#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 -0.64 -4.91 1.61 7.64 -1.26 -4.94 113.62 111.12 1n27 n SER 2 Ca 0.00 -1.11 -0.33 0.00 1.01 0.00 0.00 58.87 58.44 1n27 n SER 2 Cb 0.00 -1.40 -0.05 0.00 -1.01 0.00 0.00 64.21 61.75 1n27 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1n27 s SER 3 N -3.47 6.38 0.90 6.43 0.01 -1.26 -4.99 113.70 117.70 1n27 s SER 3 Ca 0.45 0.35 0.00 0.00 1.31 0.00 0.00 55.95 58.06 1n27 s SER 3 Cb -0.26 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1n27 s SER 3 CO 0.90 0.25 0.00 0.61 0.41 0.00 0.00 173.24 175.41 1n27 n GLY 4 N 0.89 0.96 2.48 3.44 0.00 -1.26 -4.60 105.19 107.10 1n27 n GLY 4 Ca -0.10 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 1n27 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n27 n SER 5 N -2.47 -1.25 -4.57 1.61 3.41 -1.26 -5.14 113.62 103.95 1n27 n SER 5 Ca 0.00 -2.55 -0.28 0.00 -0.26 0.00 0.00 58.87 55.78 1n27 n SER 5 Cb 0.00 0.07 0.22 0.00 -0.26 0.00 0.00 64.21 64.24 1n27 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1n27 s SER 6 N 0.15 1.65 0.00 4.04 0.01 -1.26 -5.08 113.70 113.20 1n27 s SER 6 Ca 0.32 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.90 1n27 s SER 6 Cb 0.04 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1n27 s SER 6 CO -0.16 -3.76 0.00 0.61 0.41 0.00 0.00 173.24 170.34 1n27 n GLY 7 N -0.11 3.94 2.76 3.44 0.00 -1.26 -5.12 105.19 108.83 1n27 n GLY 7 Ca 0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 -3.41 -1.28 1.61 1.02 -1.26 -5.00 120.64 112.32 1n27 n GLU 8 Ca 0.00 2.72 -0.32 0.00 -0.02 0.00 0.00 57.16 59.54 1n27 n GLU 8 Cb 0.00 -4.41 0.10 0.00 -0.02 0.00 0.00 31.44 27.11 1n27 n GLU 8 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1n27 s TYR 9 N -1.05 2.38 0.18 -0.32 1.51 -1.26 -5.09 117.35 113.71 1n27 s TYR 9 Ca -0.11 1.60 -0.04 0.00 -1.01 0.00 0.00 57.07 57.50 1n27 s TYR 9 Cb 0.01 -3.15 -0.03 0.00 -0.11 0.00 0.00 41.96 38.68 1n27 s TYR 9 CO 0.64 -2.01 0.20 0.15 -1.11 0.00 0.00 175.55 173.42 1n27 s LYS 10 N -4.62 1.18 0.09 -0.62 1.02 -1.26 -5.04 119.74 110.49 1n27 s LYS 10 Ca 0.64 -1.44 -0.34 0.00 0.02 0.00 0.00 55.97 54.86 1n27 s LYS 10 Cb -0.20 0.32 -0.13 0.00 -0.52 0.00 0.00 37.83 37.30 1n27 s LYS 10 CO 0.53 -0.41 1.70 0.00 -0.92 0.00 0.00 175.35 176.25 1n27 n ALA 11 N -0.23 1.39 0.00 5.17 0.00 -1.26 -2.67 120.51 122.90 1n27 n ALA 11 Ca -0.02 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1n27 n ALA 11 Cb 0.64 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 3.82 1.70 3.36 0.00 0.00 -1.14 -5.04 105.19 107.90 1n27 n GLY 12 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 1.75 0.09 1.61 -1.08 -1.09 -5.04 116.67 110.90 1n27 s ASP 13 Ca 0.00 -1.34 0.09 0.00 -0.52 0.00 0.00 52.55 50.78 1n27 s ASP 13 Cb 0.00 0.04 -0.03 0.00 -1.46 0.00 0.00 42.92 41.47 1n27 s ASP 13 CO 0.00 -0.63 -0.23 -0.76 0.52 0.00 0.00 175.17 174.07 1n27 s LEU 14 N -3.37 2.25 0.26 -1.34 1.43 -1.26 -1.68 118.68 114.96 1n27 s LEU 14 Ca 0.35 -0.65 -0.09 0.00 -1.03 0.00 0.00 54.13 52.71 1n27 s LEU 14 Cb 0.08 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 1n27 s LEU 14 CO 0.13 0.14 