#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nlu s SER 2 N 0.00 6.34 -0.20 3.17 0.01 -1.26 -4.94 113.70 116.83 2nlu s SER 2 Ca 0.00 3.03 -0.02 0.00 1.31 0.00 0.00 55.95 60.26 2nlu s SER 2 Cb 0.00 -2.66 -0.12 0.00 0.21 0.00 0.00 66.02 63.46 2nlu s SER 2 CO 0.00 -0.89 -0.20 -1.14 0.41 0.00 0.00 173.24 171.41 2nlu n ARG 3 N 1.02 0.47 -3.98 12.44 3.00 -1.26 -4.92 116.66 123.43 2nlu n ARG 3 Ca 0.03 0.14 -0.34 0.00 -0.00 0.00 0.00 57.85 57.69 2nlu n ARG 3 Cb 0.39 -1.34 -0.14 0.00 0.00 0.00 0.00 32.46 31.36 2nlu n ARG 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2nlu s SER 4 N -6.21 4.57 -0.96 6.15 0.15 -1.26 -5.05 113.70 111.09 2nlu s SER 4 Ca -0.27 -1.23 -0.22 0.00 0.70 0.00 0.00 55.95 54.93 2nlu s SER 4 Cb 0.08 -1.64 0.08 0.00 -1.71 0.00 0.00 66.02 62.84 2nlu s SER 4 CO 0.42 -0.20 1.30 0.20 1.20 0.00 0.00 173.24 176.16 2nlu s ASN 5 N 1.21 6.52 0.00 5.45 0.01 -1.26 -4.73 114.94 122.14 2nlu s ASN 5 Ca -0.05 -1.60 0.22 0.00 -0.71 0.00 0.00 52.86 50.71 2nlu s ASN 5 Cb -0.19 -2.50 -0.12 0.00 0.41 0.00 0.00 41.25 38.84 2nlu s ASN 5 CO -0.03 -1.36 0.98 -2.11 -1.51 0.00 0.00 177.10 173.07 2nlu n ARG 6 N 8.01 0.38 -2.94 -0.60 1.85 -1.26 -4.86 116.66 117.23 2nlu n ARG 6 Ca 0.27 -0.31 -0.43 0.00 -1.00 0.00 0.00 57.85 56.37 2nlu n ARG 6 Cb 0.50 -1.49 -0.05 0.00 -1.05 0.00 0.00 32.46 30.37 2nlu n ARG 6 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2nlu s GLN 7 N -2.84 3.23 -0.12 2.89 -0.21 -1.26 -4.84 119.66 116.52 2nlu s GLN 7 Ca 0.11 -0.54 0.15 0.00 0.02 0.00 0.00 55.36 55.10 2nlu s GLN 7 Cb 0.17 -4.09 0.51 0.00 1.00 0.00 0.00 33.01 30.60 2nlu s GLN 7 CO 0.77 -1.46 1.43 1.63 -2.12 0.00 0.00 175.29 175.54 2nlu n LYS 8 N 7.11 3.18 -3.50 2.91 5.02 -1.26 -4.82 118.16 126.80 2nlu n LYS 8 Ca -0.02 -2.63 -0.23 0.00 -2.02 0.00 0.00 58.31 53.42 2nlu n LYS 8 Cb 0.46 -1.70 -0.13 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.08 0.21 -0.28 1.97 2.56 -1.26 -5.12 118.70 114.69 2nlu s GLU 9 Ca 0.39 -0.18 -0.14 0.00 0.00 0.00 0.00 54.97 55.04 2nlu s GLU 9 Cb 0.28 -1.14 -0.04 0.00 2.00 0.00 0.00 34.13 35.23 2nlu s GLU 9 CO 0.14 -0.88 0.33 0.71 -0.56 0.00 0.00 175.26 175.00 2nlu s TYR 10 N 2.23 3.23 0.16 5.30 2.02 -1.26 -5.06 117.35 123.98 2nlu s TYR 10 Ca 0.08 0.28 -0.21 0.00 -0.37 0.00 0.00 57.07 56.84 2nlu s TYR 10 Cb -0.15 -2.54 -0.08 0.00 -0.40 0.00 0.00 41.96 38.79 2nlu s TYR 10 CO -0.25 -0.24 0.70 -1.59 -1.57 0.00 0.00 175.55 172.59 2nlu s LYS 11 N 1.99 4.34 0.20 -0.62 -2.85 -1.26 -4.96 119.74 116.59 2nlu s LYS 11 Ca 0.13 0.93 -0.32 0.00 -1.00 0.00 0.00 55.97 55.70 2nlu s LYS 11 Cb -0.16 -3.11 -0.15 0.00 -2.06 0.00 0.00 37.83 32.36 2nlu s LYS 11 CO 0.10 0.52 1.28 0.00 0.10 0.00 0.00 175.35 177.36 2nlu n GLY 13 N 2.09 1.53 3.82 0.00 0.00 -1.24 -5.00 105.19 106.40 2nlu n GLY 13 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2nlu n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2nlu s ASP 14 N -1.21 6.39 -0.10 1.61 2.15 -1.05 -4.91 116.67 119.55 2nlu s ASP 14 Ca 0.00 1.69 0.01 0.00 0.43 0.00 0.00 52.55 54.68 2nlu s ASP 14 Cb 0.00 -2.52 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 2nlu s ASP 14 CO 0.00 -0.75 -0.13 -0.22 -0.17 0.00 0.00 175.17 173.90 2nlu s LEU 15 N -4.05 2.73 0.17 -1.34 1.98 -1.26 -2.19 118.68 114.73 2nlu s