#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dar s SER 2 N 0.00 0.05 -0.02 1.61 0.01 -1.26 -5.17 113.70 108.92 2dar s SER 2 Ca 0.00 -1.07 0.07 0.00 1.31 0.00 0.00 55.95 56.27 2dar s SER 2 Cb 0.00 0.56 -0.02 0.00 0.21 0.00 0.00 66.02 66.77 2dar s SER 2 CO 0.00 -1.11 -0.24 -0.55 0.41 0.00 0.00 173.24 171.75 2dar s SER 3 N -3.06 3.25 0.00 2.44 0.15 -1.26 -5.07 113.70 110.15 2dar s SER 3 Ca 0.26 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2dar s SER 3 Cb 0.01 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2dar s SER 3 CO 0.11 0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.47 2dar n GLY 4 N 2.32 1.82 3.64 9.45 0.00 -1.26 -5.18 105.19 115.98 2dar n GLY 4 Ca -0.16 0.23 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 2dar n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dar s SER 5 N 0.00 -0.74 -0.02 1.61 1.04 -1.26 -5.18 113.70 109.16 2dar s SER 5 Ca 0.00 1.28 -0.19 0.00 0.48 0.00 0.00 55.95 57.52 2dar s SER 5 Cb 0.00 1.30 0.04 0.00 0.10 0.00 0.00 66.02 67.46 2dar s SER 5 CO 0.00 -0.21 0.41 -0.55 0.98 0.00 0.00 173.24 173.87 2dar s SER 6 N 1.02 -0.32 0.00 7.02 0.15 -1.26 -5.15 113.70 115.16 2dar s SER 6 Ca -0.05 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.83 2dar s SER 6 Cb -0.05 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2dar s SER 6 CO -0.11 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.42 2dar n GLY 7 N 1.09 2.37 3.19 9.45 0.00 -1.26 -5.15 105.19 114.87 2dar n GLY 7 Ca -0.21 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 2dar n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dar s ASP 8 N 1.00 -0.21 -0.54 1.61 -1.08 -1.26 -5.10 116.67 111.08 2dar s ASP 8 Ca 0.00 0.82 0.04 0.00 -0.52 0.00 0.00 52.55 52.88 2dar s ASP 8 Cb 0.00 1.37 0.14 0.00 -1.46 0.00 0.00 42.92 42.97 2dar s ASP 8 CO 0.00 -0.25 0.32 -1.58 0.52 0.00 0.00 175.17 174.18 2dar s GLN 9 N 2.62 1.89 -0.05 4.34 -0.44 -1.26 -4.85 119.66 121.91 2dar s GLN 9 Ca 0.03 -2.64 0.10 0.00 -2.50 0.00 0.00 55.36 50.35 2dar s GLN 9 Cb -0.13 -3.04 0.18 0.00 -1.64 0.00 0.00 33.01 28.38 2dar s GLN 9 CO -0.14 -1.18 1.08 -0.25 0.50 0.00 0.00 175.29 175.31 2dar n ASP 10 N 2.91 0.84 -3.63 6.67 9.92 -1.26 -5.07 116.55 126.93 2dar n ASP 10 Ca 0.11 -2.39 -0.16 0.00 -0.53 0.00 0.00 54.79 51.82 2dar n ASP 10 Cb 0.34 -0.30 -0.07 0.00 -0.64 0.00 0.00 41.12 40.45 2dar n ASP 10 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2dar s THR 11 N -0.89 0.03 0.46 -3.53 2.01 -1.26 -5.03 115.64 107.43 2dar s THR 11 Ca 0.17 -0.23 0.17 0.00 0.31 0.00 0.00 61.69 62.11 2dar s THR 11 Cb 0.17 -0.82 0.35 0.00 0.01 0.00 0.00 72.50 72.21 2dar s THR 11 CO -0.03 -0.12 1.97 0.25 -0.69 0.00 0.00 174.62 175.99 2dar h LEU 12 N 3.40 0.27 -7.56 4.42 5.85 -1.98 -3.43 115.31 116.28 2dar h LEU 12 Ca -0.28 0.01 -0.58 0.00 0.84 