#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 -4.76 -4.58 1.61 3.41 -1.26 -4.90 113.62 103.14 1n27 n SER 2 Ca 0.00 -0.27 -0.49 0.00 -0.26 0.00 0.00 58.87 57.85 1n27 n SER 2 Cb 0.00 -3.91 -0.05 0.00 -0.26 0.00 0.00 64.21 59.99 1n27 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1n27 n SER 3 N -2.32 2.89 0.00 4.04 7.64 -1.26 -4.67 113.62 119.94 1n27 n SER 3 Ca -0.08 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1n27 n SER 3 Cb 0.59 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 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 5.44 -1.63 2.54 0.23 0.00 -1.26 -5.15 105.19 105.36 1n27 n GLY 4 Ca 0.31 0.76 -0.29 0.00 0.00 0.00 0.00 46.02 46.80 1n27 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n27 s SER 5 N 0.00 3.37 -0.31 1.61 0.01 -1.26 -5.08 113.70 112.05 1n27 s SER 5 Ca 0.00 -1.75 -0.01 0.00 1.31 0.00 0.00 55.95 55.50 1n27 s SER 5 Cb 0.00 -0.46 0.10 0.00 0.21 0.00 0.00 66.02 65.87 1n27 s SER 5 CO 0.00 -0.38 0.10 -0.44 0.41 0.00 0.00 173.24 172.93 1n27 s SER 6 N 1.55 3.95 0.00 2.44 0.01 -1.26 -4.92 113.70 115.47 1n27 s SER 6 Ca 0.13 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 55.81 1n27 s SER 6 Cb -0.19 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 65.25 1n27 s SER 6 CO -0.19 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.65 1n27 n GLY 7 N 4.91 0.83 3.24 3.44 0.00 -1.26 -5.13 105.19 111.21 1n27 n GLY 7 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 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 0.35 1.03 0.81 1.61 2.02 -1.26 -5.15 118.70 118.11 1n27 s GLU 8 Ca 0.00 -1.33 -0.07 0.00 0.02 0.00 0.00 54.97 53.60 1n27 s GLU 8 Cb 0.00 -0.77 0.15 0.00 0.10 0.00 0.00 34.13 33.61 1n27 s GLU 8 CO 0.00 0.13 1.11 0.71 0.02 0.00 0.00 175.26 177.23 1n27 s TYR 9 N -2.66 1.67 0.23 1.61 1.51 -1.26 -5.15 117.35 113.31 1n27 s TYR 9 Ca 0.12 -0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.17 1n27 s TYR 9 Cb -0.02 -3.41 -0.04 0.00 -0.11 0.00 0.00 41.96 38.39 1n27 s TYR 9 CO 0.02 -2.03 0.16 -1.59 -1.11 0.00 0.00 175.55 171.00 1n27 s LYS 10 N -5.42 1.34 0.47 -0.62 -2.85 -1.26 -5.09 119.74 106.31 1n27 s LYS 10 Ca 0.69 -1.73 -0.24 0.00 -1.00 0.00 0.00 55.97 53.69 1n27 s LYS 10 Cb -0.05 0.27 -0.07 0.00 -2.06 0.00 0.00 37.83 35.91 1n27 s LYS 10 CO 0.47 -0.45 1.37 0.00 0.10 0.00 0.00 175.35 176.84 1n27 s ALA 11 N -3.98 3.10 0.00 0.59 0.00 -1.26 -2.43 121.76 117.78 1n27 s ALA 11 Ca 0.39 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.70 1n27 s ALA 11 Cb 0.06 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1n27 s ALA 11 CO 0.16 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1n27 n GLY 12 N 0.63 0.46 3.95 0.00 0.00 -0.28 -5.02 105.19 104.93 1n27 n GLY 12 Ca 0.07 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.62 6.34 -0.07 1.61 -1.08 -1.02 -4.99 116.67 114.83 1n27 s ASP 13 Ca 0.00 0.27 0.04 0.00 -0.52 0.00 0.00 52.55 52.34 1n27 s ASP 13 Cb 0.00 -1.95 -0.01 0.00 -1.46 0.00 0.00 42.92 39.50 1n27 s ASP 13 CO 0.00 -0.10 -0.21 -0.76 0.52 0.00 0.00 175.17 174.62 1n27 s LEU 14 N -3.76 2.28 0.25 -1.34 1.43 -1.26 -1.09 118.68 115.19 1n27 s LEU 14 Ca 