LEU 15 Ca 0.61 -0.27 -0.06 0.00 -2.89 0.00 0.00 54.13 51.53 2nlu s LEU 15 Cb -0.12 -1.59 -0.02 0.00 0.66 0.00 0.00 46.19 45.11 2nlu s LEU 15 CO 0.30 0.24 0.21 0.68 -1.89 0.00 0.00 176.35 175.89 2nlu s VAL 16 N -0.09 0.06 -0.31 1.68 -7.23 -0.82 -5.00 120.40 108.69 2nlu s VAL 16 Ca -0.02 -1.65 -0.11 0.00 -1.81 0.00 0.00 61.98 58.40 2nlu s VAL 16 Cb -0.14 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 2nlu s VAL 16 CO 0.04 -0.26 0.18 -0.36 -0.31 0.00 0.00 175.10 174.38 2nlu s PHE 17 N -4.03 3.19 0.30 2.82 0.08 -1.26 -0.26 117.98 118.82 2nlu s PHE 17 Ca 0.24 -0.33 -0.02 0.00 0.12 0.00 0.00 56.93 56.94 2nlu s PHE 17 Cb 0.05 -2.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 2nlu s PHE 17 CO 0.04 -0.36 0.53 0.00 -0.10 0.00 0.00 175.22 175.32 2nlu s ALA 18 N 1.67 3.68 -0.19 5.36 0.00 0.88 -4.83 121.76 128.34 2nlu s ALA 18 Ca 0.06 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 2nlu s ALA 18 Cb -0.17 -2.19 0.06 0.00 0.00 0.00 0.00 23.12 20.83 2nlu s ALA 18 CO 0.08 0.18 0.05 0.21 0.00 0.00 0.00 175.76 176.27 2nlu s LYS 19 N -3.79 0.52 0.26 0.00 2.20 -1.26 -0.06 119.74 117.61 2nlu s LYS 19 Ca 0.42 -0.34 0.11 0.00 -0.36 0.00 0.00 55.97 55.79 2nlu s LYS 19 Cb -0.10 -2.04 -0.05 0.00 -1.51 0.00 0.00 37.83 34.13 2nlu s LYS 19 CO 0.32 -0.64 -0.15 1.41 -0.36 0.00 0.00 175.35 175.93 2nlu s MET 20 N 1.92 1.84 -0.09 4.03 1.75 -0.83 -5.01 119.30 122.91 2nlu s MET 20 Ca -0.00 -1.63 -0.30 0.00 -1.25 0.00 0.00 55.69 52.51 2nlu s MET 20 Cb -0.17 -1.90 -0.08 0.00 2.84 0.00 0.00 34.83 35.52 2nlu s MET 20 CO -0.08 0.35 2.07 1.17 -0.65 0.00 0.00 175.02 177.88 2nlu n LYS 21 N -0.57 2.36 0.00 4.11 3.00 -1.26 -0.02 118.16 125.78 2nlu n LYS 21 Ca -0.06 0.79 0.00 0.00 -0.00 0.00 0.00 58.31 59.04 2nlu n LYS 21 Cb 0.59 -3.03 0.00 0.00 0.00 0.00 0.00 35.03 32.59 2nlu n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2nlu n GLY 22 N 5.09 2.79 2.85 3.14 0.00 -1.26 -5.03 105.19 112.77 2nlu n GLY 22 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.48 2.47 0.22 1.61 2.02 0.97 -5.02 117.35 117.13 2nlu s TYR 23 Ca 0.00 -2.18 -0.10 0.00 -0.37 0.00 0.00 57.07 54.42 2nlu s TYR 23 Cb 0.00 -2.13 0.31 0.00 -0.40 0.00 0.00 41.96 39.74 2nlu s TYR 23 CO 0.00 -0.89 1.67 -1.00 -1.57 0.00 0.00 175.55 173.75 2nlu h PRO 24 N 7.91 0.13 -1.12 -1.71 0.13 -1.91 -2.20 132.00 133.23 2nlu h PRO 24 Ca -0.10 -0.01 0.16 0.00 -0.87 0.00 0.00 66.00 65.18 2nlu h PRO 24 Cb 1.02 -0.03 -0.25 0.00 0.13 0.00 0.00 31.00 31.87 2nlu h PRO 24 CO 0.48 0.08 0.27 -1.01 -0.23 0.00 0.00 178.00 177.60 2nlu s HIS 25 N -6.14 -0.64 -0.03 1.56 3.76 -1.26 -4.65 115.29 107.90 2nlu s HIS 25 Ca -0.13 1.14 -0.01 0.00 -0.15 0.00 0.00 55.06 55.91 2nlu s HIS 25 Cb 0.19 0.38 0.03 0.00 1.11 0.00 0.00 32.58 34.29 2nlu s HIS 25 CO 0.74 -0.32 0.05 -0.46 -0.85 0.00 0.00 174.74 173.90 2nlu s TRP 26 N 2.16 -0.01 0.08 1.40 -0.11 0.92 -4.93 118.94 118.44 2nlu s TRP 26 Ca -0.04 0.19 -0.32 0.00 1.22 0.00 0.00 56.10 57.14 2nlu s TRP 26 Cb -0.05 -0.19 -0.11 0.00 -1.50 0.00 0.00 33.47 31.62 2nlu s TRP 26 CO -0.17 -0.10 1.82 -0.35 -4.62 0.00 0.00 176.95 173.54 2nlu n PRO 27 N 4.08 2.59 -4.05 5.86 -0.04 -1.26 -0.08 135.00 142.10 2nlu n PRO 27 Ca -0.26 0.94 -0.12 0.00 -0.04 0.00 0.00 63.50 64.02 2nlu n PRO 27 Cb 0.51 -2.82 -0.11 0.00 -0.04 0.00 0.00 33.50 31.04 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 2.91 0.47 -0.02 0.55 0.00 0.64 -4.85 121.76 121.46 2nlu s ALA 28 Ca 0.84 -0.70 -0.21 0.00 0.00 0.00 0.00 51.96 51.89 2nlu s ALA 28 Cb -0.55 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 2nlu s ALA 28 CO 0.41 -0.04 0.62 0.50 0.00 0.00 0.00 175.76 177.25 2nlu s ARG 29 N -1.49 4.36 -0.02 0.00 3.52 -1.26 -1.95 118.95 122.11 2nlu s ARG 29 Ca -0.11 0.77 -0.30 0.00 -0.13 0.00 0.00 55.73 55.97 2nlu s ARG 29 Cb -0.10 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 2nlu s ARG 29 CO 0.00 0.28 0.98 -1.50 -0.81 0.00 0.00 175.30 174.25 2nlu s ILE 30 N 0.09 4.86 -0.06 4.11 -1.16 -0.93 -4.98 121.20 123.12 2nlu s ILE 30 Ca 0.33 2.04 0.04 0.00 -0.51 0.00 0.00 60.65 62.54 2nlu s ILE 30 Cb -0.18 -4.31 0.00 0.00 0.61 0.00 0.00 42.46 38.58 2nlu s ILE 30 CO 0.17 0.13 -0.17 -0.62 -2.81 0.00 0.00 174.94 171.65 2nlu s ASP 31 N 1.02 2.25 -0.16 4.50 2.15 -1.26 -3.60 116.67 121.57 2nlu s ASP 31 Ca 0.51 -0.38 -0.00 0.00 0.43 0.00 0.00 52.55 53.10 2nlu s ASP 31 Cb -0.20 -0.84 -0.01 0.00 -0.30 0.00 0.00 42.92 41.58 2nlu s ASP 31 CO 0.26 0.12 -0.13 -0.70 -0.17 0.00 0.00 175.17 174.54 2nlu s GLU 32 N 0.29 3.28 0.06 4.34 2.12 -1.26 -4.94 118.70 122.58 2nlu s GLU 32 Ca -0.10 -0.72 -0.29 0.00 0.36 0.00 0.00 54.97 54.22 2nlu s GLU 32 Cb -0.14 -2.67 -0.05 0.00 0.26 0.00 0.00 34.13 31.53 2nlu s GLU 32 CO 0.04 0.04 0.95 -1.64 -0.54 0.00 0.00 175.26 174.11 2nlu s MET 33 N 0.78 4.63 0.36 4.30 -1.94 -1.26 -4.95 119.30 121.22 2nlu s MET 33 Ca -0.05 1.40 0.04 0.00 -1.71 0.00 0.00 55.69 55.37 2nlu s MET 33 Cb -0.15 -3.41 0.69 0.00 2.01 0.00 0.00 34.83 33.97 2nlu s MET 33 CO 0.01 0.12 1.99 -1.00 -0.01 0.00 0.00 175.02 176.13 2nlu h PRO 34 N 6.06 0.78 0.00 2.03 0.13 -1.99 -3.43 132.00 135.58 2nlu h PRO 34 Ca -0.42 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2nlu h PRO 34 Cb 1.21 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2nlu h PRO 34 CO 0.73 0.52 0.00 -1.91 -0.23 0.00 0.00 178.00 177.11 2nlu n GLU 35 N -4.46 0.00 0.00 0.86 2.13 -1.26 -0.71 120.64 117.20 2nlu n GLU 35 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 2nlu n GLU 35 Cb 0.11 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.82 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 -1.83 0.00 -1.32 4.31 0.00 -1.26 -1.40 120.51 119.01 2nlu n ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2nlu n ALA 36 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 4.58 0.00 -3.32 0.00 0.00 -1.26 -5.04 120.51 115.46 2nlu n ALA 37 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2nlu n ALA 37 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 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 0.00 1.79 0.00 0.00 0.11 -0.49 -4.83 120.40 116.97 2nlu s VAL 38 Ca 0.00 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 2nlu s VAL 38 Cb 0.00 -1.57 0.00 0.00 -1.53 0.00 0.00 36.38 33.28 2nlu s VAL 38 CO 0.00 0.50 0.00 2.29 -3.33 0.00 0.00 175.10 174.56 2nlu n LYS 39 N 3.66 0.00 -3.96 1.54 2.85 -1.26 -4.46 118.16 116.52 2nlu n LYS 39 Ca -0.20 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.79 2nlu n LYS 39 Cb 0.53 -0.87 -0.01 0.00 -0.65 0.00 0.00 35.03 34.02 2nlu n LYS 39 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2nlu