#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 -0.07 -3.38 1.61 7.64 -1.26 -5.09 113.62 113.07 1n27 n SER 2 Ca 0.00 0.10 -0.19 0.00 1.01 0.00 0.00 58.87 59.79 1n27 n SER 2 Cb 0.00 0.13 0.06 0.00 -1.01 0.00 0.00 64.21 63.39 1n27 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1n27 n SER 3 N -2.68 -5.61 0.00 6.43 2.88 -1.26 -4.85 113.62 108.54 1n27 n SER 3 Ca 0.00 -0.77 0.00 0.00 -1.33 0.00 0.00 58.87 56.77 1n27 n SER 3 Cb 0.00 -4.79 0.00 0.00 -0.75 0.00 0.00 64.21 58.67 1n27 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n27 n GLY 4 N -1.33 -0.11 3.28 0.46 0.00 -1.26 -5.16 105.19 101.08 1n27 n GLY 4 Ca -0.11 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1n27 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n27 s SER 5 N 0.00 4.11 0.47 1.61 1.04 -1.26 -5.01 113.70 114.66 1n27 s SER 5 Ca 0.00 -0.43 0.24 0.00 0.48 0.00 0.00 55.95 56.24 1n27 s SER 5 Cb 0.00 -1.69 1.14 0.00 0.10 0.00 0.00 66.02 65.57 1n27 s SER 5 CO 0.00 -0.01 1.94 0.28 0.98 0.00 0.00 173.24 176.43 1n27 h SER 6 N 8.04 0.00 -0.80 7.02 0.02 -2.03 -3.48 113.55 122.32 1n27 h SER 6 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1n27 h SER 6 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1n27 h SER 6 CO 0.61 0.20 0.00 0.61 -1.14 0.00 0.00 176.83 177.11 1n27 n GLY 7 N -0.32 -0.26 3.29 -3.77 0.00 -1.26 -5.17 105.19 97.70 1n27 n GLY 7 Ca -0.01 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 1n27 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n27 s GLU 8 N -1.08 1.58 0.12 1.61 2.02 -1.26 -5.05 118.70 116.65 1n27 s GLU 8 Ca 0.00 -1.90 0.05 0.00 0.02 0.00 0.00 54.97 53.14 1n27 s GLU 8 Cb 0.00 0.14 -0.04 0.00 0.10 0.00 0.00 34.13 34.33 1n27 s GLU 8 CO 0.00 -0.52 -0.12 0.71 0.02 0.00 0.00 175.26 175.36 1n27 s TYR 9 N -3.65 1.26 0.09 1.61 2.02 -1.26 -5.11 117.35 112.30 1n27 s TYR 9 Ca 0.38 -0.65 -0.04 0.00 -0.37 0.00 0.00 57.07 56.39 1n27 s TYR 9 Cb 0.04 -0.66 -0.03 0.00 -0.40 0.00 0.00 41.96 40.92 1n27 s TYR 9 CO 0.20 0.09 0.08 0.15 -1.57 0.00 0.00 175.55 174.50 1n27 s LYS 10 N -3.05 0.80 0.27 -0.62 -0.14 -1.26 -5.09 119.74 110.65 1n27 s LYS 10 Ca 0.10 -1.20 -0.31 0.00 -1.36 0.00 0.00 55.97 53.21 1n27 s LYS 10 Cb -0.02 0.27 -0.12 0.00 -1.68 0.00 0.00 37.83 36.28 1n27 s LYS 10 CO 0.01 -0.22 1.64 0.00 -0.76 0.00 0.00 175.35 176.02 1n27 n ALA 11 N -0.01 2.64 0.00 5.17 0.00 -1.26 -1.91 120.51 125.13 1n27 n ALA 11 Ca -0.12 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1n27 n ALA 11 Cb 0.62 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 2.67 1.58 3.70 0.00 0.00 -0.45 -5.05 105.19 107.66 1n27 n GLY 12 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1n27 n GLY 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n27 s ASP 13 N -2.17 7.05 0.28 1.61 1.11 -0.80 -4.88 116.67 118.87 1n27 s ASP 13 Ca 0.00 1.96 -0.17 0.00 0.18 0.00 0.00 52.55 54.52 1n27 s ASP 13 Cb 0.00 -2.57 -0.09 0.00 1.07 0.00 0.00 42.92 41.33 1n27 s ASP 13 CO 0.00 -0.53 0.73 -0.76 1.18 0.00 0.00 175.17 175.80 1n27 s LEU 14 N 1.54 4.18 0.20 1.23 1.43 -1.26 -1.34 118.68 124.67 1n27 s LEU 14 Ca 0.58 1.34 -0.08 0.00 -1.03 0.00 0.00 54.13 