0.00 0.00 57.88 57.87 2dar h LEU 12 Cb 1.16 -0.04 0.08 0.00 0.37 0.00 0.00 40.66 42.23 2dar h LEU 12 CO 0.40 0.15 -0.36 0.52 -0.34 0.00 0.00 178.44 178.81 2dar n VAL 13 N -4.45 1.38 -4.53 1.05 0.31 -1.26 -4.96 118.33 105.88 2dar n VAL 13 Ca 0.11 -0.35 -0.25 0.00 -0.01 0.00 0.00 64.34 63.85 2dar n VAL 13 Cb 0.48 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.30 2dar n VAL 13 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2dar s GLN 14 N -0.69 1.79 -0.02 5.55 -0.21 -0.64 -4.92 119.66 120.51 2dar s GLN 14 Ca 0.58 -1.98 0.01 0.00 0.02 0.00 0.00 55.36 53.98 2dar s GLN 14 Cb -0.83 -1.33 0.02 0.00 1.00 0.00 0.00 33.01 31.87 2dar s GLN 14 CO 0.47 -0.06 -0.01 1.03 -2.12 0.00 0.00 175.29 174.60 2dar s ARG 15 N -3.76 0.32 -0.25 2.91 0.52 -1.26 -2.13 118.95 115.30 2dar s ARG 15 Ca 0.35 0.02 -0.28 0.00 -0.52 0.00 0.00 55.73 55.29 2dar s ARG 15 Cb 0.08 -0.44 0.01 0.00 0.52 0.00 0.00 34.95 35.12 2dar s ARG 15 CO 0.16 -0.08 1.02 0.00 0.02 0.00 0.00 175.30 176.42 2dar s ALA 16 N 0.75 3.65 0.00 2.13 0.00 -1.26 -4.91 121.76 122.12 2dar s ALA 16 Ca -0.08 0.09 -0.32 0.00 0.00 0.00 0.00 51.96 51.66 2dar s ALA 16 Cb -0.11 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.37 2dar s ALA 16 CO -0.01 -1.13 1.92 -1.91 0.00 0.00 0.00 175.76 174.63 2dar n GLU 17 N 6.39 2.60 -2.13 0.00 0.00 -1.05 -4.70 120.64 121.75 2dar n GLU 17 Ca 0.11 0.95 -0.41 0.00 0.00 0.00 0.00 57.16 57.82 2dar n GLU 17 Cb 0.46 -2.86 -0.03 0.00 0.00 0.00 0.00 31.44 29.02 2dar n GLU 17 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2dar s HIS 18 N 4.09 1.90 -0.21 4.31 3.76 -1.26 -3.01 115.29 124.88 2dar s HIS 18 Ca 0.90 0.66 -0.16 0.00 -0.15 0.00 0.00 55.06 56.31 2dar s HIS 18 Cb -0.54 -4.19 -0.04 0.00 1.11 0.00 0.00 32.58 28.92 2dar s HIS 18 CO 0.45 -2.39 0.39 0.42 -0.85 0.00 0.00 174.74 172.75 2dar s ILE 19 N 7.47 5.20 1.13 0.60 -1.09 -0.30 -5.00 121.20 129.20 2dar s ILE 19 Ca 0.67 0.67 -0.17 0.00 -2.23 0.00 0.00 60.65 59.59 2dar s ILE 19 Cb -0.15 -3.72 0.25 0.00 -1.58 0.00 0.00 42.46 37.27 2dar s ILE 19 CO 0.26 0.25 1.10 -2.16 -1.23 0.00 0.00 174.94 173.16 2dar s PRO 20 N 1.36 -0.62 0.43 2.79 0.04 -1.26 -1.59 135.00 136.16 2dar s PRO 20 Ca 0.18 0.15 -0.23 0.00 0.04 0.00 0.00 61.00 61.15 2dar s PRO 20 Cb -0.15 -1.65 -0.09 0.00 0.04 0.00 0.00 34.50 32.66 2dar s PRO 20 CO 0.08 -3.36 1.06 0.00 0.04 0.00 0.00 177.00 174.82 2dar s ALA 21 N -2.99 3.00 0.00 8.56 0.00 -1.26 -3.85 121.76 125.22 2dar s ALA 21 Ca 0.69 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.34 2dar s ALA 21 Cb -0.13 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2dar s ALA 21 CO 0.57 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.45 2dar n GLY 22 N 0.15 1.84 0.27 0.00 0.00 -1.26 -4.73 105.19 101.46 2dar n GLY 22 Ca 0.07 -0.19 0.27 0.00 0.00 0.00 0.00 46.02 