#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 -7.37 0.04 1.61 7.64 -1.26 -5.02 113.62 109.26 1n27 n SER 2 Ca 0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1n27 n SER 2 Cb 0.00 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 58.83 1n27 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1n27 n SER 3 N -4.12 -0.74 0.00 6.43 7.64 -1.26 -5.10 113.62 116.47 1n27 n SER 3 Ca -0.07 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1n27 n SER 3 Cb 0.61 0.94 0.00 0.00 -1.01 0.00 0.00 64.21 64.75 1n27 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n27 n GLY 4 N -1.27 0.02 3.54 0.23 0.00 -1.26 -5.01 105.19 101.43 1n27 n GLY 4 Ca 0.00 0.35 -0.19 0.00 0.00 0.00 0.00 46.02 46.18 1n27 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n27 n SER 5 N 0.00 -2.50 -4.68 1.61 7.64 -1.26 -4.98 113.62 109.45 1n27 n SER 5 Ca 0.00 -0.74 -0.42 0.00 1.01 0.00 0.00 58.87 58.71 1n27 n SER 5 Cb 0.00 -4.58 -0.03 0.00 -1.01 0.00 0.00 64.21 58.60 1n27 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1n27 s SER 6 N -4.17 6.91 0.00 6.43 0.01 -1.26 -4.30 113.70 117.32 1n27 s SER 6 Ca 0.09 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.28 1n27 s SER 6 Cb -0.02 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1n27 s SER 6 CO 0.77 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1n27 n GLY 7 N 3.62 -0.44 1.86 3.44 0.00 -1.26 -5.05 105.19 107.36 1n27 n GLY 7 Ca 0.13 -0.71 -0.00 0.00 0.00 0.00 0.00 46.02 45.44 1n27 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n27 n GLU 8 N 0.38 -0.97 -0.67 1.61 4.71 -1.26 -5.06 120.64 119.37 1n27 n GLU 8 Ca 0.00 1.14 -0.32 0.00 -0.01 0.00 0.00 57.16 57.97 1n27 n GLU 8 Cb 0.00 -2.38 0.17 0.00 -1.01 0.00 0.00 31.44 28.22 1n27 n GLU 8 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1n27 n TYR 9 N 0.08 -1.29 -4.02 -0.32 4.01 -1.26 -5.03 117.16 109.33 1n27 n TYR 9 Ca 0.01 0.13 -0.10 0.00 -0.16 0.00 0.00 57.90 57.78 1n27 n TYR 9 Cb 0.03 -1.66 -0.07 0.00 -0.31 0.00 0.00 39.34 37.32 1n27 n TYR 9 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1n27 s LYS 10 N -3.70 1.33 0.30 -0.72 -2.85 -1.26 -5.14 119.74 107.70 1n27 s LYS 10 Ca 0.59 -1.30 -0.30 0.00 -1.00 0.00 0.00 55.97 53.96 1n27 s LYS 10 Cb -0.17 0.39 -0.12 0.00 -2.06 0.00 0.00 37.83 35.88 1n27 s LYS 10 CO 0.66 -0.51 1.57 0.00 0.10 0.00 0.00 175.35 177.17 1n27 n ALA 11 N -0.30 2.42 -0.40 0.59 0.00 -1.26 -3.57 120.51 117.99 1n27 n ALA 11 Ca -0.03 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1n27 n ALA 11 Cb 0.63 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 1.92 1.31 3.31 0.00 0.00 -0.49 -4.98 105.19 106.25 1n27 n GLY 12 Ca 0.08 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.18 1.25 0.00 1.61 -1.08 -1.23 -4.92 116.67 110.12 1n27 s ASP 13 Ca 0.00 -1.49 0.07 0.00 -0.52 0.00 0.00 52.55 50.60 1n27 s ASP 13 Cb 0.00 0.33 -0.03 0.00 -1.46 0.00 0.00 42.92 41.77 1n27 s ASP 13 CO 0.00 -0.85 -0.21 -0.76 0.52 0.00 0.00 175.17 173.88 1n27 s LEU 14 N -3.33 2.40 0.27 -1.34 1.43 -1.26 -0.50 118.68 116.36 1n27 s LEU 14 Ca 0.37 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.91 