54.95 1n27 s LEU 14 Cb -0.28 -3.88 -0.02 0.00 0.03 0.00 0.00 46.19 42.04 1n27 s LEU 14 CO 0.27 -0.11 0.31 0.68 0.23 0.00 0.00 176.35 177.73 1n27 s VAL 15 N -1.79 0.02 -0.22 -1.59 -7.23 -0.49 -2.20 120.40 106.90 1n27 s VAL 15 Ca 0.50 -1.58 -0.08 0.00 -1.81 0.00 0.00 61.98 59.00 1n27 s VAL 15 Cb -0.13 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 1n27 s VAL 15 CO 0.19 -0.11 0.09 -0.36 -0.31 0.00 0.00 175.10 174.60 1n27 s PHE 16 N -4.04 3.21 0.27 2.82 0.08 -0.15 -1.85 117.98 118.31 1n27 s PHE 16 Ca 0.25 -0.04 -0.05 0.00 0.12 0.00 0.00 56.93 57.22 1n27 s PHE 16 Cb 0.03 -2.18 -0.05 0.00 -0.57 0.00 0.00 43.02 40.25 1n27 s PHE 16 CO 0.07 -0.03 0.53 0.00 -0.10 0.00 0.00 175.22 175.68 1n27 s ALA 17 N 0.95 3.65 -0.26 5.36 0.00 -0.47 -1.80 121.76 129.19 1n27 s ALA 17 Ca 0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 1n27 s ALA 17 Cb -0.14 -2.27 0.08 0.00 0.00 0.00 0.00 23.12 20.79 1n27 s ALA 17 CO 0.03 0.30 0.03 0.21 0.00 0.00 0.00 175.76 176.33 1n27 s LYS 18 N -3.44 1.00 0.92 0.00 2.47 -1.20 -0.83 119.74 118.67 1n27 s LYS 18 Ca 0.43 -0.90 -0.12 0.00 -1.56 0.00 0.00 55.97 53.82 1n27 s LYS 18 Cb -0.11 -2.27 0.14 0.00 -1.46 0.00 0.00 37.83 34.13 1n27 s LYS 18 CO 0.29 -0.77 1.12 -1.64 0.16 0.00 0.00 175.35 174.51 1n27 s MET 19 N 1.58 1.04 -0.83 4.03 -1.94 -1.26 -4.93 119.30 117.00 1n27 s MET 19 Ca 0.02 0.43 -0.07 0.00 -1.71 0.00 0.00 55.69 54.35 1n27 s MET 19 Cb -0.18 -1.82 -0.13 0.00 2.01 0.00 0.00 34.83 34.71 1n27 s MET 19 CO -0.14 -2.30 3.18 1.17 -0.01 0.00 0.00 175.02 176.93 1n27 n LYS 20 N -3.86 2.97 0.00 2.03 3.00 -1.26 -3.92 118.16 117.12 1n27 n LYS 20 Ca 0.06 -1.82 0.00 0.00 -0.00 0.00 0.00 58.31 56.55 1n27 n LYS 20 Cb 0.58 -2.40 0.00 0.00 0.00 0.00 0.00 35.03 33.21 1n27 n LYS 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1n27 n GLY 21 N 2.75 0.94 3.77 3.14 0.00 -1.26 -5.14 105.19 109.39 1n27 n GLY 21 Ca 0.60 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.31 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 2.63 1.10 1.61 2.02 -1.25 -5.07 117.35 118.39 1n27 s TYR 22 Ca 0.00 1.51 -0.18 0.00 -0.37 0.00 0.00 57.07 58.03 1n27 s TYR 22 Cb 0.00 -3.04 0.25 0.00 -0.40 0.00 0.00 41.96 38.77 1n27 s TYR 22 CO 0.00 -1.77 1.20 -1.25 -1.57 0.00 0.00 175.55 172.16 1n27 s PRO 23 N -4.93 -0.43 -0.19 -1.71 0.04 -1.26 -4.32 135.00 122.20 1n27 s PRO 23 Ca 0.61 -0.21 -0.29 0.00 0.04 0.00 0.00 61.00 61.15 1n27 s PRO 23 Cb -0.17 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 1n27 s PRO 23 CO 0.56 -3.16 2.03 -1.01 0.04 0.00 0.00 177.00 175.46 1n27 s HIS 24 N -3.38 1.41 0.01 0.56 3.76 -1.26 -4.39 115.29 112.00 1n27 s HIS 24 Ca 0.72 0.37 0.05 0.00 -0.15 0.00 0.00 55.06 56.05 1n27 s HIS 24 Cb -0.07 -4.03 -0.03 0.00 1.11 0.00 0.00 32.58 29.56 1n27 s HIS 24 CO 0.55 -4.04 -0.15 -0.46 -0.85 0.00 0.00 174.74 169.79 1n27 s TRP 25 N 6.96 2.66 0.02 1.40 -0.11 -0.01 -4.89 118.94 124.97 1n27 s TRP 25 Ca 0.91 -0.19 -0.30 0.00 1.22 0.00 0.00 56.10 57.74 1n27 s TRP 25 Cb -0.32 -1.54 -0.07 0.00 -1.50 0.00 0.00 33.47 30.04 1n27 s TRP 25 CO 0.35 0.26 1.59 -1.25 -4.62 0.00 0.00 176.95 173.28 1n27 s PRO 26 N -1.24 4.21 0.07 