#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nlu n SER 2 N 0.00 3.49 -0.05 3.17 3.41 -1.26 -2.40 113.62 119.98 2nlu n SER 2 Ca 0.00 -1.94 -0.05 0.00 -0.26 0.00 0.00 58.87 56.62 2nlu n SER 2 Cb 0.00 -0.67 -0.08 0.00 -0.26 0.00 0.00 64.21 63.19 2nlu n SER 2 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2nlu n ARG 3 N 1.02 2.24 -0.05 4.33 1.85 -1.26 -4.65 116.66 120.14 2nlu n ARG 3 Ca 0.00 -0.01 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 2nlu n ARG 3 Cb 0.43 -1.27 -0.12 0.00 -1.05 0.00 0.00 32.46 30.45 2nlu n ARG 3 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 2nlu h SER 4 N 0.00 -0.00 -3.35 2.89 0.02 -1.94 -3.44 113.55 107.74 2nlu h SER 4 Ca -0.28 -0.79 -0.65 0.00 -0.84 0.00 0.00 61.79 59.24 2nlu h SER 4 Cb 1.62 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.95 2nlu h SER 4 CO 0.02 0.79 -0.67 0.54 -1.14 0.00 0.00 176.83 176.37 2nlu s ASN 5 N -6.01 4.82 -0.16 3.07 4.22 -1.25 -5.01 114.94 114.63 2nlu s ASN 5 Ca -0.18 -0.09 -0.20 0.00 -2.14 0.00 0.00 52.86 50.25 2nlu s ASN 5 Cb -0.01 -1.68 -0.23 0.00 1.28 0.00 0.00 41.25 40.60 2nlu s ASN 5 CO 0.68 0.21 0.44 -0.09 -2.04 0.00 0.00 177.10 176.30 2nlu h ARG 6 N 6.38 0.09 -6.92 3.55 9.65 -1.85 -3.41 114.38 121.88 2nlu h ARG 6 Ca -0.35 -0.16 -0.48 0.00 -1.10 0.00 0.00 59.98 57.89 2nlu h ARG 6 Cb 1.19 0.06 0.06 0.00 -1.39 0.00 0.00 29.97 29.89 2nlu h ARG 6 CO 0.61 1.08 0.02 1.14 2.80 0.00 0.00 179.97 185.62 2nlu s GLN 7 N -2.38 1.90 -0.07 0.20 -2.07 -1.26 -5.07 119.66 110.92 2nlu s GLN 7 Ca -0.24 -1.37 0.04 0.00 -1.82 0.00 0.00 55.36 51.97 2nlu s GLN 7 Cb 0.04 -2.46 0.00 0.00 -1.09 0.00 0.00 33.01 29.49 2nlu s GLN 7 CO 0.68 -1.23 -0.19 0.15 -1.32 0.00 0.00 175.29 173.38 2nlu s LYS 8 N -4.95 2.20 -0.25 9.60 1.02 -1.26 -5.11 119.74 120.98 2nlu s LYS 8 Ca 0.65 -0.66 -0.10 0.00 0.02 0.00 0.00 55.97 55.87 2nlu s LYS 8 Cb -0.05 -1.79 -0.05 0.00 -0.52 0.00 0.00 37.83 35.42 2nlu s LYS 8 CO 0.42 0.18 0.16 -2.00 -0.92 0.00 0.00 175.35 173.20 2nlu s GLU 9 N 0.27 4.01 0.12 1.68 2.56 -1.26 -5.07 118.70 121.01 2nlu s GLU 9 Ca -0.11 -0.30 0.10 0.00 0.00 0.00 0.00 54.97 54.66 2nlu s GLU 9 Cb -0.15 -3.56 -0.04 0.00 2.00 0.00 0.00 34.13 32.38 2nlu s GLU 9 CO 0.05 -0.02 -0.24 0.71 -0.56 0.00 0.00 175.26 175.20 2nlu s TYR 10 N 1.29 2.07 0.37 5.30 2.02 -1.26 -5.16 117.35 121.99 2nlu s TYR 10 Ca 0.07 -0.40 0.06 0.00 -0.37 0.00 0.00 57.07 56.43 2nlu s TYR 10 Cb -0.14 -1.12 -0.07 0.00 -0.40 0.00 0.00 41.96 40.22 2nlu s TYR 10 CO 0.06 0.29 0.03 0.15 -1.57 0.00 0.00 175.55 174.51 2nlu s LYS 11 N -2.04 1.82 -0.39 -0.62 3.01 -1.26 -5.04 119.74 115.23 2nlu s LYS 11 Ca 0.11 -2.02 -0.39 0.00 -1.01 0.00 0.00 55.97 52.65 2nlu s LYS 11 Cb -0.10 -1.31 -0.15 0.00 -1.01 0.00 0.00 37.83 35.27 2nlu s LYS 11 CO 0.05 -0.11 2.08 0.00 0.51 0.00 0.00 175.35 177.88 2nlu n GLY 13 N 6.37 0.80 3.99 0.00 0.00 -1.10 -4.99 105.19 110.26 2nlu n GLY 13 Ca 0.43 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.24 2nlu n GLY 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nlu s ASP 14 N -0.78 5.19 -0.02 1.61 1.11 -0.88 -4.95 116.67 117.95 2nlu s ASP 14 Ca 0.00 -0.24 0.03 0.00 0.18 0.00 0.00 52.55 52.53 2nlu s ASP 14 Cb 0.00 -0.57 -0.00 0.00 1.07 0.00 0.00 42.92 43.41 2nlu s ASP 14 CO 0.00 -1.20 -0.11 -0.22 1.18 0.00 0.00 175.17 174.82 2nlu s LEU 15 N -4.73 1.93 0.08 1.23 1.98 -1.26 -1.10 118.68 116.82 2nlu s LEU 15 Ca 0.59 -0.21 -0.05 0.00 -2.89 0.00 0.00 54.13 51.56 2nlu s LEU 15 Cb -0.09 -0.60 -0.02 0.00 0.66 0.00 0.00 46.19 46.14 2nlu s LEU 15 CO 0.38 0.12 0.11 0.68 -1.89 0.00 0.00 176.35 175.74 2nlu s VAL 16 N -0.09 0.17 -0.60 1.68 -7.23 -0.94 -4.96 120.40 108.43 2nlu s VAL 16 Ca 0.01 -1.46 -0.23 0.00 -1.81 0.00 0.00 61.98 58.49 2nlu s VAL 16 Cb -0.06 -1.47 0.06 0.00 0.56 0.00 0.00 36.38 35.47 2nlu s VAL 16 CO 0.00 -0.75 0.93 -0.36 -0.31 0.00 0.00 175.10 174.61 2nlu s PHE 17 N -3.90 2.75 0.08 2.82 0.08 -1.26 -0.28 117.98 118.27 2nlu s PHE 17 Ca 0.07 -0.30 -0.25 0.00 0.12 0.00 0.00 56.93 56.57 2nlu s PHE 17 Cb 0.06 -4.14 -0.06 0.00 -0.57 0.00 0.00 43.02 38.31 2nlu s PHE 17 CO -0.09 -1.48 0.77 0.00 -0.10 0.00 0.00 175.22 174.32 2nlu s ALA 18 N 3.94 3.39 -0.37 5.36 0.00 0.13 -4.66 121.76 129.54 2nlu s ALA 18 Ca 0.25 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.41 2nlu s ALA 18 Cb -0.15 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 20.01 2nlu s ALA 18 CO 0.14 0.13 0.20 0.21 0.00 0.00 0.00 175.76 176.44 2nlu s LYS 19 N -0.35 2.81 0.25 0.00 2.20 -1.26 -1.05 119.74 122.35 2nlu s LYS 19 Ca 0.38 -1.09 0.08 0.00 -0.36 0.00 0.00 55.97 54.98 2nlu s LYS 19 Cb -0.21 -3.73 -0.04 0.00 -1.51 0.00 0.00 37.83 32.34 2nlu s LYS 19 CO 0.24 -0.70 0.14 1.41 -0.36 0.00 0.00 175.35 176.08 2nlu s MET 20 N 1.55 2.77 -0.16 4.03 -2.45 -0.81 -5.01 119.30 119.21 2nlu s MET 20 Ca 0.02 -1.13 -0.29 0.00 -1.25 0.00 0.00 55.69 53.03 2nlu s MET 20 Cb -0.19 -2.47 -0.04 0.00 1.25 0.00 0.00 34.83 33.38 2nlu s MET 20 CO 0.07 0.40 1.79 0.21 1.05 0.00 0.00 175.02 178.54 2nlu s LYS 21 N -3.76 3.75 0.00 4.11 2.47 -1.26 -0.87 119.74 124.18 2nlu s LYS 21 Ca 0.32 1.93 0.00 0.00 -1.56 0.00 0.00 55.97 56.66 2nlu s LYS 21 Cb -0.08 -4.12 0.00 0.00 -1.46 0.00 0.00 37.83 32.17 2nlu s LYS 21 CO 0.24 -1.36 0.00 0.41 0.16 0.00 0.00 175.35 174.79 2nlu n GLY 22 N 4.82 0.31 2.94 5.54 0.00 -1.26 -5.05 105.19 112.49 2nlu n GLY 22 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 2nlu n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nlu s TYR 23 N -2.10 1.57 0.00 1.61 2.02 -0.05 -5.10 117.35 115.30 2nlu s TYR 23 Ca 0.00 -0.77 0.00 0.00 -0.37 0.00 0.00 57.07 55.93 2nlu s TYR 23 Cb 0.00 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.31 2nlu s TYR 23 CO 0.00 -0.49 0.10 -2.30 -1.57 0.00 0.00 175.55 171.28 2nlu n PRO 24 N 4.71 0.00 -3.37 -1.71 -0.02 -1.26 -1.92 135.00 131.43 2nlu n PRO 24 Ca -0.15 0.02 -0.16 0.00 -2.02 0.00 0.00 63.50 61.19 2nlu n PRO 24 Cb 0.50 -0.60 -0.08 0.00 -0.02 0.00 0.00 33.50 33.31 2nlu n PRO 24 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2nlu s HIS 25 N -0.19 -0.42 -0.12 6.00 3.76 -1.25 -4.13 115.29 118.93 2nlu s HIS 25 Ca 0.00 -0.53 -0.08 0.00 -0.15 0.00 0.00 55.06 54.30 2nlu s HIS 25 Cb 0.00 -0.39 -0.04 0.00 1.11 0.00 0.00 32.58 33.25 2nlu s HIS 25 CO 0.00 -0.96 0.15 -0.46 -0.85 0.00 0.00 174.74 172.62 2nlu s TRP 26 N 1.79 3.59 -0.46 1.40 -0.11 -0.21 -4.74 118.94 120.21 2nlu s TRP 26 Ca 0.14 0.54 -0.27 0.00 1.22 0.00 0.00 56.10 57.73 2nlu s TRP 26 Cb -0.14 -1.97 -0.07 0.00 -1.50 0.00 0.00 33.47 29.78 2nlu s TRP 26 CO -0.14 0.70 2.39 -2.30 -4.62 0.00 0.00 176.95 172.98 2nlu n PRO 27 N 2.09 1.17 -4.90 5.86 -0.02 -1.26 0.19 135.00 138.13 2nlu n PRO 27 Ca -0.19 0.09 -0.27 0.00 -2.02 