#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n27 n SER 2 N 0.00 0.00 -4.40 1.61 7.64 -1.26 -4.72 113.62 112.50 1n27 n SER 2 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1n27 n SER 2 Cb 0.00 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.43 1n27 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1n27 s SER 3 N -4.00 1.33 0.00 6.43 0.15 -1.26 -4.96 113.70 111.39 1n27 s SER 3 Ca 0.00 1.20 0.00 0.00 0.70 0.00 0.00 55.95 57.85 1n27 s SER 3 Cb 0.00 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 1n27 s SER 3 CO 0.00 -3.94 0.00 0.61 1.20 0.00 0.00 173.24 171.11 1n27 n GLY 4 N -0.08 1.14 0.12 9.45 0.00 -1.26 -5.05 105.19 109.51 1n27 n GLY 4 Ca 0.05 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 1n27 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1n27 h SER 5 N 0.00 0.42 -1.33 1.61 4.64 -2.01 -3.51 113.55 113.37 1n27 h SER 5 Ca 0.00 -0.92 0.11 0.00 -0.47 0.00 0.00 61.79 60.51 1n27 h SER 5 Cb 0.00 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1n27 h SER 5 CO 0.00 1.45 0.33 -1.54 -0.87 0.00 0.00 176.83 176.20 1n27 n SER 6 N -4.09 -0.71 0.00 4.97 3.41 -1.26 -5.02 113.62 110.92 1n27 n SER 6 Ca -0.17 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 1n27 n SER 6 Cb 0.83 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.92 1n27 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n27 n GLY 7 N -0.37 1.75 0.05 5.00 0.00 -1.26 -5.06 105.19 105.31 1n27 n GLY 7 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1n27 n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n27 n GLU 8 N 1.82 0.00 -1.84 1.61 4.07 -1.26 -4.87 120.64 120.16 1n27 n GLU 8 Ca 0.00 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 1n27 n GLU 8 Cb 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.37 1n27 n GLU 8 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1n27 s TYR 9 N 0.00 2.78 0.23 4.31 2.02 -1.26 -5.03 117.35 120.39 1n27 s TYR 9 Ca 0.00 0.93 0.01 0.00 -0.37 0.00 0.00 57.07 57.65 1n27 s TYR 9 Cb 0.00 -4.00 -0.05 0.00 -0.40 0.00 0.00 41.96 37.52 1n27 s TYR 9 CO 0.00 -3.22 0.06 0.15 -1.57 0.00 0.00 175.55 170.97 1n27 s LYS 10 N -0.86 1.31 0.27 -0.62 1.02 -1.26 -5.11 119.74 114.48 1n27 s LYS 10 Ca 0.60 -1.68 -0.28 0.00 0.02 0.00 0.00 55.97 54.62 1n27 s LYS 10 Cb -0.46 -0.27 -0.15 0.00 -0.52 0.00 0.00 37.83 36.43 1n27 s LYS 10 CO 0.50 -0.23 0.94 0.00 -0.92 0.00 0.00 175.35 175.64 1n27 n ALA 11 N -0.39 -0.70 -1.27 5.17 0.00 -1.26 -2.97 120.51 119.09 1n27 n ALA 11 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1n27 n ALA 11 Cb 0.65 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1n27 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n27 n GLY 12 N 1.40 0.55 3.80 0.00 0.00 -0.57 -5.03 105.19 105.35 1n27 n GLY 12 Ca 0.11 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 1n27 n GLY 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n27 s ASP 13 N -2.84 4.84 -0.09 1.61 -1.08 -1.16 -4.97 116.67 112.98 1n27 s ASP 13 Ca 0.00 -0.78 -0.01 0.00 -0.52 0.00 0.00 52.55 51.25 1n27 s ASP 13 Cb 0.00 -0.68 -0.03 0.00 -1.46 0.00 0.00 42.92 40.75 1n27 s ASP 13 CO 0.00 -0.46 -0.05 -0.76 0.52 0.00 0.00 175.17 174.43 1n27 s LEU 14 N -3.96 3.27 0.28 -1.34 