5.86 0.04 -1.26 -1.37 135.00 141.30 1n27 s PRO 26 Ca 0.14 2.21 -0.05 0.00 0.04 0.00 0.00 61.00 63.34 1n27 s PRO 26 Cb -0.11 -3.69 -0.02 0.00 0.04 0.00 0.00 34.50 30.73 1n27 s PRO 26 CO 0.04 -0.72 0.08 0.00 0.04 0.00 0.00 177.00 176.44 1n27 s ALA 27 N 2.92 0.12 -0.06 8.56 0.00 -0.77 -1.85 121.76 130.68 1n27 s ALA 27 Ca 0.71 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.83 1n27 s ALA 27 Cb -0.36 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1n27 s ALA 27 CO 0.30 -0.42 -0.15 -0.98 0.00 0.00 0.00 175.76 174.51 1n27 s ARG 28 N -3.74 2.57 -0.90 0.00 1.70 -0.33 -1.40 118.95 116.86 1n27 s ARG 28 Ca 0.05 -0.71 -0.24 0.00 -0.47 0.00 0.00 55.73 54.35 1n27 s ARG 28 Cb 0.06 -2.38 0.01 0.00 -0.57 0.00 0.00 34.95 32.06 1n27 s ARG 28 CO -0.10 0.57 1.63 0.42 -1.08 0.00 0.00 175.30 176.75 1n27 s ILE 29 N -0.60 3.68 0.00 4.99 -1.09 -0.45 -2.45 121.20 125.28 1n27 s ILE 29 Ca 0.09 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.14 1n27 s ILE 29 Cb -0.11 -4.57 0.00 0.00 -1.58 0.00 0.00 42.46 36.20 1n27 s ILE 29 CO 0.01 -1.49 0.00 -0.67 -1.23 0.00 0.00 174.94 171.56 1n27 n ASP 30 N 11.05 -0.07 -1.33 3.58 -0.08 -0.70 -1.34 116.55 127.66 1n27 n ASP 30 Ca 0.30 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 1n27 n ASP 30 Cb 0.49 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.95 1n27 n ASP 30 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1n27 n GLU 31 N -0.45 1.75 -4.04 -0.67 0.00 -1.26 -4.53 120.64 111.44 1n27 n GLU 31 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 57.16 56.93 1n27 n GLU 31 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 31.44 31.27 1n27 n GLU 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1n27 s LEU 32 N 0.00 1.12 1.15 4.31 1.43 -1.26 -4.97 118.68 120.47 1n27 s LEU 32 Ca 0.00 -0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 1n27 s LEU 32 Cb 0.00 -0.60 0.27 0.00 0.03 0.00 0.00 46.19 45.90 1n27 s LEU 32 CO 0.00 -0.10 1.04 -2.16 0.23 0.00 0.00 176.35 175.36 1n27 s PRO 33 N 1.38 -0.79 -1.02 1.29 0.04 -1.26 -4.84 135.00 129.81 1n27 s PRO 33 Ca -0.03 0.88 -0.21 0.00 0.04 0.00 0.00 61.00 61.68 1n27 s PRO 33 Cb -0.13 -1.57 -0.10 0.00 0.04 0.00 0.00 34.50 32.74 1n27 s PRO 33 CO -0.03 -3.65 1.95 0.39 0.04 0.00 0.00 177.00 175.70 1n27 n GLU 34 N -4.87 1.84 0.00 4.56 1.02 -1.26 -3.02 120.64 118.91 1n27 n GLU 34 Ca 0.04 -2.24 0.00 0.00 -0.02 0.00 0.00 57.16 54.93 1n27 n GLU 34 Cb 0.54 -3.25 0.00 0.00 -0.02 0.00 0.00 31.44 28.71 1n27 n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n27 n GLY 35 N 4.92 0.63 0.73 0.62 0.00 -1.26 -5.17 105.19 105.66 1n27 n GLY 35 Ca 0.48 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 0.11 -1.62 4.61 0.00 -1.17 -5.14 120.51 117.31 1n27 n ALA 36 Ca 0.00 -0.45 -0.35 0.00 0.00 0.00 0.00 53.44 52.64 1n27 n ALA 36 Cb 0.00 0.29 0.05 0.00 0.00 0.00 0.00 19.45 19.78 1n27 n ALA 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n27 s VAL 37 N -1.74 2.74 0.22 0.00 0.11 -1.26 -5.04 120.40 115.43 1n27 s VAL 37 Ca 0.03 0.42 -0.15 0.00 -2.93 0.00 0.00 61.98 59.35 1n27 s VAL 37 Cb 0.00 -3.07 -0.08 0.00 -1.53 0.00 0.00 36.38 31.71 1n27 