#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 -0.11 -0.06 1.61 0.15 -1.26 -5.19 113.70 108.84 2ctd s SER 2 Ca 0.00 -0.08 -0.31 0.00 0.70 0.00 0.00 55.95 56.27 2ctd s SER 2 Cb 0.00 0.17 0.11 0.00 -1.71 0.00 0.00 66.02 64.59 2ctd s SER 2 CO 0.00 -0.30 1.03 -0.44 1.20 0.00 0.00 173.24 174.73 2ctd s SER 3 N -2.57 -0.25 0.00 5.45 0.01 -1.26 -5.19 113.70 109.89 2ctd s SER 3 Ca 0.11 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.34 2ctd s SER 3 Cb 0.02 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2ctd s SER 3 CO -0.04 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.73 2ctd n GLY 4 N -0.22 0.56 3.65 3.44 0.00 -1.26 -5.19 105.19 106.18 2ctd n GLY 4 Ca -0.05 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.37 0.14 1.61 0.01 -1.26 -5.19 113.70 108.63 2ctd s SER 5 Ca 0.00 -0.30 -0.25 0.00 1.31 0.00 0.00 55.95 56.71 2ctd s SER 5 Cb 0.00 0.61 0.07 0.00 0.21 0.00 0.00 66.02 66.92 2ctd s SER 5 CO 0.00 -1.07 1.01 -0.55 0.41 0.00 0.00 173.24 173.04 2ctd s SER 6 N -2.81 -0.14 0.00 2.44 0.15 -1.26 -5.16 113.70 106.92 2ctd s SER 6 Ca 0.07 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2ctd s SER 6 Cb -0.03 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 2ctd s SER 6 CO -0.03 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2ctd n GLY 7 N -0.50 -0.06 3.19 9.45 0.00 -1.26 -5.19 105.19 110.82 2ctd n GLY 7 Ca -0.06 0.72 -0.09 0.00 0.00 0.00 0.00 46.02 46.59 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 0.90 0.63 1.61 1.81 -1.26 -5.16 118.95 117.48 2ctd s ARG 8 Ca 0.00 -1.25 -0.13 0.00 -1.72 0.00 0.00 55.73 52.64 2ctd s ARG 8 Cb 0.00 0.28 -0.03 0.00 -0.45 0.00 0.00 34.95 34.76 2ctd s ARG 8 CO 0.00 -0.27 1.04 0.96 -0.68 0.00 0.00 175.30 176.35 2ctd s ILE 9 N -3.97 4.25 -0.41 1.52 -5.25 -1.26 -5.05 121.20 111.03 2ctd s ILE 9 Ca 0.15 0.84 0.01 0.00 -0.99 0.00 0.00 60.65 60.66 2ctd s ILE 9 Cb 0.06 -3.57 0.13 0.00 2.95 0.00 0.00 42.46 42.03 2ctd s ILE 9 CO -0.03 -0.85 0.20 -0.60 -1.79 0.00 0.00 174.94 171.87 2ctd s ARG 10 N -4.76 1.15 -0.72 0.37 6.06 -1.26 -5.02 118.95 114.76 2ctd s ARG 10 Ca 0.58 -1.79 0.04 0.00 -2.50 0.00 0.00 55.73 52.07 2ctd s ARG 10 Cb -0.13 -2.25 0.24 0.00 0.06 0.00 0.00 34.95 32.87 2ctd s ARG 10 CO 0.48 -1.12 0.78 1.63 -2.50 0.00 0.00 175.30 174.57 2ctd n LYS 11 N 3.84 2.62 -4.12 5.12 5.02 -1.26 -5.05 118.16 124.34 2ctd n LYS 11 Ca 0.07 -4.62 -0.14 0.00 -2.02 0.00 0.00 58.31 51.60 2ctd n LYS 11 Cb 0.36 -2.30 -0.11 0.00 -0.02 0.00 0.00 35.03 32.96 2ctd n LYS 11 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2ctd s GLU 12 N -2.25 0.68 0.74 1.97 0.41 -1.26 -5.15 118.70 113.84 2ctd s GLU 12 Ca 0.35 -0.95 -0.12 0.00 -0.41 0.00 0.00 54.97 53.84 2ctd s GLU 12 Cb 0.09 -0.41 0.04 0.00 -1.78 0.00 0.00 34.13 32.07 2ctd s GLU 12 CO -0.04 0.07 1.10 -1.25 -0.49 0.00 0.00 175.26 174.65 2ctd s PRO 13 N -2.17 2.43 0.99 0.39 0.04 -1.26 -5.04 135.00 130.38 2ctd s PRO 13 Ca -0.03 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 