#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nlu h SER 2 N 0.00 0.31 -1.67 7.83 4.64 -2.13 -3.50 113.55 119.03 2nlu h SER 2 Ca 0.00 -0.82 0.09 0.00 -0.47 0.00 0.00 61.79 60.59 2nlu h SER 2 Cb 0.00 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 2nlu h SER 2 CO 0.00 1.58 -0.11 0.54 -0.87 0.00 0.00 176.83 177.97 2nlu n ARG 3 N -4.01 -0.63 -1.76 4.77 1.74 -1.26 -4.87 116.66 110.64 2nlu n ARG 3 Ca -0.26 0.41 -0.21 0.00 -0.77 0.00 0.00 57.85 57.03 2nlu n ARG 3 Cb 0.85 -0.77 -0.07 0.00 -1.02 0.00 0.00 32.46 31.45 2nlu n ARG 3 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2nlu n SER 4 N -3.06 -5.50 -4.48 0.55 7.64 -1.26 -4.91 113.62 102.59 2nlu n SER 4 Ca 0.00 0.40 -0.43 0.00 1.01 0.00 0.00 58.87 59.86 2nlu n SER 4 Cb 0.14 -4.81 -0.03 0.00 -1.01 0.00 0.00 64.21 58.50 2nlu n SER 4 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2nlu s ASN 5 N -2.60 6.32 -0.09 6.43 3.04 -1.26 -4.79 114.94 121.99 2nlu s ASN 5 Ca 0.00 -1.21 0.20 0.00 0.04 0.00 0.00 52.86 51.89 2nlu s ASN 5 Cb 0.00 -2.46 -0.30 0.00 -1.54 0.00 0.00 41.25 36.95 2nlu s ASN 5 CO 0.00 -1.43 0.33 0.54 -3.04 0.00 0.00 177.10 173.50 2nlu n ARG 6 N 7.87 0.69 -2.46 0.43 1.74 -1.26 -4.75 116.66 118.91 2nlu n ARG 6 Ca 0.09 -0.13 -0.39 0.00 -0.77 0.00 0.00 57.85 56.64 2nlu n ARG 6 Cb 0.48 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 2nlu n ARG 6 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2nlu s GLN 7 N -3.13 3.25 0.00 5.56 -0.21 -1.26 -4.33 119.66 119.55 2nlu s GLN 7 Ca -0.09 -0.56 0.00 0.00 0.02 0.00 0.00 55.36 54.74 2nlu s GLN 7 Cb 0.11 -4.80 0.00 0.00 1.00 0.00 0.00 33.01 29.32 2nlu s GLN 7 CO 0.86 -2.35 0.00 1.63 -2.12 0.00 0.00 175.29 173.32 2nlu n LYS 8 N 9.10 0.00 -3.28 2.91 5.02 -1.26 -5.12 118.16 125.52 2nlu n LYS 8 Ca 0.21 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.27 2nlu n LYS 8 Cb 0.50 -0.02 -0.01 0.00 -0.02 0.00 0.00 35.03 35.49 2nlu n LYS 8 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2nlu s GLU 9 N -1.96 3.39 0.20 1.97 2.56 -1.26 -5.11 118.70 118.48 2nlu s GLU 9 Ca 0.00 -0.38 0.10 0.00 0.00 0.00 0.00 54.97 54.69 2nlu s GLU 9 Cb 0.00 -2.64 -0.04 0.00 2.00 0.00 0.00 34.13 33.45 2nlu s GLU 9 CO 0.00 0.05 -0.16 0.71 -0.56 0.00 0.00 175.26 175.30 2nlu s TYR 10 N -2.37 2.46 -0.38 5.30 2.02 -1.26 -5.09 117.35 118.03 2nlu s TYR 10 Ca 0.42 -0.29 -0.20 0.00 -0.37 0.00 0.00 57.07 56.63 2nlu s TYR 10 Cb -0.10 -1.19 0.01 0.00 -0.40 0.00 0.00 41.96 40.28 2nlu s TYR 10 CO 0.36 0.53 0.61 0.15 -1.57 0.00 0.00 175.55 175.64 2nlu s LYS 11 N -2.87 3.56 0.00 -0.62 -0.14 -1.26 -4.34 119.74 114.07 2nlu s LYS 11 Ca 0.24 -0.10 0.00 0.00 -1.36 0.00 0.00 55.97 54.75 2nlu s LYS 11 Cb -0.08 -3.85 0.00 0.00 -1.68 0.00 0.00 37.83 32.23 2nlu s LYS 11 CO 0.13 -0.79 0.00 0.00 -0.76 0.00 0.00 175.35 173.93 2nlu n GLY 13 N 0.00 0.02 7.00 0.00 0.00 -1.26 -4.91 105.19 106.04 2nlu n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2nlu n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2nlu n ASP 14 N 0.00 -4.53 -4.55 1.61 8.00 -0.78 -4.65 116.55 111.65 2nlu n ASP 14 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 2nlu n ASP 14 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 2nlu n ASP 14 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2nlu s LEU 15 N 0.00 3.81 0.00 