0.00 0.00 63.50 61.11 2nlu n PRO 27 Cb 0.55 -3.34 -0.16 0.00 -0.02 0.00 0.00 33.50 30.52 2nlu n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nlu s ALA 28 N 11.41 1.64 -0.05 3.55 0.00 0.62 -4.94 121.76 133.99 2nlu s ALA 28 Ca 1.00 -0.73 -0.26 0.00 0.00 0.00 0.00 51.96 51.98 2nlu s ALA 28 Cb -0.25 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 2nlu s ALA 28 CO 0.29 0.27 0.79 0.50 0.00 0.00 0.00 175.76 177.61 2nlu s ARG 29 N 0.13 4.47 0.26 0.00 3.52 -1.26 -2.20 118.95 123.87 2nlu s ARG 29 Ca -0.07 1.05 -0.30 0.00 -0.13 0.00 0.00 55.73 56.29 2nlu s ARG 29 Cb -0.13 -3.46 -0.09 0.00 -1.56 0.00 0.00 34.95 29.71 2nlu s ARG 29 CO 0.03 0.01 1.11 -1.50 -0.81 0.00 0.00 175.30 174.15 2nlu s ILE 30 N 0.92 3.51 0.29 4.11 -1.16 -0.26 -4.98 121.20 123.62 2nlu s ILE 30 Ca 0.42 1.48 -0.04 0.00 -0.51 0.00 0.00 60.65 62.00 2nlu s ILE 30 Cb -0.19 -3.94 -0.01 0.00 0.61 0.00 0.00 42.46 38.93 2nlu s ILE 30 CO 0.21 0.34 0.39 -0.62 -2.81 0.00 0.00 174.94 172.44 2nlu s ASP 31 N -0.72 0.53 -0.27 4.50 2.15 -1.26 -2.71 116.67 118.89 2nlu s ASP 31 Ca 0.46 -1.33 -0.15 0.00 0.43 0.00 0.00 52.55 51.96 2nlu s ASP 31 Cb -0.32 0.57 0.08 0.00 -0.30 0.00 0.00 42.92 42.95 2nlu s ASP 31 CO 0.40 -1.14 0.65 -1.83 -0.17 0.00 0.00 175.17 173.09 2nlu s GLU 32 N -3.59 0.67 -0.01 4.34 -1.05 -1.26 -4.75 118.70 113.05 2nlu s GLU 32 Ca 0.31 1.18 0.01 0.00 -0.15 0.00 0.00 54.97 56.32 2nlu s GLU 32 Cb 0.01 0.13 0.01 0.00 -0.44 0.00 0.00 34.13 33.84 2nlu s GLU 32 CO 0.16 -0.15 -0.03 -1.64 0.95 0.00 0.00 175.26 174.55 2nlu s MET 33 N 1.63 0.32 0.29 -4.83 -1.94 -1.26 -4.99 119.30 108.51 2nlu s MET 33 Ca -0.10 -0.08 -0.30 0.00 -1.71 0.00 0.00 55.69 53.50 2nlu s MET 33 Cb -0.06 -0.35 -0.11 0.00 2.01 0.00 0.00 34.83 36.32 2nlu s MET 33 CO -0.19 0.02 1.61 -2.14 -0.01 0.00 0.00 175.02 174.32 2nlu s PRO 34 N 0.21 4.11 0.00 2.03 0.02 -1.26 -1.06 135.00 139.05 2nlu s PRO 34 Ca -0.02 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.60 2nlu s PRO 34 Cb -0.05 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.45 2nlu s PRO 34 CO -0.00 -0.66 0.00 -1.91 -0.33 0.00 0.00 177.00 174.10 2nlu n GLU 35 N 2.29 0.00 0.02 5.54 2.13 0.18 -4.40 120.64 126.41 2nlu n GLU 35 Ca 0.09 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.85 2nlu n GLU 35 Cb 0.37 -0.04 0.13 0.00 0.27 0.00 0.00 31.44 32.17 2nlu n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nlu h ALA 36 N 0.00 0.91 0.00 4.31 0.00 -2.02 -3.42 119.26 119.03 2nlu h ALA 36 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2nlu h ALA 36 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2nlu h ALA 36 CO 0.00 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.89 2nlu n ALA 37 N -2.49 3.00 -2.43 0.00 0.00 -0.35 -5.01 120.51 113.23 2nlu n ALA 37 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 2nlu n ALA 37 Cb 0.52 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 2nlu n ALA 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2nlu s VAL 38 N -1.60 4.93 0.57 0.00 -7.23 -0.23 -4.97 120.40 111.88 2nlu s VAL 38 Ca 0.00 0.70 0.06 0.00 -1.81 0.00 0.00 61.98 60.93 2nlu s VAL 38 Cb 0.00 -3.70 0.07 0.00 0.56 0.00 0.00 36.38 33.31 2nlu s VAL 38 CO 0.00 0.24 0.79 -0.54 -0.31 0.00 0.00 175.10 175.28 2nlu s LYS 39 N -1.98 2.30 -0.55 4.82 1.02 -1.26 0.51 119.74 124.59 2nlu s LYS 39 Ca 0.37 -1.34 0.04 0.00 