s VAL 37 CO 0.02 -0.14 0.64 -1.59 -3.33 0.00 0.00 175.10 170.69 1n27 s LYS 38 N -3.60 4.02 0.46 1.54 -2.85 -1.26 -5.03 119.74 113.02 1n27 s LYS 38 Ca 0.74 0.58 -0.20 0.00 -1.00 0.00 0.00 55.97 56.09 1n27 s LYS 38 Cb -0.27 -2.74 -0.10 0.00 -2.06 0.00 0.00 37.83 32.65 1n27 s LYS 38 CO 0.37 0.35 0.99 -1.25 0.10 0.00 0.00 175.35 175.90 1n27 s PRO 39 N -2.37 4.04 0.99 1.78 0.04 -1.26 -5.05 135.00 133.17 1n27 s PRO 39 Ca 0.45 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.57 1n27 s PRO 39 Cb -0.14 -2.14 0.18 0.00 0.04 0.00 0.00 34.50 32.45 1n27 s PRO 39 CO 0.20 -0.21 1.11 -1.25 0.04 0.00 0.00 177.00 176.89 1n27 s PRO 40 N -3.25 0.47 0.05 0.56 0.04 -1.26 -4.92 135.00 126.69 1n27 s PRO 40 Ca 0.64 0.36 -0.34 0.00 0.04 0.00 0.00 61.00 61.70 1n27 s PRO 40 Cb -0.12 -1.75 -0.13 0.00 0.04 0.00 0.00 34.50 32.53 1n27 s PRO 40 CO 0.17 -2.67 1.70 0.00 0.04 0.00 0.00 177.00 176.23 1n27 n ALA 41 N -4.11 1.08 -1.05 8.56 0.00 -1.26 -2.23 120.51 121.50 1n27 n ALA 41 Ca 0.06 0.38 -0.02 0.00 0.00 0.00 0.00 53.44 53.87 1n27 n ALA 41 Cb 0.58 -2.40 -0.01 0.00 0.00 0.00 0.00 19.45 17.62 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 4.73 -3.30 -4.38 0.00 5.03 -1.26 -5.00 115.26 111.07 1n27 n ASN 42 Ca 0.19 0.04 -0.20 0.00 0.87 0.00 0.00 54.58 55.49 1n27 n ASN 42 Cb 0.29 -0.96 -0.10 0.00 -1.02 0.00 0.00 39.78 37.99 1n27 n ASN 42 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1n27 s LYS 43 N -1.67 1.42 0.15 3.52 1.02 -0.95 -4.05 119.74 119.17 1n27 s LYS 43 Ca 0.00 -1.65 0.09 0.00 0.02 0.00 0.00 55.97 54.43 1n27 s LYS 43 Cb 0.00 -1.21 -0.04 0.00 -0.52 0.00 0.00 37.83 36.06 1n27 s LYS 43 CO 0.00 0.17 -0.21 0.71 -0.92 0.00 0.00 175.35 175.10 1n27 s TYR 44 N -2.92 1.98 -0.81 3.18 2.02 -0.55 -4.72 117.35 115.52 1n27 s TYR 44 Ca 0.25 -0.42 -0.25 0.00 -0.37 0.00 0.00 57.07 56.28 1n27 s TYR 44 Cb -0.00 -1.02 -0.03 0.00 -0.40 0.00 0.00 41.96 40.50 1n27 s TYR 44 CO 0.09 0.33 1.88 -1.25 -1.57 0.00 0.00 175.55 175.03 1n27 s PRO 45 N -2.42 2.65 -0.49 -1.71 0.04 -1.26 -3.30 135.00 128.51 1n27 s PRO 45 Ca 0.14 -0.05 -0.25 0.00 0.04 0.00 0.00 61.00 60.88 1n27 s PRO 45 Cb -0.08 -4.85 0.03 0.00 0.04 0.00 0.00 34.50 29.65 1n27 s PRO 45 CO 0.07 -3.08 0.91 0.42 0.04 0.00 0.00 177.00 175.35 1n27 s ILE 46 N 9.38 4.46 -0.28 0.56 -1.09 -0.26 -1.71 121.20 132.26 1n27 s ILE 46 Ca 0.67 0.52 -0.16 0.00 -2.23 0.00 0.00 60.65 59.45 1n27 s ILE 46 Cb -0.08 -4.46 -0.03 0.00 -1.58 0.00 0.00 42.46 36.31 1n27 s ILE 46 CO 0.06 -0.93 0.43 0.12 -1.23 0.00 0.00 174.94 173.39 1n27 s PHE 47 N 3.77 3.24 -0.43 3.97 5.36 -1.03 -1.07 117.98 131.79 1n27 s PHE 47 Ca 0.33 0.43 -0.27 0.00 -0.96 0.00 0.00 56.93 56.46 1n27 s PHE 47 Cb -0.11 -2.66 0.02 0.00 -0.34 0.00 0.00 43.02 39.93 1n27 s PHE 47 CO 0.23 -0.29 1.03 -0.06 -1.46 0.00 0.00 175.22 174.67 1n27 s PHE 48 N 2.18 2.94 0.83 10.12 0.40 0.05 -1.19 117.98 133.30 1n27 s PHE 48 Ca 0.17 0.68 -0.12 0.00 -0.60 0.00 0.00 56.93 57.06 1n27 s PHE 48 Cb -0.16 -4.06 0.10 0.00 0.51 0.00 0.00 43.02 39.41 1n27 s PHE 48 CO 0.10 -1.08 1.18 -0.06 0.70 0.00 0.00 175.22 176.07 1n27 s PHE 49 N 3.97 1.80 0.00 0.36 0.08 -0.77 -0.82 117.98 