0.64 1.98 -1.26 -2.32 118.68 121.53 2nlu s LEU 15 Ca 0.00 -0.05 -0.00 0.00 -2.89 0.00 0.00 54.13 51.18 2nlu s LEU 15 Cb 0.00 -2.03 0.00 0.00 0.66 0.00 0.00 46.19 44.82 2nlu s LEU 15 CO 0.00 -0.00 0.04 1.33 -1.89 0.00 0.00 176.35 175.82 2nlu n VAL 16 N 4.74 0.00 -3.91 1.68 0.24 -0.81 -5.02 118.33 115.24 2nlu n VAL 16 Ca -0.15 -0.10 -0.35 0.00 -2.04 0.00 0.00 64.34 61.70 2nlu n VAL 16 Cb 0.52 0.07 -0.11 0.00 -1.47 0.00 0.00 33.84 32.85 2nlu n VAL 16 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2nlu s PHE 17 N -5.98 3.20 0.28 6.34 0.40 -1.26 -0.46 117.98 120.51 2nlu s PHE 17 Ca 0.02 -0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.39 2nlu s PHE 17 Cb -0.00 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 2nlu s PHE 17 CO 0.01 -0.00 0.14 0.00 0.70 0.00 0.00 175.22 176.07 2nlu s ALA 18 N 0.81 3.49 -0.17 5.36 0.00 0.74 -4.82 121.76 127.17 2nlu s ALA 18 Ca 0.04 -1.59 -0.00 0.00 0.00 0.00 0.00 51.96 50.41 2nlu s ALA 18 Cb -0.13 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.95 2nlu s ALA 18 CO 0.02 0.18 -0.15 0.21 0.00 0.00 0.00 175.76 176.03 2nlu s LYS 19 N -3.82 3.20 0.39 0.00 2.20 -1.26 -0.95 119.74 119.50 2nlu s LYS 19 Ca 0.35 -0.75 0.04 0.00 -0.36 0.00 0.00 55.97 55.25 2nlu s LYS 19 Cb -0.06 -2.67 -0.05 0.00 -1.51 0.00 0.00 37.83 33.55 2nlu s LYS 19 CO 0.23 -0.05 0.07 1.41 -0.36 0.00 0.00 175.35 176.65 2nlu s MET 20 N 0.99 1.86 -0.20 4.03 1.75 -0.13 -5.03 119.30 122.57 2nlu s MET 20 Ca -0.02 -2.10 -0.29 0.00 -1.25 0.00 0.00 55.69 52.03 2nlu s MET 20 Cb -0.15 -0.97 -0.02 0.00 2.84 0.00 0.00 34.83 36.53 2nlu s MET 20 CO -0.03 -0.29 1.45 0.21 -0.65 0.00 0.00 175.02 175.71 2nlu s LYS 21 N -3.81 4.01 0.00 4.11 2.20 -1.26 -1.56 119.74 123.42 2nlu s LYS 21 Ca 0.28 1.64 0.00 0.00 -0.36 0.00 0.00 55.97 57.53 2nlu s LYS 21 Cb 0.06 -3.91 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 2nlu s LYS 21 CO 0.14 -1.02 0.00 0.41 -0.36 0.00 0.00 175.35 174.52 2nlu n GLY 22 N 4.20 1.94 2.95 5.54 0.00 -1.26 -4.99 105.19 113.56 2nlu n GLY 22 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.37 3.25 0.09 1.61 2.02 -0.60 -5.01 117.35 116.34 2nlu s TYR 23 Ca 0.00 -2.89 -0.29 0.00 -0.37 0.00 0.00 57.07 53.52 2nlu s TYR 23 Cb 0.00 -2.70 -0.13 0.00 -0.40 0.00 0.00 41.96 38.73 2nlu s TYR 23 CO 0.00 -0.87 1.64 -1.00 -1.57 0.00 0.00 175.55 173.75 2nlu h PRO 24 N 7.25 -0.58 -2.36 -1.71 0.13 -1.89 -0.30 132.00 132.54 2nlu h PRO 24 Ca -0.06 0.04 -0.27 0.00 -0.87 0.00 0.00 66.00 64.84 2nlu h PRO 24 Cb 0.97 0.13 -0.34 0.00 0.13 0.00 0.00 31.00 31.89 2nlu h PRO 24 CO 0.56 -0.39 -0.59 -1.01 -0.23 0.00 0.00 178.00 176.35 2nlu s HIS 25 N -6.06 -0.42 -0.02 1.56 3.76 -1.26 -4.34 115.29 108.51 2nlu s HIS 25 Ca -0.16 0.38 0.01 0.00 -0.15 0.00 0.00 55.06 55.14 2nlu s HIS 25 Cb 0.06 -0.26 0.01 0.00 1.11 0.00 0.00 32.58 33.50 2nlu s HIS 25 CO 0.64 -0.63 -0.03 -0.46 -0.85 0.00 0.00 174.74 173.40 2nlu s TRP 26 N 2.38 0.46 -0.00 1.40 -0.11 -0.13 -4.92 118.94 118.02 2nlu s TRP 26 Ca 0.08 -0.08 -0.32 0.00 1.22 0.00 0.00 56.10 57.00 2nlu s TRP 26 Cb -0.16 -0.40 -0.10 0.00 -1.50 0.00 0.00 33.47 31.31 2nlu s TRP 26 CO -0.13 -0.09 1.92 -0.35 -4.62 0.00 0.00 176.95 173.68 2nlu n PRO 27 N 3.58 2.57 -3.88 5.86 -0.04 -1.26 -0.18 135.00 141.64 2nlu n PRO 27 Ca -0.20 0.94 -0.11 0.00 -0.04 0.00 0.00 