#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n27 s SER 2 N 0.00 2.08 0.62 1.61 1.04 -1.26 -5.13 113.70 112.66 1n27 s SER 2 Ca 0.00 -1.32 -0.18 0.00 0.48 0.00 0.00 55.95 54.92 1n27 s SER 2 Cb 0.00 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 1n27 s SER 2 CO 0.00 -0.35 1.14 -1.20 0.98 0.00 0.00 173.24 173.81 1n27 n SER 3 N 4.79 1.48 0.00 7.02 7.64 -1.26 -4.90 113.62 128.39 1n27 n SER 3 Ca 0.03 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1n27 n SER 3 Cb 0.44 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 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 1.09 3.86 0.24 0.23 0.00 -1.26 -4.98 105.19 104.38 1n27 n GLY 4 Ca 0.14 -1.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.03 1n27 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1n27 h SER 5 N 0.00 0.34 -6.87 1.61 0.87 -2.06 -3.47 113.55 103.97 1n27 h SER 5 Ca 0.00 -0.09 -0.57 0.00 -1.23 0.00 0.00 61.79 59.90 1n27 h SER 5 Cb 0.00 -0.09 -0.25 0.00 -0.44 0.00 0.00 62.40 61.62 1n27 h SER 5 CO 0.00 0.54 -0.86 -0.24 -0.53 0.00 0.00 176.83 175.74 1n27 n SER 6 N -4.20 -2.55 -4.58 6.23 2.88 -1.26 -4.85 113.62 105.29 1n27 n SER 6 Ca -0.00 -1.09 -0.37 0.00 -1.33 0.00 0.00 58.87 56.08 1n27 n SER 6 Cb 0.33 -2.41 -0.02 0.00 -0.75 0.00 0.00 64.21 61.35 1n27 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1n27 s GLY 7 N -3.39 1.08 -0.30 0.46 0.00 -1.26 -4.71 107.32 99.20 1n27 s GLY 7 Ca 0.69 -2.55 -0.09 0.00 0.00 0.00 0.00 44.72 42.77 1n27 s GLY 7 CO 0.96 3.02 0.92 -1.83 0.00 0.00 0.00 173.10 176.16 1n27 s GLU 8 N 5.13 0.30 0.59 2.90 -1.05 -1.26 -5.12 118.70 120.18 1n27 s GLU 8 Ca 0.58 0.51 -0.15 0.00 -0.15 0.00 0.00 54.97 55.76 1n27 s GLU 8 Cb 0.02 0.28 -0.04 0.00 -0.44 0.00 0.00 34.13 33.94 1n27 s GLU 8 CO 0.07 -0.34 1.04 0.71 0.95 0.00 0.00 175.26 177.70 1n27 s TYR 9 N 2.93 3.11 0.09 4.83 1.51 -1.26 -5.06 117.35 123.49 1n27 s TYR 9 Ca 0.06 1.49 0.04 0.00 -1.01 0.00 0.00 57.07 57.65 1n27 s TYR 9 Cb -0.11 -2.95 -0.03 0.00 -0.11 0.00 0.00 41.96 38.76 1n27 s TYR 9 CO -0.15 -0.97 -0.11 0.15 -1.11 0.00 0.00 175.55 173.36 1n27 s LYS 10 N -4.20 0.83 0.36 -0.62 -0.14 -1.26 -5.06 119.74 109.66 1n27 s LYS 10 Ca 0.62 -1.10 -0.28 0.00 -1.36 0.00 0.00 55.97 53.85 1n27 s LYS 10 Cb -0.14 -0.59 -0.12 0.00 -1.68 0.00 0.00 37.83 35.30 1n27 s LYS 10 CO 0.38 0.10 1.39 0.00 -0.76 0.00 0.00 175.35 176.46 1n27 n ALA 11 N 0.75 1.82 0.00 5.17 0.00 -1.26 -1.99 120.51 125.00 1n27 n ALA 11 Ca -0.17 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1n27 n ALA 11 Cb 0.57 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 0.61 1.91 3.73 0.00 0.00 -0.46 -4.99 105.19 105.99 1n27 n GLY 12 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.64 3.46 0.09 1.61 -1.08 -0.84 -4.89 116.67 112.38 1n27 s ASP 13 Ca 0.00 1.33 0.08 0.00 -0.52 0.00 0.00 52.55 53.44 1n27 s ASP 13 Cb 0.00 -2.00 -0.03 0.00 -1.46 0.00 0.00 42.92 39.42 1n27 s ASP 13 CO 0.00 -2.63 -0.21 -0.76 0.52 0.00 0.00 175.17 172.09 1n27 s LEU 14 N -6.18 2.27 0.24 -1.34 1.43 -1.26 -1.19 118.68 112.65 1n27 s LEU 14 Ca 0.63 -0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 