0.42 0.68 0.23 0.00 0.00 176.35 177.95 1n27 s VAL 15 N -0.99 0.00 0.08 -1.59 -7.23 -0.43 -1.67 120.40 108.57 1n27 s VAL 15 Ca 0.09 -1.55 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 1n27 s VAL 15 Cb -0.10 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 1n27 s VAL 15 CO 0.04 0.00 0.03 -0.36 -0.31 0.00 0.00 175.10 174.50 1n27 s PHE 16 N -3.86 3.08 0.04 2.82 0.40 0.19 -1.48 117.98 119.16 1n27 s PHE 16 Ca 0.27 0.03 0.07 0.00 -0.60 0.00 0.00 56.93 56.69 1n27 s PHE 16 Cb 0.01 -1.58 -0.02 0.00 0.51 0.00 0.00 43.02 41.93 1n27 s PHE 16 CO 0.11 0.50 -0.20 0.00 0.70 0.00 0.00 175.22 176.33 1n27 s ALA 17 N -1.32 1.69 -0.26 5.36 0.00 -0.30 -1.43 121.76 125.50 1n27 s ALA 17 Ca 0.27 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1n27 s ALA 17 Cb -0.12 -0.33 0.08 0.00 0.00 0.00 0.00 23.12 22.74 1n27 s ALA 17 CO 0.19 0.38 0.02 0.21 0.00 0.00 0.00 175.76 176.56 1n27 s LYS 18 N -1.10 1.15 0.63 0.00 2.47 -0.98 -0.74 119.74 121.17 1n27 s LYS 18 Ca 0.07 -1.02 -0.02 0.00 -1.56 0.00 0.00 55.97 53.44 1n27 s LYS 18 Cb -0.09 -2.40 0.05 0.00 -1.46 0.00 0.00 37.83 33.94 1n27 s LYS 18 CO 0.01 -0.76 0.89 -1.64 0.16 0.00 0.00 175.35 174.01 1n27 s MET 19 N 1.49 2.31 0.36 4.03 -1.94 -1.26 -4.93 119.30 119.36 1n27 s MET 19 Ca 0.02 -0.62 -0.28 0.00 -1.71 0.00 0.00 55.69 53.09 1n27 s MET 19 Cb -0.18 -2.35 -0.11 0.00 2.01 0.00 0.00 34.83 34.20 1n27 s MET 19 CO -0.12 -0.99 1.53 0.15 -0.01 0.00 0.00 175.02 175.57 1n27 s LYS 20 N -4.98 4.09 0.00 2.03 1.02 -1.26 -3.30 119.74 117.34 1n27 s LYS 20 Ca 0.59 2.60 0.00 0.00 0.02 0.00 0.00 55.97 59.19 1n27 s LYS 20 Cb -0.10 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 1n27 s LYS 20 CO 0.41 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 1n27 n GLY 21 N 0.83 1.01 3.80 -3.33 0.00 -1.26 -4.94 105.19 101.30 1n27 n GLY 21 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 2.91 0.85 1.61 2.02 -1.21 -5.09 117.35 118.45 1n27 s TYR 22 Ca 0.00 1.42 -0.14 0.00 -0.37 0.00 0.00 57.07 57.98 1n27 s TYR 22 Cb 0.00 -2.96 0.20 0.00 -0.40 0.00 0.00 41.96 38.80 1n27 s TYR 22 CO 0.00 -1.48 0.95 -0.35 -1.57 0.00 0.00 175.55 173.09 1n27 n PRO 23 N -3.30 -1.77 -2.15 -1.71 -0.04 -1.26 -4.63 135.00 120.15 1n27 n PRO 23 Ca 0.08 -1.49 -0.30 0.00 -0.04 0.00 0.00 63.50 61.75 1n27 n PRO 23 Cb 0.54 -1.16 -0.05 0.00 -0.04 0.00 0.00 33.50 32.79 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 -2.93 1.94 0.29 0.54 3.76 -1.26 -4.45 115.29 113.18 1n27 s HIS 24 Ca 0.57 0.35 -0.28 0.00 -0.15 0.00 0.00 55.06 55.55 1n27 s HIS 24 Cb -0.03 -4.18 -0.09 0.00 1.11 0.00 0.00 32.58 29.39 1n27 s HIS 24 CO 0.42 -1.80 1.00 -0.46 -0.85 0.00 0.00 174.74 173.04 1n27 s TRP 25 N 9.04 3.71 0.09 1.40 -0.11 0.08 -4.75 118.94 128.41 1n27 s TRP 25 Ca 0.65 1.79 -0.31 0.00 1.22 0.00 0.00 56.10 59.45 1n27 s TRP 25 Cb -0.06 -3.07 -0.08 0.00 -1.50 0.00 0.00 33.47 28.76 1n27 s TRP 25 CO -0.02 -0.03 1.51 -1.25 -4.62 0.00 0.00 176.95 172.55 1n27 s PRO 26 N -1.62 4.25 0.16 5.86 0.04 -1.26 -1.15 135.00 141.28 1n27 s PRO 26 Ca 0.46 2.20 -0.06 0.00 0.04 0.00 0.00 61.00 63.63 1n27 s PRO 26 Cb -0.26 -3.40 -0.02 0.00 0.04 0.00 