63.50 64.09 2nlu n PRO 27 Cb 0.54 -2.85 -0.10 0.00 -0.04 0.00 0.00 33.50 31.06 2nlu n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2nlu s ALA 28 N 4.08 -0.26 0.01 0.55 0.00 0.39 -4.86 121.76 121.66 2nlu s ALA 28 Ca 0.90 -0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.65 2nlu s ALA 28 Cb -0.55 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 2nlu s ALA 28 CO 0.45 -0.24 -0.09 0.50 0.00 0.00 0.00 175.76 176.38 2nlu s ARG 29 N -1.76 2.46 0.35 0.00 3.52 -1.26 -1.93 118.95 120.33 2nlu s ARG 29 Ca -0.12 -0.77 -0.25 0.00 -0.13 0.00 0.00 55.73 54.46 2nlu s ARG 29 Cb -0.06 -2.43 -0.10 0.00 -1.56 0.00 0.00 34.95 30.80 2nlu s ARG 29 CO -0.00 0.59 0.98 -1.50 -0.81 0.00 0.00 175.30 174.56 2nlu s ILE 30 N -0.96 4.06 -0.02 4.11 -1.16 -0.98 -5.04 121.20 121.21 2nlu s ILE 30 Ca 0.16 1.65 -0.07 0.00 -0.51 0.00 0.00 60.65 61.88 2nlu s ILE 30 Cb -0.11 -3.89 0.01 0.00 0.61 0.00 0.00 42.46 39.08 2nlu s ILE 30 CO 0.06 0.08 0.16 -0.62 -2.81 0.00 0.00 174.94 171.82 2nlu s ASP 31 N -1.61 -0.06 -0.22 4.50 2.15 -1.26 -4.89 116.67 115.27 2nlu s ASP 31 Ca 0.53 0.01 -0.16 0.00 0.43 0.00 0.00 52.55 53.35 2nlu s ASP 31 Cb -0.19 0.27 -0.04 0.00 -0.30 0.00 0.00 42.92 42.66 2nlu s ASP 31 CO 0.25 -0.27 0.43 -1.61 -0.17 0.00 0.00 175.17 173.79 2nlu s GLU 32 N -0.88 4.13 -0.28 4.34 2.02 -1.26 -5.03 118.70 121.74 2nlu s GLU 32 Ca -0.10 0.21 -0.04 0.00 0.02 0.00 0.00 54.97 55.07 2nlu s GLU 32 Cb -0.05 -3.58 0.10 0.00 0.10 0.00 0.00 34.13 30.70 2nlu s GLU 32 CO 0.01 -0.14 0.15 1.41 0.02 0.00 0.00 175.26 176.70 2nlu s MET 33 N 1.65 0.19 -0.44 1.61 1.75 -1.26 -5.12 119.30 117.68 2nlu s MET 33 Ca 0.19 -0.44 -0.42 0.00 -1.25 0.00 0.00 55.69 53.78 2nlu s MET 33 Cb -0.15 -1.16 -0.18 0.00 2.84 0.00 0.00 34.83 36.18 2nlu s MET 33 CO 0.09 -0.98 1.45 -2.30 -0.65 0.00 0.00 175.02 172.62 2nlu n PRO 34 N 5.26 0.00 0.00 4.11 -0.02 -1.26 -4.66 135.00 138.43 2nlu n PRO 34 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2nlu n PRO 34 Cb 0.43 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 2nlu n PRO 34 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2nlu n GLU 35 N 3.75 0.00 0.00 -0.52 2.13 -1.26 -5.12 120.64 119.62 2nlu n GLU 35 Ca 0.29 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.11 2nlu n GLU 35 Cb -0.05 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.66 2nlu n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nlu n ALA 36 N 0.00 0.00 -0.03 4.31 0.00 -1.26 -4.98 120.51 118.55 2nlu n ALA 36 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2nlu n ALA 36 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2nlu n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nlu n ALA 37 N -2.25 2.42 -2.40 0.00 0.00 -1.26 -5.04 120.51 111.98 2nlu n ALA 37 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 53.44 52.85 2nlu n ALA 37 Cb 0.00 0.32 -0.15 0.00 0.00 0.00 0.00 19.45 19.63 2nlu n ALA 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2nlu s VAL 38 N -2.20 1.89 -0.01 0.00 0.11 -1.26 -5.00 120.40 113.93 2nlu s VAL 38 Ca -0.11 -1.22 0.03 0.00 -2.93 0.00 0.00 61.98 57.75 2nlu s VAL 38 Cb 0.04 -1.61 -0.05 0.00 -1.53 0.00 0.00 36.38 33.23 2nlu s VAL 38 CO 0.14 0.35 0.05 1.17 -3.33 0.00 0.00 175.10 173.49 2nlu n LYS 39 N 2.00 1.11 -1.45 1.54 3.00 -1.26 -4.83 118.16 118.26 2nlu n LYS 