52.99 1n27 s LEU 14 Cb -0.17 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 1n27 s LEU 14 CO 0.56 0.09 0.39 0.68 0.23 0.00 0.00 176.35 178.31 1n27 s VAL 15 N -1.07 0.00 -0.12 -1.59 -7.23 -0.37 -1.59 120.40 108.43 1n27 s VAL 15 Ca 0.07 -1.57 -0.05 0.00 -1.81 0.00 0.00 61.98 58.63 1n27 s VAL 15 Cb -0.10 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1n27 s VAL 15 CO 0.04 0.00 0.07 -0.36 -0.31 0.00 0.00 175.10 174.53 1n27 s PHE 16 N -4.00 3.35 -0.19 2.82 0.08 -0.26 -1.84 117.98 117.93 1n27 s PHE 16 Ca 0.27 0.30 -0.01 0.00 0.12 0.00 0.00 56.93 57.61 1n27 s PHE 16 Cb 0.01 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.57 1n27 s PHE 16 CO 0.10 0.52 -0.14 0.00 -0.10 0.00 0.00 175.22 175.61 1n27 s ALA 17 N -0.72 2.52 -0.41 5.36 0.00 -0.16 -2.02 121.76 126.32 1n27 s ALA 17 Ca 0.12 -1.18 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 1n27 s ALA 17 Cb -0.12 -1.37 0.06 0.00 0.00 0.00 0.00 23.12 21.69 1n27 s ALA 17 CO 0.03 -0.34 0.26 0.21 0.00 0.00 0.00 175.76 175.92 1n27 s LYS 18 N 1.29 2.73 0.43 0.00 2.47 -1.22 -0.63 119.74 124.82 1n27 s LYS 18 Ca 0.04 -1.33 -0.06 0.00 -1.56 0.00 0.00 55.97 53.06 1n27 s LYS 18 Cb -0.14 -3.82 -0.05 0.00 -1.46 0.00 0.00 37.83 32.37 1n27 s LYS 18 CO -0.08 -0.89 0.74 -1.64 0.16 0.00 0.00 175.35 173.65 1n27 s MET 19 N 1.50 3.61 -0.74 4.03 -1.94 -1.26 -4.97 119.30 119.53 1n27 s MET 19 Ca 0.03 0.22 -0.26 0.00 -1.71 0.00 0.00 55.69 53.97 1n27 s MET 19 Cb -0.22 -2.42 -0.08 0.00 2.01 0.00 0.00 34.83 34.12 1n27 s MET 19 CO 0.04 -0.10 2.19 0.15 -0.01 0.00 0.00 175.02 177.29 1n27 s LYS 20 N -4.36 2.13 0.00 2.03 1.02 -1.26 -2.32 119.74 116.98 1n27 s LYS 20 Ca 0.48 0.45 0.00 0.00 0.02 0.00 0.00 55.97 56.92 1n27 s LYS 20 Cb -0.10 -4.77 0.00 0.00 -0.52 0.00 0.00 37.83 32.44 1n27 s LYS 20 CO 0.39 -3.65 0.00 0.41 -0.92 0.00 0.00 175.35 171.58 1n27 n GLY 21 N 6.50 2.83 3.78 -3.33 0.00 -1.26 -5.08 105.19 108.63 1n27 n GLY 21 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.65 2.75 1.42 1.61 2.02 -0.98 -5.06 117.35 116.45 1n27 s TYR 22 Ca 0.00 1.36 -0.23 0.00 -0.37 0.00 0.00 57.07 57.83 1n27 s TYR 22 Cb 0.00 -3.04 0.36 0.00 -0.40 0.00 0.00 41.96 38.89 1n27 s TYR 22 CO 0.00 -1.73 0.94 -2.14 -1.57 0.00 0.00 175.55 171.04 1n27 s PRO 23 N -5.01 -2.92 -0.78 -1.71 0.02 -1.26 -4.53 135.00 118.80 1n27 s PRO 23 Ca 0.61 0.12 -0.25 0.00 0.02 0.00 0.00 61.00 61.49 1n27 s PRO 23 Cb -0.16 -1.38 -0.08 0.00 0.02 0.00 0.00 34.50 32.90 1n27 s PRO 23 CO 0.55 -4.86 2.17 -1.01 -0.33 0.00 0.00 177.00 173.52 1n27 s HIS 24 N -2.30 1.44 0.29 6.54 3.76 -1.26 -4.19 115.29 119.56 1n27 s HIS 24 Ca 0.69 1.29 -0.29 0.00 -0.15 0.00 0.00 55.06 56.60 1n27 s HIS 24 Cb -0.13 -3.76 -0.09 0.00 1.11 0.00 0.00 32.58 29.71 1n27 s HIS 24 CO 0.58 -1.83 1.04 -0.46 -0.85 0.00 0.00 174.74 173.21 1n27 s TRP 25 N 12.05 3.66 -0.05 1.40 -0.11 0.20 -4.76 118.94 131.34 1n27 s TRP 25 Ca 0.82 1.76 -0.30 0.00 1.22 0.00 0.00 56.10 59.60 1n27 s TRP 25 Cb -0.11 -3.16 -0.05 0.00 -1.50 0.00 0.00 33.47 28.65 1n27 s TRP 25 CO 0.08 -0.23 1.59 -1.25 -4.62 0.00 0.00 176.95 172.52 1n27 s PRO 26 N -1.55 4.20 0.11 