2ctd s PRO 13 Cb -0.06 -1.91 0.18 0.00 0.04 0.00 0.00 34.50 32.75 2ctd s PRO 13 CO -0.00 -1.52 1.09 -1.25 0.04 0.00 0.00 177.00 175.36 2ctd s PRO 14 N -4.64 0.48 0.63 0.56 0.04 -1.26 -4.84 135.00 125.97 2ctd s PRO 14 Ca 0.63 0.54 0.20 0.00 0.04 0.00 0.00 61.00 62.41 2ctd s PRO 14 Cb -0.18 -1.74 0.90 0.00 0.04 0.00 0.00 34.50 33.52 2ctd s PRO 14 CO 0.51 -2.70 1.45 -0.24 0.04 0.00 0.00 177.00 176.06 2ctd h VAL 15 N -1.87 0.07 -4.18 -0.36 3.04 -2.05 -3.40 116.25 107.50 2ctd h VAL 15 Ca -0.54 0.00 -0.52 0.00 -1.01 0.00 0.00 66.70 64.63 2ctd h VAL 15 Cb 1.33 0.25 0.12 0.00 -2.01 0.00 0.00 31.29 30.97 2ctd h VAL 15 CO 0.57 0.00 0.39 -0.31 -1.01 0.00 0.00 177.57 177.21 2ctd s TYR 16 N -4.28 2.45 0.43 3.17 2.02 -1.26 -5.05 117.35 114.83 2ctd s TYR 16 Ca -0.02 1.56 0.07 0.00 -0.37 0.00 0.00 57.07 58.31 2ctd s TYR 16 Cb 0.09 -3.28 0.01 0.00 -0.40 0.00 0.00 41.96 38.38 2ctd s TYR 16 CO 0.32 -1.97 0.59 0.00 -1.57 0.00 0.00 175.55 172.92 2ctd s ALA 17 N -2.15 4.37 -0.06 3.71 0.00 -1.26 -4.98 121.76 121.40 2ctd s ALA 17 Ca 0.70 -1.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.08 2ctd s ALA 17 Cb -0.24 -1.72 0.03 0.00 0.00 0.00 0.00 23.12 21.19 2ctd s ALA 17 CO 0.41 -0.32 2.05 0.00 0.00 0.00 0.00 175.76 177.90 2ctd n ALA 18 N -1.91 4.27 0.00 0.00 0.00 -1.26 -3.85 120.51 117.76 2ctd n ALA 18 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2ctd n ALA 18 Cb 0.59 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 1.33 0.00 3.58 0.00 0.00 -1.26 -5.18 105.19 103.67 2ctd n GLY 19 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 3.42 0.08 1.61 0.01 -1.25 -5.06 113.70 112.50 2ctd s SER 20 Ca 0.00 -1.42 -0.20 0.00 1.31 0.00 0.00 55.95 55.64 2ctd s SER 20 Cb 0.00 -0.16 -0.10 0.00 0.21 0.00 0.00 66.02 65.97 2ctd s SER 20 CO 0.00 -0.56 1.53 -0.07 0.41 0.00 0.00 173.24 174.55 2ctd h LEU 21 N 1.82 0.33 -0.88 2.44 3.38 -2.01 -3.11 115.31 117.28 2ctd h LEU 21 Ca -0.43 -0.28 0.19 0.00 0.09 0.00 0.00 57.88 57.46 2ctd h LEU 21 Cb 1.25 -0.09 -0.17 0.00 0.09 0.00 0.00 40.66 41.75 2ctd h LEU 21 CO 0.76 0.52 -0.17 -0.62 0.09 0.00 0.00 178.44 179.03 2ctd n GLU 22 N -4.72 -0.08 -0.10 1.13 1.02 -1.26 0.11 120.64 116.73 2ctd n GLU 22 Ca -0.04 1.37 -0.06 0.00 -0.02 0.00 0.00 57.16 58.40 2ctd n GLU 22 Cb 0.20 -2.07 0.01 0.00 -0.02 0.00 0.00 31.44 29.57 2ctd n GLU 22 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2ctd h GLU 23 N 0.00 0.26 0.39 3.49 4.57 -1.85 -0.48 114.58 120.95 2ctd h GLU 23 Ca 0.45 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.61 2ctd h GLU 23 Cb 0.75 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 2ctd h GLU 23 CO -0.89 0.17 -0.49 1.96 -1.18 0.00 0.00 179.01 178.58 2ctd h GLN 24 N 0.27 -0.88 -1.00 1.92 4.20 0.71 -1.65 115.11 118.68 2ctd h GLN 24 Ca 0.16 0.06 0.13 0.00 0.06 0.00 0.00 58.65 59.06 2ctd h GLN 24 Cb 0.14 0.20 -0.09 0.00 0.30 0.00 0.00 27.48 28.03 2ctd h GLN 24 CO -0.17 -0.59 0.63 -1.49 -0.67 0.00 