39 Ca -0.17 -0.02 -0.16 0.00 -0.00 0.00 0.00 58.31 57.97 2nlu n LYS 39 Cb 0.52 -1.07 -0.07 0.00 0.00 0.00 0.00 35.03 34.41 2nlu n LYS 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2nlu n SER 40 N -1.76 -4.94 -3.80 3.14 7.64 -1.26 -4.97 113.62 107.68 2nlu n SER 40 Ca -0.02 0.39 -0.13 0.00 1.01 0.00 0.00 58.87 60.12 2nlu n SER 40 Cb 0.23 -3.81 -0.09 0.00 -1.01 0.00 0.00 64.21 59.53 2nlu n SER 40 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2nlu s THR 41 N -2.56 0.05 0.01 0.44 2.01 -1.26 -5.17 115.64 109.17 2nlu s THR 41 Ca 0.00 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 61.59 2nlu s THR 41 Cb 0.00 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 2nlu s THR 41 CO 0.00 -0.25 -0.15 0.00 -0.69 0.00 0.00 174.62 173.53 2nlu s ALA 42 N -1.08 1.24 -0.13 7.40 0.00 -1.26 -5.03 121.76 122.90 2nlu s ALA 42 Ca -0.11 -0.74 0.18 0.00 0.00 0.00 0.00 51.96 51.28 2nlu s ALA 42 Cb -0.05 -0.26 0.29 0.00 0.00 0.00 0.00 23.12 23.10 2nlu s ALA 42 CO 0.03 0.27 1.15 0.09 0.00 0.00 0.00 175.76 177.30 2nlu n ASN 43 N 2.31 2.27 -4.07 0.00 4.13 -1.26 -5.02 115.26 113.61 2nlu n ASN 43 Ca -0.16 -3.08 -0.09 0.00 1.68 0.00 0.00 54.58 52.93 2nlu n ASN 43 Cb 0.55 -0.43 -0.09 0.00 -1.54 0.00 0.00 39.78 38.27 2nlu n ASN 43 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2nlu s LYS 44 N -2.81 0.86 0.22 3.52 -2.85 -1.26 -4.62 119.74 112.79 2nlu s LYS 44 Ca 0.31 -1.28 0.08 0.00 -1.00 0.00 0.00 55.97 54.09 2nlu s LYS 44 Cb 0.28 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 36.27 2nlu s LYS 44 CO 0.03 -0.24 0.02 0.71 0.10 0.00 0.00 175.35 175.96 2nlu s TYR 45 N -3.98 2.80 -0.47 1.78 2.02 0.10 -4.98 117.35 114.63 2nlu s TYR 45 Ca 0.16 -0.17 -0.16 0.00 -0.37 0.00 0.00 57.07 56.53 2nlu s TYR 45 Cb 0.07 -1.30 0.06 0.00 -0.40 0.00 0.00 41.96 40.39 2nlu s TYR 45 CO -0.03 0.56 0.40 -1.14 -1.57 0.00 0.00 175.55 173.77 2nlu s GLN 46 N -3.33 2.99 -0.40 -0.62 2.00 -1.26 -2.17 119.66 116.87 2nlu s GLN 46 Ca 0.29 -1.27 -0.15 0.00 -2.00 0.00 0.00 55.36 52.24 2nlu s GLN 46 Cb -0.08 -4.11 0.01 0.00 0.80 0.00 0.00 33.01 29.63 2nlu s GLN 46 CO 0.20 -1.01 0.30 0.08 -0.50 0.00 0.00 175.29 174.36 2nlu s VAL 47 N 1.72 5.25 -0.50 1.34 1.01 -0.34 -4.97 120.40 123.91 2nlu s VAL 47 Ca 0.05 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 2nlu s VAL 47 Cb -0.23 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.32 2nlu s VAL 47 CO 0.08 -0.27 0.53 0.12 0.00 0.00 0.00 175.10 175.55 2nlu s PHE 48 N 1.71 3.14 -0.09 5.22 5.36 -1.26 0.18 117.98 132.23 2nlu s PHE 48 Ca 0.06 -0.77 -0.35 0.00 -0.96 0.00 0.00 56.93 54.90 2nlu s PHE 48 Cb -0.19 -3.43 -0.13 0.00 -0.34 0.00 0.00 43.02 38.93 2nlu s PHE 48 CO 0.10 -0.95 1.80 1.19 -1.46 0.00 0.00 175.22 175.90 2nlu n PHE 49 N 5.72 2.24 0.04 10.12 3.01 0.21 -4.86 117.46 133.94 2nlu n PHE 49 Ca -0.10 0.15 -0.22 0.00 1.01 0.00 0.00 57.45 58.30 2nlu n PHE 49 Cb 0.44 -2.60 -0.14 0.00 -0.01 0.00 0.00 39.48 37.17 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 8.29 0.56 -0.12 1.38 3.57 -1.96 0.60 116.94 129.26 2nlu h PHE 50 Ca -0.48 -0.41 -0.12 0.00 3.53 0.00 0.00 57.97 60.50 2nlu h PHE 50 Cb 1.28 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.00 2nlu h PHE 50 CO 0.82 1.56 -0.40 0.78 -2.23 0.00 0.00 178.31 178.84 2nlu h GLY 51 N 0.17 0.53 2.00 2.40 