122.60 1n27 s PHE 49 Ca 0.43 1.70 0.00 0.00 0.12 0.00 0.00 56.93 59.17 1n27 s PHE 49 Cb -0.09 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 38.93 1n27 s PHE 49 CO 0.26 -2.77 0.00 0.41 -0.10 0.00 0.00 175.22 173.02 1n27 n GLY 50 N 0.32 1.56 0.26 4.36 0.00 -1.26 -4.30 105.19 106.13 1n27 n GLY 50 Ca 0.13 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 0.30 -0.01 2.61 1.35 -1.77 -3.46 112.91 111.93 1n27 h THR 51 Ca 0.00 -0.70 -0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1n27 h THR 51 Cb 0.00 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1n27 h THR 51 CO 0.00 0.10 -0.00 1.41 -0.25 0.00 0.00 175.52 176.78 1n27 n HIS 52 N -3.30 0.00 -1.18 4.73 -0.00 -0.00 -5.01 115.22 110.46 1n27 n HIS 52 Ca -0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.40 1n27 n HIS 52 Cb 0.32 -1.37 0.11 0.00 -0.00 0.00 0.00 29.99 29.04 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 -1.39 2.01 -0.05 -0.41 2.02 -1.22 -4.76 118.70 114.90 1n27 s GLU 53 Ca 0.00 1.32 0.02 0.00 0.02 0.00 0.00 54.97 56.32 1n27 s GLU 53 Cb 0.00 -1.86 0.02 0.00 0.10 0.00 0.00 34.13 32.39 1n27 s GLU 53 CO 0.00 -1.85 -0.08 0.95 0.02 0.00 0.00 175.26 174.30 1n27 s THR 54 N -2.74 0.76 0.23 3.63 -4.23 -1.26 -0.77 115.64 111.26 1n27 s THR 54 Ca 0.64 -0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.86 1n27 s THR 54 Cb -0.19 -0.74 0.01 0.00 1.34 0.00 0.00 72.50 72.92 1n27 s THR 54 CO 0.54 0.27 0.32 0.00 -0.54 0.00 0.00 174.62 175.22 1n27 n ALA 55 N 3.89 -0.27 -3.64 3.99 0.00 -0.23 -5.02 120.51 119.23 1n27 n ALA 55 Ca -0.24 -1.02 -0.26 0.00 0.00 0.00 0.00 53.44 51.91 1n27 n ALA 55 Cb 0.51 0.83 -0.17 0.00 0.00 0.00 0.00 19.45 20.62 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 -3.73 1.61 0.14 0.00 0.08 -1.26 -1.10 117.98 113.72 1n27 s PHE 56 Ca 0.18 -0.71 0.06 0.00 0.12 0.00 0.00 56.93 56.59 1n27 s PHE 56 Cb -0.01 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 1n27 s PHE 56 CO 0.13 -0.40 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.20 1n27 s LEU 57 N 1.04 2.44 0.45 -0.37 1.43 -1.21 -4.91 118.68 117.55 1n27 s LEU 57 Ca -0.07 -0.86 0.08 0.00 -1.03 0.00 0.00 54.13 52.25 1n27 s LEU 57 Cb -0.15 -0.57 0.02 0.00 0.03 0.00 0.00 46.19 45.52 1n27 s LEU 57 CO -0.01 -0.16 0.56 -0.83 0.23 0.00 0.00 176.35 176.14 1n27 s GLY 58 N -2.66 1.97 0.43 -3.19 0.00 -1.26 -1.48 107.32 101.13 1n27 s GLY 58 Ca 0.12 -1.78 0.20 0.00 0.00 0.00 0.00 44.72 43.26 1n27 s GLY 58 CO 0.04 -1.59 1.86 -0.56 0.00 0.00 0.00 173.10 172.85 1n27 h PRO 59 N 0.65 0.00 0.00 2.90 0.13 -1.92 -1.28 132.00 132.48 1n27 h PRO 59 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1n27 h PRO 59 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1n27 h PRO 59 CO 0.47 0.28 0.00 1.63 -0.23 0.00 0.00 178.00 180.16 1n27 n LYS 60 N -3.68 0.19 0.00 0.86 4.76 -1.26 -2.45 118.16 116.59 1n27 n LYS 60 Ca -0.01 0.34 0.12 0.00 -2.87 0.00 0.00 58.31 55.89 1n27 n LYS 60 Cb 0.40 -1.81 0.22 0.00 -1.84 0.00 0.00 35.03 32.00 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 -2.16 1.50 -4.26 4.39 9.92 -0.48 -4.99 116.55 120.46 1n27 n ASP 61 Ca 0.03 -1.20 -0.20 0.00 -0.53 0.00 