0.02 0.00 0.00 55.97 55.07 2nlu s LYS 39 Cb -0.14 -2.58 0.17 0.00 -0.52 0.00 0.00 37.83 34.75 2nlu s LYS 39 CO 0.19 -0.85 0.40 0.45 -0.92 0.00 0.00 175.35 174.62 2nlu s SER 40 N -4.59 3.20 0.05 2.83 0.15 -1.26 -4.87 113.70 109.21 2nlu s SER 40 Ca 0.61 -3.40 -0.02 0.00 0.70 0.00 0.00 55.95 53.84 2nlu s SER 40 Cb -0.07 -1.04 -0.03 0.00 -1.71 0.00 0.00 66.02 63.17 2nlu s SER 40 CO 0.39 -0.14 0.01 0.28 1.20 0.00 0.00 173.24 174.98 2nlu s THR 41 N -0.62 0.18 0.00 6.45 -1.32 -1.26 -5.03 115.64 114.03 2nlu s THR 41 Ca 0.28 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.31 2nlu s THR 41 Cb -0.02 -1.15 0.00 0.00 -1.51 0.00 0.00 72.50 69.82 2nlu s THR 41 CO -0.17 -0.80 0.00 0.00 -2.21 0.00 0.00 174.62 171.45 2nlu n ALA 42 N 0.50 1.91 0.00 11.08 0.00 -1.26 -5.02 120.51 127.72 2nlu n ALA 42 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2nlu n ALA 42 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2nlu n ALA 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2nlu n ASN 43 N -1.19 0.00 -3.83 0.00 4.13 -1.26 -4.67 115.26 108.44 2nlu n ASN 43 Ca 0.00 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.04 2nlu n ASN 43 Cb 0.00 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.07 2nlu n ASN 43 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2nlu s LYS 44 N 0.00 0.79 0.19 3.52 2.20 -1.26 -4.55 119.74 120.63 2nlu s LYS 44 Ca 0.00 -0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.60 2nlu s LYS 44 Cb 0.00 -0.98 0.04 0.00 -1.51 0.00 0.00 37.83 35.38 2nlu s LYS 44 CO 0.00 -0.21 0.26 0.66 -0.36 0.00 0.00 175.35 175.70 2nlu n TYR 45 N 4.68 -3.10 -3.66 4.03 4.01 -0.37 -4.86 117.16 117.89 2nlu n TYR 45 Ca -0.15 -0.52 -0.36 0.00 -0.16 0.00 0.00 57.90 56.72 2nlu n TYR 45 Cb 0.50 -0.18 -0.08 0.00 -0.31 0.00 0.00 39.34 39.27 2nlu n TYR 45 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 2nlu s GLN 46 N -2.99 4.18 -0.34 -0.72 0.74 -1.26 -1.42 119.66 117.85 2nlu s GLN 46 Ca 0.18 -0.14 -0.06 0.00 0.05 0.00 0.00 55.36 55.39 2nlu s GLN 46 Cb -0.01 -3.45 0.05 0.00 1.10 0.00 0.00 33.01 30.70 2nlu s GLN 46 CO 0.12 0.23 0.11 0.08 -0.55 0.00 0.00 175.29 175.27 2nlu s VAL 47 N 0.55 3.71 -0.42 1.34 1.01 0.14 -4.81 120.40 121.92 2nlu s VAL 47 Ca 0.10 -1.21 -0.20 0.00 0.00 0.00 0.00 61.98 60.68 2nlu s VAL 47 Cb -0.12 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.15 2nlu s VAL 47 CO 0.01 -0.21 0.60 0.12 0.00 0.00 0.00 175.10 175.62 2nlu s PHE 48 N 1.38 3.09 -0.38 5.22 5.36 -1.26 -0.09 117.98 131.30 2nlu s PHE 48 Ca -0.01 -0.06 -0.27 0.00 -0.96 0.00 0.00 56.93 55.62 2nlu s PHE 48 Cb -0.20 -3.24 -0.06 0.00 -0.34 0.00 0.00 43.02 39.18 2nlu s PHE 48 CO 0.02 -0.81 2.34 1.19 -1.46 0.00 0.00 175.22 176.50 2nlu n PHE 49 N 6.11 1.65 -0.01 10.12 3.01 0.13 -4.83 117.46 133.64 2nlu n PHE 49 Ca -0.03 0.02 -0.12 0.00 1.01 0.00 0.00 57.45 58.33 2nlu n PHE 49 Cb 0.48 -2.67 -0.08 0.00 -0.01 0.00 0.00 39.48 37.20 2nlu n PHE 49 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 2nlu h PHE 50 N 17.49 0.10 0.09 1.38 3.57 -1.94 0.39 116.94 138.02 2nlu h PHE 50 Ca -0.31 -0.02 -0.27 0.00 3.53 0.00 0.00 57.97 60.90 2nlu h PHE 50 Cb 1.26 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.99 2nlu h PHE 50 CO 0.95 0.37 -1.16 0.78 -2.23 0.00 0.00 178.31 177.02 2nlu h GLY 51 N -0.20 0.52 2.00 2.40 0.00 -1.88 -3.26 103.07 102.65 2nlu