0.37 -0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 52.95 1n27 s LEU 14 Cb -0.10 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 1n27 s LEU 14 CO 0.31 0.24 0.39 0.68 0.23 0.00 0.00 176.35 178.19 1n27 s VAL 15 N -0.10 0.00 -0.07 -1.59 -7.23 -0.27 -2.34 120.40 108.81 1n27 s VAL 15 Ca -0.05 -1.60 -0.03 0.00 -1.81 0.00 0.00 61.98 58.49 1n27 s VAL 15 Cb -0.14 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1n27 s VAL 15 CO 0.04 0.00 0.08 -0.36 -0.31 0.00 0.00 175.10 174.56 1n27 s PHE 16 N -3.86 3.37 0.28 2.82 0.08 -0.16 -0.87 117.98 119.65 1n27 s PHE 16 Ca 0.28 0.32 0.09 0.00 0.12 0.00 0.00 56.93 57.74 1n27 s PHE 16 Cb 0.01 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 1n27 s PHE 16 CO 0.12 0.60 0.09 0.00 -0.10 0.00 0.00 175.22 175.93 1n27 s ALA 17 N -1.06 3.38 -0.22 5.36 0.00 -0.14 -2.24 121.76 126.84 1n27 s ALA 17 Ca 0.18 -1.64 -0.04 0.00 0.00 0.00 0.00 51.96 50.46 1n27 s ALA 17 Cb -0.12 -0.91 0.09 0.00 0.00 0.00 0.00 23.12 22.18 1n27 s ALA 17 CO 0.08 0.19 0.20 0.21 0.00 0.00 0.00 175.76 176.44 1n27 s LYS 18 N -3.77 0.19 0.55 0.00 2.47 -1.23 -0.46 119.74 117.48 1n27 s LYS 18 Ca 0.34 -0.00 0.03 0.00 -1.56 0.00 0.00 55.97 54.77 1n27 s LYS 18 Cb -0.06 -1.24 0.04 0.00 -1.46 0.00 0.00 37.83 35.12 1n27 s LYS 18 CO 0.22 -0.76 0.77 -1.64 0.16 0.00 0.00 175.35 174.10 1n27 s MET 19 N 2.27 2.46 -0.16 4.03 -1.94 -1.26 -5.01 119.30 119.68 1n27 s MET 19 Ca 0.07 -0.95 -0.36 0.00 -1.71 0.00 0.00 55.69 52.74 1n27 s MET 19 Cb -0.16 -2.52 -0.13 0.00 2.01 0.00 0.00 34.83 34.04 1n27 s MET 19 CO -0.18 -0.75 1.88 1.63 -0.01 0.00 0.00 175.02 177.59 1n27 n LYS 20 N -2.32 1.84 0.00 2.03 4.76 -1.26 -3.37 118.16 119.84 1n27 n LYS 20 Ca 0.09 0.66 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 1n27 n LYS 20 Cb 0.60 -2.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.28 1n27 n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n27 n GLY 21 N 4.54 1.42 3.51 0.72 0.00 -1.26 -4.95 105.19 109.17 1n27 n GLY 21 Ca 0.25 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 1n27 n GLY 21 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n27 n TYR 22 N 0.00 -0.57 -1.46 1.61 4.01 -1.22 -5.03 117.16 114.52 1n27 n TYR 22 Ca 0.00 0.31 -0.30 0.00 -0.16 0.00 0.00 57.90 57.74 1n27 n TYR 22 Cb 0.00 -1.89 0.23 0.00 -0.31 0.00 0.00 39.34 37.37 1n27 n TYR 22 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1n27 s PRO 23 N -3.69 -0.70 -0.78 -0.72 0.04 -1.26 -4.51 135.00 123.37 1n27 s PRO 23 Ca 0.63 -0.34 -0.25 0.00 0.04 0.00 0.00 61.00 61.08 1n27 s PRO 23 Cb -0.25 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1n27 s PRO 23 CO 0.62 -3.32 1.91 -1.01 0.04 0.00 0.00 177.00 175.23 1n27 s HIS 24 N -3.44 1.75 0.04 0.56 3.76 -1.26 -4.38 115.29 112.32 1n27 s HIS 24 Ca 0.74 0.68 -0.24 0.00 -0.15 0.00 0.00 55.06 56.09 1n27 s HIS 24 Cb -0.05 -4.07 -0.06 0.00 1.11 0.00 0.00 32.58 29.51 1n27 s HIS 24 CO 0.55 -1.98 0.73 -0.46 -0.85 0.00 0.00 174.74 172.73 1n27 s TRP 25 N 9.63 3.73 0.11 1.40 -0.11 0.39 -4.81 118.94 129.29 1n27 s TRP 25 Ca 0.69 1.42 -0.31 0.00 1.22 0.00 0.00 56.10 59.12 1n27 s TRP 25 Cb -0.09 -2.77 -0.10 0.00 -1.50 