1n27 s LEU 14 Cb 0.06 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.85 1n27 s LEU 14 CO 0.16 0.30 0.57 0.68 0.23 0.00 0.00 176.35 178.28 1n27 s VAL 15 N -0.77 0.00 -0.23 -1.59 -7.23 -0.20 -2.44 120.40 107.95 1n27 s VAL 15 Ca 0.12 -1.28 -0.02 0.00 -1.81 0.00 0.00 61.98 58.99 1n27 s VAL 15 Cb -0.10 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.64 1n27 s VAL 15 CO 0.02 0.00 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.37 1n27 s PHE 16 N -3.82 2.99 0.44 2.82 0.08 -0.29 -0.94 117.98 119.26 1n27 s PHE 16 Ca 0.19 -1.39 0.00 0.00 0.12 0.00 0.00 56.93 55.85 1n27 s PHE 16 Cb -0.02 -2.05 -0.01 0.00 -0.57 0.00 0.00 43.02 40.37 1n27 s PHE 16 CO 0.09 -0.69 0.67 0.00 -0.10 0.00 0.00 175.22 175.19 1n27 s ALA 17 N 1.36 3.74 -0.24 5.36 0.00 -0.52 -1.52 121.76 129.94 1n27 s ALA 17 Ca 0.03 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.94 1n27 s ALA 17 Cb -0.15 -2.16 0.12 0.00 0.00 0.00 0.00 23.12 20.93 1n27 s ALA 17 CO -0.06 -0.35 0.29 0.21 0.00 0.00 0.00 175.76 175.85 1n27 s LYS 18 N -4.55 0.28 0.70 0.00 2.47 -1.05 -0.45 119.74 117.14 1n27 s LYS 18 Ca 0.48 0.20 -0.08 0.00 -1.56 0.00 0.00 55.97 55.01 1n27 s LYS 18 Cb -0.10 -0.82 0.05 0.00 -1.46 0.00 0.00 37.83 35.49 1n27 s LYS 18 CO 0.38 -0.77 1.03 -1.64 0.16 0.00 0.00 175.35 174.52 1n27 s MET 19 N 2.41 2.40 -1.19 4.03 -1.94 -1.26 -4.94 119.30 118.81 1n27 s MET 19 Ca 0.09 -0.03 -0.19 0.00 -1.71 0.00 0.00 55.69 53.86 1n27 s MET 19 Cb -0.15 -2.13 0.07 0.00 2.01 0.00 0.00 34.83 34.64 1n27 s MET 19 CO -0.19 -1.16 1.60 0.21 -0.01 0.00 0.00 175.02 175.46 1n27 s LYS 20 N -5.27 3.85 0.00 2.03 2.47 -1.26 -3.48 119.74 118.08 1n27 s LYS 20 Ca 0.59 -1.76 0.00 0.00 -1.56 0.00 0.00 55.97 53.24 1n27 s LYS 20 Cb -0.11 -5.42 0.00 0.00 -1.46 0.00 0.00 37.83 30.84 1n27 s LYS 20 CO 0.47 -2.19 0.00 0.41 0.16 0.00 0.00 175.35 174.20 1n27 n GLY 21 N 5.78 3.29 3.69 5.54 0.00 -1.26 -5.13 105.19 117.10 1n27 n GLY 21 Ca 0.42 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 1.77 0.95 1.61 2.02 -1.23 -5.06 117.35 117.42 1n27 s TYR 22 Ca 0.00 1.75 -0.15 0.00 -0.37 0.00 0.00 57.07 58.29 1n27 s TYR 22 Cb 0.00 -3.33 0.18 0.00 -0.40 0.00 0.00 41.96 38.41 1n27 s TYR 22 CO 0.00 -2.68 1.27 -1.25 -1.57 0.00 0.00 175.55 171.32 1n27 s PRO 23 N -4.58 0.80 -0.63 -1.71 0.04 -1.26 -4.45 135.00 123.21 1n27 s PRO 23 Ca 0.67 -0.25 -0.26 0.00 0.04 0.00 0.00 61.00 61.20 1n27 s PRO 23 Cb -0.23 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 1n27 s PRO 23 CO 0.56 -2.33 2.20 -1.01 0.04 0.00 0.00 177.00 176.46 1n27 s HIS 24 N -3.74 1.33 -0.02 0.56 3.76 -1.26 -4.58 115.29 111.35 1n27 s HIS 24 Ca 0.71 1.32 -0.20 0.00 -0.15 0.00 0.00 55.06 56.74 1n27 s HIS 24 Cb -0.06 -3.75 -0.05 0.00 1.11 0.00 0.00 32.58 29.82 1n27 s HIS 24 CO 0.52 -2.20 0.56 -0.46 -0.85 0.00 0.00 174.74 172.32 1n27 s TRP 25 N 11.56 3.67 0.02 1.40 -0.11 0.41 -4.83 118.94 131.05 1n27 s TRP 25 Ca 0.85 1.15 -0.30 0.00 1.22 0.00 0.00 56.10 59.01 1n27 s TRP 25 Cb -0.14 -2.57 -0.08 0.00 -1.50 0.00 0.00 33.47 29.18 1n27 s TRP 25 CO 0.18 0.36 1.83 -1.25 -4.62 0.00 0.00 176.95 173.45 1n27 s PRO 26 N -0.19 4.16 0.22 5.86 0.04 -1.26 -1.44 135.00 142.39 1n27 s PRO 26 Ca 0.30 2.46 0.01 0.00 0.04 0.00 0.00 61.00 63.80 1n27 s PRO 26 Cb -0.18 -4.00 -0.05 0.00 0.04 0.00 0.00 34.50 30.32 1n27 s PRO 26 CO 0.16 -0.89 0.08 0.00 0.04 0.00 0.00 177.00 176.39 1n27 s ALA 27 N 3.99 1.44 0.08 8.56 0.00 -0.12 -1.98 121.76 133.74 1n27 s ALA 27 Ca 0.82 -1.74 0.08 0.00 0.00 0.00 0.00 51.96 51.12 1n27 s ALA 27 Cb -0.40 1.