46.17 2dar n GLY 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dar n LYS 23 N 0.00 -0.05 -3.61 1.61 3.00 -1.25 -4.50 118.16 113.36 2dar n LYS 23 Ca 0.00 1.14 -0.10 0.00 -0.00 0.00 0.00 58.31 59.35 2dar n LYS 23 Cb 0.00 -2.06 -0.06 0.00 0.00 0.00 0.00 35.03 32.90 2dar n LYS 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2dar s ARG 24 N -5.25 0.56 -0.43 1.64 0.52 -1.26 -5.09 118.95 109.64 2dar s ARG 24 Ca -0.07 0.42 0.10 0.00 -0.52 0.00 0.00 55.73 55.65 2dar s ARG 24 Cb 0.28 0.27 0.32 0.00 0.52 0.00 0.00 34.95 36.34 2dar s ARG 24 CO 0.65 -0.12 0.73 0.25 0.02 0.00 0.00 175.30 176.84 2dar n THR 25 N 1.61 0.51 -1.09 0.02 -2.24 -1.26 -4.68 114.28 107.13 2dar n THR 25 Ca -0.12 -4.71 -0.30 0.00 -2.27 0.00 0.00 64.05 56.65 2dar n THR 25 Cb 0.57 -0.92 0.23 0.00 -2.10 0.00 0.00 70.33 68.11 2dar n THR 25 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2dar s PRO 26 N -2.39 -0.98 -0.15 -0.78 0.04 -1.26 -4.28 135.00 125.20 2dar s PRO 26 Ca 0.41 0.02 -0.18 0.00 0.04 0.00 0.00 61.00 61.28 2dar s PRO 26 Cb 0.29 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 33.18 2dar s PRO 26 CO -0.09 -3.57 0.50 1.41 0.04 0.00 0.00 177.00 175.29 2dar s MET 27 N -5.33 4.29 1.00 4.56 1.75 -1.26 -0.86 119.30 123.45 2dar s MET 27 Ca 0.70 0.46 -0.20 0.00 -1.25 0.00 0.00 55.69 55.40 2dar s MET 27 Cb -0.11 -3.48 -0.01 0.00 2.84 0.00 0.00 34.83 34.07 2dar s MET 27 CO 0.56 0.04 -0.54 0.00 -0.65 0.00 0.00 175.02 174.43 2dar n ALA 29 N -3.96 1.56 -0.03 0.00 0.00 -1.18 -3.91 120.51 112.99 2dar n ALA 29 Ca 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 53.44 52.55 2dar n ALA 29 Cb 0.57 0.03 -0.00 0.00 0.00 0.00 0.00 19.45 20.05 2dar n ALA 29 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2dar h HIS 30 N -0.02 0.00 0.00 0.00 2.07 -1.93 -3.38 115.15 111.89 2dar h HIS 30 Ca -0.46 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.04 2dar h HIS 30 Cb 1.71 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.68 2dar h HIS 30 CO 0.02 0.00 -0.10 0.00 -3.07 0.00 0.00 177.93 174.78 2dar n ASN 32 N -3.26 -5.38 -4.29 0.00 3.02 -1.25 -4.98 115.26 99.12 2dar n ASN 32 Ca 0.00 -0.55 -0.30 0.00 -0.03 0.00 0.00 54.58 53.70 2dar n ASN 32 Cb 0.34 -5.00 -0.16 0.00 -0.61 0.00 0.00 39.78 34.36 2dar n ASN 32 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2dar s GLN 33 N -6.08 1.98 -0.06 3.52 -1.52 -1.26 -4.68 119.66 111.55 2dar s GLN 33 Ca 0.45 -0.89 -0.29 0.00 -1.95 0.00 0.00 55.36 52.67 2dar s GLN 33 Cb -0.20 -1.93 -0.07 0.00 -0.22 0.00 0.00 33.01 30.59 2dar s GLN 33 CO 0.72 0.53 2.06 0.54 -0.25 0.00 0.00 175.29 178.89 2dar s VAL 34 N -0.59 3.02 -0.37 1.09 0.11 -1.26 -0.48 120.40 121.92 2dar s VAL 34 Ca 0.10 0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.88 2dar s VAL 34 Cb -0.09 -3.02 0.00 0.00 -1.53 0.00 0.00 