0.00 54.79 52.90 1n27 n ASP 61 Cb 0.28 0.27 -0.11 0.00 -0.64 0.00 0.00 41.12 40.91 1n27 n ASP 61 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1n27 s LEU 62 N -2.46 2.38 0.03 0.64 1.43 -1.02 -3.20 118.68 116.47 1n27 s LEU 62 Ca 0.23 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1n27 s LEU 62 Cb 0.19 -0.66 -0.02 0.00 0.03 0.00 0.00 46.19 45.73 1n27 s LEU 62 CO 0.53 -0.08 -0.07 -0.36 0.23 0.00 0.00 176.35 176.60 1n27 s PHE 63 N -1.89 0.58 0.37 0.29 0.40 -0.75 -4.92 117.98 112.06 1n27 s PHE 63 Ca 0.09 -0.38 -0.28 0.00 -0.60 0.00 0.00 56.93 55.76 1n27 s PHE 63 Cb -0.06 -0.36 -0.10 0.00 0.51 0.00 0.00 43.02 43.01 1n27 s PHE 63 CO 0.04 -0.07 1.41 -1.25 0.70 0.00 0.00 175.22 176.05 1n27 s PRO 64 N -1.15 4.15 0.03 0.24 0.04 -1.26 -0.98 135.00 136.07 1n27 s PRO 64 Ca -0.07 2.41 -0.16 0.00 0.04 0.00 0.00 61.00 63.22 1n27 s PRO 64 Cb -0.08 -2.96 -0.09 0.00 0.04 0.00 0.00 34.50 31.41 1n27 s PRO 64 CO 0.00 -0.43 1.25 -0.92 0.04 0.00 0.00 177.00 176.93 1n27 h TYR 65 N 3.05 -0.56 0.00 0.56 3.20 -1.72 -3.21 116.97 118.29 1n27 h TYR 65 Ca -0.50 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.35 1n27 h TYR 65 Cb 1.24 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.70 1n27 h TYR 65 CO 0.54 -0.33 -0.06 1.57 -1.64 0.00 0.00 178.16 178.24 1n27 h LYS 66 N -0.56 0.00 0.52 1.82 5.09 -1.93 0.95 116.57 122.46 1n27 h LYS 66 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.66 1n27 h LYS 66 Cb 0.44 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.78 1n27 h LYS 66 CO 0.08 0.06 -0.25 1.49 -2.09 0.00 0.00 179.45 178.74 1n27 h GLU 67 N 0.00 -0.67 -0.64 0.07 4.81 -1.98 -3.32 114.58 112.84 1n27 h GLU 67 Ca -0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1n27 h GLU 67 Cb 0.17 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1n27 h GLU 67 CO 0.01 -0.39 0.00 0.66 -0.73 0.00 0.00 179.01 178.55 1n27 n TYR 68 N -5.25 0.81 -0.36 0.92 4.02 -0.52 -4.56 117.16 112.22 1n27 n TYR 68 Ca -0.10 -0.31 -0.03 0.00 -0.01 0.00 0.00 57.90 57.46 1n27 n TYR 68 Cb 0.30 -0.19 0.10 0.00 -0.02 0.00 0.00 39.34 39.53 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 1.97 1.29 0.00 -0.72 3.64 -0.97 0.18 116.57 121.96 1n27 h LYS 69 Ca 0.00 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1n27 h LYS 69 Cb 0.95 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1n27 h LYS 69 CO 0.15 0.88 -0.02 0.22 -2.27 0.00 0.00 179.45 178.41 1n27 h ASP 70 N 1.32 0.00 -1.00 4.20 3.58 -1.83 -2.59 116.42 120.10 1n27 h ASP 70 Ca 0.35 -0.65 0.19 0.00 0.42 0.00 0.00 57.03 57.34 1n27 h ASP 70 Cb -0.11 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 40.83 1n27 h ASP 70 CO -0.07 0.84 0.61 0.50 -2.88 0.00 0.00 179.24 178.24 1n27 h LYS 71 N -1.00 0.73 0.00 0.28 3.64 -1.65 -2.65 116.57 115.92 1n27 h LYS 71 Ca -0.00 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 1n27 h LYS 71 Cb 0.67 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1n27 h LYS 71 CO -0.00 0.48 -1.57 1.19 -2.27 0.00 0.00 179.45 177.28 1n27 n PHE 72 N -4.77 0.00 -2.20 1.91 3.72 0.56 -4.76 117.46 111.92 1n27 n PHE 72 Ca 0.24 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.21 