5.86 0.04 -1.26 -0.99 135.00 141.41 1n27 s PRO 26 Ca 0.46 2.13 -0.02 0.00 0.04 0.00 0.00 61.00 63.60 1n27 s PRO 26 Cb -0.28 -3.88 -0.03 0.00 0.04 0.00 0.00 34.50 30.34 1n27 s PRO 26 CO 0.36 -0.79 0.06 0.00 0.04 0.00 0.00 177.00 176.67 1n27 s ALA 27 N 3.67 0.60 0.16 8.56 0.00 -0.77 -1.89 121.76 132.09 1n27 s ALA 27 Ca 0.71 -1.28 0.11 0.00 0.00 0.00 0.00 51.96 51.50 1n27 s ALA 27 Cb -0.33 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1n27 s ALA 27 CO 0.28 -0.47 -0.25 -0.98 0.00 0.00 0.00 175.76 174.34 1n27 s ARG 28 N -3.99 1.47 -0.17 0.00 1.70 -0.02 -1.24 118.95 116.70 1n27 s ARG 28 Ca 0.17 -1.44 -0.29 0.00 -0.47 0.00 0.00 55.73 53.70 1n27 s ARG 28 Cb 0.07 -1.87 -0.01 0.00 -0.57 0.00 0.00 34.95 32.57 1n27 s ARG 28 CO -0.03 0.42 1.10 0.42 -1.08 0.00 0.00 175.30 176.13 1n27 s ILE 29 N -1.40 4.57 0.26 4.99 -1.09 -0.33 -1.75 121.20 126.44 1n27 s ILE 29 Ca 0.18 1.88 0.04 0.00 -2.23 0.00 0.00 60.65 60.52 1n27 s ILE 29 Cb -0.09 -4.21 0.04 0.00 -1.58 0.00 0.00 42.46 36.62 1n27 s ILE 29 CO 0.08 -0.11 0.32 -0.67 -1.23 0.00 0.00 174.94 173.33 1n27 n ASP 30 N 5.95 1.17 -2.44 3.58 2.03 -0.79 -1.36 116.55 124.69 1n27 n ASP 30 Ca 0.12 -1.74 -0.04 0.00 0.52 0.00 0.00 54.79 53.65 1n27 n ASP 30 Cb 0.46 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 1n27 n ASP 30 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1n27 n GLU 31 N -1.45 1.28 -4.83 -0.67 0.28 -1.26 -4.27 120.64 109.71 1n27 n GLU 31 Ca 0.05 -0.52 -0.33 0.00 -0.16 0.00 0.00 57.16 56.21 1n27 n GLU 31 Cb 0.27 0.04 -0.13 0.00 1.43 0.00 0.00 31.44 33.05 1n27 n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1n27 s LEU 32 N 0.00 2.77 0.90 -1.84 1.43 -1.26 -4.86 118.68 115.82 1n27 s LEU 32 Ca 0.06 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 1n27 s LEU 32 Cb -0.00 -1.59 0.13 0.00 0.03 0.00 0.00 46.19 44.76 1n27 s LEU 32 CO 0.04 0.29 1.09 -2.16 0.23 0.00 0.00 176.35 175.84 1n27 s PRO 33 N -0.40 1.24 -0.20 1.29 0.04 -1.26 -4.91 135.00 130.80 1n27 s PRO 33 Ca 0.05 0.93 -0.06 0.00 0.04 0.00 0.00 61.00 61.95 1n27 s PRO 33 Cb -0.12 -1.80 -0.23 0.00 0.04 0.00 0.00 34.50 32.39 1n27 s PRO 33 CO 0.02 -2.28 3.31 0.39 0.04 0.00 0.00 177.00 178.48 1n27 n GLU 34 N -3.92 2.06 0.00 4.56 4.71 -1.26 -3.87 120.64 122.91 1n27 n GLU 34 Ca 0.07 -1.08 0.00 0.00 -0.01 0.00 0.00 57.16 56.15 1n27 n GLU 34 Cb 0.55 -2.07 0.00 0.00 -1.01 0.00 0.00 31.44 28.91 1n27 n GLU 34 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1n27 n GLY 35 N 2.68 0.00 0.00 0.62 0.00 -1.26 -5.18 105.19 102.05 1n27 n GLY 35 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 -1.77 4.61 0.00 -1.25 -5.06 120.51 117.04 1n27 n ALA 36 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1n27 n ALA 36 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 1.81 2.23 -0.38 0.00 1.01 -1.26 -5.01 120.40 118.80 1n27 s VAL 37 Ca 0.00 0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 1n27 s VAL 37 Cb 0.00 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1n27 s VAL 37 CO 0.00 0.04 0.78 -1.59 0.00 0.00 0.00 175.10 174.33 1n27 s LYS 38 N -2.29 3.67 1.01 2.72 -2.85 -1.26 -5.02 