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1n27 s ALA 27 CO 0.36 -0.47 -0.21 -0.98 0.00 0.00 0.00 175.76 174.47 1n27 s ARG 28 N -4.04 1.23 -0.72 0.00 1.70 -0.50 -1.03 118.95 115.58 1n27 s ARG 28 Ca 0.34 -1.10 -0.27 0.00 -0.47 0.00 0.00 55.73 54.23 1n27 s ARG 28 Cb 0.07 -1.46 0.02 0.00 -0.57 0.00 0.00 34.95 33.01 1n27 s ARG 28 CO 0.10 0.35 1.36 0.42 -1.08 0.00 0.00 175.30 176.46 1n27 s ILE 29 N -1.03 3.67 1.18 4.99 -1.09 0.35 -2.51 121.20 126.76 1n27 s ILE 29 Ca 0.07 0.38 -0.16 0.00 -2.23 0.00 0.00 60.65 58.71 1n27 s ILE 29 Cb -0.10 -4.79 0.28 0.00 -1.58 0.00 0.00 42.46 36.28 1n27 s ILE 29 CO 0.04 -1.73 1.05 -0.62 -1.23 0.00 0.00 174.94 172.44 1n27 s ASP 30 N 4.35 0.99 0.24 3.58 -1.08 -0.52 -1.40 116.67 122.82 1n27 s ASP 30 Ca 0.39 1.07 0.08 0.00 -0.52 0.00 0.00 52.55 53.58 1n27 s ASP 30 Cb -0.09 -1.63 -0.05 0.00 -1.46 0.00 0.00 42.92 39.70 1n27 s ASP 30 CO 0.16 -4.13 -0.14 -1.83 0.52 0.00 0.00 175.17 169.74 1n27 s GLU 31 N -4.94 1.46 -0.29 4.34 -1.05 -1.26 -4.29 118.70 112.67 1n27 s GLU 31 Ca 0.68 -1.68 -0.02 0.00 -0.15 0.00 0.00 54.97 53.81 1n27 s GLU 31 Cb -0.17 -1.28 0.09 0.00 -0.44 0.00 0.00 34.13 32.33 1n27 s GLU 31 CO 0.59 0.19 0.09 -0.51 0.95 0.00 0.00 175.26 176.58 1n27 s LEU 32 N -3.39 1.73 0.25 1.83 1.43 -1.26 -5.11 118.68 114.16 1n27 s LEU 32 Ca 0.26 -1.44 -0.29 0.00 -1.03 0.00 0.00 54.13 51.63 1n27 s LEU 32 Cb -0.01 -0.72 -0.15 0.00 0.03 0.00 0.00 46.19 45.34 1n27 s LEU 32 CO 0.10 -0.40 0.86 -2.65 0.23 0.00 0.00 176.35 174.49 1n27 n PRO 33 N 4.96 0.87 -1.73 1.29 -0.02 -1.26 -4.83 135.00 134.27 1n27 n PRO 33 Ca -0.04 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.32 1n27 n PRO 33 Cb 0.43 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 1n27 n PRO 33 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1n27 s GLU 34 N -1.25 3.23 0.00 -0.52 2.02 -1.26 -0.94 118.70 119.98 1n27 s GLU 34 Ca 0.62 1.86 0.00 0.00 0.02 0.00 0.00 54.97 57.47 1n27 s GLU 34 Cb -0.80 -4.31 0.00 0.00 0.10 0.00 0.00 34.13 29.12 1n27 s GLU 34 CO 0.58 -1.99 0.00 0.41 0.02 0.00 0.00 175.26 174.28 1n27 n GLY 35 N 5.61 1.08 3.79 -1.39 0.00 -1.26 -5.12 105.19 107.90 1n27 n GLY 35 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 1.76 0.50 4.61 0.00 -0.11 -5.04 121.76 121.47 1n27 s ALA 36 Ca 0.00 -0.57 -0.22 0.00 0.00 0.00 0.00 51.96 51.17 1n27 s ALA 36 Cb 0.00 -3.02 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 1n27 s ALA 36 CO 0.00 -2.33 0.95 1.55 0.00 0.00 0.00 175.76 175.93 1n27 n VAL 37 N -3.79 2.83 -4.41 0.00 3.14 -1.26 -4.99 118.33 109.85 1n27 n VAL 37 Ca 0.07 -0.50 -0.22 0.00 -2.96 0.00 0.00 64.34 60.73 1n27 n VAL 37 Cb 0.59 -1.12 -0.10 0.00 -1.06 0.00 0.00 33.84 32.15 1n27 n VAL 37 