0.00 -1.88 -3.19 103.07 103.10 2nlu h GLY 51 Ca -0.29 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.30 2nlu h GLY 51 CO 0.11 0.63 -0.17 -0.84 0.00 0.00 0.00 176.54 176.27 2nlu h THR 52 N 0.08 0.30 -5.58 4.70 2.02 -1.72 -3.40 112.91 109.31 2nlu h THR 52 Ca -0.02 -1.32 -0.33 0.00 0.77 0.00 0.00 66.41 65.51 2nlu h THR 52 Cb 1.03 2.06 0.16 0.00 -1.74 0.00 0.00 68.15 69.65 2nlu h THR 52 CO 0.08 0.16 -0.73 1.41 0.37 0.00 0.00 175.52 176.81 2nlu n HIS 53 N -3.16 -2.25 -4.27 3.16 -0.00 0.15 -5.02 115.22 103.82 2nlu n HIS 53 Ca 0.03 0.93 -0.15 0.00 -0.00 0.00 0.00 57.72 58.53 2nlu n HIS 53 Cb 0.56 -5.00 -0.10 0.00 -0.00 0.00 0.00 29.99 25.45 2nlu n HIS 53 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2nlu s GLU 54 N -5.49 1.23 -0.11 -0.41 0.41 -0.84 -4.96 118.70 108.52 2nlu s GLU 54 Ca 0.10 -1.63 -0.02 0.00 -0.41 0.00 0.00 54.97 53.01 2nlu s GLU 54 Cb -0.04 -0.23 -0.03 0.00 -1.78 0.00 0.00 34.13 32.04 2nlu s GLU 54 CO 0.71 -0.21 -0.03 0.99 -0.49 0.00 0.00 175.26 176.23 2nlu s THR 55 N -3.73 3.98 -0.12 3.63 2.01 -1.26 0.66 115.64 120.81 2nlu s THR 55 Ca 0.30 -0.35 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 2nlu s THR 55 Cb 0.07 -2.69 0.06 0.00 0.01 0.00 0.00 72.50 69.94 2nlu s THR 55 CO 0.08 0.55 0.24 0.00 -0.69 0.00 0.00 174.62 174.80 2nlu s ALA 56 N -0.30 -0.46 -0.28 7.40 0.00 0.13 -4.93 121.76 123.32 2nlu s ALA 56 Ca 0.05 0.85 -0.29 0.00 0.00 0.00 0.00 51.96 52.57 2nlu s ALA 56 Cb -0.12 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.07 2nlu s ALA 56 CO 0.02 -0.58 1.17 -0.59 0.00 0.00 0.00 175.76 175.78 2nlu s PHE 57 N 2.27 2.99 0.34 0.00 -0.71 -1.26 -1.20 117.98 120.40 2nlu s PHE 57 Ca 0.01 1.10 0.04 0.00 -1.04 0.00 0.00 56.93 57.03 2nlu s PHE 57 Cb -0.12 -3.69 -0.04 0.00 -1.21 0.00 0.00 43.02 37.97 2nlu s PHE 57 CO -0.08 -1.16 0.14 -0.51 -1.34 0.00 0.00 175.22 172.28 2nlu s LEU 58 N 3.80 1.85 0.45 -1.99 1.43 -0.92 -4.93 118.68 118.36 2nlu s LEU 58 Ca 0.50 -1.58 0.08 0.00 -1.03 0.00 0.00 54.13 52.10 2nlu s LEU 58 Cb -0.15 0.03 0.01 0.00 0.03 0.00 0.00 46.19 46.10 2nlu s LEU 58 CO 0.17 -0.87 0.48 -0.83 0.23 0.00 0.00 176.35 175.52 2nlu s GLY 59 N -3.47 2.07 0.29 -3.19 0.00 -1.26 -0.72 107.32 101.04 2nlu s GLY 59 Ca 0.32 -1.80 0.01 0.00 0.00 0.00 0.00 44.72 43.25 2nlu s GLY 59 CO 0.17 -1.68 1.87 -0.56 0.00 0.00 0.00 173.10 172.90 2nlu h PRO 60 N 0.80 1.00 0.00 2.90 0.13 -1.94 -1.61 132.00 133.28 2nlu h PRO 60 Ca -0.39 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2nlu h PRO 60 Cb 1.28 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2nlu h PRO 60 CO 0.52 0.66 0.00 1.17 -0.23 0.00 0.00 178.00 180.13 2nlu n LYS 61 N -4.55 0.20 -0.10 0.86 3.00 -1.26 -2.14 118.16 114.17 2nlu n LYS 61 Ca 0.17 0.06 0.12 0.00 -0.00 0.00 0.00 58.31 58.65 2nlu n LYS 61 Cb 0.28 -1.50 0.28 0.00 0.00 0.00 0.00 35.03 34.09 2nlu n LYS 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2nlu n ASP 62 N -1.38 2.58 -4.13 3.14 8.00 -0.61 -4.80 116.55 119.36 2nlu n ASP 62 Ca 0.09 -1.85 -0.33 0.00 0.71 0.00 0.00 54.79 53.41 2nlu n ASP 62 Cb 0.24 -0.13 -0.16 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.66 2.54 -0.18 0.64 2.96 -0.91 -4.93 118.68 117.14 2nlu s LEU 63 Ca 0.35 -0.80 -0.01 0.00 -0.22 0.00 0.00 54.13 53.44 2nlu s LEU 63 Cb 0.20 -1.53 -0.00 0.00 0.50 0.00 