119.74 115.72 1n27 s LYS 38 Ca 0.58 0.21 -0.13 0.00 -1.00 0.00 0.00 55.97 55.63 1n27 s LYS 38 Cb -0.43 -3.84 0.19 0.00 -2.06 0.00 0.00 37.83 31.70 1n27 s LYS 38 CO 0.56 -0.91 1.10 -1.25 0.10 0.00 0.00 175.35 174.94 1n27 s PRO 39 N 3.14 0.35 0.54 1.78 0.04 -1.26 -5.06 135.00 134.53 1n27 s PRO 39 Ca 0.31 0.45 -0.17 0.00 0.04 0.00 0.00 61.00 61.63 1n27 s PRO 39 Cb -0.13 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 1n27 s PRO 39 CO 0.18 -2.77 1.01 -1.25 0.04 0.00 0.00 177.00 174.21 1n27 s PRO 40 N -5.00 3.72 0.29 0.56 0.04 -1.26 -5.00 135.00 128.34 1n27 s PRO 40 Ca 0.66 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 1n27 s PRO 40 Cb -0.18 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 1n27 s PRO 40 CO 0.57 -0.47 1.46 0.00 0.04 0.00 0.00 177.00 178.60 1n27 s ALA 41 N -2.49 3.63 0.00 8.56 0.00 -1.26 -1.81 121.76 128.40 1n27 s ALA 41 Ca 0.61 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1n27 s ALA 41 Cb -0.13 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1n27 s ALA 41 CO 0.31 -0.82 0.00 0.09 0.00 0.00 0.00 175.76 175.35 1n27 n ASN 42 N 1.85 0.00 -4.91 0.00 3.02 -1.26 -5.08 115.26 108.89 1n27 n ASN 42 Ca 0.05 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.33 1n27 n ASN 42 Cb 0.40 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.62 1n27 n ASN 42 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1n27 s LYS 43 N -0.31 2.54 0.07 3.52 1.02 -0.75 -4.39 119.74 121.44 1n27 s LYS 43 Ca 0.00 0.08 0.05 0.00 0.02 0.00 0.00 55.97 56.12 1n27 s LYS 43 Cb 0.00 -2.12 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 1n27 s LYS 43 CO 0.00 -1.10 -0.15 0.71 -0.92 0.00 0.00 175.35 173.90 1n27 s TYR 44 N -3.27 1.25 -0.85 3.18 2.02 -0.72 -4.90 117.35 114.06 1n27 s TYR 44 Ca 0.58 -0.44 -0.25 0.00 -0.37 0.00 0.00 57.07 56.59 1n27 s TYR 44 Cb -0.11 -0.71 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 1n27 s TYR 44 CO 0.48 0.06 1.88 -1.25 -1.57 0.00 0.00 175.55 175.15 1n27 s PRO 45 N -1.66 2.65 -0.18 -1.71 0.04 -1.26 -3.51 135.00 129.36 1n27 s PRO 45 Ca -0.01 -0.16 -0.25 0.00 0.04 0.00 0.00 61.00 60.62 1n27 s PRO 45 Cb -0.10 -4.93 -0.01 0.00 0.04 0.00 0.00 34.50 29.50 1n27 s PRO 45 CO 0.02 -3.14 0.83 0.42 0.04 0.00 0.00 177.00 175.18 1n27 s ILE 46 N 9.43 4.87 -0.30 0.56 -1.09 -0.98 -1.89 121.20 131.81 1n27 s ILE 46 Ca 0.67 1.62 -0.11 0.00 -2.23 0.00 0.00 60.65 60.61 1n27 s ILE 46 Cb -0.07 -4.13 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 1n27 s ILE 46 CO 0.03 0.01 0.18 0.12 -1.23 0.00 0.00 174.94 174.05 1n27 s PHE 47 N 2.29 3.19 -0.58 3.97 5.36 -0.72 -2.44 117.98 129.05 1n27 s PHE 47 Ca 0.38 -0.25 -0.25 0.00 -0.96 0.00 0.00 56.93 55.84 1n27 s PHE 47 Cb -0.16 -2.38 0.04 0.00 -0.34 0.00 0.00 43.02 40.18 1n27 s PHE 47 CO 0.11 -0.33 1.04 -0.06 -1.46 0.00 0.00 175.22 174.52 1n27 s PHE 48 N 1.69 2.70 0.82 10.12 0.40 0.14 -0.84 117.98 133.00 1n27 s PHE 48 Ca 0.06 0.08 -0.13 0.00 -0.60 0.00 0.00 56.93 56.35 1n27 s PHE 48 Cb -0.17 -4.26 0.09 0.00 0.51 0.00 0.00 43.02 39.20 1n27 s PHE 48 CO 0.08 -1.49 1.19 -0.06 0.70 0.00 0.00 175.22 175.65 1n27 s PHE 49 N 