1.43 -1.26 -0.82 118.68 116.27 1n27 s LEU 14 Ca 0.42 -0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 1n27 s LEU 14 Cb -0.02 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1n27 s LEU 14 CO 0.25 0.33 0.23 0.68 0.23 0.00 0.00 176.35 178.07 1n27 s VAL 15 N -0.62 0.00 0.12 -1.59 -7.23 -0.22 -2.43 120.40 108.43 1n27 s VAL 15 Ca 0.10 -1.97 0.06 0.00 -1.81 0.00 0.00 61.98 58.35 1n27 s VAL 15 Cb -0.12 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1n27 s VAL 15 CO 0.02 0.00 0.01 -0.36 -0.31 0.00 0.00 175.10 174.46 1n27 s PHE 16 N -3.73 2.94 0.03 2.82 0.08 -0.65 -1.34 117.98 118.13 1n27 s PHE 16 Ca 0.39 -0.07 0.02 0.00 0.12 0.00 0.00 56.93 57.40 1n27 s PHE 16 Cb 0.04 -1.48 -0.02 0.00 -0.57 0.00 0.00 43.02 40.99 1n27 s PHE 16 CO 0.21 0.49 -0.08 0.00 -0.10 0.00 0.00 175.22 175.74 1n27 s ALA 17 N -1.48 0.63 -0.25 5.36 0.00 -0.56 -2.64 121.76 122.81 1n27 s ALA 17 Ca 0.26 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 1n27 s ALA 17 Cb -0.11 -0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.07 1n27 s ALA 17 CO 0.19 0.04 0.07 0.21 0.00 0.00 0.00 175.76 176.27 1n27 s LYS 18 N -1.18 0.59 0.58 0.00 2.47 -1.26 -0.68 119.74 120.26 1n27 s LYS 18 Ca -0.05 -0.67 -0.03 0.00 -1.56 0.00 0.00 55.97 53.66 1n27 s LYS 18 Cb -0.08 -1.90 0.03 0.00 -1.46 0.00 0.00 37.83 34.41 1n27 s LYS 18 CO 0.00 -0.83 0.86 -1.64 0.16 0.00 0.00 175.35 173.90 1n27 s MET 19 N 1.82 2.68 -0.30 4.03 -1.94 -1.26 -4.98 119.30 119.35 1n27 s MET 19 Ca 0.04 -0.34 -0.36 0.00 -1.71 0.00 0.00 55.69 53.33 1n27 s MET 19 Cb -0.17 -2.35 -0.12 0.00 2.01 0.00 0.00 34.83 34.20 1n27 s MET 19 CO -0.19 -0.76 2.06 1.17 -0.01 0.00 0.00 175.02 177.30 1n27 n LYS 20 N -2.52 1.25 0.00 2.03 4.81 -1.26 -1.68 118.16 120.80 1n27 n LYS 20 Ca 0.06 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1n27 n LYS 20 Cb 0.59 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.21 1n27 n LYS 20 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n27 n GLY 21 N 5.80 2.01 3.64 3.14 0.00 -1.26 -5.02 105.19 113.51 1n27 n GLY 21 Ca 0.36 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1n27 n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n27 s TYR 22 N -0.51 1.79 0.80 1.61 2.02 -0.68 -5.08 117.35 117.30 1n27 s TYR 22 Ca 0.00 1.49 -0.09 0.00 -0.37 0.00 0.00 57.07 58.10 1n27 s TYR 22 Cb 0.00 -3.21 0.18 0.00 -0.40 0.00 0.00 41.96 38.53 1n27 s TYR 22 CO 0.00 -2.92 1.10 -0.35 -1.57 0.00 0.00 175.55 171.80 1n27 n PRO 23 N -4.28 -0.69 -1.92 -1.71 -0.04 -1.26 -4.52 135.00 120.57 1n27 n PRO 23 Ca 0.08 -2.18 -0.27 0.00 -0.04 0.00 0.00 63.50 61.09 1n27 n PRO 23 Cb 0.53 -0.98 -0.05 0.00 -0.04 0.00 0.00 33.50 32.97 1n27 n PRO 23 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1n27 s HIS 24 N -3.32 1.59 0.23 0.54 3.76 -1.26 -4.38 115.29 112.46 1n27 s HIS 24 Ca 0.66 1.00 -0.30 0.00 -0.15 0.00 0.00 55.06 56.27 1n27 s HIS 24 Cb -0.03 -3.90 -0.09 0.00 1.11 0.00 0.00 32.58 29.68 1n27 s HIS 24 CO 0.45 -1.87 1.00 -0.46 -0.85 0.00 0.00 174.74 173.01 1n27 s TRP 25 N 10.99 3.83 0.28 1.40 -0.11 0.15 -4.80 118.94 130.67 1n27 s TRP 25 Ca 0.76 1.82 -0.29 0.00 1.22 0.00 0.00 56.10 59.61 1n27 s TRP 25 Cb -0.10 -3.09 -0.10 0.00 -1.50 0.00 0.00 33.47 28.68 1n27 