0.00 0.00 33.47 29.01 1n27 s TRP 25 CO 0.08 0.30 1.71 -1.25 -4.62 0.00 0.00 176.95 173.17 1n27 s PRO 26 N -0.14 4.17 0.20 5.86 0.04 -1.26 -0.97 135.00 142.90 1n27 s PRO 26 Ca 0.37 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.86 1n27 s PRO 26 Cb -0.20 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 1n27 s PRO 26 CO 0.22 -0.76 0.08 0.00 0.04 0.00 0.00 177.00 176.59 1n27 s ALA 27 N 2.36 1.28 0.07 8.56 0.00 -0.05 -3.12 121.76 130.86 1n27 s ALA 27 Ca 0.76 -1.68 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1n27 s ALA 27 Cb -0.43 1.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1n27 s ALA 27 CO 0.34 -0.49 -0.09 -0.98 0.00 0.00 0.00 175.76 174.54 1n27 s ARG 28 N -4.06 0.68 -0.60 0.00 1.04 -0.77 -1.11 118.95 114.12 1n27 s ARG 28 Ca 0.33 -0.98 -0.28 0.00 -1.04 0.00 0.00 55.73 53.76 1n27 s ARG 28 Cb 0.07 -0.36 0.03 0.00 -2.04 0.00 0.00 34.95 32.65 1n27 s ARG 28 CO 0.09 0.05 1.20 0.42 -0.04 0.00 0.00 175.30 177.02 1n27 s ILE 29 N -2.07 3.98 0.19 4.99 -1.09 -0.25 -2.23 121.20 124.72 1n27 s ILE 29 Ca -0.02 0.81 -0.01 0.00 -2.23 0.00 0.00 60.65 59.21 1n27 s ILE 29 Cb -0.05 -4.75 0.04 0.00 -1.58 0.00 0.00 42.46 36.11 1n27 s ILE 29 CO -0.01 -1.42 0.26 -0.90 -1.23 0.00 0.00 174.94 171.65 1n27 n ASP 30 N 8.57 0.26 -4.33 3.58 5.75 -1.15 -1.12 116.55 128.11 1n27 n ASP 30 Ca 0.07 -1.24 -0.20 0.00 -0.01 0.00 0.00 54.79 53.41 1n27 n ASP 30 Cb 0.49 -0.18 -0.11 0.00 -1.03 0.00 0.00 41.12 40.29 1n27 n ASP 30 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1n27 s GLU 31 N -3.20 1.28 0.11 0.11 -1.05 -1.26 -4.54 118.70 110.15 1n27 s GLU 31 Ca 0.17 -1.48 -0.30 0.00 -0.15 0.00 0.00 54.97 53.21 1n27 s GLU 31 Cb -0.01 -1.20 -0.06 0.00 -0.44 0.00 0.00 34.13 32.42 1n27 s GLU 31 CO 0.11 0.22 1.01 -0.51 0.95 0.00 0.00 175.26 177.04 1n27 s LEU 32 N -2.94 4.48 0.00 1.83 1.43 -1.26 -5.06 118.68 117.15 1n27 s LEU 32 Ca 0.18 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1n27 s LEU 32 Cb -0.03 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1n27 s LEU 32 CO 0.06 -0.14 0.00 -0.81 0.23 0.00 0.00 176.35 175.70 1n27 n PRO 33 N 2.84 2.49 0.00 1.29 -0.04 -1.26 -5.11 135.00 135.20 1n27 n PRO 33 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1n27 n PRO 33 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 1n27 n PRO 33 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1n27 n GLU 34 N 0.00 2.82 0.00 0.54 2.13 -1.26 -4.74 120.64 120.13 1n27 n GLU 34 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1n27 n GLU 34 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1n27 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n27 n GLY 35 N 1.69 0.22 3.21 8.31 0.00 -1.26 -4.77 105.19 112.60 1n27 n GLY 35 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.50 -5.02 -1.21 4.61 0.00 -1.26 -5.05 120.51 113.08 1n27 n ALA 36 Ca 0.00 -1.55 -0.30 0.00 0.00 0.00 0.00 53.44 51.59 1n27 n ALA 36 Cb 0.04 -0.13 0.13 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.21 2.76 -0.09 0.00 1.01 -1.26 -5.08 120.40 115.53 1n27 s VAL 37 Ca 0.67 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.91 1n27 s VAL 37 Cb -0.11 