4.38 1.79 0.00 0.36 0.08 -0.79 -0.24 117.98 123.56 1n27 s PHE 49 Ca 0.34 1.69 0.00 0.00 0.12 0.00 0.00 56.93 59.08 1n27 s PHE 49 Cb -0.11 -3.45 0.00 0.00 -0.57 0.00 0.00 43.02 38.89 1n27 s PHE 49 CO 0.20 -2.81 0.00 0.41 -0.10 0.00 0.00 175.22 172.92 1n27 n GLY 50 N 0.39 1.86 0.00 4.36 0.00 -1.26 -4.33 105.19 106.21 1n27 n GLY 50 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.09 0.00 -1.47 2.61 -2.24 -1.22 -4.59 114.28 106.28 1n27 n THR 51 Ca 0.00 -0.19 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 1n27 n THR 51 Cb 0.00 0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.66 0.00 -1.46 4.78 -0.00 0.67 -4.99 115.22 112.56 1n27 n HIS 52 Ca -0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.40 1n27 n HIS 52 Cb 0.17 -3.00 0.07 0.00 -0.00 0.00 0.00 29.99 27.23 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 -3.33 2.66 -0.07 -0.41 2.02 -1.17 -4.76 118.70 113.63 1n27 s GLU 53 Ca 0.00 1.02 0.03 0.00 0.02 0.00 0.00 54.97 56.04 1n27 s GLU 53 Cb 0.00 -1.95 0.01 0.00 0.10 0.00 0.00 34.13 32.28 1n27 s GLU 53 CO 0.00 -1.31 -0.17 0.95 0.02 0.00 0.00 175.26 174.75 1n27 s THR 54 N -3.00 1.46 0.22 3.63 -4.23 -1.26 -0.69 115.64 111.76 1n27 s THR 54 Ca 0.59 -0.68 -0.05 0.00 -1.18 0.00 0.00 61.69 60.38 1n27 s THR 54 Cb -0.15 -1.29 -0.03 0.00 1.34 0.00 0.00 72.50 72.37 1n27 s THR 54 CO 0.55 0.42 0.24 0.00 -0.54 0.00 0.00 174.62 175.30 1n27 s ALA 55 N 0.45 0.73 -0.27 3.99 0.00 -1.02 -5.04 121.76 120.61 1n27 s ALA 55 Ca -0.14 -1.45 -0.07 0.00 0.00 0.00 0.00 51.96 50.30 1n27 s ALA 55 Cb -0.16 1.29 -0.01 0.00 0.00 0.00 0.00 23.12 24.24 1n27 s ALA 55 CO 0.05 -0.68 0.07 -0.06 0.00 0.00 0.00 175.76 175.14 1n27 s PHE 56 N -4.09 3.10 0.16 0.00 0.08 -1.26 -2.31 117.98 113.66 1n27 s PHE 56 Ca 0.34 -0.65 0.09 0.00 0.12 0.00 0.00 56.93 56.83 1n27 s PHE 56 Cb 0.04 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 1n27 s PHE 56 CO 0.11 -0.45 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.08 1n27 s LEU 57 N 1.57 2.41 0.37 -0.37 1.43 -1.23 -4.95 118.68 117.91 1n27 s LEU 57 Ca 0.05 -0.83 0.07 0.00 -1.03 0.00 0.00 54.13 52.39 1n27 s LEU 57 Cb -0.16 -0.88 -0.00 0.00 0.03 0.00 0.00 46.19 45.18 1n27 s LEU 57 CO 0.03 -0.00 0.50 -0.83 0.23 0.00 0.00 176.35 176.27 1n27 s GLY 58 N -2.54 1.75 0.42 -3.19 0.00 -1.26 -1.76 107.32 100.73 1n27 s GLY 58 Ca 0.15 -1.55 0.09 0.00 0.00 0.00 0.00 44.72 43.40 1n27 s GLY 58 CO 0.07 -1.43 2.02 -0.56 0.00 0.00 0.00 173.10 173.19 1n27 h PRO 59 N 0.82 0.35 0.00 2.90 0.13 -1.93 -1.44 132.00 132.83 1n27 h PRO 59 Ca -0.44 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1n27 h PRO 59 Cb 1.26 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1n27 h PRO 59 CO 0.50 0.31 -0.14 -0.22 -0.23 0.00 0.00 178.00 178.22 1n27 h LYS 60 N 0.35 0.00 -0.00 0.86 3.64 -1.97 -1.50 116.57 117.95 1n27 h LYS 60 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1n27 h LYS 60 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1n27 h LYS 60 CO -0.01 0.14 -0.02 -0.25 -2.27 0.00 0.00 179.45 177.05 1n27 n ASP 61 N -4.19 0.39 -4.35 4.20 8.00 -0.54 -4.92 116.55 115.13 1n27 n ASP 61 Ca -0.02 -0.97 -0.19 0.00 0.71 0.00 0.00 54.79 54.32 1n27 n ASP 61 Cb 0.22 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.18 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 -2.12 2.54 -0.01 0.64 1.43 -0.56 -3.40 118.68 117.19 1n27 s LEU 62 Ca 0.42 -1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1n27 s LEU 62 Cb 0.21 -0.64 0.01 0.00 0.03 0.00 0.00 46.19 45.81 1n27 s LEU 62 CO 0.39 -0.21 0.02 -0.36 0.23 0.00 0.00 176.35 176.42 1n27 s PHE 63 N -3.01 -0.01 0.14 0.29 0.08 -0.86 -4.96 117.98 109.66 1n27 s PHE 63 Ca 0.23 0.09 -0.31 0.00 0.12 0.00 0.00 56.93 57.05 1n27 s PHE 63 Cb 0.00 -0.08 -0.10 0.00 -0.57 0.00 0.00 43.02 42.28 1n27 s PHE 63 CO 0.07 -0.04 1.58 -1.25 -0.10 0.00 0.00 175.22 175.48 1n27 s PRO 64 N 0.40 4.21 0.11 0.24 0.04 -1.26 -1.10 135.00 137.64 1n27 s PRO 64 Ca -0.03 2.34 -0.34 0.00 0.04 0.00 0.00 61.00 63.01 1n27 s PRO 64 Cb -0.05 -3.28 -0.13 0.00 0.04 0.00 0.00 34.50 31.08 1n27 s PRO 64 CO -0.01 -0.63 1.56 -0.92 0.04 0.00 0.00 177.00 177.04 1n27 h TYR 65 N 7.21 -1.48 0.00 0.56 3.20 -1.59 -2.54 116.97 122.32 1n27 h TYR 65 Ca -0.43 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.48 1n27 h TYR 65 Cb 1.20 0.63 -0.00 0.00 1.54 0.00 0.00 36.73 40.11 1n27 h TYR 65 CO 0.68 -0.58 -0.02 0.87 -1.64 0.00 0.00 178.16 177.47 1n27 h LYS 66 N -0.72 0.00 0.00 1.82 1.57 -1.92 0.54 116.57 117.86 1n27 h LYS 66 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.59 1n27 h LYS 66 Cb 0.74 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1n27 h LYS 66 CO -0.30 0.02 -0.95 1.49 -0.57 0.00 0.00 179.45 179.15 1n27 h GLU 67 N 0.00 0.00 -0.13 3.15 4.22 -1.86 -3.35 114.58 116.61 1n27 h GLU 67 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1n27 h GLU 67 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1n27 h GLU 67 CO 0.00 0.95 0.00 0.66 -2.18 0.00 0.00 179.01 178.44 1n27 n TYR 68 N -3.37 0.17 -0.21 0.92 4.02 -0.32 -4.78 117.16 113.58 1n27 n TYR 68 Ca 0.00 -0.31 -0.03 0.00 -0.01 0.00 0.00 57.90 57.55 1n27 n TYR 68 Cb 0.91 -0.02 0.08 0.00 -0.02 0.00 0.00 39.34 40.29 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 1.23 0.63 0.00 -0.72 3.64 -0.12 0.20 116.57 121.42 1n27 h LYS 69 Ca 0.00 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.11 1n27 h LYS 69 Cb 0.50 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1n27 h LYS 69 CO 0.00 0.41 -1.54 -0.44 -2.27 0.00 0.00 179.45 175.61 1n27 h ASP 70 N 0.64 0.00 -0.28 4.20 3.32 -1.85 -2.02 116.42 120.44 1n27 h ASP 70 Ca 0.27 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 1n27 h ASP 70 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1n27 h ASP 70 CO -0.17 0.80 -0.15 0.50 -1.72 0.00 0.00 179.24 178.50 1n27 h LYS 71 N 0.00 0.59 0.00 3.56 3.64 -1.60 -3.38 116.57 119.39 1n27 h LYS 71 Ca -0.22 -0.27 -0.08 0.00 -1.27 0.00 0.00 60.65 58.82 1n27 h LYS 71 Cb 1.80 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.60 1n27 h LYS 71 CO 0.06 0.84 -1.37 1.19 -2.27 0.00 0.00 179.45 177.90 1n27 n PHE 72 N -4.42 0.00 -1.40 1.91 3.72 0.60 -4.83 117.46 113.05 1n27 n PHE 72 Ca -0.04 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.98 