n SER 40 N 0.33 -1.34 0.00 -5.58 3.41 -1.26 -1.60 113.62 107.58 2nlu n SER 40 Ca 0.00 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 2nlu n SER 40 Cb 0.00 -3.21 0.00 0.00 -0.26 0.00 0.00 64.21 60.74 2nlu n SER 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2nlu n THR 41 N -4.41 0.00 -3.08 6.66 -1.04 0.11 -4.24 114.28 108.28 2nlu n THR 41 Ca -0.21 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.81 2nlu n THR 41 Cb 0.64 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.14 2nlu n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nlu s ALA 42 N 0.00 -2.99 -2.05 2.41 0.00 -1.08 -5.01 121.76 113.04 2nlu s ALA 42 Ca 0.00 0.59 0.16 0.00 0.00 0.00 0.00 51.96 52.71 2nlu s ALA 42 Cb 0.00 -2.81 0.89 0.00 0.00 0.00 0.00 23.12 21.20 2nlu s ALA 42 CO 0.00 -2.27 1.59 0.27 0.00 0.00 0.00 175.76 175.34 2nlu n ASN 43 N 4.29 0.34 -3.76 0.00 6.94 -0.63 -4.68 115.26 117.76 2nlu n ASN 43 Ca 0.09 -1.56 -0.18 0.00 -0.02 0.00 0.00 54.58 52.91 2nlu n ASN 43 Cb 0.59 -0.02 -0.17 0.00 -2.36 0.00 0.00 39.78 37.81 2nlu n ASN 43 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2nlu s LYS 44 N -1.95 0.18 0.42 -3.83 -0.14 -1.26 -3.48 119.74 109.67 2nlu s LYS 44 Ca 0.25 0.19 0.08 0.00 -1.36 0.00 0.00 55.97 55.13 2nlu s LYS 44 Cb 0.12 -0.52 0.00 0.00 -1.68 0.00 0.00 37.83 35.75 2nlu s LYS 44 CO 0.20 -0.22 0.53 0.71 -0.76 0.00 0.00 175.35 175.80 2nlu s TYR 45 N 1.50 2.77 -0.17 3.18 2.02 0.90 -4.84 117.35 122.70 2nlu s TYR 45 Ca -0.03 -0.43 -0.23 0.00 -0.37 0.00 0.00 57.07 56.01 2nlu s TYR 45 Cb -0.13 -2.33 -0.02 0.00 -0.40 0.00 0.00 41.96 39.08 2nlu s TYR 45 CO -0.03 -0.36 0.75 -0.65 -1.57 0.00 0.00 175.55 173.69 2nlu s GLN 46 N -4.30 4.28 -0.21 -0.62 -1.52 -1.26 -1.07 119.66 114.95 2nlu s GLN 46 Ca 0.53 0.86 -0.01 0.00 -1.95 0.00 0.00 55.36 54.80 2nlu s GLN 46 Cb -0.08 -3.56 0.02 0.00 -0.22 0.00 0.00 33.01 29.16 2nlu s GLN 46 CO 0.32 -0.26 -0.12 0.08 -0.25 0.00 0.00 175.29 175.06 2nlu s VAL 47 N 1.93 2.59 -0.38 1.09 1.01 0.75 -4.90 120.40 122.49 2nlu s VAL 47 Ca 0.35 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 2nlu s VAL 47 Cb -0.16 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.02 2nlu s VAL 47 CO 0.12 0.39 0.44 -0.36 0.00 0.00 0.00 175.10 175.68 2nlu s PHE 48 N 1.33 3.18 -0.63 5.22 0.40 -1.26 -1.39 117.98 124.83 2nlu s PHE 48 Ca 0.03 -0.10 -0.27 0.00 -0.60 0.00 0.00 56.93 56.00 2nlu s PHE 48 Cb -0.15 -2.84 0.04 0.00 0.51 0.00 0.00 43.02 40.58 2nlu s PHE 48 CO -0.08 -0.57 1.15 -0.06 0.70 0.00 0.00 175.22 176.36 2nlu s PHE 49 N 2.18 2.54 0.65 0.36 0.40 0.13 -4.97 117.98 119.27 2nlu s PHE 49 Ca 0.14 0.10 -0.18 0.00 -0.60 0.00 0.00 56.93 56.39 2nlu s PHE 49 Cb -0.16 -4.45 -0.01 0.00 0.51 0.00 0.00 43.02 38.90 2nlu s PHE 49 CO 0.13 -1.71 1.30 0.12 0.70 0.00 0.00 175.22 175.76 2nlu s PHE 50 N 4.94 2.07 0.00 0.36 5.36 -1.26 -1.45 117.98 128.01 2nlu s PHE 50 Ca 0.36 1.48 0.00 0.00 -0.96 0.00 0.00 56.93 57.81 2nlu s PHE 50 Cb -0.09 -3.70 0.00 0.00 -0.34 0.00 0.00 43.02 38.88 2nlu s PHE 50 CO 0.20 -2.95 0.00 0.41 -1.46 0.00 0.00 175.22 171.42 2nlu n GLY 51 N 0.90 1.40 0.08 13.12 0.00 -1.26 -4.23 105.19 115.21 2nlu n GLY 51 Ca 0.16 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.27 2nlu n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2nlu