s TRP 25 CO 0.07 0.08 1.37 -1.25 -4.62 0.00 0.00 176.95 172.60 1n27 s PRO 26 N -1.06 4.32 0.06 5.86 0.04 -1.26 -1.50 135.00 141.45 1n27 s PRO 26 Ca 0.43 2.24 -0.08 0.00 0.04 0.00 0.00 61.00 63.64 1n27 s PRO 26 Cb -0.28 -3.10 -0.00 0.00 0.04 0.00 0.00 34.50 31.16 1n27 s PRO 26 CO 0.34 -0.30 0.16 0.00 0.04 0.00 0.00 177.00 177.24 1n27 s ALA 27 N -0.51 -0.20 0.00 8.56 0.00 -0.45 -2.60 121.76 126.56 1n27 s ALA 27 Ca 0.54 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.03 1n27 s ALA 27 Cb -0.40 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1n27 s ALA 27 CO 0.47 -0.40 -0.11 -0.98 0.00 0.00 0.00 175.76 174.74 1n27 s ARG 28 N -3.09 0.84 -0.58 0.00 1.04 -0.98 -1.05 118.95 115.14 1n27 s ARG 28 Ca -0.01 -0.47 -0.28 0.00 -1.04 0.00 0.00 55.73 53.93 1n27 s ARG 28 Cb 0.01 -0.81 0.02 0.00 -2.04 0.00 0.00 34.95 32.13 1n27 s ARG 28 CO -0.07 0.22 1.31 0.42 -0.04 0.00 0.00 175.30 177.14 1n27 s ILE 29 N -0.43 3.89 1.09 4.99 -1.09 -0.00 -1.17 121.20 128.47 1n27 s ILE 29 Ca 0.03 0.77 -0.13 0.00 -2.23 0.00 0.00 60.65 59.08 1n27 s ILE 29 Cb -0.05 -4.59 0.24 0.00 -1.58 0.00 0.00 42.46 36.48 1n27 s ILE 29 CO -0.00 -1.28 1.07 -0.62 -1.23 0.00 0.00 174.94 172.88 1n27 s ASP 30 N 3.73 1.81 0.58 3.58 -1.08 -0.48 -1.51 116.67 123.29 1n27 s ASP 30 Ca 0.47 1.19 -0.02 0.00 -0.52 0.00 0.00 52.55 53.67 1n27 s ASP 30 Cb -0.09 -1.85 0.03 0.00 -1.46 0.00 0.00 42.92 39.55 1n27 s ASP 30 CO 0.25 -3.64 0.84 -0.70 0.52 0.00 0.00 175.17 172.44 1n27 s GLU 31 N -4.87 2.63 -0.35 4.34 2.12 -1.26 -4.42 118.70 116.89 1n27 s GLU 31 Ca 0.67 -0.46 -0.05 0.00 0.36 0.00 0.00 54.97 55.49 1n27 s GLU 31 Cb -0.19 -2.39 0.06 0.00 0.26 0.00 0.00 34.13 31.87 1n27 s GLU 31 CO 0.59 -0.75 0.11 -0.51 -0.54 0.00 0.00 175.26 174.17 1n27 s LEU 32 N -4.88 4.47 1.21 2.70 1.43 -1.26 -4.98 118.68 117.37 1n27 s LEU 32 Ca 0.56 -1.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.12 1n27 s LEU 32 Cb -0.10 -1.84 0.29 0.00 0.03 0.00 0.00 46.19 44.57 1n27 s LEU 32 CO 0.41 -0.37 1.04 -2.16 0.23 0.00 0.00 176.35 175.50 1n27 s PRO 33 N 1.32 -1.28 0.99 1.29 0.04 -1.26 -5.02 135.00 131.08 1n27 s PRO 33 Ca -0.00 0.30 -0.11 0.00 0.04 0.00 0.00 61.00 61.23 1n27 s PRO 33 Cb -0.21 -1.56 0.19 0.00 0.04 0.00 0.00 34.50 32.97 1n27 s PRO 33 CO 0.01 -3.83 1.11 -1.83 0.04 0.00 0.00 177.00 172.49 1n27 s GLU 34 N -5.00 0.42 0.00 4.56 -1.05 -1.26 -3.71 118.70 112.66 1n27 s GLU 34 Ca 0.69 1.30 0.00 0.00 -0.15 0.00 0.00 54.97 56.81 1n27 s GLU 34 Cb -0.16 -1.68 0.00 0.00 -0.44 0.00 0.00 34.13 31.85 1n27 s GLU 34 CO 0.59 -2.96 0.00 0.41 0.95 0.00 0.00 175.26 174.25 1n27 n GLY 35 N 0.33 0.54 3.60 -3.83 0.00 -1.26 -4.94 105.19 99.64 1n27 n GLY 35 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1n27 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n27 s ALA 36 N -1.38 0.64 0.57 4.61 0.00 -1.24 -5.02 121.76 119.94 1n27 s ALA 36 Ca 0.00 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 50.81 1n27 s ALA 36 Cb 0.00 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1n27 s ALA 36 CO 0.00 -3.55 1.28 0.08 0.00 0.00 0.00 175.76 173.57 1n27 s VAL 37 N -3.02 2.34 -0.40 0.00 1.01 -1.26 -5.01 120.40 114.05 1n27 s VAL 37 Ca 0.71 0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.84 