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1n27 s LYS 38 N -2.27 1.50 0.92 1.45 -2.85 -1.26 -4.88 119.74 112.35 1n27 s LYS 38 Ca 0.68 -1.64 -0.10 0.00 -1.00 0.00 0.00 55.97 53.91 1n27 s LYS 38 Cb -0.50 -1.53 0.15 0.00 -2.06 0.00 0.00 37.83 33.89 1n27 s LYS 38 CO 0.53 0.29 1.12 -2.14 0.10 0.00 0.00 175.35 175.25 1n27 s PRO 39 N -3.34 1.01 0.91 1.78 0.02 -1.26 -5.03 135.00 129.09 1n27 s PRO 39 Ca 0.25 1.37 -0.12 0.00 0.02 0.00 0.00 61.00 62.51 1n27 s PRO 39 Cb -0.04 -1.74 0.14 0.00 0.02 0.00 0.00 34.50 32.87 1n27 s PRO 39 CO 0.11 -2.58 1.11 -1.25 -0.33 0.00 0.00 177.00 174.07 1n27 s PRO 40 N -4.69 1.16 0.09 5.54 0.04 -1.26 -4.92 135.00 130.95 1n27 s PRO 40 Ca 0.66 0.47 -0.34 0.00 0.04 0.00 0.00 61.00 61.83 1n27 s PRO 40 Cb -0.22 -1.83 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 1n27 s PRO 40 CO 0.58 -2.23 1.67 0.00 0.04 0.00 0.00 177.00 177.06 1n27 n ALA 41 N -3.82 1.20 -0.82 8.56 0.00 -1.26 -1.86 120.51 122.51 1n27 n ALA 41 Ca 0.06 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1n27 n ALA 41 Cb 0.58 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1n27 n ALA 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n27 n ASN 42 N 4.38 -0.29 -4.65 0.00 4.13 -1.26 -5.03 115.26 112.53 1n27 n ASN 42 Ca 0.19 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.22 1n27 n ASN 42 Cb 0.29 -0.05 -0.07 0.00 -1.54 0.00 0.00 39.78 38.41 1n27 n ASN 42 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1n27 s LYS 43 N -0.18 2.30 0.11 3.52 1.02 -0.78 -4.34 119.74 121.40 1n27 s LYS 43 Ca 0.00 -1.42 0.08 0.00 0.02 0.00 0.00 55.97 54.65 1n27 s LYS 43 Cb 0.00 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 35.11 1n27 s LYS 43 CO 0.00 0.35 -0.16 0.71 -0.92 0.00 0.00 175.35 175.34 1n27 s TYR 44 N -2.33 2.60 -0.58 3.18 2.02 0.11 -4.68 117.35 117.66 1n27 s TYR 44 Ca 0.32 -0.23 -0.28 0.00 -0.37 0.00 0.00 57.07 56.51 1n27 s TYR 44 Cb -0.06 -1.37 0.02 0.00 -0.40 0.00 0.00 41.96 40.14 1n27 s TYR 44 CO 0.20 0.40 1.32 -1.25 -1.57 0.00 0.00 175.55 174.65 1n27 s PRO 45 N -2.14 3.37 -0.35 -1.71 0.04 -1.26 -2.33 135.00 130.61 1n27 s PRO 45 Ca 0.19 0.32 -0.12 0.00 0.04 0.00 0.00 61.00 61.43 1n27 s PRO 45 Cb -0.11 -4.09 0.01 0.00 0.04 0.00 0.00 34.50 30.35 1n27 s PRO 45 CO 0.11 -1.86 0.22 0.42 0.04 0.00 0.00 177.00 175.92 1n27 s ILE 46 N 5.63 4.86 -0.24 0.56 -1.09 -0.34 -1.44 121.20 129.14 1n27 s ILE 46 Ca 0.47 -0.55 -0.11 0.00 -2.23 0.00 0.00 60.65 58.23 1n27 s ILE 46 Cb -0.09 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.14 1n27 s ILE 46 CO 0.24 -0.11 0.20 0.12 -1.23 0.00 0.00 174.94 174.16 1n27 s PHE 47 N 1.63 3.30 -0.69 3.97 5.36 -1.04 -1.04 117.98 129.47 1n27 s PHE 47 Ca 0.04 0.25 -0.21 0.00 -0.96 0.00 0.00 56.93 56.06 1n27 s PHE 47 Cb -0.18 -2.32 0.09 0.00 -0.34 0.00 0.00 43.02 40.27 1n27 s PHE 47 CO 0.08 0.01 0.92 -0.06 -1.46 0.00 0.00 175.22 174.71 1n27 s PHE 48 N 1.23 2.86 0.53 10.12 0.08 -0.19 -1.41 117.98 131.20 1n27 s PHE 48 Ca 0.09 -0.84 -0.20 0.00 0.12 0.00 0.00 56.93 56.11 1n27 s PHE 48 Cb -0.14 -4.21 -0.09 0.00 -0.57 0.00 0.00 43.02 38.01 1n27 s PHE 48 CO 0.06 -1.52 0.69 1.19 -0.10 0.00 0.00 