1n27 n PHE 72 Cb 0.58 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 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 2.11 4.49 3.31 1.37 0.00 -0.98 -4.89 105.19 110.61 1n27 n GLY 73 Ca -0.08 -1.91 -0.28 0.00 0.00 0.00 0.00 46.02 43.74 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 1.47 1.62 -0.57 1.61 -0.14 -1.26 -4.66 119.74 117.82 1n27 s LYS 74 Ca 0.43 -1.07 -0.26 0.00 -1.36 0.00 0.00 55.97 53.70 1n27 s LYS 74 Cb 0.10 -1.80 -0.09 0.00 -1.68 0.00 0.00 37.83 34.36 1n27 s LYS 74 CO -0.02 0.46 2.44 0.43 -0.76 0.00 0.00 175.35 177.90 1n27 n SER 75 N 1.73 2.06 -4.53 2.83 7.64 -1.26 -4.94 113.62 117.15 1n27 n SER 75 Ca -0.17 -0.54 -0.29 0.00 1.01 0.00 0.00 58.87 58.87 1n27 n SER 75 Cb 0.52 -1.53 0.15 0.00 -1.01 0.00 0.00 64.21 62.34 1n27 n SER 75 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1n27 s ASN 76 N 11.77 3.47 0.11 6.43 3.84 -1.26 -5.00 114.94 134.30 1n27 s ASN 76 Ca 1.01 0.65 -0.11 0.00 0.21 0.00 0.00 52.86 54.62 1n27 s ASN 76 Cb -0.27 -1.00 -0.13 0.00 -0.55 0.00 0.00 41.25 39.30 1n27 s ASN 76 CO 0.27 -2.54 1.32 0.50 -2.79 0.00 0.00 177.10 173.86 1n27 h LYS 77 N -1.50 0.75 -6.96 0.43 1.63 -2.02 -3.46 116.57 105.44 1n27 h LYS 77 Ca -0.47 -0.61 -0.54 0.00 -0.85 0.00 0.00 60.65 58.18 1n27 h LYS 77 Cb 1.30 0.13 0.11 0.00 -0.60 0.00 0.00 32.23 33.17 1n27 h LYS 77 CO 0.53 1.22 0.75 1.03 -3.45 0.00 0.00 179.45 179.53 1n27 s ARG 78 N -3.74 3.93 0.94 1.90 1.81 -1.26 -5.01 118.95 117.52 1n27 s ARG 78 Ca -0.10 2.51 -0.11 0.00 -1.72 0.00 0.00 55.73 56.31 1n27 s ARG 78 Cb 0.09 -2.84 0.16 0.00 -0.45 0.00 0.00 34.95 31.91 1n27 s ARG 78 CO 0.90 -0.65 1.10 0.21 -0.68 0.00 0.00 175.30 176.17 1n27 s LYS 79 N -2.24 0.87 0.00 3.54 2.47 -1.26 -3.61 119.74 119.51 1n27 s LYS 79 Ca 0.56 1.15 0.00 0.00 -1.56 0.00 0.00 55.97 56.13 1n27 s LYS 79 Cb -0.45 -1.74 0.00 0.00 -1.46 0.00 0.00 37.83 34.18 1n27 s LYS 79 CO 0.60 -2.60 0.00 0.41 0.16 0.00 0.00 175.35 173.92 1n27 n GLY 80 N -0.25 0.76 0.22 5.54 0.00 -1.26 -4.68 105.19 105.53 1n27 n GLY 80 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.15 0.00 1.61 3.04 -1.87 -0.73 116.94 118.84 1n27 h PHE 81 Ca 0.00 0.05 -0.06 0.00 3.98 0.00 0.00 57.97 61.93 1n27 h PHE 81 Cb 0.00 0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 1n27 h PHE 81 CO 0.00 -0.19 -0.31 -0.97 -2.02 0.00 0.00 178.31 174.83 1n27 h ASN 82 N 0.07 0.00 -0.16 0.41 -0.73 -1.84 -0.90 115.58 112.43 1n27 h ASN 82 Ca 0.29 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.42 1n27 h ASN 82 Cb 0.45 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.04 1n27 h ASN 82 CO -0.53 0.31 -0.04 -0.33 -0.37 0.00 0.00 177.43 176.47 1n27 h GLU 83 N 0.00 0.32 0.00 6.67 4.39 -1.56 -3.09 114.58 121.31 1n27 h GLU 83 Ca -0.00 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 1n27 h GLU 83 Cb 0.57 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1n27 h GLU 83 CO 0.04 0.60 -0.21 0.78 -1.16 0.00 0.00 179.01 179.05 1n27 h GLY 84 N 0.02 0.00 0.61 -3.84 0.00 -0.66 -0.92 103.07 98.28 1n27 h GLY 84 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1n27 h GLY 84 CO 0.02 0.00 -0.00 1.41 0.00 