1n27 s VAL 37 Cb -0.10 -3.11 0.07 0.00 0.00 0.00 0.00 36.38 33.25 1n27 s VAL 37 CO 0.56 -0.02 0.22 -0.54 0.00 0.00 0.00 175.10 175.32 1n27 s LYS 38 N -3.07 2.54 0.99 2.72 -0.14 -1.26 -5.02 119.74 116.50 1n27 s LYS 38 Ca 0.74 -1.44 -0.12 0.00 -1.36 0.00 0.00 55.97 53.79 1n27 s LYS 38 Cb -0.36 -3.69 0.18 0.00 -1.68 0.00 0.00 37.83 32.28 1n27 s LYS 38 CO 0.41 -0.91 1.09 -1.25 -0.76 0.00 0.00 175.35 173.94 1n27 s PRO 39 N 1.39 0.51 0.79 -1.68 0.04 -1.26 -5.04 135.00 129.75 1n27 s PRO 39 Ca 0.03 0.54 -0.10 0.00 0.04 0.00 0.00 61.00 61.50 1n27 s PRO 39 Cb -0.22 -1.75 0.07 0.00 0.04 0.00 0.00 34.50 32.64 1n27 s PRO 39 CO 0.01 -2.68 1.10 -1.25 0.04 0.00 0.00 177.00 174.22 1n27 s PRO 40 N -4.97 2.13 0.00 0.56 0.04 -1.26 -4.89 135.00 126.61 1n27 s PRO 40 Ca 0.65 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1n27 s PRO 40 Cb -0.18 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1n27 s PRO 40 CO 0.57 -1.75 0.45 0.00 0.04 0.00 0.00 177.00 176.32 1n27 n ALA 41 N -3.60 1.97 -1.15 8.56 0.00 -1.26 -2.81 120.51 122.23 1n27 n ALA 41 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1n27 n ALA 41 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1n27 n ALA 41 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1n27 n ASN 42 N -0.23 0.00 -4.11 0.00 2.85 -1.26 -5.09 115.26 107.41 1n27 n ASN 42 Ca 0.00 -1.00 -0.09 0.00 -0.11 0.00 0.00 54.58 53.38 1n27 n ASN 42 Cb 0.05 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.97 1n27 n ASN 42 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1n27 s LYS 43 N 0.00 0.89 0.16 1.20 1.02 -1.12 -4.44 119.74 117.44 1n27 s LYS 43 Ca 0.00 -1.36 0.10 0.00 0.02 0.00 0.00 55.97 54.74 1n27 s LYS 43 Cb 0.00 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.52 1n27 s LYS 43 CO 0.00 -0.25 -0.23 0.71 -0.92 0.00 0.00 175.35 174.66 1n27 s TYR 44 N -4.01 2.14 -0.93 3.18 2.02 -0.31 -4.78 117.35 114.66 1n27 s TYR 44 Ca 0.20 -0.39 -0.24 0.00 -0.37 0.00 0.00 57.07 56.26 1n27 s TYR 44 Cb 0.07 -1.10 0.00 0.00 -0.40 0.00 0.00 41.96 40.53 1n27 s TYR 44 CO -0.01 0.38 1.68 -1.25 -1.57 0.00 0.00 175.55 174.78 1n27 s PRO 45 N -2.42 3.07 -0.28 -1.71 0.04 -1.26 -3.09 135.00 129.35 1n27 s PRO 45 Ca 0.16 -0.62 -0.27 0.00 0.04 0.00 0.00 61.00 60.31 1n27 s PRO 45 Cb -0.08 -5.12 0.01 0.00 0.04 0.00 0.00 34.50 29.35 1n27 s PRO 45 CO 0.07 -2.74 0.96 0.42 0.04 0.00 0.00 177.00 175.75 1n27 s ILE 46 N 7.45 4.67 0.33 0.56 -1.09 -1.23 -1.39 121.20 130.50 1n27 s ILE 46 Ca 0.57 1.66 -0.16 0.00 -2.23 0.00 0.00 60.65 60.48 1n27 s ILE 46 Cb -0.04 -4.28 -0.09 0.00 -1.58 0.00 0.00 42.46 36.47 1n27 s ILE 46 CO -0.03 -0.28 0.76 0.12 -1.23 0.00 0.00 174.94 174.28 1n27 s PHE 47 N 3.24 3.39 -0.29 3.97 5.36 -0.32 -3.78 117.98 129.56 1n27 s PHE 47 Ca 0.40 1.28 -0.04 0.00 -0.96 0.00 0.00 56.93 57.61 1n27 s PHE 47 Cb -0.14 -2.58 0.03 0.00 -0.34 0.00 0.00 43.02 39.99 1n27 s PHE 47 CO 0.11 0.09 0.02 -0.06 -1.46 0.00 0.00 175.22 173.92 1n27 s PHE 48 N -1.97 3.16 0.86 10.12 0.08 -0.74 -2.32 117.98 127.18 1n27 s PHE 48 Ca 0.54 -1.39 -0.10 0.00 0.12 0.00 0.00 56.93 56.10 1n27 s PHE 48 Cb -0.11 -2.17 0.11 0.00 -0.57 0.00 0.00 43.02 40.29 1n27 s PHE 48 CO 0.17 -0.69 1.12 -0.06 -0.10 0.00 