h GLY 51 Ca 0.02 -1.09 -0.01 0.00 0.00 0.00 0.00 47.33 46.24 2nlu h GLY 51 CO 0.00 0.96 -0.05 -0.84 0.00 0.00 0.00 176.54 176.61 2nlu h THR 52 N 0.20 0.10 -4.41 4.70 2.02 -1.68 -3.41 112.91 110.43 2nlu h THR 52 Ca -0.14 -1.10 -0.27 0.00 0.77 0.00 0.00 66.41 65.67 2nlu h THR 52 Cb 1.84 2.01 0.10 0.00 -1.74 0.00 0.00 68.15 70.36 2nlu h THR 52 CO 0.21 0.05 -0.49 1.57 0.37 0.00 0.00 175.52 177.23 2nlu n HIS 53 N -3.12 -1.91 -4.48 3.16 -0.00 0.13 -5.03 115.22 103.98 2nlu n HIS 53 Ca 0.04 0.70 -0.23 0.00 0.46 0.00 0.00 57.72 58.68 2nlu n HIS 53 Cb 0.54 -3.89 -0.09 0.00 -0.12 0.00 0.00 29.99 26.42 2nlu n HIS 53 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2nlu s GLU 54 N -5.70 1.78 -0.03 1.57 2.02 -0.90 -4.96 118.70 112.47 2nlu s GLU 54 Ca 0.32 -2.04 0.05 0.00 0.02 0.00 0.00 54.97 53.32 2nlu s GLU 54 Cb -0.14 -0.75 -0.01 0.00 0.10 0.00 0.00 34.13 33.33 2nlu s GLU 54 CO 0.51 -0.33 -0.18 0.99 0.02 0.00 0.00 175.26 176.27 2nlu s THR 55 N -3.27 1.47 0.31 3.63 2.01 -1.26 0.19 115.64 118.72 2nlu s THR 55 Ca 0.30 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2nlu s THR 55 Cb 0.06 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 2nlu s THR 55 CO 0.14 0.42 0.35 0.00 -0.69 0.00 0.00 174.62 174.85 2nlu s ALA 56 N -0.14 1.11 -0.23 7.40 0.00 0.86 -4.94 121.76 125.82 2nlu s ALA 56 Ca 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.30 2nlu s ALA 56 Cb -0.10 1.29 0.06 0.00 0.00 0.00 0.00 23.12 24.37 2nlu s ALA 56 CO 0.01 -0.72 -0.07 -0.06 0.00 0.00 0.00 175.76 174.92 2nlu s PHE 57 N -3.44 2.61 0.05 0.00 0.08 -1.26 0.27 117.98 116.29 2nlu s PHE 57 Ca 0.35 -1.87 -0.05 0.00 0.12 0.00 0.00 56.93 55.48 2nlu s PHE 57 Cb 0.02 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 2nlu s PHE 57 CO 0.20 -0.80 0.07 -0.51 -0.10 0.00 0.00 175.22 174.09 2nlu s LEU 58 N 1.32 1.95 0.00 -0.37 1.43 -0.51 -4.86 118.68 117.64 2nlu s LEU 58 Ca -0.06 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 2nlu s LEU 58 Cb -0.19 0.54 0.02 0.00 0.03 0.00 0.00 46.19 46.59 2nlu s LEU 58 CO -0.06 -0.56 0.15 0.61 0.23 0.00 0.00 176.35 176.72 2nlu n GLY 59 N 0.50 2.88 0.26 -3.19 0.00 -1.26 -1.24 105.19 103.14 2nlu n GLY 59 Ca -0.17 -2.21 0.10 0.00 0.00 0.00 0.00 46.02 43.73 2nlu n GLY 59 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2nlu h PRO 60 N 0.00 0.00 -0.00 1.61 0.11 -1.91 -0.52 132.00 131.29 2nlu h PRO 60 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2nlu h PRO 60 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 2nlu h PRO 60 CO 0.19 0.09 -0.01 1.17 -0.21 0.00 0.00 178.00 179.23 2nlu n LYS 61 N -4.11 0.21 -0.25 1.05 4.81 -1.26 -2.09 118.16 116.52 2nlu n LYS 61 Ca -0.03 -0.01 0.08 0.00 -0.87 0.00 0.00 58.31 57.49 2nlu n LYS 61 Cb 0.17 -1.50 0.22 0.00 0.02 0.00 0.00 35.03 33.94 2nlu n LYS 61 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2nlu n ASP 62 N -1.39 3.32 -4.06 3.14 8.00 -0.22 -4.96 116.55 120.38 2nlu n ASP 62 Ca 0.10 -1.99 -0.25 0.00 0.71 0.00 0.00 54.79 53.36 2nlu n ASP 62 Cb 0.29 -0.33 -0.16 0.00 -0.02 0.00 0.00 41.12 40.90 2nlu n ASP 62 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2nlu s LEU 63 N -1.01 1.76 0.10 0.64 2.96 -0.89 -4.86 118.68 117.37 2nlu s LEU 63 Ca 0.33 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.99 2nlu s LEU 63 Cb 0.17 -0.89 -0.03 0.00 0.50 0.00 0.00 46.19 