0.00 178.83 176.54 2ctd h TRP 25 N -0.91 1.11 -0.27 2.96 6.55 -1.18 -1.72 115.95 122.49 2ctd h TRP 25 Ca -0.04 0.03 0.05 0.00 0.95 0.00 0.00 58.89 59.88 2ctd h TRP 25 Cb 0.82 -0.35 -0.04 0.00 -0.86 0.00 0.00 29.16 28.73 2ctd h TRP 25 CO -0.30 0.41 -0.00 -0.92 -1.05 0.00 0.00 178.44 176.58 2ctd h TYR 26 N 0.94 -0.02 0.12 0.49 3.20 -0.44 -2.84 116.97 118.42 2ctd h TYR 26 Ca 0.51 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.42 2ctd h TYR 26 Cb 0.57 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 2ctd h TYR 26 CO -0.00 -0.04 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.02 2ctd h LEU 27 N 0.08 -1.13 -1.12 2.82 3.38 -0.40 0.48 115.31 119.42 2ctd h LEU 27 Ca 0.13 0.13 0.23 0.00 0.09 0.00 0.00 57.88 58.45 2ctd h LEU 27 Cb 0.17 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2ctd h LEU 27 CO -0.22 -0.46 1.04 -0.08 0.09 0.00 0.00 178.44 178.81 2ctd h GLU 28 N -0.62 0.00 0.00 1.13 4.57 -1.29 0.41 114.58 118.79 2ctd h GLU 28 Ca 0.03 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 2ctd h GLU 28 Cb 0.65 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2ctd h GLU 28 CO -0.23 0.00 -0.68 0.82 -1.18 0.00 0.00 179.01 177.74 2ctd h ILE 29 N 0.00 0.32 0.00 2.32 2.04 -0.88 -1.95 117.51 119.36 2ctd h ILE 29 Ca 0.37 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.84 2ctd h ILE 29 Cb 2.45 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 2ctd h ILE 29 CO -0.00 0.11 0.00 1.33 0.00 0.00 0.00 178.15 179.59 2ctd n VAL 30 N -4.57 1.08 -0.13 1.67 0.24 0.12 0.21 118.33 116.95 2ctd n VAL 30 Ca -0.14 0.72 -0.21 0.00 -2.04 0.00 0.00 64.34 62.67 2ctd n VAL 30 Cb 0.37 -1.72 -0.11 0.00 -1.47 0.00 0.00 33.84 30.92 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 -2.22 2.00 -0.10 -1.34 -0.08 0.12 -4.82 116.55 110.11 2ctd n ASP 31 Ca -0.01 0.05 -0.20 0.00 -1.51 0.00 0.00 54.79 53.11 2ctd n ASP 31 Cb 0.03 -0.54 -0.07 0.00 2.34 0.00 0.00 41.12 42.89 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 -3.59 0.44 0.00 -0.67 4.76 -0.74 -5.05 118.16 113.30 2ctd n LYS 32 Ca -0.47 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 2ctd n LYS 32 Cb 0.92 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.88 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 1.73 0.97 3.40 0.72 0.00 0.55 -4.98 105.19 107.58 2ctd n GLY 33 Ca -0.37 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.57 -0.15 0.02 1.61 1.04 -1.25 -4.75 113.70 109.66 2ctd s SER 34 Ca 0.00 -0.55 0.06 0.00 0.48 0.00 0.00 55.95 55.95 2ctd s SER 34 Cb 0.00 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 2ctd s SER 34 CO 0.00 -0.93 -0.18 0.54 0.98 0.00 0.00 173.24 173.64 2ctd s VAL 35 N -3.88 1.45 0.54 5.02 0.11 -0.67 -3.81 120.40 119.17 2ctd s VAL 35 Ca 0.09 -1.