0.00 175.22 175.66 1n27 s PHE 49 N 1.38 2.05 0.00 0.36 0.08 -1.07 -0.82 117.98 119.96 1n27 s PHE 49 Ca -0.00 1.66 0.00 0.00 0.12 0.00 0.00 56.93 58.71 1n27 s PHE 49 Cb -0.18 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.07 1n27 s PHE 49 CO -0.00 -2.39 0.00 0.41 -0.10 0.00 0.00 175.22 173.14 1n27 n GLY 50 N -0.44 1.13 0.05 4.36 0.00 -1.26 -4.32 105.19 104.72 1n27 n GLY 50 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1n27 n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n27 n THR 51 N 0.00 0.41 -1.55 2.61 -2.24 -1.25 -4.83 114.28 107.43 1n27 n THR 51 Ca 0.00 -0.57 -0.14 0.00 -2.27 0.00 0.00 64.05 61.07 1n27 n THR 51 Cb 0.00 -0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 1n27 n THR 51 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1n27 n HIS 52 N -2.47 -0.11 -1.34 4.78 -0.00 -0.00 -5.00 115.22 111.07 1n27 n HIS 52 Ca -0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.35 1n27 n HIS 52 Cb 0.66 -2.57 0.11 0.00 -0.00 0.00 0.00 29.99 28.18 1n27 n HIS 52 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1n27 s GLU 53 N -3.44 1.86 -0.02 -0.41 0.41 -1.20 -4.79 118.70 111.12 1n27 s GLU 53 Ca 0.00 0.86 -0.04 0.00 -0.41 0.00 0.00 54.97 55.39 1n27 s GLU 53 Cb 0.00 -1.87 0.00 0.00 -1.78 0.00 0.00 34.13 30.48 1n27 s GLU 53 CO 0.00 -1.83 0.09 0.95 -0.49 0.00 0.00 175.26 173.98 1n27 s THR 54 N -3.00 0.03 0.23 3.63 -4.23 -1.26 -1.79 115.64 109.25 1n27 s THR 54 Ca 0.62 -0.22 -0.08 0.00 -1.18 0.00 0.00 61.69 60.83 1n27 s THR 54 Cb -0.16 -0.21 0.03 0.00 1.34 0.00 0.00 72.50 73.50 1n27 s THR 54 CO 0.56 -0.12 0.44 0.00 -0.54 0.00 0.00 174.62 174.96 1n27 n ALA 55 N 2.59 -0.94 -3.63 3.99 0.00 -1.25 -5.07 120.51 116.20 1n27 n ALA 55 Ca -0.15 -0.78 -0.33 0.00 0.00 0.00 0.00 53.44 52.19 1n27 n ALA 55 Cb 0.58 0.62 -0.16 0.00 0.00 0.00 0.00 19.45 20.49 1n27 n ALA 55 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1n27 s PHE 56 N -4.82 2.67 0.08 0.00 0.08 -1.26 -3.47 117.98 111.26 1n27 s PHE 56 Ca 0.10 -1.32 0.05 0.00 0.12 0.00 0.00 56.93 55.89 1n27 s PHE 56 Cb -0.03 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 1n27 s PHE 56 CO 0.08 -0.60 -0.14 -0.51 -0.10 0.00 0.00 175.22 173.95 1n27 s LEU 57 N 0.79 2.30 0.48 -0.37 1.43 -1.18 -4.89 118.68 117.24 1n27 s LEU 57 Ca -0.08 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 1n27 s LEU 57 Cb -0.16 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.55 1n27 s LEU 57 CO -0.01 -0.09 0.71 -0.83 0.23 0.00 0.00 176.35 176.35 1n27 s GLY 58 N -1.87 1.62 0.55 -3.19 0.00 -1.26 -1.16 107.32 102.00 1n27 s GLY 58 Ca 0.00 -1.09 0.32 0.00 0.00 0.00 0.00 44.72 43.95 1n27 s GLY 58 CO 0.02 -0.89 2.06 -0.56 0.00 0.00 0.00 173.10 173.74 1n27 h PRO 59 N 0.30 0.00 0.00 2.90 0.13 -1.93 -1.56 132.00 131.83 1n27 h PRO 59 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1n27 h PRO 59 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1n27 h PRO 59 CO 0.56 0.08 0.00 1.63 -0.23 0.00 0.00 178.00 180.04 1n27 n LYS 60 N -3.33 0.10 0.00 0.86 4.76 -1.26 -2.03 118.16 117.25 1n27 n LYS 60 Ca -0.01 0.58 0.09 0.00 -2.87 0.00 0.00 58.31 56.09 1n27 n LYS 60 Cb 0.26 -1.81 -0.01 0.00 -1.84 0.00 0.00 35.03 31.62 1n27 n LYS 60 