175.22 175.54 1n27 n PHE 49 N 7.08 -0.08 0.00 0.36 3.72 -0.84 -0.58 117.46 127.12 1n27 n PHE 49 Ca -0.00 0.48 0.00 0.00 -0.05 0.00 0.00 57.45 57.88 1n27 n PHE 49 Cb 0.45 -2.04 0.00 0.00 -0.94 0.00 0.00 39.48 36.96 1n27 n PHE 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n27 n GLY 50 N 1.60 1.72 0.00 1.37 0.00 -1.26 -4.38 105.19 104.23 1n27 n GLY 50 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.78 0.00 -1.35 2.61 -2.24 -0.94 -4.54 114.28 106.05 1n27 n THR 51 Ca 0.00 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1n27 n THR 51 Cb 0.00 0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.51 0.00 -2.16 4.78 -0.00 0.25 -4.99 115.22 111.59 1n27 n HIS 52 Ca -0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.44 1n27 n HIS 52 Cb 0.11 -2.75 0.04 0.00 -0.00 0.00 0.00 29.99 27.40 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 -2.97 2.75 0.10 -0.41 2.02 -1.24 -4.85 118.70 114.09 1n27 s GLU 53 Ca 0.00 0.14 0.07 0.00 0.02 0.00 0.00 54.97 55.20 1n27 s GLU 53 Cb 0.00 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 1n27 s GLU 53 CO 0.00 -0.94 -0.18 0.95 0.02 0.00 0.00 175.26 175.11 1n27 s THR 54 N -3.19 1.46 0.16 3.63 -4.23 -1.26 -1.02 115.64 111.19 1n27 s THR 54 Ca 0.57 -1.49 -0.08 0.00 -1.18 0.00 0.00 61.69 59.51 1n27 s THR 54 Cb -0.11 -1.39 -0.01 0.00 1.34 0.00 0.00 72.50 72.33 1n27 s THR 54 CO 0.48 -0.16 0.25 0.00 -0.54 0.00 0.00 174.62 174.64 1n27 s ALA 55 N -1.32 0.15 -0.35 3.99 0.00 -0.20 -5.01 121.76 119.02 1n27 s ALA 55 Ca 0.04 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 1n27 s ALA 55 Cb -0.09 0.87 0.06 0.00 0.00 0.00 0.00 23.12 23.95 1n27 s ALA 55 CO 0.04 -0.62 0.11 -0.06 0.00 0.00 0.00 175.76 175.23 1n27 s PHE 56 N -3.98 3.33 0.03 0.00 0.08 -1.26 -1.19 117.98 114.99 1n27 s PHE 56 Ca 0.18 -1.77 0.07 0.00 0.12 0.00 0.00 56.93 55.54 1n27 s PHE 56 Cb 0.04 -2.50 -0.02 0.00 -0.57 0.00 0.00 43.02 39.97 1n27 s PHE 56 CO 0.00 -0.82 -0.22 -0.51 -0.10 0.00 0.00 175.22 173.58 1n27 s LEU 57 N 1.31 2.14 0.46 -0.37 1.43 -0.99 -4.88 118.68 117.78 1n27 s LEU 57 Ca -0.00 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.57 1n27 s LEU 57 Cb -0.21 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 1n27 s LEU 57 CO 0.00 0.20 0.70 -0.83 0.23 0.00 0.00 176.35 176.66 1n27 s GLY 58 N -1.04 1.51 0.57 -3.19 0.00 -1.26 -0.71 107.32 103.20 1n27 s GLY 58 Ca 0.08 -0.85 0.36 0.00 0.00 0.00 0.00 44.72 44.31 1n27 s GLY 58 CO 0.01 -0.69 2.08 -0.56 0.00 0.00 0.00 173.10 173.94 1n27 h PRO 59 N 0.35 0.00 -0.78 2.90 0.13 -1.94 -2.09 132.00 130.58 1n27 h PRO 59 Ca -0.47 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.86 1n27 h PRO 59 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1n27 h PRO 59 CO 0.60 0.02 0.54 0.87 -0.23 0.00 0.00 178.00 179.79 1n27 h LYS 60 N 0.00 0.19 -0.52 0.86 1.79 -1.95 -1.72 116.57 115.22 1n27 h LYS 60 Ca -0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1n27 h LYS 60 Cb 0.39 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1n27 h LYS 60 CO 0.00 0.12 0.00 -0.25 -1.08 0.00 0.00 179.45 178.25 1n27 n ASP 61 N -4.40 2.93 -4.15 0.86 8.00 -0.78 -4.97 116.55 114.03 1n27 n ASP 61 Ca 0.16 -1.98 -0.12 0.00 0.71 0.00 0.00 54.79 53.56 1n27 n ASP 61 Cb 0.72 -0.34 -0.10 0.00 -0.02 0.00 0.00 41.12 41.37 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 -1.08 2.45 0.04 0.64 1.43 -0.65 -2.54 118.68 118.97 1n27 s LEU 62 Ca 0.37 -0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 1n27 s LEU 62 Cb 0.20 -0.13 -0.02 0.00 0.03 0.00 0.00 46.19 46.26 1n27 s LEU 62 CO 0.26 -0.38 0.02 -0.36 0.23 0.00 0.00 176.35 176.12 1n27 s PHE 63 N -3.01 0.33 0.20 0.29 0.40 -0.58 -4.97 117.98 110.65 1n27 s PHE 63 Ca 0.07 -0.72 -0.30 0.00 -0.60 0.00 0.00 56.93 55.38 1n27 s PHE 63 Cb 0.01 -0.24 -0.09 0.00 0.51 0.00 0.00 43.02 43.21 1n27 s PHE 63 CO -0.03 -0.34 1.34 -1.25 0.70 0.00 0.00 175.22 175.64 1n27 s PRO 64 N -2.87 4.36 0.06 0.24 0.05 -1.26 -1.14 135.00 134.45 1n27 s PRO 64 Ca -0.03 2.09 -0.21 0.00 0.05 0.00 0.00 61.00 62.90 1n27 s PRO 64 Cb 0.00 -3.19 -0.12 0.00 0.05 0.00 0.00 34.50 31.24 1n27 s PRO 64 CO -0.06 -0.29 1.53 -0.92 0.05 0.00 0.00 177.00 177.31 1n27 h TYR 65 N 5.44 0.23 0.00 0.56 3.20 -1.76 -1.79 116.97 122.86 1n27 h TYR 65 Ca -0.45 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.37 1n27 h TYR 65 Cb 1.21 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 1n27 h TYR 65 CO 0.62 0.40 -0.08 0.87 -1.64 0.00 0.00 178.16 178.32 1n27 h LYS 66 N -0.01 0.00 0.01 1.82 1.57 -1.93 0.45 116.57 118.49 1n27 h LYS 66 Ca 0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1n27 h LYS 66 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1n27 h LYS 66 CO 0.00 0.08 -0.01 0.93 -0.57 0.00 0.00 179.45 179.89 1n27 h GLU 67 N 0.00 -0.02 -0.57 3.15 5.08 -1.95 -3.39 114.58 116.88 1n27 h GLU 67 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n27 h GLU 67 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1n27 h GLU 67 CO 0.01 0.77 0.00 0.66 -1.00 0.00 0.00 179.01 179.45 1n27 n TYR 68 N -4.69 0.76 -0.11 4.33 4.02 -0.67 -4.51 117.16 116.29 1n27 n TYR 68 Ca -0.09 -0.38 -0.05 0.00 -0.01 0.00 0.00 57.90 57.37 1n27 n TYR 68 Cb 0.38 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.72 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 3.80 0.05 0.21 -0.72 3.64 -0.34 0.29 116.57 123.49 1n27 h LYS 69 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1n27 h LYS 69 Cb 0.86 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1n27 h LYS 69 CO 0.00 0.03 -0.10 0.22 -2.27 0.00 0.00 179.45 177.33 1n27 h ASP 70 N 0.05 -0.24 -0.14 4.20 3.58 -1.84 -0.83 116.42 121.20 1n27 h ASP 70 Ca 0.18 -0.22 -0.06 0.00 0.42 0.00 0.00 57.03 57.35 1n27 h ASP 70 Cb 0.27 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 1n27 h ASP 70 CO -0.34 0.11 -0.08 0.50 -2.88 0.00 0.00 179.24 176.55 1n27 h LYS 71 N -0.61 0.45 0.00 0.28 3.64 -1.65 -3.33 116.57 115.34 1n27 h LYS 71 Ca -0.03 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1n27 h LYS 71 Cb 0.45 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1n27 h LYS 71 CO 0.05 0.53 -1.11 1.19 -2.27 0.00 0.00 179.45 177.84 1n27 n PHE 72 N -4.25 0.00 -2.08 1.91 3.72 0.94 -4.85 117.46 112.84 1n27 n PHE 72 