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 2ctd s VAL 35 Cb 0.01 -1.26 0.03 0.00 -1.53 0.00 0.00 36.38 33.63 2ctd s VAL 35 CO -0.05 0.22 0.77 -0.55 -3.33 0.00 0.00 175.10 172.16 2ctd s SER 36 N -0.92 5.36 -0.16 3.54 0.15 -1.26 -0.22 113.70 120.18 2ctd s SER 36 Ca 0.06 0.08 -0.23 0.00 0.70 0.00 0.00 55.95 56.56 2ctd s SER 36 Cb -0.08 -1.02 -0.02 0.00 -1.71 0.00 0.00 66.02 63.19 2ctd s SER 36 CO 0.01 -1.09 0.73 0.00 1.20 0.00 0.00 173.24 174.09 2ctd n PRO 38 N 4.93 0.06 -0.04 0.00 -0.04 -1.26 0.51 135.00 139.17 2ctd n PRO 38 Ca 0.01 0.31 -0.02 0.00 -0.04 0.00 0.00 63.50 63.76 2ctd n PRO 38 Cb 0.50 -1.62 -0.01 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.13 0.52 2.02 -1.96 -3.43 112.91 110.19 2ctd h THR 39 Ca 0.00 -0.52 -0.35 0.00 0.77 0.00 0.00 66.41 66.31 2ctd h THR 39 Cb 0.28 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2ctd h THR 39 CO 0.00 0.00 -1.84 0.00 0.37 0.00 0.00 175.52 174.05 2ctd n GLN 41 N -3.46 -6.67 0.00 0.00 6.02 0.18 -4.89 117.38 108.56 2ctd n GLN 41 Ca -0.26 0.69 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2ctd n GLN 41 Cb 1.06 -5.33 0.00 0.00 1.02 0.00 0.00 30.24 26.99 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 -4.59 1.93 -3.11 -1.58 0.00 -1.26 -4.90 120.51 107.00 2ctd n ALA 42 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2ctd n ALA 42 Cb 0.55 0.32 -0.16 0.00 0.00 0.00 0.00 19.45 20.16 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 -1.72 1.09 0.00 0.00 -7.23 -1.26 -5.00 120.40 106.27 2ctd s VAL 43 Ca 0.00 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 2ctd s VAL 43 Cb 0.00 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 35.98 2ctd s VAL 43 CO 0.00 0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 2ctd n GLY 44 N 3.39 3.76 3.19 2.32 0.00 -1.26 -2.91 105.19 113.68 2ctd n GLY 44 Ca -0.20 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.54 2ctd n GLY 44 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ctd s ARG 45 N -1.56 1.07 0.51 1.61 6.06 0.70 -4.95 118.95 122.38 2ctd s ARG 45 Ca 0.00 -1.53 0.22 0.00 -2.50 0.00 0.00 55.73 51.92 2ctd s ARG 45 Cb 0.00 0.10 1.36 0.00 0.06 0.00 0.00 34.95 36.47 2ctd s ARG 45 CO 0.00 -0.27 2.09 0.87 -2.50 0.00 0.00 175.30 175.49 2ctd h LYS 46 N 2.73 0.00 0.00 5.12 6.56 -1.87 -1.78 116.57 127.33 2ctd h LYS 46 Ca -0.36 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.15 2ctd h LYS 46 Cb 1.22 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.86 2ctd h LYS 46 CO 0.59 0.11 0.08 0.25 -2.06 0.00 0.00 179.45 178.41 2ctd n THR 47 N -4.00 0.00 0.13 -0.16 -2.24 -1.26 -4.50 114.28 102.25 2ctd n THR 47 Ca -0.02 -0.86 -0.11 0.00 -2.27 0.00 0.00 64.05 60.79 2ctd n THR 47 Cb 0.20 0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 69.05 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 1.67 0.53 -0.69 2.28 2.04 -1.92 -3.01 117.51 118.40 2ctd h ILE 48 Ca -0.21 -0.81 0.11 0.00 1.00 0.00 0.00 64.86 64.95 2ctd h ILE 48 Cb 0.81 0.85 -0.11 0.00 -0.74 0.00 0.00 36.82 37.63 2ctd h ILE 48 CO 0.27 0.12 -0.26 -0.62 0.00 0.00 0.00 178.15 177.66 2ctd n GLU 49 N -5.06 -0.15 -0.13 2.37 1.02 -1.26 0.13 120.64 117.56 2ctd n GLU 49 Ca -0.08 