n THR 52 N 0.00 0.71 -1.26 2.61 -2.24 -1.24 -4.88 114.28 107.99 2nlu n THR 52 Ca 0.00 0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.78 2nlu n THR 52 Cb 0.00 -0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 67.27 2nlu n THR 52 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2nlu n HIS 53 N -2.01 0.00 -2.75 4.78 -0.00 -0.53 -4.99 115.22 109.72 2nlu n HIS 53 Ca 0.04 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.96 2nlu n HIS 53 Cb 0.28 -1.77 0.01 0.00 -0.12 0.00 0.00 29.99 28.38 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 -2.72 3.31 -0.11 1.57 0.41 -0.89 -4.87 118.70 115.39 2nlu s GLU 54 Ca 0.00 -0.04 -0.05 0.00 -0.41 0.00 0.00 54.97 54.47 2nlu s GLU 54 Cb 0.00 -2.43 0.06 0.00 -1.78 0.00 0.00 34.13 29.98 2nlu s GLU 54 CO 0.00 -0.27 0.23 0.99 -0.49 0.00 0.00 175.26 175.72 2nlu s THR 55 N -2.70 -0.27 0.32 3.63 2.01 -1.26 0.17 115.64 117.54 2nlu s THR 55 Ca 0.48 0.25 -0.07 0.00 0.31 0.00 0.00 61.69 62.66 2nlu s THR 55 Cb -0.10 -0.39 0.03 0.00 0.01 0.00 0.00 72.50 72.05 2nlu s THR 55 CO 0.42 0.11 0.54 0.00 -0.69 0.00 0.00 174.62 175.00 2nlu n ALA 56 N 4.98 -0.89 -3.53 7.40 0.00 -0.48 -5.01 120.51 122.97 2nlu n ALA 56 Ca -0.12 -1.24 -0.35 0.00 0.00 0.00 0.00 53.44 51.72 2nlu n ALA 56 Cb 0.51 1.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.81 2nlu n ALA 56 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2nlu s PHE 57 N -3.21 3.03 0.01 0.00 -0.71 -1.26 -0.18 117.98 115.66 2nlu s PHE 57 Ca 0.19 -1.18 0.03 0.00 -1.04 0.00 0.00 56.93 54.93 2nlu s PHE 57 Cb -0.02 -2.11 -0.01 0.00 -1.21 0.00 0.00 43.02 39.66 2nlu s PHE 57 CO 0.14 -0.62 -0.09 -0.51 -1.34 0.00 0.00 175.22 172.80 2nlu s LEU 58 N 1.42 2.09 0.00 -1.99 1.43 -0.24 -4.84 118.68 116.56 2nlu s LEU 58 Ca 0.03 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2nlu s LEU 58 Cb -0.16 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 45.70 2nlu s LEU 58 CO -0.03 0.02 0.20 0.61 0.23 0.00 0.00 176.35 177.39 2nlu n GLY 59 N 2.43 1.90 0.36 -3.19 0.00 -1.23 -0.07 105.19 105.39 2nlu n GLY 59 Ca -0.16 -2.15 0.07 0.00 0.00 0.00 0.00 46.02 43.78 2nlu n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nlu h PRO 60 N 0.00 0.82 -0.09 1.61 0.13 -1.92 -0.22 132.00 132.32 2nlu h PRO 60 Ca -0.07 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2nlu h PRO 60 Cb 0.31 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2nlu h PRO 60 CO 0.10 0.54 0.00 1.63 -0.23 0.00 0.00 178.00 180.04 2nlu n LYS 61 N -4.50 1.42 0.00 0.86 5.02 -1.26 -2.11 118.16 117.58 2nlu n LYS 61 Ca 0.13 -0.63 0.09 0.00 -2.02 0.00 0.00 58.31 55.88 2nlu n LYS 61 Cb 0.28 -1.35 0.05 0.00 -0.02 0.00 0.00 35.03 33.99 2nlu n LYS 61 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2nlu n ASP 62 N -0.15 2.25 -4.31 4.39 8.00 -0.12 -4.98 116.55 121.64 2nlu n ASP 62 Ca 0.15 -1.62 -0.31 0.00 0.71 0.00 0.00 54.79 53.71 2nlu n ASP 62 Cb 0.22 0.14 -0.16 0.00 -0.02 0.00 0.00 41.12 41.29 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 -1.65 2.12 -0.15 0.64 2.96 -0.90 -4.88 118.68 116.82 2nlu s LEU 63 Ca 0.19 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 2nlu s LEU 63 Cb 0.14 -1.37 0.04 0.00 0.50 0.00 0.00 46.19 45.50 2nlu s LEU 63 CO 0.28 0.29 -0.06 -0.36 -1.32 0.00 