1n27 n PHE 72 Cb 0.38 -0.25 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 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 2.50 4.17 3.11 1.37 0.00 -0.76 -4.85 105.19 110.73 1n27 n GLY 73 Ca -0.07 -1.48 -0.08 0.00 0.00 0.00 0.00 46.02 44.39 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 2.68 0.63 -1.01 1.61 -0.14 -1.26 -4.73 119.74 117.52 1n27 s LYS 74 Ca 0.60 -0.97 -0.20 0.00 -1.36 0.00 0.00 55.97 54.04 1n27 s LYS 74 Cb 0.16 0.24 -0.09 0.00 -1.68 0.00 0.00 37.83 36.46 1n27 s LYS 74 CO -0.06 -0.15 2.00 0.43 -0.76 0.00 0.00 175.35 176.80 1n27 n SER 75 N 0.39 3.04 0.03 2.83 7.64 -1.26 -4.75 113.62 121.53 1n27 n SER 75 Ca -0.17 -2.73 0.11 0.00 1.01 0.00 0.00 58.87 57.09 1n27 n SER 75 Cb 0.60 -1.34 0.46 0.00 -1.01 0.00 0.00 64.21 62.92 1n27 n SER 75 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1n27 n ASN 76 N 7.80 0.18 -2.34 6.43 2.85 -1.26 -4.91 115.26 123.99 1n27 n ASN 76 Ca 0.50 0.53 -0.14 0.00 -0.11 0.00 0.00 54.58 55.35 1n27 n ASN 76 Cb 0.41 -0.57 -0.01 0.00 1.24 0.00 0.00 39.78 40.85 1n27 n ASN 76 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1n27 n LYS 77 N -1.68 -2.03 0.00 1.20 4.81 -1.26 -4.86 118.16 114.34 1n27 n LYS 77 Ca 0.05 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 1n27 n LYS 77 Cb 0.27 -5.30 0.00 0.00 0.02 0.00 0.00 35.03 30.02 1n27 n LYS 77 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1n27 n ARG 78 N -2.78 0.59 -1.54 1.64 5.12 -1.26 -4.92 116.66 113.50 1n27 n ARG 78 Ca -0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 1n27 n ARG 78 Cb 0.62 -1.04 0.00 0.00 -1.16 0.00 0.00 32.46 30.88 1n27 n ARG 78 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1n27 n LYS 79 N -0.41 -4.30 0.00 5.56 4.81 -1.26 -4.76 118.16 117.81 1n27 n LYS 79 Ca 0.00 3.24 0.00 0.00 -0.87 0.00 0.00 58.31 60.68 1n27 n LYS 79 Cb 0.02 -3.78 0.00 0.00 0.02 0.00 0.00 35.03 31.29 1n27 n LYS 79 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n27 n GLY 80 N -1.44 0.61 0.28 3.14 0.00 -1.26 -4.73 105.19 101.79 1n27 n GLY 80 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.08 1.61 3.04 -1.86 0.16 116.94 120.02 1n27 h PHE 81 Ca 0.00 0.00 -0.26 0.00 3.98 0.00 0.00 57.97 61.69 1n27 h PHE 81 Cb 0.00 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 1n27 h PHE 81 CO 0.00 0.03 -1.25 -0.91 -2.02 0.00 0.00 178.31 174.16 1n27 h ASN 82 N 0.06 0.25 0.76 0.41 -0.26 -1.94 -1.88 115.58 112.99 1n27 h ASN 82 Ca 0.05 -0.29 -0.04 0.00 -0.56 0.00 0.00 56.30 55.46 1n27 h ASN 82 Cb 0.13 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 1n27 h ASN 82 CO -0.00 1.23 -0.41 -0.08 -1.06 0.00 0.00 177.43 177.11 1n27 h GLU 83 N 0.04 -1.04 -0.26 0.81 4.81 -1.67 -2.44 114.58 114.83 1n27 h GLU 83 Ca -0.12 0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1n27 h GLU 83 Cb 1.92 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 31.52 1n27 h GLU 83 CO 0.16 -0.69 -0.09 0.78 -0.73 0.00 0.00 179.01 178.44 1n27 h GLY 84 N -1.08 0.46 2.00 1.92 0.00 -1.05 0.28 103.07 105.59 1n27 h GLY 84 Ca -0.10 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1n27 h