45.94 2nlu s LEU 63 CO 0.23 0.07 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.78 2nlu s PHE 64 N 0.46 1.67 0.44 5.38 0.08 -1.26 -4.91 117.98 119.84 2nlu s PHE 64 Ca -0.12 -0.43 -0.25 0.00 0.12 0.00 0.00 56.93 56.25 2nlu s PHE 64 Cb -0.15 -0.91 -0.09 0.00 -0.57 0.00 0.00 43.02 41.30 2nlu s PHE 64 CO 0.04 0.18 1.32 -2.30 -0.10 0.00 0.00 175.22 174.36 2nlu n PRO 65 N 1.07 2.00 0.01 0.24 -0.02 -1.26 -4.94 135.00 132.10 2nlu n PRO 65 Ca -0.19 0.71 0.11 0.00 -2.02 0.00 0.00 63.50 62.11 2nlu n PRO 65 Cb 0.54 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 2nlu n PRO 65 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2nlu n TYR 66 N -0.28 0.10 -0.05 6.00 4.11 -1.26 -2.27 117.16 123.52 2nlu n TYR 66 Ca 0.06 0.03 -0.21 0.00 -0.00 0.00 0.00 57.90 57.78 2nlu n TYR 66 Cb 0.40 -0.29 -0.13 0.00 -0.00 0.00 0.00 39.34 39.33 2nlu n TYR 66 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 2nlu n GLU 67 N -1.85 0.69 -0.06 -3.48 2.13 -1.26 -3.93 120.64 112.88 2nlu n GLU 67 Ca 0.01 0.29 -0.08 0.00 0.66 0.00 0.00 57.16 58.04 2nlu n GLU 67 Cb 0.43 -1.66 -0.07 0.00 0.27 0.00 0.00 31.44 30.40 2nlu n GLU 67 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2nlu h GLU 68 N -0.19 0.00 0.00 5.31 4.22 -1.98 -3.36 114.58 118.58 2nlu h GLU 68 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.97 2nlu h GLU 68 Cb 1.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.11 2nlu h GLU 68 CO -0.03 0.55 0.00 0.77 -2.18 0.00 0.00 179.01 178.12 2nlu h SER 69 N -1.00 0.00 -0.79 1.04 0.02 -1.73 -2.99 113.55 108.10 2nlu h SER 69 Ca -0.02 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.04 2nlu h SER 69 Cb 0.59 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.06 2nlu h SER 69 CO -0.01 0.00 0.42 0.50 -1.14 0.00 0.00 176.83 176.59 2nlu h LYS 70 N 0.00 0.65 0.00 3.45 3.64 -1.68 0.47 116.57 123.11 2nlu h LYS 70 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2nlu h LYS 70 Cb 0.78 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2nlu h LYS 70 CO 0.00 0.43 0.00 0.93 -2.27 0.00 0.00 179.45 178.54 2nlu h GLU 71 N 0.67 0.00 0.00 1.90 4.39 -1.68 -0.34 114.58 119.53 2nlu h GLU 71 Ca 0.39 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.89 2nlu h GLU 71 Cb 0.44 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2nlu h GLU 71 CO -0.28 0.00 -0.96 -0.22 -1.16 0.00 0.00 179.01 176.38 2nlu h LYS 72 N 0.00 0.00 0.00 2.33 3.64 -0.96 -3.31 116.57 118.27 2nlu h LYS 72 Ca 0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 2nlu h LYS 72 Cb 0.72 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 2nlu h LYS 72 CO 0.00 0.96 -2.23 1.19 -2.27 0.00 0.00 179.45 177.10 2nlu n PHE 73 N -3.37 0.00 -4.05 1.91 3.72 -0.78 -5.02 117.46 109.87 2nlu n PHE 73 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 2nlu n PHE 73 Cb 0.92 -0.87 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 2nlu n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nlu n GLY 74 N 2.02 -0.24 2.63 1.37 0.00 -0.14 -4.95 105.19 105.87 2nlu n GLY 74 Ca -0.31 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 2nlu n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nlu s LYS 75 N -6.73 0.20 0.55 1.61 -2.85 -1.26 -5.10 119.74 106.15 2nlu s LYS 75 Ca 0.13 -0.25 0.05 0.00 -1.00 0.00 0.00 55.97 54.89 2nlu s LYS 75 Cb -0.07 -1.18 0.05 0.00 -2.06 0.00 0.00 