0.00 34.50 30.87 1n27 s PRO 26 CO 0.32 -0.59 0.22 0.00 0.04 0.00 0.00 177.00 176.99 1n27 s ALA 27 N 1.83 0.32 0.23 8.56 0.00 -0.55 -2.96 121.76 129.19 1n27 s ALA 27 Ca 0.68 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 51.59 1n27 s ALA 27 Cb -0.38 0.93 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 1n27 s ALA 27 CO 0.30 -0.61 -0.08 -0.98 0.00 0.00 0.00 175.76 174.39 1n27 s ARG 28 N -4.01 1.37 -0.56 0.00 1.70 -0.40 -1.31 118.95 115.74 1n27 s ARG 28 Ca 0.21 -1.66 -0.19 0.00 -0.47 0.00 0.00 55.73 53.63 1n27 s ARG 28 Cb 0.04 -0.95 0.09 0.00 -0.57 0.00 0.00 34.95 33.57 1n27 s ARG 28 CO 0.02 0.05 0.66 0.42 -1.08 0.00 0.00 175.30 175.38 1n27 s ILE 29 N -3.14 4.86 0.64 4.99 -1.09 -0.68 -3.04 121.20 123.74 1n27 s ILE 29 Ca 0.25 -0.85 -0.08 0.00 -2.23 0.00 0.00 60.65 57.75 1n27 s ILE 29 Cb 0.03 -4.41 0.14 0.00 -1.58 0.00 0.00 42.46 36.63 1n27 s ILE 29 CO 0.08 -1.00 0.88 -0.67 -1.23 0.00 0.00 174.94 172.99 1n27 n ASP 30 N 6.22 0.42 -4.25 3.58 -0.08 -1.19 -2.86 116.55 118.38 1n27 n ASP 30 Ca -0.09 -1.53 -0.28 0.00 -1.51 0.00 0.00 54.79 51.38 1n27 n ASP 30 Cb 0.43 -0.64 -0.16 0.00 2.34 0.00 0.00 41.12 43.10 1n27 n ASP 30 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1n27 s GLU 31 N -4.83 1.78 -0.21 -0.67 2.12 -1.26 -4.31 118.70 111.32 1n27 s GLU 31 Ca 0.52 -0.82 -0.29 0.00 0.36 0.00 0.00 54.97 54.74 1n27 s GLU 31 Cb -0.02 -1.75 -0.00 0.00 0.26 0.00 0.00 34.13 32.62 1n27 s GLU 31 CO 0.36 0.48 1.21 -0.51 -0.54 0.00 0.00 175.26 176.25 1n27 s LEU 32 N -0.60 4.10 0.60 2.70 1.43 -1.26 -5.02 118.68 120.63 1n27 s LEU 32 Ca 0.09 1.51 -0.13 0.00 -1.03 0.00 0.00 54.13 54.57 1n27 s LEU 32 Cb -0.09 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 1n27 s LEU 32 CO -0.01 -0.80 1.02 -2.16 0.23 0.00 0.00 176.35 174.64 1n27 s PRO 33 N 3.55 3.62 -0.50 1.29 0.04 -1.26 -4.95 135.00 136.78 1n27 s PRO 33 Ca 0.52 0.86 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 1n27 s PRO 33 Cb -0.19 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 1n27 s PRO 33 CO 0.14 -0.55 2.39 -0.85 0.04 0.00 0.00 177.00 178.16 1n27 n GLU 34 N -2.41 1.02 0.00 4.56 0.28 -1.26 -2.00 120.64 120.83 1n27 n GLU 34 Ca 0.06 0.14 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 1n27 n GLU 34 Cb 0.54 -2.88 0.00 0.00 1.43 0.00 0.00 31.44 30.53 1n27 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1n27 n GLY 35 N 6.18 0.89 0.00 -1.84 0.00 -1.26 -5.10 105.19 104.06 1n27 n GLY 35 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1n27 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n27 n ALA 36 N -1.97 0.00 -0.93 4.61 0.00 -0.85 -5.04 120.51 116.33 1n27 n ALA 36 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1n27 n ALA 36 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 1n27 n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n27 s VAL 37 N -0.88 2.51 -0.43 0.00 1.01 -1.26 -5.04 120.40 116.32 1n27 s VAL 37 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 1n27 s VAL 37 Cb 0.00 -2.42 0.12 0.00 0.00 0.00 0.00 36.38 34.08 1n27 s VAL 37 CO 0.00 -0.22 0.20 -1.59 0.00 0.00 0.00 175.10 173.49 1n27 s LYS 38 N -4.75 1.92 0.79 2.72 -2.85 -1.26 -5.00 119.74 111.31 1n27 s LYS 38 Ca 0.65 -2.01 -0.11 0.00 -1.00 0.00 0.00 55.97 53.49 1n27 s LYS 38 Cb -0.21 -3.47 0.07 0.00 -2.06 0.00 0.00 37.83 32.16 1n27 s LYS 38 CO 0.58 -1.05 1.09 -1.25 0.10 0.00 0.00 175.35 174.82 1n27 s PRO 39 N 0.77 2.12 0.73 1.78 0.04 -1.26 -5.05 135.00 134.14 1n27 s PRO 39 Ca 0.11 0.80 -0.13 0.00 0.04 0.00 0.00 61.00 61.82 1n27 s PRO 39 Cb -0.22 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.45 1n27 s PRO 39 CO -0.05 -1.64 1.12 -1.25 0.04 0.00 0.00 177.00 175.23 1n27 s PRO 40 N -5.06 2.32 -0.03 0.56 0.04 -1.26 -4.89 135.00 126.68 1n27 s PRO 40 Ca 0.61 1.40 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1n27 s PRO 40 Cb -0.15 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.55 1n27 s PRO 40 CO 0.55 -1.63 0.94 0.00 0.04 0.00 0.00 177.00 176.91 1n27 n ALA 41 N -3.01 2.69 -2.02 8.56 0.00 -1.26 -2.92 120.51 122.55 1n27 n ALA 41 Ca 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.35 1n27 n ALA 41 Cb 0.52 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 1n27 n ALA 41 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1n27 n ASN 42 N 0.29 -0.05 -4.01 0.00 0.23 -1.26 -5.10 115.26 105.36 1n27 n ASN 42 Ca 0.04 -1.40 -0.13 0.00 -0.53 0.00 0.00 54.58 52.55 1n27 n ASN 42 Cb 0.52 -0.04 -0.09 0.00 -2.08 0.00 0.00 39.78 38.09 1n27 n ASN 42 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1n27 s LYS 43 N 0.00 1.35 0.08 -3.83 1.02 -1.15 -4.35 119.74 112.87 1n27 s LYS 43 Ca 0.01 -1.65 0.04 0.00 0.02 0.00 0.00 55.97 54.40 1n27 s LYS 43 Cb 0.02 0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 37.60 1n27 s LYS 43 CO -0.01 -0.47 -0.12 0.71 -0.92 0.00 0.00 175.35 174.54 1n27 s TYR 44 N -3.99 1.14 -0.97 3.18 2.02 0.16 -4.93 117.35 113.95 1n27 s TYR 44 Ca 0.37 -0.54 -0.24 0.00 -0.37 0.00 0.00 57.07 56.30 1n27 s TYR 44 Cb 0.05 -0.63 0.04 0.00 -0.40 0.00 0.00 41.96 41.02 1n27 s TYR 44 CO 0.14 0.04 1.47 -1.25 -1.57 0.00 0.00 175.55 174.38 1n27 s PRO 45 N -2.19 3.45 -0.44 -1.71 0.04 -1.26 -2.63 135.00 130.27 1n27 s PRO 45 Ca 0.01 -0.93 -0.23 0.00 0.04 0.00 0.00 61.00 59.89 1n27 s PRO 45 Cb -0.07 -5.18 0.02 0.00 0.04 0.00 0.00 34.50 29.31 1n27 s PRO 45 CO 0.02 -2.29 0.75 0.42 0.04 0.00 0.00 177.00 175.93 1n27 s ILE 46 N 5.49 4.69 -0.05 0.56 -1.09 0.15 -3.20 121.20 127.75 1n27 s ILE 46 Ca 0.47 0.38 -0.21 0.00 -2.23 0.00 0.00 60.65 59.05 1n27 s ILE 46 Cb -0.02 -4.29 -0.05 0.00 -1.58 0.00 0.00 42.46 36.53 1n27 s ILE 46 CO -0.06 -0.68 0.60 0.12 -1.23 0.00 0.00 174.94 173.69 1n27 s PHE 47 N 3.17 3.61 -0.66 3.97 5.36 -1.17 -1.31 117.98 130.95 1n27 s PHE 47 Ca 0.28 1.14 -0.12 0.00 -0.96 0.00 0.00 56.93 57.27 1n27 s PHE 47 Cb -0.13 -2.66 0.17 0.00 -0.34 0.00 0.00 43.02 40.07 1n27 s PHE 47 CO 0.22 0.22 0.57 -0.06 -1.46 0.00 0.00 175.22 174.71 1n27 s PHE 48 N 0.32 3.52 0.49 10.12 0.40 -0.14 -1.28 117.98 131.42 1n27 s PHE 48 Ca 0.32 -1.90 -0.20 0.00 -0.60 0.00 0.00 56.93 54.55 1n27 s PHE 48 Cb -0.17 -3.67 -0.11 0.00 0.51 0.00 0.00 43.02 39.58 1n27 s PHE 48 CO 0.16 -0.98 0.52 1.19 0.70 0.00 0.00 175.22 176.81 1n27 n PHE 49 N 4.41 -0.64 