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1n27 n PHE 72 Cb 0.28 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 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 2.86 4.46 3.14 1.37 0.00 -0.32 -4.90 105.19 111.80 1n27 n GLY 73 Ca -0.03 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 1n27 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n27 s LYS 74 N 1.92 0.75 -0.68 1.61 0.00 -1.26 -4.75 119.74 117.33 1n27 s LYS 74 Ca 0.44 -1.04 -0.27 0.00 0.00 0.00 0.00 55.97 55.10 1n27 s LYS 74 Cb 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 37.83 37.49 1n27 s LYS 74 CO -0.04 0.07 1.57 -1.54 0.00 0.00 0.00 175.35 175.41 1n27 s SER 75 N -2.20 5.72 0.77 0.03 1.04 -1.26 -4.98 113.70 112.82 1n27 s SER 75 Ca 0.01 -0.07 -0.11 0.00 0.48 0.00 0.00 55.95 56.26 1n27 s SER 75 Cb -0.05 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.59 1n27 s SER 75 CO -0.00 -2.11 1.13 0.21 0.98 0.00 0.00 173.24 173.45 1n27 s ASN 76 N 5.91 4.79 0.00 7.02 3.84 -1.26 -5.01 114.94 130.23 1n27 s ASN 76 Ca 0.51 0.81 0.27 0.00 0.21 0.00 0.00 52.86 54.66 1n27 s ASN 76 Cb -0.10 -1.41 0.84 0.00 -0.55 0.00 0.00 41.25 40.02 1n27 s ASN 76 CO 0.18 -1.72 1.62 1.17 -2.79 0.00 0.00 177.10 175.56 1n27 n LYS 77 N -3.17 0.75 -2.42 0.43 4.81 -1.26 -4.78 118.16 112.51 1n27 n LYS 77 Ca 0.08 -0.41 -0.39 0.00 -0.87 0.00 0.00 58.31 56.72 1n27 n LYS 77 Cb 0.60 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 34.12 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 -2.53 4.41 0.94 1.64 1.81 -1.26 -5.05 118.95 118.90 1n27 s ARG 78 Ca 0.24 1.79 -0.11 0.00 -1.72 0.00 0.00 55.73 55.93 1n27 s ARG 78 Cb 0.19 -2.95 0.15 0.00 -0.45 0.00 0.00 34.95 31.89 1n27 s ARG 78 CO 0.52 0.01 1.09 0.15 -0.68 0.00 0.00 175.30 176.39 1n27 s LYS 79 N -1.84 0.91 0.00 3.54 3.01 -1.26 -3.33 119.74 120.76 1n27 s LYS 79 Ca 0.50 1.01 0.00 0.00 -1.01 0.00 0.00 55.97 56.47 1n27 s LYS 79 Cb -0.30 -1.75 0.00 0.00 -1.01 0.00 0.00 37.83 34.76 1n27 s LYS 79 CO 0.39 -2.53 0.00 0.41 0.51 0.00 0.00 175.35 174.12 1n27 n GLY 80 N -0.52 0.79 0.34 -3.33 0.00 -1.26 -4.70 105.19 96.52 1n27 n GLY 80 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 1.00 -0.11 1.61 3.04 -1.84 0.94 116.94 121.58 1n27 h PHE 81 Ca 0.00 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1n27 h PHE 81 Cb 0.00 -0.33 -0.00 0.00 2.56 0.00 0.00 35.95 38.18 1n27 h PHE 81 CO 0.00 0.68 0.05 -0.91 -2.02 0.00 0.00 178.31 176.11 1n27 h ASN 82 N 1.04 0.14 -0.42 0.41 2.35 -1.84 -0.44 115.58 116.81 1n27 h ASN 82 Ca 0.27 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 1n27 h ASN 82 Cb -0.01 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1n27 h ASN 82 CO -0.05 0.22 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.50 1n27 h GLU 83 N 0.05 0.89 -0.06 0.81 5.08 -1.79 -2.20 114.58 117.36 1n27 h GLU 83 Ca 0.04 -0.32 -0.15 0.00 -1.00 0.00 0.00 59.36 57.92 1n27 h GLU 83 Cb 0.12 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1n27 h GLU 83 CO -0.00 0.96 -0.64 0.78 -1.00 0.00 0.00 179.01 179.11 1n27 h GLY 84 N 0.96 0.27 1.45 -3.84 0.00 -0.77 -1.53 103.07 99.61 1n27 h GLY 84 Ca 0.13 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 1n27 h GLY 84 CO 0.05 0.31 -0.15 1.41 0.00 0.00 0.00 176.54 178.16 1n27 h LEU 85 N 0.18 0.64 -0.36 3.11 3.38 -0.81 -0.86 115.31 120.59 1n27 h LEU 85 Ca -0.01 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1n27 h LEU 85 Cb 1.