36.38 31.74 2dar s VAL 34 CO -0.01 -0.01 1.41 -0.63 -3.33 0.00 0.00 175.10 172.54 2dar s ILE 35 N 5.96 3.94 -0.58 7.04 1.01 -0.04 -4.90 121.20 133.63 2dar s ILE 35 Ca 0.93 0.99 -0.04 0.00 0.00 0.00 0.00 60.65 62.53 2dar s ILE 35 Cb -0.39 -4.14 0.05 0.00 0.01 0.00 0.00 42.46 38.00 2dar s ILE 35 CO 0.39 -0.64 2.75 0.54 0.00 0.00 0.00 174.94 177.98 2dar n ARG 36 N 7.86 2.75 -1.26 2.79 1.74 -1.26 -4.37 116.66 124.91 2dar n ARG 36 Ca 0.16 -2.47 0.00 0.00 -0.77 0.00 0.00 57.85 54.78 2dar n ARG 36 Cb 0.47 -2.22 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 2dar n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dar n GLY 37 N 1.10 -0.64 3.73 -0.13 0.00 -1.26 -4.93 105.19 103.06 2dar n GLY 37 Ca 0.51 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2dar n GLY 37 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dar s PRO 38 N -0.75 4.37 0.38 1.61 0.04 -1.26 -4.50 135.00 134.89 2dar s PRO 38 Ca 0.00 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.13 2dar s PRO 38 Cb 0.00 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 2dar s PRO 38 CO 0.00 -0.31 0.17 -0.59 0.04 0.00 0.00 177.00 176.31 2dar s PHE 39 N 0.50 1.76 -0.11 0.56 -0.12 -0.62 -4.56 117.98 115.38 2dar s PHE 39 Ca 0.59 -1.39 0.03 0.00 -0.05 0.00 0.00 56.93 56.11 2dar s PHE 39 Cb -0.36 -1.02 0.01 0.00 -0.63 0.00 0.00 43.02 41.02 2dar s PHE 39 CO 0.35 -0.47 -0.21 -0.51 -0.05 0.00 0.00 175.22 174.33 2dar s LEU 40 N -3.53 2.01 -0.28 -1.99 1.43 -0.43 -1.15 118.68 114.74 2dar s LEU 40 Ca 0.29 -0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 2dar s LEU 40 Cb 0.03 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 2dar s LEU 40 CO 0.18 0.10 0.15 0.54 0.23 0.00 0.00 176.35 177.54 2dar s VAL 41 N 0.65 4.83 0.20 -1.59 0.11 -1.16 -0.25 120.40 123.19 2dar s VAL 41 Ca -0.12 -0.08 -0.21 0.00 -2.93 0.00 0.00 61.98 58.64 2dar s VAL 41 Cb -0.16 -3.33 0.04 0.00 -1.53 0.00 0.00 36.38 31.40 2dar s VAL 41 CO 0.03 0.23 0.60 0.00 -3.33 0.00 0.00 175.10 172.63 2dar s ALA 42 N 1.68 -1.28 -0.88 1.54 0.00 0.99 -2.54 121.76 121.27 2dar s ALA 42 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2dar s ALA 42 Cb -0.16 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2dar s ALA 42 CO 0.08 -0.85 0.00 1.28 0.00 0.00 0.00 175.76 176.26 2dar n LEU 43 N -0.39 -0.79 -1.92 0.00 7.99 -1.26 -0.45 117.00 120.19 2dar n LEU 43 Ca -0.11 0.25 -0.09 0.00 -0.01 0.00 0.00 56.01 56.05 2dar n LEU 43 Cb 0.63 -1.73 0.04 0.00 -0.11 0.00 0.00 43.42 42.24 2dar n LEU 43 CO 0.15 -0.27 0.08 0.61 -1.51 0.00 0.00 177.39 176.44 2dar n GLY 44 N -0.49 0.21 3.63 -0.72 0.00 -1.26 -5.03 105.19 101.53 2dar n GLY 44 Ca -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2dar n GLY 44 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dar s LYS 45 N -5.06 0.46 0.14 1.61 2.20 0.41 -5.17 119.74 114.32 2dar s LYS 45 Ca 0.12 -0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.53 2dar s LYS 45 Cb -0.05 0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 2dar s LYS 45 CO 0.31 -0.21 0.17 -1.54 -0.36 0.00 0.00 175.35 173.72 2dar s SER 46 N -2.86 5.79 0.01 1.43 1.04 -1.26 -0.01 113.70 117.85 2dar s SER 46 Ca 0.13 -0.00 -0.11 0.00 0.48 0.00 0.00 55.95 56.45 2dar s SER 46 Cb 0.03 -1.61 0.01 0.00 0.10 0.00 0.00 66.02 64.56 2dar s SER 46 CO -0.04 0.09 0.23 0.26 0.98 0.00 0.00 173.24 174.77 2dar s TRP 47 N -1.66 -0.05 0.17 5.02 0.52 0.66 -3.09 118.94 120.50 2dar s TRP 47 Ca 0.32 -0.03 -0.30 0.00 0.02 0.00 0.00 56.10 56.11 2dar s TRP 47 Cb -0.11 0.02 -0.07 0.00 -1.15 0.00 0.00 33.47 32.16 2dar s TRP 47 CO 0.25 -0.39 1.06 -1.01 0.02 0.00 0.00 176.95 176.88 2dar s HIS 48 N -1.84 3.67 -2.00 -1.98 3.76 -1.26 -1.31 115.29 114.33 2dar s HIS 48 Ca -0.11 1.67 0.12 0.00 -0.15 0.00 0.00 55.06 56.59 2dar s HIS 48 Cb -0.04 -3.20 0.69 0.00 1.11 0.00 0.00 32.58 31.14 2dar s HIS 48 CO 0.00 -0.34 1.13 -0.35 -0.85 0.00 0.00 174.74 174.33 2dar n PRO 49 N 2.40 0.49 -0.08 8.40 -0.04 -1.26 -0.95 135.00 143.96 2dar n PRO 49 Ca 0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.37 2dar n PRO 49 Cb 0.47 -1.37 -0.08 0.00 -0.04 0.00 0.00 33.50 32.48 2dar n PRO 49 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dar n GLU 50 N -0.87 0.58 0.01 0.54 1.02 -1.26 -4.70 120.64 115.96 2dar n GLU 50 Ca 0.09 0.09 -0.22 0.00 -0.02 0.00 0.00 57.16 57.10 2dar n GLU 50 Cb 0.04 -1.34 -0.14 0.00 -0.02 0.00 0.00 31.44 29.98 2dar n GLU 50 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2dar h GLU 51 N 0.00 0.25 -5.06 3.49 5.08 -1.91 -3.45 114.58 112.97 2dar h GLU 51 Ca -0.38 -0.43 -0.49 0.00 -1.00 0.00 0.00 59.36 57.06 2dar h GLU 51 Cb 1.62 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.95 2dar h GLU 51 CO -0.05 1.20 1.75 0.34 -1.00 0.00 0.00 179.01 181.25 2dar n PHE 52 N -3.84 0.64 -4.09 4.33 7.35 -0.12 -4.84 117.46 116.89 2dar n PHE 52 Ca -0.27 0.35 -0.10 0.00 -0.76 0.00 0.00 57.45 56.68 2dar n PHE 52 Cb 0.93 -2.39 -0.09 0.00 0.35 0.00 0.00 39.48 38.29 2dar n PHE 52 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2dar s ASN 53 N 9.24 0.17 1.19 -2.13 0.01 -1.26 -2.47 114.94 119.69 2dar s ASN 53 Ca 1.32 -1.11 -0.17 0.00 -0.71 0.00 0.00 52.86 52.19 2dar s ASN 53 Cb -1.15 0.37 0.28 0.00 0.41 0.00 0.00 41.25 41.16 2dar s ASN 53 CO 0.47 -0.83 1.06 0.00 -1.51 0.00 0.00 177.10 176.29 2dar n ALA 55 N -4.80 2.11 -0.07 0.00 0.00 -1.20 -3.83 120.51 112.72 2dar n ALA 55 Ca 0.10 -0.75 -0.07 0.00 0.00 0.00 0.00 53.44 52.72 2dar n ALA 55 Cb 0.58 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 2dar n ALA 55 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2dar n HIS 56 N -2.36 0.00 0.97 0.00 -0.00 -1.26 -4.59 