0.00 0.36 3.72 -1.16 -0.36 117.46 123.78 1n27 n PHE 49 Ca 0.02 0.52 0.00 0.00 -0.05 0.00 0.00 57.45 57.93 1n27 n PHE 49 Cb 0.43 -1.97 0.00 0.00 -0.94 0.00 0.00 39.48 37.00 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 1.80 0.71 0.12 1.37 0.00 -1.26 -4.02 105.19 103.91 1n27 n GLY 50 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.20 1n27 n GLY 50 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1n27 h THR 51 N 0.00 0.28 -0.20 2.61 1.35 -1.72 -3.45 112.91 111.78 1n27 h THR 51 Ca 0.00 -1.50 -0.08 0.00 -0.55 0.00 0.00 66.41 64.28 1n27 h THR 51 Cb 0.00 1.86 -0.03 0.00 -1.73 0.00 0.00 68.15 68.25 1n27 h THR 51 CO 0.00 0.16 -0.07 1.41 -0.25 0.00 0.00 175.52 176.77 1n27 n HIS 52 N -2.87 -0.01 -1.48 4.73 -0.00 0.51 -4.99 115.22 111.12 1n27 n HIS 52 Ca -0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.41 1n27 n HIS 52 Cb 0.67 -2.18 0.14 0.00 -0.00 0.00 0.00 29.99 28.62 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 -2.22 1.08 0.27 -0.41 2.02 -1.25 -4.81 118.70 113.38 1n27 s GLU 53 Ca 0.00 0.35 0.05 0.00 0.02 0.00 0.00 54.97 55.39 1n27 s GLU 53 Cb 0.00 -1.83 -0.06 0.00 0.10 0.00 0.00 34.13 32.35 1n27 s GLU 53 CO 0.00 -2.25 -0.02 0.95 0.02 0.00 0.00 175.26 173.96 1n27 s THR 54 N -3.22 1.35 0.21 3.63 -4.23 -1.26 -0.97 115.64 111.15 1n27 s THR 54 Ca 0.64 -2.07 -0.17 0.00 -1.18 0.00 0.00 61.69 58.91 1n27 s THR 54 Cb -0.15 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.22 1n27 s THR 54 CO 0.54 -0.25 0.53 0.00 -0.54 0.00 0.00 174.62 174.91 1n27 s ALA 55 N -3.20 -0.84 -0.32 3.99 0.00 -0.43 -4.97 121.76 115.99 1n27 s ALA 55 Ca 0.31 -0.35 -0.09 0.00 0.00 0.00 0.00 51.96 51.83 1n27 s ALA 55 Cb 0.05 0.89 0.01 0.00 0.00 0.00 0.00 23.12 24.07 1n27 s ALA 55 CO 0.12 -0.84 0.13 -0.06 0.00 0.00 0.00 175.76 175.11 1n27 s PHE 56 N -3.90 3.18 0.07 0.00 0.08 -1.26 -0.67 117.98 115.47 1n27 s PHE 56 Ca 0.12 -0.81 0.05 0.00 0.12 0.00 0.00 56.93 56.41 1n27 s PHE 56 Cb -0.01 -2.33 -0.03 0.00 -0.57 0.00 0.00 43.02 40.08 1n27 s PHE 56 CO 0.00 -0.54 -0.14 -0.51 -0.10 0.00 0.00 175.22 173.94 1n27 s LEU 57 N 1.56 2.29 0.47 -0.37 1.43 -1.08 -4.90 118.68 118.07 1n27 s LEU 57 Ca 0.03 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.55 1n27 s LEU 57 Cb -0.17 -0.48 0.02 0.00 0.03 0.00 0.00 46.19 45.58 1n27 s LEU 57 CO 0.05 -0.10 0.66 -0.83 0.23 0.00 0.00 176.35 176.36 1n27 s GLY 58 N -1.80 1.85 0.04 -3.19 0.00 -1.26 -0.67 107.32 102.29 1n27 s GLY 58 Ca -0.02 -1.47 0.12 0.00 0.00 0.00 0.00 44.72 43.35 1n27 s GLY 58 CO 0.02 -1.26 1.38 -1.55 0.00 0.00 0.00 173.10 171.69 1n27 n PRO 59 N -2.06 0.02 0.00 2.90 -0.04 -1.26 -1.62 135.00 132.95 1n27 n PRO 59 Ca 0.07 0.34 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 1n27 n PRO 59 Cb 0.59 -1.55 0.64 0.00 -0.04 0.00 0.00 33.50 33.14 1n27 n PRO 59 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1n27 n LYS 60 N -1.60 0.36 -0.02 0.54 2.85 -1.26 -3.36 118.16 115.67 1n27 n LYS 60 Ca 0.02 0.05 0.02 0.00 -1.05 0.00 0.00 58.31 57.35 1n27 n LYS 60 Cb 0.13 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.03 1n27 n LYS 60 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1n27 