -0.07 0.41 6.32 0.00 0.18 -2.49 120.51 122.47 2ctd n ALA 84 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.29 2ctd n ALA 84 Cb 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 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 0.00 -0.89 0.27 0.00 2.35 -0.96 -3.36 115.58 112.99 2ctd h ASN 85 Ca 0.00 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2ctd h ASN 85 Cb 0.00 0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2ctd h ASN 85 CO 0.00 -0.60 -0.13 0.45 -1.65 0.00 0.00 177.43 175.50 2ctd h HIS 86 N -1.14 -0.34 -4.60 1.19 3.86 -0.61 -3.48 115.15 110.03 2ctd h HIS 86 Ca -0.11 -0.01 -0.27 0.00 -1.16 0.00 0.00 60.37 58.82 2ctd h HIS 86 Cb 0.81 0.11 0.11 0.00 1.06 0.00 0.00 27.41 29.50 2ctd h HIS 86 CO 0.03 -0.21 -0.52 -1.71 0.86 0.00 0.00 177.93 176.37 2ctd n ASN 87 N -3.50 -4.00 -3.68 2.45 5.15 0.14 -4.96 115.26 106.86 2ctd n ASN 87 Ca -0.05 -0.42 -0.26 0.00 -0.60 0.00 0.00 54.58 53.26 2ctd n ASN 87 Cb 0.15 -3.86 -0.17 0.00 -0.53 0.00 0.00 39.78 35.37 2ctd n ASN 87 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2ctd s SER 88 N -3.53 2.33 0.24 1.20 0.15 -1.26 -5.02 113.70 107.81 2ctd s SER 88 Ca 0.27 -0.55 -0.29 0.00 0.70 0.00 0.00 55.95 56.08 2ctd s SER 88 Cb -0.12 -0.38 -0.15 0.00 -1.71 0.00 0.00 66.02 63.66 2ctd s SER 88 CO 0.54 -0.30 0.88 0.00 1.20 0.00 0.00 173.24 175.55 2ctd n LEU 89 N 5.18 0.74 -4.77 3.45 -0.00 -1.26 -4.92 117.00 115.42 2ctd n LEU 89 Ca -0.07 1.16 -0.32 0.00 -0.00 0.00 0.00 56.01 56.77 2ctd n LEU 89 Cb 0.49 -1.16 0.07 0.00 -0.00 0.00 0.00 43.42 42.81 2ctd n LEU 89 CO 0.11 -1.90 0.72 -2.16 -0.00 0.00 0.00 177.39 174.16 2ctd s PRO 90 N -1.16 2.56 -0.72 1.47 0.04 -1.26 -4.98 135.00 130.95 2ctd s PRO 90 Ca 0.63 1.29 -0.20 0.00 0.04 0.00 0.00 61.00 62.76 2ctd s PRO 90 Cb -0.81 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 31.91 2ctd s PRO 90 CO 0.57 -1.43 0.92 0.45 0.04 0.00 0.00 177.00 177.55 2ctd s SER 91 N -2.95 6.32 0.09 6.66 0.15 -1.26 -5.01 113.70 117.69 2ctd s SER 91 Ca 0.64 -1.49 -0.37 0.00 0.70 0.00 0.00 55.95 55.44 2ctd s SER 91 Cb -0.19 -2.37 -0.16 0.00 -1.71 0.00 0.00 66.02 61.59 2ctd s SER 91 CO 0.48 -1.20 1.37 0.61 1.20 0.00 0.00 173.24 175.70 2ctd n GLY 92 N 5.29 0.53 1.19 9.45 0.00 -1.26 -4.96 105.19 115.44 2ctd n GLY 92 Ca 0.02 0.70 -0.10 0.00 0.00 0.00 0.00 46.02 46.65 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 2.65 -1.75 -4.38 1.61 -0.04 -1.26 -5.04 135.00 126.79 2ctd n PRO 93 Ca 0.18 -0.59 -0.34 0.00 -0.04 0.00 0.00 63.50 62.71 2ctd n PRO 93 Cb 0.20 -0.56 -0.12 0.00 -0.04 0.00 0.00 33.50 32.99 2ctd n PRO 93 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ctd s SER 94 N -2.51 4.91 0.61 3.54 0.15 -1.26 -5.11 113.70 114.03 2ctd s SER 94 Ca 0.24 -0.07 -0.08 0.00 0.70 0.00 0.00 55.95 56.75 2ctd s SER 94 Cb -0.02 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 2ctd s SER 94 CO 0.18 0.21 0.95 -0.44 1.20 0.00 0.00 173.24 175.34 2ctd s SER 95 N 0.13 5.63 0.00 5.45 0.01 -1.26 -5.35 113.70 118.31 2ctd s SER 95 Ca -0.00 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.13 2ctd s SER 95 Cb -0.13 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.26 2ctd s SER 95 CO 0.03 -1.09 0.10 0.61 0.41 0.00 0.00 173.24 173.29