1.07 -0.09 0.00 -0.02 0.00 0.00 57.16 58.04 2ctd n GLU 49 Cb 0.26 -1.58 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 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 0.63 0.91 0.62 0.00 -1.99 -3.14 103.07 100.09 2ctd h GLY 50 Ca 0.25 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2ctd h GLY 50 CO -0.69 0.31 -0.15 -2.00 0.00 0.00 0.00 176.54 174.01 2ctd h LEU 51 N 0.50 -0.39 -0.85 3.11 5.85 0.12 -2.91 115.31 120.74 2ctd h LEU 51 Ca 0.13 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.02 2ctd h LEU 51 Cb 0.15 0.12 -0.14 0.00 0.37 0.00 0.00 40.66 41.16 2ctd h LEU 51 CO -0.01 -0.25 -0.32 0.29 -0.34 0.00 0.00 178.44 177.81 2ctd n LYS 52 N -5.28 -0.19 -0.15 1.25 5.02 0.78 0.24 118.16 119.83 2ctd n LYS 52 Ca -0.09 1.32 0.06 0.00 -2.02 0.00 0.00 58.31 57.58 2ctd n LYS 52 Cb 0.19 -1.95 0.37 0.00 -0.02 0.00 0.00 35.03 33.61 2ctd n LYS 52 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2ctd h LYS 53 N 0.00 0.70 0.27 1.97 1.63 -1.52 0.31 116.57 119.93 2ctd h LYS 53 Ca 0.31 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 2ctd h LYS 53 Cb 0.52 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2ctd h LYS 53 CO -0.85 0.46 -0.13 1.25 -3.45 0.00 0.00 179.45 176.73 2ctd h HIS 54 N 0.72 -0.33 0.00 1.91 2.76 0.32 -3.05 115.15 117.48 2ctd h HIS 54 Ca 0.28 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 2ctd h HIS 54 Cb 0.20 0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 2ctd h HIS 54 CO -0.00 0.01 -0.12 0.00 -1.30 0.00 0.00 177.93 176.52 2ctd h MET 55 N -0.73 0.00 -0.23 5.26 -0.00 -0.60 0.15 114.93 118.78 2ctd h MET 55 Ca -0.04 0.00 0.07 0.00 -0.00 0.00 0.00 59.70 59.73 2ctd h MET 55 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.08 2ctd h MET 55 CO 0.06 0.12 0.36 0.93 -0.00 0.00 0.00 176.91 178.38 2ctd h GLU 56 N 0.00 0.00 0.00 -0.10 5.08 -0.27 -0.60 114.58 118.69 2ctd h GLU 56 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ctd h GLU 56 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2ctd h GLU 56 CO 0.02 0.00 -0.85 0.27 -1.00 0.00 0.00 179.01 177.45 2ctd n ASN 57 N -3.45 3.47 -0.08 1.42 0.23 -0.98 -4.73 115.26 111.14 2ctd n ASN 57 Ca 0.03 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.11 2ctd n ASN 57 Cb 0.49 0.04 0.37 0.00 -2.08 0.00 0.00 39.78 38.59 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 -4.46 0.18 -4.60 0.00 5.02 -0.24 -4.84 118.16 109.23 2ctd n LYS 59 Ca 0.05 -0.33 -0.28 0.00 -2.02 0.00 0.00 58.31 55.73 2ctd n LYS 59 Cb 0.06 -1.97 -0.10 0.00 -0.02 0.00 0.00 35.03 32.99 2ctd n LYS 59 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2ctd s GLN 60 N 7.57 2.00 -0.18 1.97 -0.21 -1.26 -5.05 119.66 124.50 2ctd s GLN 60 Ca 1.10 -2.11 -0.05 0.00 0.02 0.00 0.00 55.36 54.32 2ctd s GLN 60 Cb -0.54 -1.66 -0.03 0.00 1.00 0.00 0.00 33.01 31.78 2ctd s GLN 60 CO 0.37 -0.08 0.00 -2.00 -2.12 0.00 0.00 175.29 171.46 2ctd s GLU 61 N -3.74 3.74 0.29 2.91 2.12 -1.26 -5.08 118.70 117.68 2ctd