n ASP 61 N -1.28 1.85 -4.21 -5.58 8.00 -0.64 -5.08 116.55 109.61 1n27 n ASP 61 Ca 0.12 -2.11 -0.12 0.00 0.71 0.00 0.00 54.79 53.39 1n27 n ASP 61 Cb 0.20 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.23 2.30 0.01 0.64 1.43 -1.22 -2.32 118.68 118.29 1n27 s LEU 62 Ca 0.06 -1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 52.06 1n27 s LEU 62 Cb 0.05 -0.07 -0.01 0.00 0.03 0.00 0.00 46.19 46.19 1n27 s LEU 62 CO 0.01 -0.51 -0.01 -0.36 0.23 0.00 0.00 176.35 175.70 1n27 s PHE 63 N -3.63 0.20 0.44 0.29 0.08 -0.51 -4.94 117.98 109.90 1n27 s PHE 63 Ca 0.18 -0.40 -0.25 0.00 0.12 0.00 0.00 56.93 56.58 1n27 s PHE 63 Cb 0.06 -0.15 -0.08 0.00 -0.57 0.00 0.00 43.02 42.28 1n27 s PHE 63 CO -0.00 -0.16 1.40 -2.14 -0.10 0.00 0.00 175.22 174.22 1n27 s PRO 64 N -1.19 3.74 0.00 0.24 0.02 -1.26 -0.64 135.00 135.92 1n27 s PRO 64 Ca -0.13 2.36 -0.24 0.00 0.02 0.00 0.00 61.00 63.00 1n27 s PRO 64 Cb -0.08 -2.67 -0.15 0.00 0.02 0.00 0.00 34.50 31.61 1n27 s PRO 64 CO -0.01 -0.75 1.14 -0.92 -0.33 0.00 0.00 177.00 176.13 1n27 h TYR 65 N 2.39 -0.48 0.00 6.54 3.20 -1.61 -2.92 116.97 124.09 1n27 h TYR 65 Ca -0.51 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.35 1n27 h TYR 65 Cb 1.26 0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.69 1n27 h TYR 65 CO 0.51 -0.15 0.00 1.63 -1.64 0.00 0.00 178.16 178.50 1n27 n LYS 66 N -5.17 0.03 0.00 1.82 4.76 -1.26 -0.20 118.16 118.14 1n27 n LYS 66 Ca -0.10 0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1n27 n LYS 66 Cb 0.28 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1n27 n LYS 66 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1n27 n GLU 67 N -1.47 0.00 0.00 1.97 -0.58 -1.24 -4.59 120.64 114.73 1n27 n GLU 67 Ca 0.04 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1n27 n GLU 67 Cb 0.16 -0.79 0.00 0.00 -0.57 0.00 0.00 31.44 30.23 1n27 n GLU 67 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1n27 n TYR 68 N -0.84 0.00 -0.07 -0.32 4.02 -0.29 -4.16 117.16 115.49 1n27 n TYR 68 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.92 1n27 n TYR 68 Cb 0.00 -0.00 0.36 0.00 -0.02 0.00 0.00 39.34 39.68 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 0.01 0.70 0.09 -0.72 3.64 -0.83 0.13 116.57 119.59 1n27 h LYS 69 Ca 0.00 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.12 1n27 h LYS 69 Cb 0.01 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1n27 h LYS 69 CO 0.00 0.46 -1.10 0.22 -2.27 0.00 0.00 179.45 176.76 1n27 h ASP 70 N 0.72 0.30 0.50 4.20 3.58 -1.86 -3.20 116.42 120.65 1n27 h ASP 70 Ca 0.19 -0.85 -0.02 0.00 0.42 0.00 0.00 57.03 56.77 1n27 h ASP 70 Cb -0.08 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 40.87 1n27 h ASP 70 CO -0.04 1.48 -0.24 0.50 -2.88 0.00 0.00 179.24 178.06 1n27 h LYS 71 N -0.49 -0.64 0.00 0.28 3.64 -1.65 -3.28 116.57 114.42 1n27 h LYS 71 Ca -0.24 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1n27 h LYS 71 Cb 1.58 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.55 1n27 h LYS 71 CO 0.04 -0.42 -1.44 1.19 -2.27 0.00 0.00 179.45 176.55 1n27 n PHE 72 N -5.37 0.14 -0.14 1.91 