115.22 107.99 2dar n HIS 56 Ca -0.15 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.71 2dar n HIS 56 Cb 0.75 -0.41 0.57 0.00 -0.00 0.00 0.00 29.99 30.90 2dar n HIS 56 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dar n LYS 58 N -1.55 -1.41 -4.24 0.00 4.76 -1.25 -4.90 118.16 109.56 2dar n LYS 58 Ca 0.07 0.17 -0.28 0.00 -2.87 0.00 0.00 58.31 55.40 2dar n LYS 58 Cb 0.35 -3.70 -0.09 0.00 -1.84 0.00 0.00 35.03 29.75 2dar n LYS 58 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2dar s ASN 59 N -4.28 4.51 -0.27 4.39 0.02 -1.26 -4.66 114.94 113.39 2dar s ASN 59 Ca 0.06 -0.45 -0.37 0.00 -1.02 0.00 0.00 52.86 51.08 2dar s ASN 59 Cb -0.03 -0.88 -0.13 0.00 0.02 0.00 0.00 41.25 40.23 2dar s ASN 59 CO 0.97 0.12 1.94 1.07 0.02 0.00 0.00 177.10 181.22 2dar n THR 60 N 0.16 0.32 -1.69 1.60 5.66 -1.26 -1.82 114.28 117.25 2dar n THR 60 Ca -0.11 -0.14 -0.34 0.00 -3.05 0.00 0.00 64.05 60.41 2dar n THR 60 Cb 0.54 -1.50 0.05 0.00 -1.55 0.00 0.00 70.33 67.88 2dar n THR 60 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2dar n MET 61 N 6.71 2.89 -0.11 1.09 2.81 -1.03 -4.54 117.12 124.95 2dar n MET 61 Ca 0.32 -3.58 -0.25 0.00 -1.81 0.00 0.00 57.70 52.38 2dar n MET 61 Cb 0.19 -2.28 -0.11 0.00 -0.71 0.00 0.00 33.22 30.31 2dar n MET 61 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dar n ALA 62 N -0.74 1.13 -0.03 3.04 0.00 -1.26 -4.66 120.51 117.98 2dar n ALA 62 Ca 0.56 -0.92 -0.21 0.00 0.00 0.00 0.00 53.44 52.86 2dar n ALA 62 Cb 0.57 -0.15 -0.13 0.00 0.00 0.00 0.00 19.45 19.74 2dar n ALA 62 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2dar h TYR 63 N -0.65 0.30 -4.17 0.00 0.05 -1.96 -3.44 116.97 107.10 2dar h TYR 63 Ca -0.57 -0.22 -0.46 0.00 0.05 0.00 0.00 58.73 57.53 2dar h TYR 63 Cb 1.67 -0.01 0.14 0.00 1.01 0.00 0.00 36.73 39.53 2dar h TYR 63 CO -0.00 1.57 0.29 0.96 -1.05 0.00 0.00 178.16 179.93 2dar s ILE 64 N -2.45 1.98 0.40 -2.88 -4.36 -1.26 -5.02 121.20 107.61 2dar s ILE 64 Ca -0.23 0.00 -0.04 0.00 -0.26 0.00 0.00 60.65 60.11 2dar s ILE 64 Cb 0.05 -2.74 0.09 0.00 1.25 0.00 0.00 42.46 41.11 2dar s ILE 64 CO 0.71 0.00 0.55 0.61 0.24 0.00 0.00 174.94 177.05 2dar n GLY 65 N -2.17 -0.44 3.44 6.27 0.00 -1.26 -4.83 105.19 106.21 2dar n GLY 65 Ca 0.07 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 2dar n GLY 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dar s PHE 66 N -1.90 -0.53 -0.05 1.61 -0.12 -0.90 -3.60 117.98 112.48 2dar s PHE 66 Ca 0.33 0.42 0.01 0.00 -0.05 0.00 0.00 56.93 57.63 2dar s PHE 66 Cb -0.01 0.54 0.02 0.00 -0.63 0.00 0.00 43.02 42.94 2dar s PHE 66 CO 0.23 -0.78 -0.04 0.08 -0.05 0.00 0.00 175.22 174.65 2dar s VAL 67 N -3.35 0.54 -0.23 -2.49 1.01 0.41 -1.63 120.40 114.67 2dar s VAL 67 Ca -0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.66 2dar s VAL 67 Cb -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 2dar s VAL 67 CO -0.10 0.24 0.68 -0.70 0.00 0.00 0.00 175.10 175.22 2dar s GLU 68 N 1.07 4.17 -0.15 2.72 2.12 -1.26 -0.37 118.70 126.99 2dar s GLU 68 Ca -0.09 0.68 -0.05 0.00 0.36 0.00 0.00 54.97 55.88 2dar s GLU 68 Cb -0.14 -3.62 0.07 0.00 0.26 0.00 0.00 34.13 30.70 2dar s GLU 68 CO -0.01 -0.38 0.28 -2.00 -0.54 0.00 0.00 175.26 172.61 2dar s GLU 69 N 2.38 0.18 -1.45 4.30 2.56 -0.29 -4.90 118.70 121.47 2dar s GLU 69 Ca 0.29 0.68 -0.07 0.00 0.00 0.00 0.00 54.97 55.87 2dar s GLU 69 Cb -0.16 -0.20 0.05 0.00 2.00 0.00 0.00 34.13 35.83 2dar s GLU 69 CO 0.09 -0.36 0.76 1.63 -0.56 0.00 0.00 175.26 176.82 2dar n LYS 70 N 5.35 -4.63 -3.14 4.30 5.02 -1.26 -1.96 118.16 121.84 2dar n LYS 70 Ca -0.06 0.54 -0.14 0.00 -2.02 0.00 0.00 58.31 56.63 2dar n LYS 70 Cb 0.50 -5.16 0.07 0.00 -0.02 0.00 0.00 35.03 30.42 2dar n LYS 70 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dar n GLY 71 N -1.68 -0.19 3.50 0.72 0.00 -1.26 -5.03 105.19 101.25 2dar n GLY 71 Ca -0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 2dar n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dar s ALA 72 N -3.28 -1.66 -0.29 4.61 0.00 -0.83 -5.14 121.76 115.18 2dar s ALA 72 Ca 0.04 2.03 -0.20 0.00 0.00 0.00 0.00 51.96 53.83 2dar s ALA 72 Cb -0.02 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 2dar s ALA 72 CO 0.57 -0.73 0.60 -0.51 0.00 0.00 0.00 175.76 175.69 2dar s LEU 73 N 2.48 4.12 -0.11 0.00 1.43 -1.25 -1.13 118.68 124.21 2dar s LEU 73 Ca -0.06 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 2dar s LEU 73 Cb -0.11 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 2dar s LEU 73 CO -0.17 -0.41 -0.20 -0.31 0.23 0.00 0.00 176.35 175.49 2dar s TYR 74 N 2.51 2.66 0.78 0.29 2.02 0.50 -3.27 117.35 122.84 2dar s TYR 74 Ca 0.24 -0.86 -0.12 0.00 -0.37 0.00 0.00 57.07 55.96 2dar s TYR 74 Cb -0.15 -1.76 0.07 0.00 -0.40 0.00 0.00 41.96 39.72 2dar s TYR 74 CO 0.11 -0.32 1.14 0.00 -1.57 0.00 0.00 175.55 174.90 2dar h GLU 76 N -0.91 0.25 0.66 0.00 -0.00 -1.89 -0.94 114.58 111.75 2dar h GLU 76 Ca -0.45 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.36 58.86 2dar h GLU 76 Cb 1.26 -0.06 0.01 0.00 -0.00 0.00 0.00 28.75 29.96 2dar h GLU 76 CO 0.49 0.17 -0.32 -0.07 -0.00 0.00 0.00 179.01 179.28 2dar h LEU 77 N 0.26 -0.75 -0.36 3.06 3.38 -1.91 -0.61 115.31 118.38 2dar h LEU 77 Ca 0.65 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.72 2dar h LEU 77 Cb 1.89 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 42.76 2dar h LEU 77 CO -0.29 -0.51 -0.14 0.00 0.09 0.00 0.00 178.44 177.59 2dar h TYR 79 N -0.07 -0.71 -0.99 0.00 5.03 -1.22 0.58 116.97 119.58 2dar h TYR 79 Ca 0.18 0.01 0.24 0.00 2.58 0.00 0.00 58.73 61.75 2dar h TYR 79 Cb 0.34 0.29 -0.08 0.00 1.55 0.00 0.00 36.73 38.83 2dar h TYR 