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1n27 s VAL 37 CO 0.56 -0.32 -0.10 -0.54 0.00 0.00 0.00 175.10 174.70 1n27 s LYS 38 N -4.93 2.92 0.82 2.72 1.02 -1.26 -5.00 119.74 116.03 1n27 s LYS 38 Ca 0.63 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.89 1n27 s LYS 38 Cb -0.18 -2.58 0.08 0.00 -0.52 0.00 0.00 37.83 34.64 1n27 s LYS 38 CO 0.57 0.51 1.09 -1.25 -0.92 0.00 0.00 175.35 175.35 1n27 s PRO 39 N -0.41 1.88 0.58 -1.68 0.04 -1.26 -5.03 135.00 129.12 1n27 s PRO 39 Ca 0.05 0.83 -0.18 0.00 0.04 0.00 0.00 61.00 61.74 1n27 s PRO 39 Cb -0.12 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1n27 s PRO 39 CO 0.02 -1.81 1.14 -1.25 0.04 0.00 0.00 177.00 175.14 1n27 s PRO 40 N -5.02 3.14 -1.46 0.56 0.04 -1.26 -4.90 135.00 126.09 1n27 s PRO 40 Ca 0.62 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 63.11 1n27 s PRO 40 Cb -0.16 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1n27 s PRO 40 CO 0.56 -1.02 2.47 0.00 0.04 0.00 0.00 177.00 179.05 1n27 n ALA 41 N -1.65 6.12 -0.35 8.56 0.00 -1.26 -2.62 120.51 129.31 1n27 n ALA 41 Ca 0.12 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.89 1n27 n ALA 41 Cb 0.51 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 16.49 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 5.23 0.00 -4.10 0.00 3.02 -1.26 -5.16 115.26 112.99 1n27 n ASN 42 Ca 0.61 -0.04 -0.12 0.00 -0.03 0.00 0.00 54.58 55.00 1n27 n ASN 42 Cb 0.33 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.39 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 0.00 0.63 0.05 3.52 1.02 -1.08 -4.21 119.74 119.68 1n27 s LYS 43 Ca 0.00 -0.96 0.02 0.00 0.02 0.00 0.00 55.97 55.05 1n27 s LYS 43 Cb 0.00 -0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.02 1n27 s LYS 43 CO 0.00 0.02 0.06 0.71 -0.92 0.00 0.00 175.35 175.22 1n27 s TYR 44 N -2.19 3.16 0.03 3.18 1.51 0.01 -4.78 117.35 118.28 1n27 s TYR 44 Ca -0.02 0.09 -0.30 0.00 -1.01 0.00 0.00 57.07 55.82 1n27 s TYR 44 Cb -0.04 -1.64 -0.08 0.00 -0.11 0.00 0.00 41.96 40.08 1n27 s TYR 44 CO -0.02 0.51 1.78 -1.25 -1.11 0.00 0.00 175.55 175.46 1n27 s PRO 45 N -2.11 4.17 -0.25 -1.71 0.04 -1.26 -1.72 135.00 132.16 1n27 s PRO 45 Ca 0.26 2.42 0.03 0.00 0.04 0.00 0.00 61.00 63.75 1n27 s PRO 45 Cb -0.12 -3.88 0.05 0.00 0.04 0.00 0.00 34.50 30.60 1n27 s PRO 45 CO 0.18 -0.85 -0.12 0.42 0.04 0.00 0.00 177.00 176.67 1n27 s ILE 46 N 3.60 2.17 -0.07 0.56 -1.09 0.25 -2.91 121.20 123.71 1n27 s ILE 46 Ca 0.79 -1.54 -0.24 0.00 -2.23 0.00 0.00 60.65 57.43 1n27 s ILE 46 Cb -0.40 -2.23 -0.03 0.00 -1.58 0.00 0.00 42.46 38.22 1n27 s ILE 46 CO 0.35 0.05 0.75 0.12 -1.23 0.00 0.00 174.94 174.98 1n27 s PHE 47 N 1.13 3.57 -0.78 3.97 5.36 -0.95 -1.50 117.98 128.78 1n27 s PHE 47 Ca -0.07 1.31 -0.18 0.00 -0.96 0.00 0.00 56.93 57.03 1n27 s PHE 47 Cb -0.19 -2.87 0.14 0.00 -0.34 0.00 0.00 43.02 39.76 1n27 s PHE 47 CO -0.06 0.03 0.90 -0.06 -1.46 0.00 0.00 175.22 174.57 1n27 s PHE 48 N 1.00 3.21 0.61 10.12 0.40 -0.14 -1.85 117.98 131.33 1n27 s PHE 48 Ca 0.39 -1.35 -0.18 0.00 -0.60 0.00 0.00 56.93 55.20 1n27 s PHE 48 Cb -0.18 -4.09 -0.08 0.00 0.51 0.00 0.00 43.02 39.18 1n27 s PHE 48 CO 0.19 -1.32 0.49 1.19 0.70 0.00 0.00 175.22 176.47 1n27 n PHE 49 N 5.93 -0.84 0.00 0.36 3.72 -1.18 -0.86 117.46 124.58 1n27 n PHE 49 Ca 0.09 0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.90 1n27 n PHE 49 Cb 0.46 -1.93 0.00 0.00 -0.94 0.00 0.00 39.48 37.07 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 2.26 0.28 1.37 0.00 -1.26 -4.10 105.19 105.54 1n27 n GLY 50 Ca 0.11 0.01 0.17 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 0.12 -6.62 2.61 1.35 -1.68 -3.46 112.91 105.22 1n27 h THR 51 Ca 0.00 -0.51 -0.53 0.00 -0.55 0.00 0.00 66.41 64.83 1n27 h THR 51 Cb 0.00 1.45 -0.08 0.00 -1.73 0.00 0.00 68.15 67.79 1n27 h THR 51 CO 0.00 0.04 -0.91 1.41 -0.25 0.00 0.00 175.52 175.81 1n27 n HIS 52 N -3.17 -1.56 -3.50 4.73 -0.00 -0.04 -5.02 115.22 106.66 1n27 n HIS 52 Ca -0.00 0.69 -0.22 0.00 -0.00 0.00 0.00 57.72 58.19 1n27 n HIS 52 Cb 0.28 -3.51 -0.01 0.00 -0.00 0.00 0.00 29.99 26.75 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 -6.73 3.31 -0.04 -0.41 2.02 -1.23 -4.96 118.70 110.65 1n27 s GLU 53 Ca 0.03 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.38 1n27 s GLU 53 Cb -0.01 -2.75 0.02 0.00 0.10 0.00 0.00 34.13 31.49 1n27 s GLU 53 CO 0.91 0.13 -0.04 0.95 0.02 0.00 0.00 175.26 177.23 1n27 s THR 54 N -2.23 0.50 0.07 3.63 -4.23 -1.26 -0.97 115.64 111.14 1n27 s THR 54 Ca 0.41 -0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 60.71 1n27 s THR 54 Cb -0.09 -0.52 0.00 0.00 1.34 0.00 0.00 72.50 73.23 1n27 s THR 54 CO 0.33 0.21 0.20 0.00 -0.54 0.00 0.00 174.62 174.82 1n27 s ALA 55 N 0.80 -0.30 -0.45 3.99 0.00 -0.56 -5.00 121.76 120.24 1n27 s ALA 55 Ca -0.10 -0.45 -0.19 0.00 0.00 0.00 0.00 51.96 51.22 1n27 s ALA 55 Cb -0.13 0.39 0.04 0.00 0.00 0.00 0.00 23.12 23.41 1n27 s ALA 55 CO 0.00 -0.44 0.54 -0.06 0.00 0.00 0.00 175.76 175.80 1n27 s PHE 56 N -3.26 3.11 0.06 0.00 0.08 -1.26 -0.58 117.98 116.13 1n27 s PHE 56 Ca 0.00 -0.38 0.07 0.00 0.12 0.00 0.00 56.93 56.75 1n27 s PHE 56 Cb 0.02 -3.20 -0.03 0.00 -0.57 0.00 0.00 43.02 39.24 1n27 s PHE 56 CO -0.08 -0.84 -0.19 -0.51 -0.10 0.00 0.00 175.22 173.50 1n27 s LEU 57 N 2.42 2.21 0.36 -0.37 1.43 -0.70 -4.88 118.68 119.16 1n27 s LEU 57 Ca 0.15 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1n27 s LEU 57 Cb -0.17 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 1n27 s LEU 57 CO 0.14 0.10 0.55 -0.83 0.23 0.00 0.00 176.35 176.54 1n27 s GLY 58 N -1.40 1.42 0.56 -3.19 0.00 -1.26 -0.81 107.32 102.64 1n27 s GLY 58 Ca 0.06 -1.06 0.34 0.00 0.00 0.00 0.00 44.72 44.06 1n27 s GLY 58 CO 0.02 -0.97 2.04 -0.56 0.00 0.00 0.00 173.10 173.64 1n27 h PRO 59 N 0.72 0.00 0.00 2.90 0.13 -1.94 -0.71 132.00 133.10 1n27 h PRO 59 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1n27 h PRO 59 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1n27 h PRO 59 CO 0.59 0.03 0.00 1.63 -0.23 0.00 0.00 178.00 180.02 1n27 n LYS 60 N -3.17 0.20 -0.01 0.86 4.76 -1.26 -1.91 118.16 117.62 1n27 n LYS 60 Ca -0.00 0.41 0.12 0.00 -2.87 0.00 0.00 58.31 55.97 1n27 n LYS 60 Cb 0.27 -1.86 0.16 0.00 -1.84 0.00 0.00 35.03 31.76 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 -2.23 2.83 -4.59 