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1n27 n ASP 61 N -2.03 1.62 -4.32 4.39 8.00 -0.59 -5.05 116.55 118.58 1n27 n ASP 61 Ca -0.01 -1.31 -0.27 0.00 0.71 0.00 0.00 54.79 53.91 1n27 n ASP 61 Cb 0.04 0.53 -0.14 0.00 -0.02 0.00 0.00 41.12 41.53 1n27 n ASP 61 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n27 s LEU 62 N -2.20 2.23 0.01 0.64 1.43 -0.86 -4.16 118.68 115.77 1n27 s LEU 62 Ca 0.14 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1n27 s LEU 62 Cb 0.14 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 1n27 s LEU 62 CO 0.47 0.17 -0.08 -0.36 0.23 0.00 0.00 176.35 176.77 1n27 s PHE 63 N -0.93 0.74 -0.16 0.29 0.40 -1.08 -4.96 117.98 112.27 1n27 s PHE 63 Ca 0.10 -0.25 -0.29 0.00 -0.60 0.00 0.00 56.93 55.89 1n27 s PHE 63 Cb -0.10 -0.46 -0.05 0.00 0.51 0.00 0.00 43.02 42.93 1n27 s PHE 63 CO 0.03 -0.02 1.85 -1.25 0.70 0.00 0.00 175.22 176.54 1n27 s PRO 64 N -0.66 3.71 0.18 0.24 0.04 -1.26 -1.64 135.00 135.60 1n27 s PRO 64 Ca -0.00 1.98 -0.22 0.00 0.04 0.00 0.00 61.00 62.80 1n27 s PRO 64 Cb -0.05 -4.15 0.09 0.00 0.04 0.00 0.00 34.50 30.43 1n27 s PRO 64 CO 0.00 -1.42 1.59 -0.92 0.04 0.00 0.00 177.00 176.29 1n27 h TYR 65 N 11.81 -0.91 0.00 0.56 3.20 -1.74 -2.09 116.97 127.80 1n27 h TYR 65 Ca -0.39 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.54 1n27 h TYR 65 Cb 1.19 0.47 -0.00 0.00 1.54 0.00 0.00 36.73 39.94 1n27 h TYR 65 CO 0.93 -0.38 -0.00 -0.22 -1.64 0.00 0.00 178.16 176.85 1n27 h LYS 66 N -0.20 0.00 0.19 1.82 3.64 -1.90 0.13 116.57 120.25 1n27 h LYS 66 Ca 0.20 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1n27 h LYS 66 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1n27 h LYS 66 CO -0.61 0.00 -0.09 1.49 -2.27 0.00 0.00 179.45 177.97 1n27 h GLU 67 N 0.00 -0.25 -0.69 1.90 4.22 -1.78 -3.35 114.58 114.63 1n27 h GLU 67 Ca -0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1n27 h GLU 67 Cb 0.01 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1n27 h GLU 67 CO 0.00 0.05 0.00 0.66 -2.18 0.00 0.00 179.01 177.54 1n27 n TYR 68 N -4.94 0.31 0.14 0.92 4.02 -0.47 -4.41 117.16 112.73 1n27 n TYR 68 Ca -0.06 -0.11 0.01 0.00 -0.01 0.00 0.00 57.90 57.73 1n27 n TYR 68 Cb 0.21 -0.12 0.34 0.00 -0.02 0.00 0.00 39.34 39.74 1n27 n TYR 68 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1n27 h LYS 69 N 0.71 0.15 0.00 -0.72 3.64 -0.94 0.18 116.57 119.59 1n27 h LYS 69 Ca 0.00 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1n27 h LYS 69 Cb 0.58 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1n27 h LYS 69 CO 0.06 0.43 -0.26 0.22 -2.27 0.00 0.00 179.45 177.63 1n27 h ASP 70 N 0.13 0.00 -0.84 4.20 3.58 -1.85 -3.13 116.42 118.51 1n27 h ASP 70 Ca 0.02 -0.24 0.05 0.00 0.42 0.00 0.00 57.03 57.28 1n27 h ASP 70 Cb 0.59 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.59 1n27 h ASP 70 CO 0.04 0.76 0.53 0.50 -2.88 0.00 0.00 179.24 178.20 1n27 h LYS 71 N -1.00 0.97 0.00 0.28 3.64 -1.65 -2.34 116.57 116.47 1n27 h LYS 71 Ca -0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1n27 h LYS 71 Cb 0.45 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1n27 h LYS 71 CO -0.02 0.64 -1.34 1.19 -2.27 0.00 0.00 179.45 177.65 1n27 n PHE 72 N -4.60 0.00 -2.55 1.91 3.72 0.56 -4.79 117.46 111.71 1n27 n PHE 72 Ca 0.11 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.08 1n27 n PHE 72 Cb 0.13 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 1n27 n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n27 n GLY 73 N 1.43 3.94 2.95 1.37 0.00 -0.88 -4.90 105.19 109.09 1n27 n GLY 73 Ca 0.00 -1.95 -0.20 0.00 0.00 0.00 0.00 46.02 43.87 1n27 n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n27 s LYS 74 N 1.53 0.92 -1.09 1.61 -0.14 -1.26 -4.73 119.74 116.58 1n27 s LYS 74 Ca 0.43 -0.21 -0.26 0.00 -1.36 0.00 0.00 55.97 54.57 1n27 s LYS 74 Cb 0.04 -0.87 -0.22 0.00 -1.68 0.00 0.00 37.83 35.11 1n27 s LYS 74 CO 0.00 0.01 2.08 -1.13 -0.76 0.00 0.00 175.35 175.55 1n27 n SER 75 N 3.67 1.60 -4.88 2.83 3.41 -1.26 -4.90 113.62 114.09 1n27 n SER 75 Ca -0.22 -2.52 -0.33 0.00 -0.26 0.00 0.00 58.87 55.53 1n27 n SER 75 Cb 0.53 -1.72 -0.05 0.00 -0.26 0.00 0.00 64.21 62.71 1n27 n SER 75 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1n27 s ASN 76 N 8.20 6.55 -0.42 4.04 2.47 -1.26 -4.98 114.94 129.53 1n27 s ASN 76 Ca 0.79 0.66 -0.02 0.00 0.42 0.00 0.00 52.86 54.72 1n27 s ASN 76 Cb -0.04 -2.12 0.24 0.00 -1.45 0.00 0.00 41.25 37.88 1n27 s ASN 76 CO 0.18 0.14 2.15 1.17 -3.72 0.00 0.00 177.10 177.02 1n27 n LYS 77 N 0.59 2.10 -4.10 0.43 4.81 -1.26 -4.59 118.16 116.14 1n27 n LYS 77 Ca -0.06 -2.07 -0.32 0.00 -0.87 0.00 0.00 58.31 54.98 1n27 n LYS 77 Cb 0.52 -1.85 -0.07 0.00 0.02 0.00 0.00 35.03 33.65 1n27 n LYS 77 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1n27 s ARG 78 N -2.24 2.97 0.71 1.64 1.81 -1.26 -5.10 118.95 117.48 1n27 s ARG 78 Ca 0.43 -0.58 -0.14 0.00 -1.72 0.00 0.00 55.73 53.72 1n27 s ARG 78 Cb 0.32 -2.79 0.03 0.00 -0.45 0.00 0.00 34.95 32.06 1n27 s ARG 78 CO -0.05 0.61 1.15 0.21 -0.68 0.00 0.00 175.30 176.54 1n27 s LYS 79 N -1.97 2.37 0.00 3.54 2.20 -1.26 -2.41 119.74 122.20 1n27 s LYS 79 Ca 0.25 1.53 0.00 0.00 -0.36 0.00 0.00 55.97 57.39 1n27 s LYS 79 Cb -0.12 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.32 1n27 s LYS 79 CO 0.17 -1.61 0.00 0.41 -0.36 0.00 0.00 175.35 173.96 1n27 n GLY 80 N -0.16 2.20 0.06 5.54 0.00 -1.26 -4.85 105.19 106.73 1n27 n GLY 80 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1n27 n GLY 80 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1n27 h PHE 81 N 0.00 0.05 0.00 1.61 3.57 -1.79 -1.69 116.94 118.69 1n27 h PHE 81 Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1n27 h PHE 81 Cb 0.00 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 1n27 h PHE 81 CO 0.00 0.39 -0.09 -0.91 -2.23 0.00 0.00 178.31 175.47 1n27 h ASN 82 N -0.31 0.00 -0.01 0.41 4.21 -1.81 -0.33 115.58 117.74 1n27 h ASN 82 Ca 0.01 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.45 1n27 h ASN 82 Cb 0.38 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 1n27 h ASN 82 CO 0.00 0.09 -0.25 -0.33 -1.29 0.00 0.00 177.43 175.65 1n27 h GLU 83 N 0.00 0.18 0.00 0.81 5.08 -1.84 -2.66 114.58 116.14 1n27 h GLU 83 Ca -0.00 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1n27 h GLU 83 Cb 0.41 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1n27 h GLU 83 CO 0.01 0.91 -0.23 0.78 -1.00 0.00 0.00 179.01 179.49 1n27 h GLY 84 N -0.48 0.00 2.00 -3.84 0.00 -0.92 -1.05 103.07 98.78 1n27 h GLY 84 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 1n27 h GLY 84 CO 0.05 0.00 -0.59 1.41 0.00 0.00 0.00 176.54 177.41 1n27 h LEU 85 N 0.00 0.00 -0.24 3.11 3.38 -1.10 -1.17 115.31 119.29 1n27 h LEU 85 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1n27 h LEU 85 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1n27 h LEU 85 CO 0.03 0.59 -0.36 -0.25 0.09 0.00 0.00 178.44 178.54 1n27 h TRP 86 N 0.00 0.83 0.29 1.13 7.01 -0.98 -3.03 115.95 121.21 1n27 h TRP 86 Ca -0.01 -0.28 0.00 0.00 2.11 0.00 0.00 58.89 60.72 1n27 h TRP 86 Cb 1.07 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.95 1n27 h TRP 86 CO 0.00 1.04 -0.28 0.93 -2.79 0.00 0.00 178.44 177.33 1n27 h GLU 87 N 0.39 -0.58 -0.34 2.65 5.08 -1.08 -1.49 114.58 119.22 1n27 h GLU 87 Ca 0.02 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1n27 h GLU 87 Cb 0.95 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1n27 h GLU 87 CO 0.08 -0.39 0.05 0.97 -1.00 0.00 0.00 179.01 178.73 1n27 h ILE 88 N -0.60 1.17 0.00 3.13 2.10 -1.30 0.71 117.51 122.71 1n27 h ILE 88 Ca -0.01 -0.64 -0.12 0.00 1.08 0.00 0.00 64.86 65.17 1n27 h ILE 88 Cb 0.55 0.86 -0.02 0.00 -1.09 0.00 0.00 36.82 37.12 1n27 h ILE 88 CO -0.05 0.22 -0.57 -0.33 -1.08 0.00 0.00 178.15 176.34 1n27 h GLU 89 N 0.49 0.00 -0.00 2.19 5.08 -1.39 -2.80 114.58 118.14 1n27 h GLU 89 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1n27 h GLU 89 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1n27 h GLU 89 CO 0.00 0.57 -0.16 0.09 -1.00 0.00 0.00 179.01 178.51 1n27 n ASN 90 N -3.86 0.28 -4.35 1.42 3.02 -0.32 -4.65 115.26 106.80 1n27 n ASN 90 Ca -0.01 -0.10 -0.43 0.00 -0.03 0.00 0.00 54.58 54.01 1n27 n ASN 90 Cb 0.57 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1n27 n ASN 90 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1n27 n SER 91 N -1.29 4.78 0.00 6.41 7.64 0.09 -4.74 113.62 126.51 1n27 n SER 91 Ca 0.10 -2.92 0.00 0.00 1.01 0.00 0.00 58.87 57.05 1n27 n SER 91 Cb 0.31 -1.69 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 1n27 n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n27 n GLY 92 N 4.77 -1.36 3.82 0.23 0.00 -1.26 -5.01 105.19 106.38 1n27 n GLY 92 Ca 0.47 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 1n27 n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n27 s PRO 93 N -1.59 3.21 -0.30 1.61 0.04 -1.26 -5.06 135.00 131.64 1n27 s PRO 93 Ca 0.00 1.04 -0.05 0.00 0.04 0.00 0.00 61.00 62.03 1n27 s PRO 93 Cb 0.00 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1n27 s PRO 93 CO 0.00 -0.89 0.06 -1.12 0.04 0.00 0.00 177.00 175.10 1n27 s SER 94 N -3.35 5.06 -0.15 6.66 0.01 -1.26 -5.05 113.70 115.62 1n27 s SER 94 Ca 0.60 -0.93 -0.17 0.00 1.31 0.00 0.00 55.95 56.76 1n27 s SER 94 Cb -0.14 -1.83 0.04 0.00 0.21 0.00 0.00 66.02 64.30 1n27 s SER 94 CO 0.46 -0.24 0.46 -0.44 0.41 0.00 0.00 173.24 173.89 1n27 s SER 95 N 1.42 -0.46 0.00 2.44 0.01 -1.26 -5.30 113.70 110.54 1n27 s SER 95 Ca 0.00 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.09 1n27 s SER 95 Cb -0.18 0.86 0.00 0.00 0.21 0.00 0.00 66.02 66.91 1n27 s SER 95 CO 0.01 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.06