s GLU 61 Ca 0.33 -0.47 -0.01 0.00 0.36 0.00 0.00 54.97 55.18 2ctd s GLU 61 Cb 0.09 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 2ctd s GLU 61 CO 0.17 0.18 0.50 -1.64 -0.54 0.00 0.00 175.26 173.94 2ctd s MET 62 N 0.56 3.53 0.21 4.30 -1.94 -1.26 -5.02 119.30 119.67 2ctd s MET 62 Ca -0.01 -0.27 0.03 0.00 -1.71 0.00 0.00 55.69 53.74 2ctd s MET 62 Cb -0.14 -2.71 -0.05 0.00 2.01 0.00 0.00 34.83 33.94 2ctd s MET 62 CO 0.02 0.24 -0.02 -0.06 -0.01 0.00 0.00 175.02 175.19 2ctd s PHE 63 N -2.13 1.44 -0.28 -0.03 0.40 -1.26 -5.14 117.98 110.98 2ctd s PHE 63 Ca 0.40 -0.92 -0.04 0.00 -0.60 0.00 0.00 56.93 55.78 2ctd s PHE 63 Cb -0.10 -0.82 0.16 0.00 0.51 0.00 0.00 43.02 42.77 2ctd s PHE 63 CO 0.32 -0.06 0.54 0.99 0.70 0.00 0.00 175.22 177.71 2ctd s THR 64 N -3.46 -0.88 0.98 0.64 2.01 -1.26 -4.24 115.64 109.43 2ctd s THR 64 Ca 0.26 -0.00 -0.14 0.00 0.31 0.00 0.00 61.69 62.12 2ctd s THR 64 Cb 0.05 -0.93 0.06 0.00 0.01 0.00 0.00 72.50 71.69 2ctd s THR 64 CO 0.07 -0.02 0.38 0.00 -0.69 0.00 0.00 174.62 174.35 2ctd n HIS 66 N -3.79 0.00 -0.04 0.00 8.25 -1.26 -3.42 115.22 114.97 2ctd n HIS 66 Ca 0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 2ctd n HIS 66 Cb 0.55 -0.73 -0.08 0.00 1.12 0.00 0.00 29.99 30.84 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 -0.02 -1.39 0.00 4.41 3.86 -2.00 -3.36 115.15 116.64 2ctd h HIS 67 Ca -0.43 0.06 -0.26 0.00 -1.16 0.00 0.00 60.37 58.58 2ctd h HIS 67 Cb 1.66 0.63 -0.04 0.00 1.06 0.00 0.00 27.41 30.71 2ctd h HIS 67 CO 0.02 -0.45 -1.92 0.00 0.86 0.00 0.00 177.93 176.44 2ctd n GLY 69 N 2.44 1.79 3.77 0.00 0.00 -1.22 -5.05 105.19 106.92 2ctd n GLY 69 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.28 2.70 -0.22 1.61 2.20 -1.26 -4.65 119.74 119.84 2ctd s LYS 70 Ca 0.00 1.37 -0.02 0.00 -0.36 0.00 0.00 55.97 56.96 2ctd s LYS 70 Cb 0.00 -1.94 0.07 0.00 -1.51 0.00 0.00 37.83 34.45 2ctd s LYS 70 CO 0.00 -1.33 0.03 -0.65 -0.36 0.00 0.00 175.35 173.04 2ctd s GLN 71 N -4.21 0.85 0.03 4.03 -0.21 -1.26 -1.49 119.66 117.40 2ctd s GLN 71 Ca 0.66 -0.63 0.05 0.00 0.02 0.00 0.00 55.36 55.46 2ctd s GLN 71 Cb -0.20 -2.18 -0.02 0.00 1.00 0.00 0.00 33.01 31.61 2ctd s GLN 71 CO 0.44 -0.69 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.25 2ctd s LEU 72 N 1.73 2.15 0.03 2.90 1.43 -1.26 -5.07 118.68 120.60 2ctd s LEU 72 Ca -0.00 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 2ctd s LEU 72 Cb -0.17 -0.70 -0.17 0.00 0.03 0.00 0.00 46.19 45.17 2ctd s LEU 72 CO -0.10 0.08 1.35 -0.09 0.23 0.00 0.00 176.35 177.81 2ctd h ARG 73 N 5.03 -0.85 -6.34 1.70 2.43 -1.96 -3.40 114.38 110.99 2ctd h ARG 73 Ca -0.38 0.06 -0.57 0.00 -0.81 0.00 0.00 59.98 58.28 2ctd h ARG 73 Cb 1.17 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.87 2ctd h ARG 73 CO 0.45 -0.53 1.02 -1.54 -1.51 0.00 0.00 179.97 177.85 2ctd s SER 74 N -4.50 6.57 0.20 -3.80 1.04 -1.26 -4.84 113.70 107.11 2ctd s SER 74 Ca -0.16 1.30 -0.10 0.00 0.48 0.00 0.00 55.95 57.47 