0.00 176.35 175.19 2nlu s PHE 64 N -0.46 1.59 -0.01 5.38 0.08 -1.26 -4.94 117.98 118.36 2nlu s PHE 64 Ca 0.05 -0.93 -0.30 0.00 0.12 0.00 0.00 56.93 55.87 2nlu s PHE 64 Cb -0.11 -1.27 -0.07 0.00 -0.57 0.00 0.00 43.02 41.00 2nlu s PHE 64 CO 0.01 -0.57 1.69 -2.14 -0.10 0.00 0.00 175.22 174.10 2nlu s PRO 65 N 1.67 4.18 0.33 0.24 0.02 -1.26 -4.88 135.00 135.31 2nlu s PRO 65 Ca 0.02 2.27 0.24 0.00 0.02 0.00 0.00 61.00 63.56 2nlu s PRO 65 Cb -0.14 -3.90 1.19 0.00 0.02 0.00 0.00 34.50 31.66 2nlu s PRO 65 CO -0.08 -0.82 1.74 0.10 -0.33 0.00 0.00 177.00 177.60 2nlu h TYR 66 N 9.33 0.00 -0.89 6.54 -0.00 -1.99 -0.64 116.97 129.32 2nlu h TYR 66 Ca -0.41 0.00 0.07 0.00 0.00 0.00 0.00 58.73 58.38 2nlu h TYR 66 Cb 1.19 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.86 2nlu h TYR 66 CO 0.87 0.00 0.58 1.49 -0.00 0.00 0.00 178.16 181.10 2nlu h GLU 67 N 0.00 0.96 0.00 0.10 4.81 -2.00 0.50 114.58 118.95 2nlu h GLU 67 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2nlu h GLU 67 Cb 0.15 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.32 2nlu h GLU 67 CO 0.00 0.64 -1.40 0.39 -0.73 0.00 0.00 179.01 177.90 2nlu n GLU 68 N -4.49 0.83 -0.02 1.92 -0.58 -0.75 -4.63 120.64 112.92 2nlu n GLU 68 Ca 0.14 -0.10 -0.01 0.00 -0.42 0.00 0.00 57.16 56.77 2nlu n GLU 68 Cb 0.21 -1.26 -0.13 0.00 -0.57 0.00 0.00 31.44 29.69 2nlu n GLU 68 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2nlu n SER 69 N -1.83 0.40 0.19 1.62 7.64 -0.32 -4.03 113.62 117.30 2nlu n SER 69 Ca -0.02 0.18 0.14 0.00 1.01 0.00 0.00 58.87 60.18 2nlu n SER 69 Cb 0.31 0.82 0.65 0.00 -1.01 0.00 0.00 64.21 64.98 2nlu n SER 69 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2nlu h LYS 70 N 0.00 0.00 0.36 1.43 2.10 -1.13 -2.71 116.57 116.63 2nlu h LYS 70 Ca -0.25 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.38 2nlu h LYS 70 Cb 1.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.01 2nlu h LYS 70 CO 0.03 0.00 -0.17 0.93 -2.00 0.00 0.00 179.45 178.24 2nlu h GLU 71 N 0.00 -0.47 0.00 0.07 4.39 -1.78 -3.09 114.58 113.70 2nlu h GLU 71 Ca 0.00 0.03 -0.46 0.00 0.34 0.00 0.00 59.36 59.27 2nlu h GLU 71 Cb 0.22 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.91 2nlu h GLU 71 CO 0.00 -0.22 -2.54 1.17 -1.16 0.00 0.00 179.01 176.26 2nlu n LYS 72 N -5.24 0.58 -1.31 2.33 4.81 -1.20 -4.67 118.16 113.47 2nlu n LYS 72 Ca -0.10 0.25 -0.10 0.00 -0.87 0.00 0.00 58.31 57.49 2nlu n LYS 72 Cb 0.25 -1.48 0.12 0.00 0.02 0.00 0.00 35.03 33.94 2nlu n LYS 72 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 2nlu n PHE 73 N -4.21 1.51 0.04 5.64 -1.74 -1.05 -4.71 117.46 112.94 2nlu n PHE 73 Ca -0.54 -1.90 0.01 0.00 -0.56 0.00 0.00 57.45 54.46 2nlu n PHE 73 Cb 0.89 -0.36 0.33 0.00 1.52 0.00 0.00 39.48 41.86 2nlu n PHE 73 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2nlu h GLY 74 N 1.59 0.47 -6.38 4.97 0.00 -1.40 -3.38 103.07 98.93 2nlu h GLY 74 Ca 0.22 -0.27 -0.34 0.00 0.00 0.00 0.00 47.33 46.93 2nlu h GLY 74 CO 0.45 0.25 -0.66 0.54 0.00 0.00 0.00 176.54 177.12 2nlu s LYS 75 N -4.93 0.55 0.17 4.80 1.02 -1.26 -4.94 119.74 115.15 2nlu s LYS 75 Ca -0.07 -0.61 0.03 0.00 0.02 0.00 0.00 55.97 55.35 2nlu s LYS 75 Cb 0.16 -0.67 -0.00 0.00 -0.52 0.00 0.00 37.83 36.79 2nlu s LYS 75 CO 0.75 -1.14 1.38 -1.00 -0.92 