37.83 34.58 2nlu s LYS 75 CO 0.91 -0.90 0.75 -1.25 0.10 0.00 0.00 175.35 174.96 2nlu s PRO 76 N 2.20 2.43 2.03 1.78 0.04 -1.26 -5.04 135.00 137.18 2nlu s PRO 76 Ca 0.08 -1.15 0.00 0.00 0.04 0.00 0.00 61.00 59.97 2nlu s PRO 76 Cb -0.15 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2nlu s PRO 76 CO -0.27 -0.74 0.00 0.09 0.04 0.00 0.00 177.00 176.12 2nlu n ASN 77 N -2.26 -3.41 0.00 6.66 3.02 -1.26 -4.85 115.26 113.16 2nlu n ASN 77 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2nlu n ASN 77 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 2nlu n ASN 77 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2nlu n LYS 78 N -0.90 0.00 -4.01 3.52 4.76 -1.26 -4.75 118.16 115.52 2nlu n LYS 78 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 2nlu n LYS 78 Cb 0.00 -0.17 -0.15 0.00 -1.84 0.00 0.00 35.03 32.87 2nlu n LYS 78 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2nlu s ARG 79 N 0.00 3.25 0.08 1.97 1.81 -1.26 -5.02 118.95 119.79 2nlu s ARG 79 Ca 0.00 -0.69 -0.21 0.00 -1.72 0.00 0.00 55.73 53.11 2nlu s ARG 79 Cb 0.00 -2.85 -0.11 0.00 -0.45 0.00 0.00 34.95 31.54 2nlu s ARG 79 CO 0.00 -0.19 1.63 -0.22 -0.68 0.00 0.00 175.30 175.84 2nlu h LYS 80 N 8.01 0.22 0.00 3.54 3.64 -1.98 0.22 116.57 130.21 2nlu h LYS 80 Ca -0.42 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 2nlu h LYS 80 Cb 1.16 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2nlu h LYS 80 CO 0.61 0.30 -0.07 0.78 -2.27 0.00 0.00 179.45 178.81 2nlu h GLY 81 N 0.09 0.00 0.00 5.01 0.00 -1.96 0.21 103.07 106.43 2nlu h GLY 81 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2nlu h GLY 81 CO -0.00 0.00 -0.13 -2.75 0.00 0.00 0.00 176.54 173.66 2nlu h PHE 82 N 0.00 0.00 -0.06 5.60 3.57 -1.73 -2.95 116.94 121.37 2nlu h PHE 82 Ca -0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2nlu h PHE 82 Cb 0.30 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 2nlu h PHE 82 CO 0.00 1.02 0.02 0.77 -2.23 0.00 0.00 178.31 177.89 2nlu h SER 83 N -1.00 0.08 0.00 0.41 0.02 -0.09 0.88 113.55 113.86 2nlu h SER 83 Ca -0.03 -0.17 -0.13 0.00 -0.84 0.00 0.00 61.79 60.61 2nlu h SER 83 Cb 1.00 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2nlu h SER 83 CO -0.02 0.23 -0.41 -0.33 -1.14 0.00 0.00 176.83 175.16 2nlu h GLU 84 N -0.07 0.51 -0.19 3.45 3.07 -0.78 0.40 114.58 120.97 2nlu h GLU 84 Ca 0.02 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 58.60 2nlu h GLU 84 Cb 0.18 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 2nlu h GLU 84 CO -0.00 0.84 0.06 0.78 -1.40 0.00 0.00 179.01 179.29 2nlu h GLY 85 N 1.09 0.32 1.25 -3.84 0.00 -1.34 0.16 103.07 100.69 2nlu h GLY 85 Ca 0.04 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 2nlu h GLY 85 CO 0.08 0.17 -0.09 -2.00 0.00 0.00 0.00 176.54 174.70 2nlu h LEU 86 N 0.14 0.88 0.21 3.11 7.12 -0.61 -2.63 115.31 123.52 2nlu h LEU 86 Ca 0.06 -0.27 -0.01 0.00 0.13 0.00 0.00 57.88 57.79 2nlu h LEU 86 Cb 0.22 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 2nlu h LEU 86 CO -0.00 0.99 -0.10 -0.25 -0.13 0.00 0.00 178.44 178.95 2nlu h TRP 87 N 0.80 -0.26 -0.76 1.25 7.01 -0.06 -1.94 115.95 121.99 2nlu h TRP 87 Ca 0.13 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 2nlu h TRP 87 Cb 0.60 0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.71 2nlu h TRP 87 CO 0.04 -0.06 0.44 0.93 -2.79 