0.00 0.00 176.54 177.96 1n27 h LEU 85 N 0.00 0.02 -1.11 3.11 3.38 -1.19 -0.62 115.31 118.90 1n27 h LEU 85 Ca -0.00 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.59 1n27 h LEU 85 Cb 0.41 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1n27 h LEU 85 CO 0.03 0.41 0.60 -0.25 0.09 0.00 0.00 178.44 179.33 1n27 h TRP 86 N -0.37 1.14 0.50 1.13 7.01 -1.37 -2.01 115.95 121.97 1n27 h TRP 86 Ca 0.00 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 1n27 h TRP 86 Cb 0.41 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 1n27 h TRP 86 CO 0.06 0.70 -0.35 0.93 -2.79 0.00 0.00 178.44 177.00 1n27 h GLU 87 N 1.21 -0.77 -0.23 2.65 5.08 -1.14 -2.00 114.58 119.38 1n27 h GLU 87 Ca 0.34 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 1n27 h GLU 87 Cb -0.10 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1n27 h GLU 87 CO -0.08 -0.52 0.05 0.97 -1.00 0.00 0.00 179.01 178.43 1n27 h ILE 88 N -0.80 1.12 0.28 3.13 2.10 -0.77 0.23 117.51 122.80 1n27 h ILE 88 Ca -0.07 -0.41 -0.01 0.00 1.08 0.00 0.00 64.86 65.45 1n27 h ILE 88 Cb 0.66 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.28 1n27 h ILE 88 CO 0.04 0.15 -0.14 -0.33 -1.08 0.00 0.00 178.15 176.79 1n27 h GLU 89 N 0.32 -0.37 -0.40 2.19 5.08 -1.42 -1.86 114.58 118.13 1n27 h GLU 89 Ca 0.08 0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 1n27 h GLU 89 Cb 0.14 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1n27 h GLU 89 CO -0.00 -0.08 -0.26 -0.91 -1.00 0.00 0.00 179.01 176.75 1n27 h ASN 90 N -0.64 0.86 0.01 1.42 2.35 -0.48 -0.85 115.58 118.26 1n27 h ASN 90 Ca -0.04 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1n27 h ASN 90 Cb 0.45 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1n27 h ASN 90 CO 0.06 1.07 0.00 -1.20 -1.65 0.00 0.00 177.43 175.72 1n27 n SER 91 N -4.09 0.00 -3.74 5.81 7.64 0.72 -4.53 113.62 115.43 1n27 n SER 91 Ca -0.00 -0.66 -0.28 0.00 1.01 0.00 0.00 58.87 58.93 1n27 n SER 91 Cb 0.47 -0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.54 1n27 n SER 91 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1n27 s GLY 92 N -2.02 2.23 -1.00 0.23 0.00 -0.32 -5.01 107.32 101.43 1n27 s GLY 92 Ca 0.32 -3.22 -0.13 0.00 0.00 0.00 0.00 44.72 41.69 1n27 s GLY 92 CO 0.25 1.42 2.14 -1.55 0.00 0.00 0.00 173.10 175.37 1n27 n PRO 93 N 2.56 2.13 -2.09 2.90 -0.04 -1.26 -4.80 135.00 134.40 1n27 n PRO 93 Ca 0.19 -1.81 -0.36 0.00 -0.04 0.00 0.00 63.50 61.48 1n27 n PRO 93 Cb 0.38 -2.76 0.02 0.00 -0.04 0.00 0.00 33.50 31.10 1n27 n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1n27 s SER 94 N 3.84 5.47 -0.20 3.54 0.01 -1.26 -4.99 113.70 120.10 1n27 s SER 94 Ca 0.50 2.35 -0.29 0.00 1.31 0.00 0.00 55.95 59.82 1n27 s SER 94 Cb 0.13 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 1n27 s SER 94 CO 0.01 -1.40 1.37 -0.94 0.41 0.00 0.00 173.24 172.68 1n27 s SER 95 N -1.55 6.75 0.00 2.44 1.04 -1.26 -5.24 113.70 115.88 1n27 s SER 95 Ca 0.74 1.60 0.00 0.00 0.48 0.00 0.00 55.95 58.77 1n27 s SER 95 Cb -0.29 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.29 1n27 s SER 95 CO 0.33 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.21