3.72 0.38 -4.62 117.46 113.48 1n27 n PHE 72 Ca -0.12 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1n27 n PHE 72 Cb 0.28 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 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 1.34 2.12 3.40 1.37 0.00 -1.20 -4.87 105.19 107.35 1n27 n GLY 73 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 0.24 2.83 -0.33 1.61 -0.14 -1.26 -4.96 119.74 117.73 1n27 s LYS 74 Ca 0.00 -0.73 -0.29 0.00 -1.36 0.00 0.00 55.97 53.59 1n27 s LYS 74 Cb 0.00 -2.43 -0.07 0.00 -1.68 0.00 0.00 37.83 33.65 1n27 s LYS 74 CO 0.00 0.43 2.28 -1.13 -0.76 0.00 0.00 175.35 176.17 1n27 n SER 75 N 2.86 2.72 -4.96 2.83 3.41 -1.26 -4.94 113.62 114.29 1n27 n SER 75 Ca -0.18 0.08 -0.23 0.00 -0.26 0.00 0.00 58.87 58.28 1n27 n SER 75 Cb 0.52 -1.49 0.01 0.00 -0.26 0.00 0.00 64.21 62.99 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 9.06 5.92 0.00 4.04 2.47 -1.26 -5.03 114.94 130.14 1n27 s ASN 76 Ca 1.03 0.25 0.25 0.00 0.42 0.00 0.00 52.86 54.81 1n27 s ASN 76 Cb -0.43 -1.57 0.41 0.00 -1.45 0.00 0.00 41.25 38.21 1n27 s ASN 76 CO 0.36 -0.61 1.35 1.17 -3.72 0.00 0.00 177.10 175.65 1n27 n LYS 77 N -1.98 0.44 -2.06 0.43 4.81 -1.26 -4.70 118.16 113.83 1n27 n LYS 77 Ca 0.00 -0.29 -0.41 0.00 -0.87 0.00 0.00 58.31 56.74 1n27 n LYS 77 Cb 0.57 -1.49 -0.02 0.00 0.02 0.00 0.00 35.03 34.11 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 -2.77 4.30 1.04 1.64 1.81 -1.26 -5.03 118.95 118.68 1n27 s ARG 78 Ca 0.16 2.26 -0.12 0.00 -1.72 0.00 0.00 55.73 56.31 1n27 s ARG 78 Cb 0.18 -3.10 0.21 0.00 -0.45 0.00 0.00 34.95 31.79 1n27 s ARG 78 CO 0.65 -0.33 1.07 0.15 -0.68 0.00 0.00 175.30 176.16 1n27 s LYS 79 N -0.90 0.12 0.00 3.54 1.02 -1.26 -3.70 119.74 118.56 1n27 s LYS 79 Ca 0.55 0.70 0.00 0.00 0.02 0.00 0.00 55.97 57.24 1n27 s LYS 79 Cb -0.41 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1n27 s LYS 79 CO 0.47 -2.99 0.00 0.41 -0.92 0.00 0.00 175.35 172.32 1n27 n GLY 80 N -0.45 1.65 0.31 -3.33 0.00 -1.26 -4.70 105.19 97.41 1n27 n GLY 80 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 0.90 -0.27 1.61 3.04 -1.89 0.51 116.94 120.85 1n27 h PHE 81 Ca 0.00 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 1n27 h PHE 81 Cb 0.00 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.22 1n27 h PHE 81 CO 0.00 0.38 0.03 -0.91 -2.02 0.00 0.00 178.31 175.79 1n27 h ASN 82 N 0.84 0.44 -0.28 0.41 -0.26 -1.84 0.70 115.58 115.58 1n27 h ASN 82 Ca 0.41 -0.27 0.05 0.00 -0.56 0.00 0.00 56.30 55.92 1n27 h ASN 82 Cb 0.35 -0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 37.46 1n27 h ASN 82 CO -0.24 0.60 0.02 -0.33 -1.06 0.00 0.00 177.43 176.41 1n27 h GLU 83 N 0.26 0.10 -0.66 0.81 3.07 -1.75 -2.06 114.58 114.35 1n27 h GLU 83 Ca 0.08 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.89 1n27 h GLU 83 Cb 0.35 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 1n27 h GLU 83 CO 0.01 0.07 0.22 0.78 -1.40 0.00 0.00 179.01 178.68 1n27 h GLY 84 N 0.10 1.07 1.99 -3.84 0.00 -0.79 -1.34 103.07 100.27 1n27 h GLY 84 Ca 0.13 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1n27 h GLY 84 CO -0.21 0.57 -0.22 1.41 0.00 0.00 0.00 176.54 178.09 1n27 h LEU 85 N 0.97 0.01 -0.03 3.11 3.38 -0.56 -0.55 115.31 121.65 1n27 h LEU 85 Ca 0.22 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1n27 h LEU 85 Cb 0.26 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1n27 h LEU 85 CO -0.01 0.23 -0.15 -0.25 0.09 0.00 0.00 178.44 178.36 1n27 h TRP 86 N 0.01 0.20 -0.27 1.13 7.01 -0.61 -3.05 115.95 120.37 1n27 h TRP 86 Ca 0.00 -0.09 0.05 0.00 2.11 0.00 0.00 58.89 60.96 1n27 h TRP 86 Cb 0.39 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.38 1n27 h TRP 86 CO 0.00 0.80 -0.00 0.93 -2.79 0.00 0.00 178.44 177.38 1n27 h GLU 87 N -0.46 0.08 -0.41 2.65 5.08 -1.02 -0.99 114.58 119.51 1n27 h GLU 87 Ca -0.01 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1n27 h GLU 87 Cb 0.82 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1n27 h GLU 87 CO 0.03 0.05 -0.19 0.97 -1.00 0.00 0.00 179.01 178.87 1n27 h ILE 88 N 0.08 1.27 -0.66 3.13 2.10 -1.22 -2.27 117.51 119.94 1n27 h ILE 88 Ca 0.13 -1.29 -0.06 0.00 1.08 0.00 0.00 64.86 64.72 1n27 h ILE 88 Cb 0.17 1.16 -0.03 0.00 -1.09 0.00 0.00 36.82 37.03 1n27 h ILE 88 CO -0.22 0.43 0.18 -0.33 -1.08 0.00 0.00 178.15 177.13 1n27 h GLU 89 N 0.69 1.04 -0.97 2.19 4.39 -1.39 -2.60 114.58 117.93 1n27 h GLU 89 Ca 0.10 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 1n27 h GLU 89 Cb 0.70 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1n27 h GLU 89 CO 0.05 0.92 0.06 0.09 -1.16 0.00 0.00 179.01 178.97 1n27 n ASN 90 N -4.32 2.52 -4.13 1.42 3.02 -0.40 -4.67 115.26 108.71 1n27 n ASN 90 Ca 0.04 -2.22 -0.20 0.00 -0.03 0.00 0.00 54.58 52.18 1n27 n ASN 90 Cb 0.24 -0.55 -0.13 0.00 -0.61 0.00 0.00 39.78 38.73 1n27 n ASN 90 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1n27 s SER 91 N 0.28 1.59 0.00 6.41 0.01 -0.97 -4.98 113.70 116.03 1n27 s SER 91 Ca 0.09 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1n27 s SER 91 Cb 0.08 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1n27 s SER 91 CO 0.02 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1n27 n GLY 92 N 1.92 1.55 3.53 3.44 0.00 -1.26 -4.94 105.19 109.42 1n27 n GLY 92 Ca -0.18 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.31 1n27 n GLY 92 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1n27 s PRO 93 N -1.43 -0.56 -1.41 1.61 0.02 -1.26 -4.89 135.00 127.07 1n27 s PRO 93 Ca 0.00 0.96 -0.11 0.00 0.02 0.00 0.00 61.00 61.88 1n27 s PRO 93 Cb 0.00 -1.59 0.07 0.00 0.02 0.00 0.00 34.50 33.00 1n27 s PRO 93 CO 0.00 -3.52 2.26 0.45 -0.33 0.00 0.00 177.00 175.86 1n27 n SER 94 N -4.79 5.64 -1.79 2.53 2.88 -1.26 -4.79 113.62 112.04 1n27 n SER 94 Ca 0.05 -2.92 -0.05 0.00 -1.33 0.00 0.00 58.87 54.62 1n27 n SER 94 Cb 0.54 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 1n27 n SER 94 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1n27 n SER 95 N 4.38 -0.84 0.00 -3.46 7.64 -1.26 -5.32 113.62 114.76 1n27 n SER 95 Ca 0.54 -1.72 0.00 0.00 1.01 0.00 0.00 58.87 58.70 1n27 n SER 95 Cb 0.34 1.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.98 1n27 n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64