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1n27 h LEU 85 CO 0.10 0.81 -0.01 -0.25 0.09 0.00 0.00 178.44 179.18 1n27 h TRP 86 N 0.59 0.70 0.52 1.13 7.01 -1.17 -3.13 115.95 121.60 1n27 h TRP 86 Ca 0.10 -0.12 -0.03 0.00 2.11 0.00 0.00 58.89 60.95 1n27 h TRP 86 Cb 0.59 -0.18 0.01 0.00 -2.10 0.00 0.00 29.16 27.47 1n27 h TRP 86 CO 0.03 0.75 -0.25 0.93 -2.79 0.00 0.00 178.44 177.10 1n27 h GLU 87 N 0.46 -0.68 0.00 2.65 5.08 -1.10 -2.00 114.58 118.99 1n27 h GLU 87 Ca 0.10 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1n27 h GLU 87 Cb 0.47 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1n27 h GLU 87 CO 0.02 -0.43 -0.09 0.97 -1.00 0.00 0.00 179.01 178.48 1n27 h ILE 88 N -0.75 0.90 0.77 3.13 2.10 -1.24 -0.90 117.51 121.52 1n27 h ILE 88 Ca -0.07 -0.31 -0.04 0.00 1.08 0.00 0.00 64.86 65.52 1n27 h ILE 88 Cb 0.56 1.18 0.01 0.00 -1.09 0.00 0.00 36.82 37.48 1n27 h ILE 88 CO 0.12 0.08 -0.37 -0.33 -1.08 0.00 0.00 178.15 176.58 1n27 h GLU 89 N 0.00 -0.99 -1.94 2.19 5.08 -1.48 -3.30 114.58 114.13 1n27 h GLU 89 Ca -0.00 0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1n27 h GLU 89 Cb 0.17 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1n27 h GLU 89 CO 0.01 -0.66 -0.03 0.09 -1.00 0.00 0.00 179.01 177.42 1n27 n ASN 90 N -5.44 5.51 0.00 1.42 3.02 -0.40 -2.92 115.26 116.46 1n27 n ASN 90 Ca -0.13 -2.55 0.00 0.00 -0.03 0.00 0.00 54.58 51.87 1n27 n ASN 90 Cb 0.41 -1.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 1n27 n ASN 90 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1n27 n SER 91 N 1.60 2.72 -0.37 6.41 2.88 -0.87 -4.92 113.62 121.08 1n27 n SER 91 Ca 0.18 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1n27 n SER 91 Cb 0.62 0.59 0.00 0.00 -0.75 0.00 0.00 64.21 64.67 1n27 n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n27 n GLY 92 N 1.40 7.07 3.75 0.46 0.00 -1.15 -5.10 105.19 111.62 1n27 n GLY 92 Ca 0.00 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 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 0.44 4.41 0.11 1.61 0.04 -1.26 -5.04 135.00 135.30 1n27 s PRO 93 Ca 0.00 2.08 -0.15 0.00 0.04 0.00 0.00 61.00 62.97 1n27 s PRO 93 Cb 0.00 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.42 1n27 s PRO 93 CO 0.00 -0.16 0.37 0.45 0.04 0.00 0.00 177.00 177.70 1n27 s SER 94 N -0.13 -0.19 0.00 6.66 0.15 -1.26 -5.02 113.70 113.91 1n27 s SER 94 Ca 0.52 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1n27 s SER 94 Cb -0.37 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1n27 s SER 94 CO 0.44 -0.80 0.00 -1.20 1.20 0.00 0.00 173.24 172.88 1n27 n SER 95 N -0.07 0.00 0.00 5.45 7.64 -1.26 -5.18 113.62 120.20 1n27 n SER 95 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1n27 n SER 95 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1n27 n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64