0.00 0.00 175.35 174.42 2nlu h PRO 76 N 7.44 0.17 -5.81 -1.68 0.13 -1.91 -3.49 132.00 126.85 2nlu h PRO 76 Ca -0.01 -0.19 -0.16 0.00 -0.87 0.00 0.00 66.00 64.77 2nlu h PRO 76 Cb 1.07 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2nlu h PRO 76 CO 0.24 0.94 -0.49 0.09 -0.23 0.00 0.00 178.00 178.55 2nlu n ASN 77 N -3.65 -6.89 -0.01 1.44 3.02 -1.26 -4.96 115.26 102.96 2nlu n ASN 77 Ca -0.03 -0.18 0.03 0.00 -0.03 0.00 0.00 54.58 54.37 2nlu n ASN 77 Cb 0.81 -4.08 -0.07 0.00 -0.61 0.00 0.00 39.78 35.83 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 -1.52 0.65 -4.10 3.52 5.02 -1.26 -5.04 118.16 115.43 2nlu n LYS 78 Ca -0.06 -0.07 -0.10 0.00 -2.02 0.00 0.00 58.31 56.06 2nlu n LYS 78 Cb 0.56 -1.21 -0.10 0.00 -0.02 0.00 0.00 35.03 34.25 2nlu n LYS 78 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2nlu s ARG 79 N -2.55 0.63 -0.05 1.97 1.70 -1.26 -5.09 118.95 114.31 2nlu s ARG 79 Ca -0.03 -1.07 -0.24 0.00 -0.47 0.00 0.00 55.73 53.91 2nlu s ARG 79 Cb 0.05 -0.07 -0.18 0.00 -0.57 0.00 0.00 34.95 34.18 2nlu s ARG 79 CO 0.36 -0.03 1.03 0.87 -1.08 0.00 0.00 175.30 176.45 2nlu h LYS 80 N 3.59 -0.13 -0.33 3.89 1.57 -1.99 -2.25 116.57 120.92 2nlu h LYS 80 Ca -0.35 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.54 2nlu h LYS 80 Cb 1.17 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 2nlu h LYS 80 CO 0.56 0.37 0.28 0.78 -0.57 0.00 0.00 179.45 180.87 2nlu h GLY 81 N -0.73 0.00 0.48 3.86 0.00 -1.98 0.12 103.07 104.81 2nlu h GLY 81 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2nlu h GLY 81 CO 0.02 0.00 -0.12 -2.75 0.00 0.00 0.00 176.54 173.69 2nlu h PHE 82 N 0.00 -0.31 -0.81 5.60 3.57 -1.94 -0.66 116.94 122.40 2nlu h PHE 82 Ca 0.16 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 2nlu h PHE 82 Cb 0.71 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 2nlu h PHE 82 CO 0.00 0.07 0.37 0.77 -2.23 0.00 0.00 178.31 177.28 2nlu h SER 83 N -0.86 1.08 0.66 0.41 0.02 -0.70 0.33 113.55 114.49 2nlu h SER 83 Ca -0.03 -0.15 -0.24 0.00 -0.84 0.00 0.00 61.79 60.53 2nlu h SER 83 Cb 0.51 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2nlu h SER 83 CO 0.06 0.93 -1.06 -0.08 -1.14 0.00 0.00 176.83 175.53 2nlu h GLU 84 N 1.16 0.21 -0.12 3.45 4.81 -0.90 0.11 114.58 123.30 2nlu h GLU 84 Ca 0.27 -0.30 -0.20 0.00 -0.13 0.00 0.00 59.36 59.00 2nlu h GLU 84 Cb 0.15 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2nlu h GLU 84 CO -0.03 1.09 -0.75 0.78 -0.73 0.00 0.00 179.01 179.37 2nlu h GLY 85 N 1.89 0.66 2.00 1.92 0.00 -0.90 -1.83 103.07 106.81 2nlu h GLY 85 Ca -0.08 -0.93 -0.07 0.00 0.00 0.00 0.00 47.33 46.24 2nlu h GLY 85 CO 0.17 0.83 -0.35 -2.00 0.00 0.00 0.00 176.54 175.18 2nlu h LEU 86 N 0.41 0.00 -0.31 3.11 6.46 -0.33 -1.73 115.31 122.91 2nlu h LEU 86 Ca -0.04 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 2nlu h LEU 86 Cb 1.35 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.27 2nlu h LEU 86 CO 0.14 0.35 0.16 -0.25 -0.62 0.00 0.00 178.44 178.22 2nlu h TRP 87 N 0.00 0.45 -0.20 1.25 7.01 -0.60 0.97 115.95 124.83 2nlu h TRP 87 Ca -0.00 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.04 2nlu h TRP 87 Cb 0.91 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.83 2nlu h TRP 87 CO 0.00 0.39 0.19 0.93 -2.79 0.00 0.00 