4.39 9.92 -0.27 -5.00 116.55 121.60 1n27 n ASP 61 Ca 0.02 -1.93 -0.24 0.00 -0.53 0.00 0.00 54.79 52.11 1n27 n ASP 61 Cb 0.24 -0.02 -0.08 0.00 -0.64 0.00 0.00 41.12 40.62 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 -1.96 2.97 -0.03 0.64 1.43 -0.80 -3.57 118.68 117.36 1n27 s LEU 62 Ca 0.30 -0.82 -0.07 0.00 -1.03 0.00 0.00 54.13 52.52 1n27 s LEU 62 Cb 0.20 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.96 1n27 s LEU 62 CO 0.31 -0.02 0.15 -0.36 0.23 0.00 0.00 176.35 176.66 1n27 s PHE 63 N -2.41 -0.06 0.17 0.29 0.08 -0.95 -4.96 117.98 110.14 1n27 s PHE 63 Ca 0.31 0.13 -0.31 0.00 0.12 0.00 0.00 56.93 57.18 1n27 s PHE 63 Cb -0.05 0.00 -0.10 0.00 -0.57 0.00 0.00 43.02 42.30 1n27 s PHE 63 CO 0.18 -0.20 1.52 -1.25 -0.10 0.00 0.00 175.22 175.37 1n27 s PRO 64 N -0.75 4.24 0.12 0.24 0.04 -1.26 -0.99 135.00 136.64 1n27 s PRO 64 Ca -0.08 2.31 -0.31 0.00 0.04 0.00 0.00 61.00 62.96 1n27 s PRO 64 Cb -0.05 -3.16 -0.10 0.00 0.04 0.00 0.00 34.50 31.24 1n27 s PRO 64 CO 0.01 -0.55 1.58 -0.92 0.04 0.00 0.00 177.00 177.16 1n27 h TYR 65 N 6.48 -1.29 -0.46 0.56 3.20 -1.74 -2.45 116.97 121.27 1n27 h TYR 65 Ca -0.43 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.50 1n27 h TYR 65 Cb 1.21 0.56 -0.02 0.00 1.54 0.00 0.00 36.73 40.01 1n27 h TYR 65 CO 0.64 -0.52 0.30 0.87 -1.64 0.00 0.00 178.16 177.81 1n27 h LYS 66 N -0.62 0.55 0.31 1.82 1.57 -1.92 0.31 116.57 118.59 1n27 h LYS 66 Ca 0.03 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1n27 h LYS 66 Cb 0.68 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1n27 h LYS 66 CO -0.31 0.37 -0.15 1.49 -0.57 0.00 0.00 179.45 180.27 1n27 h GLU 67 N 0.57 -0.40 -0.15 3.15 4.22 -1.94 -3.34 114.58 116.69 1n27 h GLU 67 Ca 0.18 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.64 1n27 h GLU 67 Cb 0.01 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1n27 h GLU 67 CO -0.04 -0.08 0.00 0.66 -2.18 0.00 0.00 179.01 177.37 1n27 n TYR 68 N -5.08 0.20 -0.34 0.92 4.02 -0.67 -4.37 117.16 111.84 1n27 n TYR 68 Ca -0.08 -0.10 0.02 0.00 -0.01 0.00 0.00 57.90 57.72 1n27 n TYR 68 Cb 0.26 0.00 0.16 0.00 -0.02 0.00 0.00 39.34 39.74 1n27 n TYR 68 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1n27 h LYS 69 N 1.38 1.06 -0.01 -0.72 3.64 -0.55 0.18 116.57 121.56 1n27 h LYS 69 Ca 0.00 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.19 1n27 h LYS 69 Cb 0.31 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1n27 h LYS 69 CO 0.00 0.70 -0.49 -0.44 -2.27 0.00 0.00 179.45 176.95 1n27 h ASP 70 N 1.09 0.45 -0.54 4.20 5.19 -1.86 -2.51 116.42 122.44 1n27 h ASP 70 Ca 0.40 -0.75 -0.09 0.00 -0.62 0.00 0.00 57.03 55.97 1n27 h ASP 70 Cb 0.16 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 1n27 h ASP 70 CO -0.17 1.14 -0.00 0.50 -3.12 0.00 0.00 179.24 177.59 1n27 h LYS 71 N -0.20 0.95 0.00 3.56 3.64 -1.52 -3.36 116.57 119.63 1n27 h LYS 71 Ca -0.06 -0.30 -0.10 0.00 -1.27 0.00 0.00 60.65 58.92 1n27 h LYS 71 Cb 1.20 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1n27 h LYS 71 CO 0.10 0.96 -1.36 1.19 -2.27 0.00 0.00 179.45 178.07 1n27 n PHE 72 N -4.27 0.00 -1.68 1.91 3.72 0.52 -4.81 117.46 