0.00 46.19 45.36 2nlu s LEU 63 CO 0.30 -0.05 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.80 2nlu s PHE 64 N 1.27 2.85 0.25 5.38 0.08 -1.26 -5.00 117.98 121.55 2nlu s PHE 64 Ca 0.02 -1.01 -0.30 0.00 0.12 0.00 0.00 56.93 55.76 2nlu s PHE 64 Cb -0.15 -1.96 -0.10 0.00 -0.57 0.00 0.00 43.02 40.24 2nlu s PHE 64 CO -0.10 -0.49 1.44 -1.25 -0.10 0.00 0.00 175.22 174.72 2nlu s PRO 65 N 1.02 4.26 0.18 0.24 0.04 -1.26 -4.89 135.00 134.59 2nlu s PRO 65 Ca -0.01 2.31 0.18 0.00 0.04 0.00 0.00 61.00 63.53 2nlu s PRO 65 Cb -0.15 -3.11 0.82 0.00 0.04 0.00 0.00 34.50 32.10 2nlu s PRO 65 CO -0.02 -0.43 1.56 2.48 0.04 0.00 0.00 177.00 180.64 2nlu n TYR 66 N 2.32 0.50 -0.31 0.56 0.18 -1.26 -3.57 117.16 115.58 2nlu n TYR 66 Ca 0.07 0.21 0.15 0.00 1.88 0.00 0.00 57.90 60.21 2nlu n TYR 66 Cb 0.40 -0.85 0.31 0.00 -0.38 0.00 0.00 39.34 38.83 2nlu n TYR 66 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 2nlu h GLU 67 N 0.00 0.19 0.00 -3.48 5.08 -2.01 0.42 114.58 114.77 2nlu h GLU 67 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2nlu h GLU 67 Cb 0.23 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2nlu h GLU 67 CO 0.00 0.12 -0.21 0.39 -1.00 0.00 0.00 179.01 178.31 2nlu n GLU 68 N -5.24 1.06 0.00 2.33 1.02 -1.23 -4.74 120.64 113.84 2nlu n GLU 68 Ca 0.23 -2.41 0.00 0.00 -0.02 0.00 0.00 57.16 54.96 2nlu n GLU 68 Cb 0.74 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 2nlu n GLU 68 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2nlu n SER 69 N -1.06 3.09 -0.36 1.62 3.41 -0.59 -4.42 113.62 115.30 2nlu n SER 69 Ca 0.13 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.78 2nlu n SER 69 Cb 0.68 0.30 0.19 0.00 -0.26 0.00 0.00 64.21 65.12 2nlu n SER 69 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2nlu h LYS 70 N 0.00 1.06 0.00 4.33 2.10 -1.24 -0.66 116.57 122.16 2nlu h LYS 70 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2nlu h LYS 70 Cb 0.62 -0.24 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2nlu h LYS 70 CO 0.00 0.70 -0.39 1.05 -2.00 0.00 0.00 179.45 178.82 2nlu h GLU 71 N 1.09 0.00 0.13 0.07 9.09 -1.86 -2.20 114.58 120.90 2nlu h GLU 71 Ca 0.44 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.85 2nlu h GLU 71 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 2nlu h GLU 71 CO -0.20 0.00 -0.06 -0.22 0.05 0.00 0.00 179.01 178.57 2nlu h LYS 72 N 0.00 -0.17 0.00 1.06 1.63 -1.34 -3.40 116.57 114.35 2nlu h LYS 72 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2nlu h LYS 72 Cb 0.96 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 2nlu h LYS 72 CO 0.00 0.19 -0.77 1.97 -3.45 0.00 0.00 179.45 177.39 2nlu n PHE 73 N -5.00 0.00 0.00 1.91 -1.74 -0.98 -5.09 117.46 106.56 2nlu n PHE 73 Ca -0.09 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.80 2nlu n PHE 73 Cb 0.23 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.23 2nlu n PHE 73 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2nlu n GLY 74 N 2.36 2.35 2.74 4.97 0.00 -0.83 -4.13 105.19 112.66 2nlu n GLY 74 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 1.07 0.00 1.61 -2.85 -1.26 -4.94 119.74 113.37 2nlu s LYS 75 Ca 0.00 -1.64 0.28 0.00 -1.00 0.00 0.00 55.97 53.62 2nlu s LYS 75 Cb 0.00 -2.26 1.15 0.00 -2.06 0.00 0.00 37.83 34.67 2nlu s LYS 75 CO 0.00 -1.08 1.80 -0.35 