2ctd s SER 74 Cb 0.02 -2.54 0.24 0.00 0.10 0.00 0.00 66.02 63.84 2ctd s SER 74 CO 0.53 -1.15 1.77 0.25 0.98 0.00 0.00 173.24 175.63 2ctd h LEU 75 N 11.17 0.37 -0.03 2.42 5.85 -1.96 -2.76 115.31 130.37 2ctd h LEU 75 Ca -0.28 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.51 2ctd h LEU 75 Cb 1.11 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 2ctd h LEU 75 CO 1.03 0.23 -0.39 0.00 -0.34 0.00 0.00 178.44 178.97 2ctd h ALA 76 N 1.36 -0.81 -0.81 1.25 0.00 -1.97 0.21 119.26 118.50 2ctd h ALA 76 Ca 0.29 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.34 2ctd h ALA 76 Cb 0.27 0.85 -0.13 0.00 0.00 0.00 0.00 17.79 18.77 2ctd h ALA 76 CO -0.23 -0.93 0.12 0.78 0.00 0.00 0.00 179.25 178.99 2ctd h GLY 77 N -0.47 1.08 0.71 0.00 0.00 -1.93 -1.80 103.07 100.66 2ctd h GLY 77 Ca 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 2ctd h GLY 77 CO -0.27 -0.31 -0.34 1.98 0.00 0.00 0.00 176.54 177.60 2ctd h MET 78 N 0.17 -0.91 -0.20 4.80 1.85 -1.08 -2.09 114.93 117.46 2ctd h MET 78 Ca 0.47 0.06 0.06 0.00 -0.61 0.00 0.00 59.70 59.68 2ctd h MET 78 Cb 0.88 0.21 -0.01 0.00 0.43 0.00 0.00 31.60 33.11 2ctd h MET 78 CO -0.64 -0.61 0.85 0.87 -0.40 0.00 0.00 176.91 176.98 2ctd h LYS 79 N -1.09 0.00 0.07 0.39 1.57 -0.03 1.70 116.57 119.18 2ctd h LYS 79 Ca -0.10 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.37 2ctd h LYS 79 Cb 0.73 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 2ctd h LYS 79 CO 0.16 0.00 -1.68 -0.92 -0.57 0.00 0.00 179.45 176.44 2ctd h TYR 80 N 0.00 0.25 0.00 -1.35 5.03 -0.94 -3.30 116.97 116.67 2ctd h TYR 80 Ca 0.10 -0.19 -0.00 0.00 2.58 0.00 0.00 58.73 61.22 2ctd h TYR 80 Cb 1.79 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 40.06 2ctd h TYR 80 CO 0.00 1.31 -0.02 1.12 -1.32 0.00 0.00 178.16 179.25 2ctd h HIS 81 N 0.04 0.00 0.00 -3.82 2.07 0.32 -1.68 115.15 112.08 2ctd h HIS 81 Ca -0.29 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.22 2ctd h HIS 81 Cb 2.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.98 2ctd h HIS 81 CO 0.04 0.02 -0.08 0.28 -3.07 0.00 0.00 177.93 175.11 2ctd h VAL 82 N 0.00 1.50 0.00 6.12 2.07 -1.61 -1.59 116.25 122.74 2ctd h VAL 82 Ca -0.00 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.36 2ctd h VAL 82 Cb 0.07 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2ctd h VAL 82 CO 0.00 0.51 0.00 0.24 0.02 0.00 0.00 177.57 178.34 2ctd h MET 83 N -1.00 0.00 0.00 1.57 2.07 -1.57 0.59 114.93 116.59 2ctd h MET 83 Ca -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 2ctd h MET 83 Cb 0.89 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.62 2ctd h MET 83 CO -0.01 0.00 -0.64 0.00 1.07 0.00 0.00 176.91 177.33 2ctd n ALA 84 N -1.89 0.56 -0.01 6.32 0.00 -0.66 -4.02 120.51 120.82 2ctd n ALA 84 Ca -0.01 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 52.79 2ctd n ALA 84 Cb 0.11 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.97 -0.07 -0.82 0.00 2.35 -1.25 -3.29 115.58 111.52 