79 CO -0.37 -0.30 0.65 1.49 -1.32 0.00 0.00 178.16 178.31 2dar h GLU 80 N -0.42 0.39 0.07 1.82 4.81 -0.90 1.85 114.58 122.20 2dar h GLU 80 Ca -0.01 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2dar h GLU 80 Cb 0.39 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2dar h GLU 80 CO -0.09 0.26 -0.03 0.87 -0.73 0.00 0.00 179.01 179.28 2dar h LYS 81 N 0.40 -0.09 0.00 1.92 1.57 0.02 -1.99 116.57 118.40 2dar h LYS 81 Ca 0.55 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2dar h LYS 81 Cb 1.39 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.72 2dar h LYS 81 CO -0.24 0.11 -0.26 0.74 -0.57 0.00 0.00 179.45 179.23 2dar h PHE 82 N -0.27 0.00 0.25 -1.35 0.04 0.74 -3.31 116.94 113.03 2dar h PHE 82 Ca -0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 2dar h PHE 82 Cb 0.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 2dar h PHE 82 CO -0.01 0.00 -0.24 0.74 -0.60 0.00 0.00 178.31 178.20 2dar h PHE 83 N -0.80 -0.65 -0.15 -0.55 0.04 0.26 -2.78 116.94 112.32 2dar h PHE 83 Ca 0.00 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 2dar h PHE 83 Cb 0.26 0.25 -0.08 0.00 2.20 0.00 0.00 35.95 38.58 2dar h PHE 83 CO -0.11 -0.32 -0.28 0.00 -0.60 0.00 0.00 178.31 177.01 2dar n ALA 84 N -2.51 6.36 -2.26 2.45 0.00 -0.76 -4.91 120.51 118.89 2dar n ALA 84 Ca -0.06 -1.97 -0.26 0.00 0.00 0.00 0.00 53.44 51.15 2dar n ALA 84 Cb 0.22 -2.28 0.01 0.00 0.00 0.00 0.00 19.45 17.40 2dar n ALA 84 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dar s SER 85 N 1.77 6.02 0.48 0.00 1.04 -1.05 -4.59 113.70 117.38 2dar s SER 85 Ca 0.65 0.74 -0.23 0.00 0.48 0.00 0.00 55.95 57.59 2dar s SER 85 Cb 0.32 -1.98 -0.07 0.00 0.10 0.00 0.00 66.02 64.39 2dar s SER 85 CO -0.03 -0.70 1.21 -0.83 0.98 0.00 0.00 173.24 173.87 2dar s GLY 86 N -4.17 2.80 -0.13 7.32 0.00 -1.26 -4.95 107.32 106.93 2dar s GLY 86 Ca 0.49 1.03 -0.29 0.00 0.00 0.00 0.00 44.72 45.94 2dar s GLY 86 CO 0.43 1.50 1.55 2.56 0.00 0.00 0.00 173.10 179.14 2dar s PRO 87 N -2.75 4.07 0.23 2.90 0.04 -1.26 -5.00 135.00 133.23 2dar s PRO 87 Ca 0.65 1.90 0.02 0.00 0.04 0.00 0.00 61.00 63.62 2dar s PRO 87 Cb -0.31 -3.95 -0.05 0.00 0.04 0.00 0.00 34.50 30.23 2dar s PRO 87 CO 0.38 -0.95 0.03 -1.12 0.04 0.00 0.00 177.00 175.37 2dar s SER 88 N 3.28 1.53 0.83 6.66 0.01 -1.26 -5.17 113.70 119.59 2dar s SER 88 Ca 0.68 -1.25 -0.08 0.00 1.31 0.00 0.00 55.95 56.60 2dar s SER 88 Cb -0.28 0.07 0.15 0.00 0.21 0.00 0.00 66.02 66.17 2dar s SER 88 CO 0.26 -0.59 1.15 -0.94 0.41 0.00 0.00 173.24 173.53 2dar s SER 89 N -3.28 3.86 0.00 2.44 1.04 -1.26 -5.29 113.70 111.21 2dar s SER 89 Ca 0.30 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2dar s SER 89 Cb 0.06 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.88 2dar s SER 89 CO 0.09 -2.22 0.23 0.61 0.98 0.00 0.00 173.24 172.93