GLY 84 CO 0.14 0.27 -0.32 1.41 0.00 0.00 0.00 176.54 178.04 1n27 h LEU 85 N 0.40 0.00 -0.02 3.11 3.38 -1.36 -0.58 115.31 120.24 1n27 h LEU 85 Ca 0.08 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 1n27 h LEU 85 Cb 0.41 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.17 1n27 h LEU 85 CO 0.02 0.32 -0.66 -0.25 0.09 0.00 0.00 178.44 177.96 1n27 h TRP 86 N 0.00 0.70 -0.63 1.13 7.01 -0.58 -3.28 115.95 120.30 1n27 h TRP 86 Ca -0.00 -0.37 -0.05 0.00 2.11 0.00 0.00 58.89 60.57 1n27 h TRP 86 Cb 0.58 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.53 1n27 h TRP 86 CO 0.00 1.19 0.18 1.49 -2.79 0.00 0.00 178.44 178.51 1n27 h GLU 87 N 0.02 0.97 -0.08 2.65 4.81 -0.15 -1.74 114.58 121.06 1n27 h GLU 87 Ca -0.08 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 58.84 1n27 h GLU 87 Cb 1.35 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.59 1n27 h GLU 87 CO 0.13 0.84 -0.39 0.97 -0.73 0.00 0.00 179.01 179.84 1n27 h ILE 88 N 0.94 1.41 0.24 2.32 2.10 -1.27 0.60 117.51 123.84 1n27 h ILE 88 Ca 0.21 -1.78 0.01 0.00 1.08 0.00 0.00 64.86 64.38 1n27 h ILE 88 Cb 0.29 2.30 -0.03 0.00 -1.09 0.00 0.00 36.82 38.29 1n27 h ILE 88 CO -0.01 0.52 -0.33 -0.33 -1.08 0.00 0.00 178.15 176.93 1n27 h GLU 89 N -0.06 -0.60 0.00 2.19 5.08 -1.58 -2.08 114.58 117.53 1n27 h GLU 89 Ca -0.03 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1n27 h GLU 89 Cb 1.04 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1n27 h GLU 89 CO 0.08 -0.40 0.00 0.09 -1.00 0.00 0.00 179.01 177.78 1n27 n ASN 90 N -5.43 0.00 0.08 1.42 3.02 -0.67 -2.40 115.26 111.27 1n27 n ASN 90 Ca -0.08 -0.34 -0.18 0.00 -0.03 0.00 0.00 54.58 53.95 1n27 n ASN 90 Cb 0.34 -0.17 -0.14 0.00 -0.61 0.00 0.00 39.78 39.19 1n27 n ASN 90 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1n27 h SER 91 N 0.00 0.47 -3.07 6.41 0.87 -0.17 -3.49 113.55 114.57 1n27 h SER 91 Ca 0.00 -0.63 -0.45 0.00 -1.23 0.00 0.00 61.79 59.48 1n27 h SER 91 Cb 0.13 -0.15 0.06 0.00 -0.44 0.00 0.00 62.40 62.00 1n27 h SER 91 CO 0.00 1.52 0.09 -0.83 -0.53 0.00 0.00 176.83 177.08 1n27 s GLY 92 N -4.93 1.76 -0.20 5.77 0.00 -1.01 -4.98 107.32 103.73 1n27 s GLY 92 Ca -0.10 -1.16 -0.28 0.00 0.00 0.00 0.00 44.72 43.18 1n27 s GLY 92 CO 0.86 -0.81 2.03 2.56 0.00 0.00 0.00 173.10 177.75 1n27 s PRO 93 N -5.00 3.39 0.03 2.90 0.04 -1.26 -4.94 135.00 130.16 1n27 s PRO 93 Ca 0.59 1.95 0.01 0.00 0.04 0.00 0.00 61.00 63.59 1n27 s PRO 93 Cb -0.10 -4.27 -0.02 0.00 0.04 0.00 0.00 34.50 30.15 1n27 s PRO 93 CO 0.42 -1.80 -0.06 0.45 0.04 0.00 0.00 177.00 176.04 1n27 s SER 94 N 6.85 0.62 0.00 6.66 0.15 -1.26 -4.85 113.70 121.87 1n27 s SER 94 Ca 0.91 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1n27 s SER 94 Cb -0.31 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 1n27 s SER 94 CO 0.35 -0.21 0.00 -1.20 1.20 0.00 0.00 173.24 173.38 1n27 n SER 95 N 1.66 -1.20 0.00 5.45 7.64 -1.26 -5.18 113.62 120.73 1n27 n SER 95 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1n27 n SER 95 Cb 0.55 -2.42 0.00 0.00 -1.01 0.00 0.00 64.21 61.33 1n27 n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64