112.86 1n27 n PHE 72 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 1n27 n PHE 72 Cb 0.33 -0.26 -0.01 0.00 -0.94 0.00 0.00 39.48 38.60 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 2.73 3.95 2.89 1.37 0.00 -0.94 -4.85 105.19 110.33 1n27 n GLY 73 Ca -0.09 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 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 3.62 0.02 0.35 1.61 -0.14 -1.26 -4.76 119.74 119.18 1n27 s LYS 74 Ca 0.50 0.05 -0.27 0.00 -1.36 0.00 0.00 55.97 54.88 1n27 s LYS 74 Cb 0.13 -0.01 -0.12 0.00 -1.68 0.00 0.00 37.83 36.15 1n27 s LYS 74 CO -0.04 -0.02 1.22 -1.13 -0.76 0.00 0.00 175.35 174.62 1n27 n SER 75 N 3.16 2.37 -4.09 2.83 3.41 -1.26 -5.01 113.62 115.03 1n27 n SER 75 Ca -0.13 1.18 -0.11 0.00 -0.26 0.00 0.00 58.87 59.55 1n27 n SER 75 Cb 0.59 -1.44 -0.11 0.00 -0.26 0.00 0.00 64.21 62.99 1n27 n SER 75 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1n27 s ASN 76 N -0.41 0.79 -1.36 4.04 0.01 -1.26 -5.04 114.94 111.71 1n27 s ASN 76 Ca 0.57 -0.77 -0.14 0.00 -0.71 0.00 0.00 52.86 51.82 1n27 s ASN 76 Cb -0.59 0.09 -0.03 0.00 0.41 0.00 0.00 41.25 41.14 1n27 s ASN 76 CO 0.61 -0.37 2.35 0.29 -1.51 0.00 0.00 177.10 178.47 1n27 n LYS 77 N 0.77 2.80 -3.76 -0.60 5.02 -1.26 -4.77 118.16 116.35 1n27 n LYS 77 Ca -0.18 -2.31 -0.27 0.00 -2.02 0.00 0.00 58.31 53.53 1n27 n LYS 77 Cb 0.58 -3.06 -0.17 0.00 -0.02 0.00 0.00 35.03 32.36 1n27 n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1n27 s ARG 78 N 3.24 0.76 0.64 1.97 1.81 -1.26 -5.12 118.95 120.99 1n27 s ARG 78 Ca 0.53 -0.34 -0.18 0.00 -1.72 0.00 0.00 55.73 54.03 1n27 s ARG 78 Cb 0.15 -1.88 -0.02 0.00 -0.45 0.00 0.00 34.95 32.75 1n27 s ARG 78 CO -0.05 -0.55 1.15 1.63 -0.68 0.00 0.00 175.30 176.81 1n27 n LYS 79 N 5.04 0.99 0.00 3.54 4.01 -1.26 -1.91 118.16 128.56 1n27 n LYS 79 Ca -0.09 0.39 0.00 0.00 -0.51 0.00 0.00 58.31 58.10 1n27 n LYS 79 Cb 0.48 -2.38 0.00 0.00 -0.51 0.00 0.00 35.03 32.62 1n27 n LYS 79 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1n27 n GLY 80 N 1.08 1.40 0.15 0.72 0.00 -1.26 -4.82 105.19 102.46 1n27 n GLY 80 Ca 0.15 0.00 -0.10 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 -0.25 0.00 1.61 3.04 -1.71 -0.55 116.94 119.08 1n27 h PHE 81 Ca 0.00 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 1n27 h PHE 81 Cb 0.00 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 1n27 h PHE 81 CO 0.00 0.12 -0.24 -0.91 -2.02 0.00 0.00 178.31 175.26 1n27 h ASN 82 N -0.94 0.00 -0.61 0.41 -0.26 -1.86 -0.95 115.58 111.37 1n27 h ASN 82 Ca -0.03 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.64 1n27 h ASN 82 Cb 0.48 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.71 1n27 h ASN 82 CO 0.04 0.24 0.09 -0.08 -1.06 0.00 0.00 177.43 176.67 1n27 h GLU 83 N 0.00 1.01 -0.25 0.81 4.81 -1.89 -1.86 114.58 117.21 1n27 h GLU 83 Ca -0.00 -0.27 -0.11 0.00 -0.13 0.00 0.00 59.36 58.84 1n27 h GLU 83 Cb 0.49 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1n27 h GLU 83 CO 0.03 0.95 -0.32 0.78 -0.73 0.00 0.00 179.01 179.72 1n27 h GLY 84 N 0.92 0.57 1.73 1.92 0.00 -0.07 -2.46 103.07 105.68 1n27 h GLY 84 Ca 0.18 