2ctd h ASN 85 Ca 0.00 -0.57 -0.43 0.00 -0.55 0.00 0.00 56.30 54.76 2ctd h ASN 85 Cb 0.64 0.02 -0.16 0.00 0.05 0.00 0.00 38.32 38.86 2ctd h ASN 85 CO 0.00 0.59 0.35 1.41 -1.65 0.00 0.00 177.43 178.13 2ctd n HIS 86 N -4.81 1.48 -2.42 1.19 8.25 0.20 -4.90 115.22 114.22 2ctd n HIS 86 Ca -0.08 -1.92 -0.40 0.00 -0.26 0.00 0.00 57.72 55.05 2ctd n HIS 86 Cb 0.31 -1.27 -0.03 0.00 1.12 0.00 0.00 29.99 30.12 2ctd n HIS 86 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2ctd s ASN 87 N 0.40 5.94 -0.75 0.41 2.20 -1.17 -4.59 114.94 117.38 2ctd s ASN 87 Ca 0.51 -0.29 0.04 0.00 -0.94 0.00 0.00 52.86 52.18 2ctd s ASN 87 Cb 0.34 -2.55 0.19 0.00 -2.00 0.00 0.00 41.25 37.23 2ctd s ASN 87 CO -0.14 -1.97 0.60 -0.24 -2.94 0.00 0.00 177.10 172.40 2ctd n SER 88 N 10.27 3.41 -4.72 3.54 2.88 -1.26 -5.07 113.62 122.67 2ctd n SER 88 Ca 0.09 -3.23 -0.42 0.00 -1.33 0.00 0.00 58.87 53.98 2ctd n SER 88 Cb 0.50 -0.82 -0.03 0.00 -0.75 0.00 0.00 64.21 63.11 2ctd n SER 88 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 2ctd s LEU 89 N -1.58 4.37 -0.56 2.46 0.05 -1.26 -4.90 118.68 117.26 2ctd s LEU 89 Ca 0.27 2.72 -0.27 0.00 0.05 0.00 0.00 54.13 56.91 2ctd s LEU 89 Cb -0.03 -3.59 -0.02 0.00 -2.05 0.00 0.00 46.19 40.50 2ctd s LEU 89 CO -0.14 -0.89 1.83 -2.16 -0.55 0.00 0.00 176.35 174.43 2ctd s PRO 90 N 1.23 2.79 0.19 1.48 0.04 -1.26 -4.67 135.00 134.79 2ctd s PRO 90 Ca 0.72 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2ctd s PRO 90 Cb -0.46 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 29.74 2ctd s PRO 90 CO 0.32 -2.53 0.00 0.43 0.04 0.00 0.00 177.00 175.25 2ctd n SER 91 N 12.16 0.43 -3.39 6.66 7.64 -1.26 -5.16 113.62 130.70 2ctd n SER 91 Ca 0.21 0.30 -0.09 0.00 1.01 0.00 0.00 58.87 60.30 2ctd n SER 91 Cb 0.51 0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.75 2ctd n SER 91 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ctd s GLY 92 N -4.43 0.40 0.00 0.23 0.00 -1.26 -5.01 107.32 97.25 2ctd s GLY 92 Ca 0.00 -0.74 0.16 0.00 0.00 0.00 0.00 44.72 44.14 2ctd s GLY 92 CO 0.00 -0.38 1.34 -1.55 0.00 0.00 0.00 173.10 172.51 2ctd n PRO 93 N -0.49 0.49 -3.85 2.90 -0.04 -1.26 -4.77 135.00 127.98 2ctd n PRO 93 Ca -0.05 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.32 2ctd n PRO 93 Cb 0.60 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.52 2ctd n PRO 93 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ctd s SER 94 N -2.00 -0.20 -0.20 3.54 1.04 -1.26 -5.08 113.70 109.55 2ctd s SER 94 Ca 0.23 -0.65 -0.14 0.00 0.48 0.00 0.00 55.95 55.87 2ctd s SER 94 Cb 0.11 0.61 -0.20 0.00 0.10 0.00 0.00 66.02 66.63 2ctd s SER 94 CO 0.18 -1.13 0.15 -0.24 0.98 0.00 0.00 173.24 173.18 2ctd n SER 95 N -0.37 1.96 0.00 7.02 2.88 -1.26 -5.00 113.62 118.85 2ctd n SER 95 Ca -0.06 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2ctd n SER 95 Cb 0.62 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 2ctd n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42