178.44 177.16 2nlu h GLU 88 N 0.38 0.00 0.11 2.65 5.08 -0.75 -0.75 114.58 121.30 2nlu h GLU 88 Ca 0.11 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.17 2nlu h GLU 88 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2nlu h GLU 88 CO -0.01 0.00 -1.53 0.82 -1.00 0.00 0.00 179.01 177.29 2nlu h ILE 89 N 0.00 1.15 -0.20 3.13 1.08 -0.37 -1.93 117.51 120.37 2nlu h ILE 89 Ca 0.10 -2.81 0.05 0.00 -0.39 0.00 0.00 64.86 61.81 2nlu h ILE 89 Cb 0.48 2.74 -0.05 0.00 -3.07 0.00 0.00 36.82 36.93 2nlu h ILE 89 CO -0.00 0.81 -0.10 -0.08 -0.69 0.00 0.00 178.15 178.09 2nlu h GLU 90 N 0.06 -0.07 0.12 2.37 4.57 0.24 -2.52 114.58 119.35 2nlu h GLU 90 Ca -0.24 0.01 -0.28 0.00 -1.18 0.00 0.00 59.36 57.67 2nlu h GLU 90 Cb 2.01 0.02 0.02 0.00 -0.16 0.00 0.00 28.75 30.63 2nlu h GLU 90 CO 0.15 -0.05 -1.22 -2.95 -1.18 0.00 0.00 179.01 173.77 2nlu h ASN 91 N -0.08 0.64 -5.46 1.04 7.08 -1.57 -3.50 115.58 113.74 2nlu h ASN 91 Ca 0.11 -0.62 -0.03 0.00 -3.08 0.00 0.00 56.30 52.68 2nlu h ASN 91 Cb 0.24 -0.20 0.00 0.00 -2.08 0.00 0.00 38.32 36.27 2nlu h ASN 91 CO -0.25 1.46 -0.89 -3.20 -2.08 0.00 0.00 177.43 172.47 2nlu n ASN 92 N -3.68 -7.64 -0.78 6.14 5.15 -0.73 -4.91 115.26 108.81 2nlu n ASN 92 Ca -0.11 0.96 0.09 0.00 -0.60 0.00 0.00 54.58 54.92 2nlu n ASN 92 Cb 0.99 -4.55 0.26 0.00 -0.53 0.00 0.00 39.78 35.95 2nlu n ASN 92 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2nlu n PRO 93 N 0.49 1.99 -0.35 1.20 -0.04 -1.26 -4.33 135.00 132.70 2nlu n PRO 93 Ca 0.02 -1.52 -0.07 0.00 -0.04 0.00 0.00 63.50 61.89 2nlu n PRO 93 Cb 0.24 -1.39 0.05 0.00 -0.04 0.00 0.00 33.50 32.36 2nlu n PRO 93 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2nlu n THR 94 N 0.73 1.63 0.17 0.52 -1.04 -1.26 -4.03 114.28 111.01 2nlu n THR 94 Ca 0.16 -0.55 0.04 0.00 -2.04 0.00 0.00 64.05 61.66 2nlu n THR 94 Cb 0.39 -0.85 0.29 0.00 -1.82 0.00 0.00 70.33 68.34 2nlu n THR 94 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2nlu h VAL 95 N 0.29 1.01 -1.71 12.58 2.07 -1.98 -3.36 116.25 125.14 2nlu h VAL 95 Ca 0.18 -1.69 -0.72 0.00 0.82 0.00 0.00 66.70 65.30 2nlu h VAL 95 Cb 1.54 2.00 -0.14 0.00 -1.52 0.00 0.00 31.29 33.16 2nlu h VAL 95 CO 0.32 0.43 1.65 -0.54 0.02 0.00 0.00 177.57 179.45 2nlu s LYS 96 N -3.58 4.06 0.15 1.57 1.02 -1.26 -4.27 119.74 117.44 2nlu s LYS 96 Ca -0.00 -2.38 0.00 0.00 0.02 0.00 0.00 55.97 53.61 2nlu s LYS 96 Cb 0.11 -5.23 0.00 0.00 -0.52 0.00 0.00 37.83 32.19 2nlu s LYS 96 CO 0.71 -1.94 0.00 0.00 -0.92 0.00 0.00 175.35 173.20 2nlu n ALA 97 N 6.60 3.00 -2.56 5.17 0.00 -1.26 -5.13 120.51 126.34 2nlu n ALA 97 Ca 0.41 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.59 2nlu n ALA 97 Cb 0.44 0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.81 2nlu n ALA 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2nlu s SER 98 N -5.03 3.25 -0.30 0.00 0.15 -1.26 -5.15 113.70 105.35 2nlu s SER 98 Ca 0.00 -1.40 -0.20 0.00 0.70 0.00 0.00 55.95 55.05 2nlu s SER 98 Cb 0.00 -0.19 0.21 0.00 -1.71 0.00 0.00 66.02 64.33 2nlu s SER 98 CO 0.00 -0.55 1.37 -0.83 1.20 0.00 0.00 173.24 174.42 2nlu s GLY 99 N -3.63 0.58 0.00 9.45 0.00 -1.26 -5.08 107.32 107.38 2nlu s GLY 99 Ca 0.34 3.79 0.27 0.00 0.00 0.00 0.00 44.72 49.12 2nlu s GLY 99 CO 0.16 2.44 1.68 2.98 0.00 0.00 0.00 173.10 180.36