0.10 0.00 0.00 175.35 175.82 2nlu n PRO 76 N 4.09 1.53 -4.50 1.78 -0.04 -1.26 -4.79 135.00 131.82 2nlu n PRO 76 Ca 0.04 -0.81 -0.28 0.00 -0.04 0.00 0.00 63.50 62.41 2nlu n PRO 76 Cb 0.38 -1.48 -0.17 0.00 -0.04 0.00 0.00 33.50 32.19 2nlu n PRO 76 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2nlu s ASN 77 N -2.03 2.39 -0.44 3.54 0.01 -1.26 -4.99 114.94 112.17 2nlu s ASN 77 Ca 0.39 -0.42 0.04 0.00 -0.71 0.00 0.00 52.86 52.16 2nlu s ASN 77 Cb 0.21 -1.07 0.65 0.00 0.41 0.00 0.00 41.25 41.45 2nlu s ASN 77 CO 0.35 0.02 1.87 0.29 -1.51 0.00 0.00 177.10 178.12 2nlu n LYS 78 N 4.14 2.21 -2.10 -0.60 5.02 -1.26 -3.85 118.16 121.72 2nlu n LYS 78 Ca -0.19 -3.04 -0.36 0.00 -2.02 0.00 0.00 58.31 52.70 2nlu n LYS 78 Cb 0.51 -2.14 0.02 0.00 -0.02 0.00 0.00 35.03 33.40 2nlu n LYS 78 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2nlu s ARG 79 N -3.30 3.19 0.17 1.97 0.52 -1.26 -4.74 118.95 115.50 2nlu s ARG 79 Ca 0.56 1.78 -0.25 0.00 -0.52 0.00 0.00 55.73 57.30 2nlu s ARG 79 Cb 0.47 -2.03 0.04 0.00 0.52 0.00 0.00 34.95 33.95 2nlu s ARG 79 CO 0.09 -1.02 1.57 0.87 0.02 0.00 0.00 175.30 176.84 2nlu h LYS 80 N 1.16 -0.23 0.00 3.54 1.57 -1.99 0.15 116.57 120.78 2nlu h LYS 80 Ca -0.50 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2nlu h LYS 80 Cb 1.28 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.64 2nlu h LYS 80 CO 0.56 -0.15 0.00 0.78 -0.57 0.00 0.00 179.45 180.07 2nlu h GLY 81 N -0.23 0.00 0.00 3.86 0.00 -1.92 -2.34 103.07 102.44 2nlu h GLY 81 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 2nlu h GLY 81 CO -0.67 0.00 -0.07 -2.75 0.00 0.00 0.00 176.54 173.05 2nlu h PHE 82 N 0.00 0.00 -0.41 5.60 3.04 -1.29 -2.21 116.94 121.66 2nlu h PHE 82 Ca 0.00 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.83 2nlu h PHE 82 Cb 0.71 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 2nlu h PHE 82 CO 0.00 0.45 -0.23 0.66 -2.02 0.00 0.00 178.31 177.17 2nlu h SER 83 N -1.00 0.92 -0.17 0.41 4.64 -1.25 0.11 113.55 117.21 2nlu h SER 83 Ca -0.01 -0.41 -0.16 0.00 -0.47 0.00 0.00 61.79 60.73 2nlu h SER 83 Cb 0.46 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2nlu h SER 83 CO -0.01 1.13 -0.47 -0.08 -0.87 0.00 0.00 176.83 176.53 2nlu h GLU 84 N 0.71 0.73 -0.29 4.77 4.81 -1.59 0.11 114.58 123.82 2nlu h GLU 84 Ca 0.09 -0.42 -0.05 0.00 -0.13 0.00 0.00 59.36 58.85 2nlu h GLU 84 Cb 0.80 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2nlu h GLU 84 CO 0.07 1.04 -0.02 0.78 -0.73 0.00 0.00 179.01 180.15 2nlu h GLY 85 N 0.90 0.57 1.94 1.92 0.00 -1.24 -0.89 103.07 106.28 2nlu h GLY 85 Ca 0.03 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 2nlu h GLY 85 CO 0.10 0.40 -0.39 -2.00 0.00 0.00 0.00 176.54 174.65 2nlu h LEU 86 N 0.31 0.07 -0.10 3.11 6.46 -0.70 -2.03 115.31 122.42 2nlu h LEU 86 Ca 0.08 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2nlu h LEU 86 Cb 0.47 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2nlu h LEU 86 CO 0.02 0.45 0.05 -0.25 -0.62 0.00 0.00 178.44 178.09 2nlu h TRP 87 N 0.06 0.14 -0.14 1.25 2.91 -0.76 0.71 115.95 120.12 2nlu h TRP 87 Ca 0.00 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.06 2nlu h TRP 87 Cb 0.71 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.31 2nlu h TRP 87 CO 0.00 0.19 0.16 0.93 -1.03 0.00 0.00 178.44 178.70 2nlu h GLU 88 N 0.05 0.00 0.08 2.65 5.08 -0.59 0.19 114.58 122.04 2nlu h GLU 88 Ca 0.04 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 2nlu h GLU 88 Cb 0.