0.00 0.00 178.44 177.00 2nlu h GLU 88 N -0.42 1.05 0.00 2.65 5.08 -0.50 -1.51 114.58 120.93 2nlu h GLU 88 Ca -0.03 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2nlu h GLU 88 Cb 0.32 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2nlu h GLU 88 CO 0.05 0.75 -0.60 -0.84 -1.00 0.00 0.00 179.01 177.37 2nlu h ILE 89 N 1.06 0.00 -0.39 3.13 -2.65 -1.53 -3.30 117.51 113.83 2nlu h ILE 89 Ca 0.27 -0.71 -0.03 0.00 1.03 0.00 0.00 64.86 65.42 2nlu h ILE 89 Cb -0.01 1.35 -0.02 0.00 -2.05 0.00 0.00 36.82 36.10 2nlu h ILE 89 CO -0.05 0.00 0.10 -0.08 0.03 0.00 0.00 178.15 178.16 2nlu h GLU 90 N 0.00 0.56 -0.66 0.16 4.22 -0.44 -0.68 114.58 117.74 2nlu h GLU 90 Ca 0.00 -0.09 0.17 0.00 0.08 0.00 0.00 59.36 59.52 2nlu h GLU 90 Cb 0.85 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2nlu h GLU 90 CO 0.00 0.51 0.46 -0.91 -2.18 0.00 0.00 179.01 176.89 2nlu h ASN 91 N 0.55 0.13 -5.28 1.04 2.35 -1.60 -3.47 115.58 109.30 2nlu h ASN 91 Ca 0.13 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2nlu h ASN 91 Cb 0.20 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2nlu h ASN 91 CO -0.01 0.06 -0.56 -3.20 -1.65 0.00 0.00 177.43 172.07 2nlu n ASN 92 N -4.40 -7.95 0.00 5.81 4.05 -0.26 -5.00 115.26 107.52 2nlu n ASN 92 Ca 0.13 0.63 -0.05 0.00 0.45 0.00 0.00 54.58 55.74 2nlu n ASN 92 Cb 0.64 -5.35 -0.04 0.00 1.23 0.00 0.00 39.78 36.26 2nlu n ASN 92 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 2nlu h PRO 93 N 2.12 -0.13 -4.61 1.20 0.11 -1.90 -3.43 132.00 125.37 2nlu h PRO 93 Ca -0.01 0.01 -0.70 0.00 0.11 0.00 0.00 66.00 65.41 2nlu h PRO 93 Cb 0.90 0.03 -0.21 0.00 0.11 0.00 0.00 31.00 31.82 2nlu h PRO 93 CO 0.19 0.12 -0.47 0.99 -0.21 0.00 0.00 178.00 178.62 2nlu s THR 94 N -2.24 5.09 -0.17 -1.15 2.01 -1.26 -5.05 115.64 112.86 2nlu s THR 94 Ca -0.06 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.41 2nlu s THR 94 Cb -0.00 -3.75 0.03 0.00 0.01 0.00 0.00 72.50 68.79 2nlu s THR 94 CO 0.22 -0.17 -0.15 0.54 -0.69 0.00 0.00 174.62 174.36 2nlu s VAL 95 N 1.66 1.76 -1.38 3.82 0.11 -1.26 -5.04 120.40 120.08 2nlu s VAL 95 Ca 0.05 -0.82 -0.13 0.00 -2.93 0.00 0.00 61.98 58.15 2nlu s VAL 95 Cb -0.18 -1.66 0.09 0.00 -1.53 0.00 0.00 36.38 33.09 2nlu s VAL 95 CO 0.09 0.42 2.05 2.29 -3.33 0.00 0.00 175.10 176.62 2nlu n LYS 96 N 4.70 3.17 -3.64 1.54 2.85 -1.26 -4.82 118.16 120.70 2nlu n LYS 96 Ca -0.18 -3.02 -0.11 0.00 -1.05 0.00 0.00 58.31 53.96 2nlu n LYS 96 Cb 0.49 -3.16 -0.07 0.00 -0.65 0.00 0.00 35.03 31.64 2nlu n LYS 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2nlu s ALA 97 N 2.19 -1.91 -0.23 0.58 0.00 -1.26 -5.03 121.76 116.09 2nlu s ALA 97 Ca 0.45 1.94 0.16 0.00 0.00 0.00 0.00 51.96 54.50 2nlu s ALA 97 Cb 0.11 -1.35 0.41 0.00 0.00 0.00 0.00 23.12 22.29 2nlu s ALA 97 CO -0.04 -0.27 1.31 0.43 0.00 0.00 0.00 175.76 177.18 2nlu n SER 98 N 2.41 3.25 0.00 0.00 7.64 -1.26 -5.00 113.62 120.66 2nlu n SER 98 Ca -0.13 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 56.87 2nlu n SER 98 Cb 0.56 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2nlu n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2nlu n GLY 99 N -0.67 3.62 0.00 0.23 0.00 -1.26 -5.32 105.19 101.79 2nlu n GLY 99 Ca 0.18 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.11 2nlu n GLY 99 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90