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 1n27 h GLY 84 CO 0.01 0.47 -0.05 1.41 0.00 0.00 0.00 176.54 178.38 1n27 h LEU 85 N 0.45 0.31 -0.25 3.11 3.38 -1.01 -2.37 115.31 118.94 1n27 h LEU 85 Ca 0.05 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1n27 h LEU 85 Cb 0.78 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1n27 h LEU 85 CO 0.06 0.41 0.16 -0.25 0.09 0.00 0.00 178.44 178.92 1n27 h TRP 86 N 0.32 0.30 0.61 1.13 7.01 -0.85 -2.56 115.95 121.91 1n27 h TRP 86 Ca 0.07 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 1n27 h TRP 86 Cb 0.31 -0.10 0.01 0.00 -2.10 0.00 0.00 29.16 27.27 1n27 h TRP 86 CO 0.01 0.19 -0.29 0.93 -2.79 0.00 0.00 178.44 176.48 1n27 h GLU 87 N 0.33 -0.79 -0.31 2.65 4.39 -1.40 -2.67 114.58 116.78 1n27 h GLU 87 Ca 0.10 0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.87 1n27 h GLU 87 Cb -0.03 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1n27 h GLU 87 CO -0.03 -0.48 0.21 0.97 -1.16 0.00 0.00 179.01 178.52 1n27 h ILE 88 N -1.04 1.02 0.18 3.13 2.10 -1.44 0.25 117.51 121.71 1n27 h ILE 88 Ca -0.08 -0.11 -0.01 0.00 1.08 0.00 0.00 64.86 65.73 1n27 h ILE 88 Cb 0.68 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 1n27 h ILE 88 CO 0.14 0.06 -0.09 -0.33 -1.08 0.00 0.00 178.15 176.85 1n27 h GLU 89 N 0.33 -0.23 0.00 2.19 5.08 -1.48 -2.99 114.58 117.48 1n27 h GLU 89 Ca 0.12 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1n27 h GLU 89 Cb 0.09 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1n27 h GLU 89 CO -0.03 0.04 0.00 -0.91 -1.00 0.00 0.00 179.01 177.11 1n27 h ASN 90 N -0.49 0.00 -0.05 1.42 2.35 -0.77 -2.78 115.58 115.27 1n27 h ASN 90 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1n27 h ASN 90 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1n27 h ASN 90 CO 0.04 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.62 1n27 n SER 91 N -2.98 0.86 -0.30 5.81 7.64 0.74 -4.91 113.62 120.48 1n27 n SER 91 Ca 0.02 -1.44 0.00 0.00 1.01 0.00 0.00 58.87 58.47 1n27 n SER 91 Cb 0.38 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1n27 n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n27 n GLY 92 N 1.03 4.49 3.56 0.23 0.00 -1.05 -5.03 105.19 108.42 1n27 n GLY 92 Ca 0.18 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 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 0.09 2.98 0.18 1.61 0.04 -1.26 -4.82 135.00 133.83 1n27 s PRO 93 Ca 0.00 -0.31 -0.09 0.00 0.04 0.00 0.00 61.00 60.64 1n27 s PRO 93 Cb 0.00 -4.82 0.08 0.00 0.04 0.00 0.00 34.50 29.79 1n27 s PRO 93 CO 0.00 -2.67 1.66 1.03 0.04 0.00 0.00 177.00 177.06 1n27 h SER 94 N 11.44 1.04 0.00 6.66 0.87 -1.92 -3.49 113.55 128.15 1n27 h SER 94 Ca -0.03 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1n27 h SER 94 Cb 1.05 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1n27 h SER 94 CO 1.29 1.06 0.00 -1.20 -0.53 0.00 0.00 176.83 177.45 1n27 n SER 95 N -4.22 -0.38 0.00 6.23 7.64 -1.26 -5.11 113.62 116.53 1n27 n SER 95 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1n27 n SER 95 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1n27 n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64