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.36 2nlu h GLU 88 CO -0.00 0.00 -0.59 0.82 -1.00 0.00 0.00 179.01 178.24 2nlu h ILE 89 N 0.00 1.54 -0.16 3.13 5.03 -0.78 -3.06 117.51 123.21 2nlu h ILE 89 Ca 0.07 -2.35 -0.12 0.00 -0.12 0.00 0.00 64.86 62.34 2nlu h ILE 89 Cb 0.39 3.06 -0.01 0.00 -3.03 0.00 0.00 36.82 37.23 2nlu h ILE 89 CO -0.00 0.66 -0.40 -0.08 -0.68 0.00 0.00 178.15 177.65 2nlu h GLU 90 N -0.43 0.37 -0.07 2.37 4.81 0.13 -2.65 114.58 119.11 2nlu h GLU 90 Ca -0.09 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2nlu h GLU 90 Cb 1.41 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.78 2nlu h GLU 90 CO 0.11 0.71 0.00 0.27 -0.73 0.00 0.00 179.01 179.38 2nlu n ASN 91 N -4.03 2.11 -4.62 1.04 0.23 0.44 -4.89 115.26 105.54 2nlu n ASN 91 Ca -0.01 -1.71 -0.43 0.00 -0.53 0.00 0.00 54.58 51.89 2nlu n ASN 91 Cb 0.49 -0.03 -0.02 0.00 -2.08 0.00 0.00 39.78 38.13 2nlu n ASN 91 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 2nlu s ASN 92 N -1.90 6.26 0.05 0.53 2.47 -1.00 -4.88 114.94 116.47 2nlu s ASN 92 Ca 0.34 1.43 0.09 0.00 0.42 0.00 0.00 52.86 55.14 2nlu s ASN 92 Cb 0.20 -2.53 -0.22 0.00 -1.45 0.00 0.00 41.25 37.25 2nlu s ASN 92 CO 0.31 -1.38 1.01 1.55 -3.72 0.00 0.00 177.10 174.87 2nlu h PRO 93 N 11.20 0.01 -5.63 0.43 0.14 -1.90 -3.43 132.00 132.81 2nlu h PRO 93 Ca -0.33 -0.02 -0.63 0.00 0.14 0.00 0.00 66.00 65.17 2nlu h PRO 93 Cb 1.15 0.01 -0.13 0.00 0.14 0.00 0.00 31.00 32.16 2nlu h PRO 93 CO 1.02 0.79 0.95 -0.08 0.14 0.00 0.00 178.00 180.82 2nlu s THR 94 N -2.66 4.24 -0.48 1.56 -1.32 -1.26 -4.93 115.64 110.79 2nlu s THR 94 Ca -0.02 -0.69 0.00 0.00 -1.21 0.00 0.00 61.69 59.77 2nlu s THR 94 Cb 0.09 -4.84 0.13 0.00 -1.51 0.00 0.00 72.50 66.36 2nlu s THR 94 CO 0.82 -1.66 0.25 -0.69 -2.21 0.00 0.00 174.62 171.14 2nlu s VAL 95 N 4.16 3.04 -1.05 5.08 1.01 -1.26 -5.04 120.40 126.33 2nlu s VAL 95 Ca 0.33 -2.67 -0.23 0.00 0.00 0.00 0.00 61.98 59.41 2nlu s VAL 95 Cb -0.08 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.26 2nlu s VAL 95 CO 0.00 -0.75 1.58 -0.75 0.00 0.00 0.00 175.10 175.18 2nlu s LYS 96 N 0.41 3.45 0.47 2.72 2.47 -1.26 -4.93 119.74 123.07 2nlu s LYS 96 Ca 0.13 -1.12 0.03 0.00 -1.56 0.00 0.00 55.97 53.46 2nlu s LYS 96 Cb -0.22 -5.34 -0.04 0.00 -1.46 0.00 0.00 37.83 30.78 2nlu s LYS 96 CO -0.04 -2.45 0.01 0.00 0.16 0.00 0.00 175.35 173.02 2nlu s ALA 97 N 5.86 3.75 0.52 3.13 0.00 -1.26 -5.02 121.76 128.73 2nlu s ALA 97 Ca 0.52 -1.13 0.18 0.00 0.00 0.00 0.00 51.96 51.52 2nlu s ALA 97 Cb -0.00 0.08 1.32 0.00 0.00 0.00 0.00 23.12 24.51 2nlu s ALA 97 CO -0.05 -0.06 2.15 0.77 0.00 0.00 0.00 175.76 178.56 2nlu h SER 98 N 1.51 0.00 0.00 0.00 0.02 -2.09 -3.42 113.55 109.57 2nlu h SER 98 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2nlu h SER 98 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2nlu h SER 98 CO 0.77 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 2nlu n GLY 99 N -1.45 -0.92 0.00 -3.77 0.00 -1.26 -5.32 105.19 92.48 2nlu n GLY 99 Ca -0.03 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.60 2nlu n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30