#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 1.94 -1.39 3.17 3.41 -1.26 -4.98 113.62 114.50 2nlu n SER 2 Ca 0.00 0.36 -0.18 0.00 -0.26 0.00 0.00 58.87 58.79 2nlu n SER 2 Cb 0.00 -0.82 -0.08 0.00 -0.26 0.00 0.00 64.21 63.05 2nlu n SER 2 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2nlu n ARG 3 N -4.33 -1.38 -4.26 4.33 1.74 -1.26 -4.97 116.66 106.53 2nlu n ARG 3 Ca -0.41 1.14 -0.22 0.00 -0.77 0.00 0.00 57.85 57.58 2nlu n ARG 3 Cb 0.76 -5.46 -0.12 0.00 -1.02 0.00 0.00 32.46 26.61 2nlu n ARG 3 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2nlu s SER 4 N -2.75 2.34 0.41 0.55 0.01 -1.26 -5.14 113.70 107.87 2nlu s SER 4 Ca 0.00 -0.70 -0.22 0.00 1.31 0.00 0.00 55.95 56.34 2nlu s SER 4 Cb 0.00 -0.12 -0.10 0.00 0.21 0.00 0.00 66.02 66.01 2nlu s SER 4 CO 0.00 0.01 0.96 0.54 0.41 0.00 0.00 173.24 175.16 2nlu s ASN 5 N -1.98 6.95 -0.11 2.44 2.20 -1.26 -5.01 114.94 118.17 2nlu s ASN 5 Ca 0.06 1.75 -0.30 0.00 -0.94 0.00 0.00 52.86 53.43 2nlu s ASN 5 Cb -0.09 -2.55 -0.02 0.00 -2.00 0.00 0.00 41.25 36.58 2nlu s ASN 5 CO 0.04 -0.35 1.20 -0.60 -2.94 0.00 0.00 177.10 174.45 2nlu s ARG 6 N -2.96 4.31 0.27 3.55 3.52 -1.26 -4.99 118.95 121.39 2nlu s ARG 6 Ca 0.60 1.64 -0.29 0.00 -0.13 0.00 0.00 55.73 57.54 2nlu s ARG 6 Cb -0.12 -3.63 -0.09 0.00 -1.56 0.00 0.00 34.95 29.54 2nlu s ARG 6 CO 0.16 -0.54 1.24 1.14 -0.81 0.00 0.00 175.30 176.49 2nlu s GLN 7 N 2.70 4.46 -0.87 5.12 -2.07 -1.26 -4.93 119.66 122.81 2nlu s GLN 7 Ca 0.54 2.02 -0.25 0.00 -1.82 0.00 0.00 55.36 55.85 2nlu s GLN 7 Cb -0.23 -3.16 0.04 0.00 -1.09 0.00 0.00 33.01 28.58 2nlu s GLN 7 CO 0.18 -0.08 1.35 0.21 -1.32 0.00 0.00 175.29 175.63 2nlu s LYS 8 N -1.08 3.38 0.05 9.60 2.20 -1.26 -4.98 119.74 127.64 2nlu s LYS 8 Ca 0.50 -0.68 0.03 0.00 -0.36 0.00 0.00 55.97 55.46 2nlu s LYS 8 Cb -0.36 -4.74 -0.04 0.00 -1.51 0.00 0.00 37.83 31.19 2nlu s LYS 8 CO 0.44 -2.17 0.01 -2.00 -0.36 0.00 0.00 175.35 171.27 2nlu s GLU 9 N 5.31 2.69 0.37 4.03 2.12 -1.26 -5.10 118.70 126.86 2nlu s GLU 9 Ca 0.40 -0.72 -0.25 0.00 0.36 0.00 0.00 54.97 54.76 2nlu s GLU 9 Cb -0.04 -2.62 -0.09 0.00 0.26 0.00 0.00 34.13 31.64 2nlu s GLU 9 CO 0.03 0.58 1.06 0.71 -0.54 0.00 0.00 175.26 177.10 2nlu s TYR 10 N -1.21 3.34 -0.08 5.30 2.02 -1.26 -5.03 117.35 120.43 2nlu s TYR 10 Ca 0.23 1.66 -0.20 0.00 -0.37 0.00 0.00 57.07 58.39 2nlu s TYR 10 Cb -0.12 -3.16 -0.04 0.00 -0.40 0.00 0.00 41.96 38.24 2nlu s TYR 10 CO 0.15 -0.60 0.56 0.15 -1.57 0.00 0.00 175.55 174.23 2nlu s LYS 11 N -2.27 4.35 -0.20 -0.62 1.02 -1.26 -5.01 119.74 115.75 2nlu s LYS 11 Ca 0.55 0.62 -0.28 0.00 0.02 0.00 0.00 55.97 56.87 2nlu s LYS 11 Cb -0.24 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.60 2nlu s LYS 11 CO 0.30 0.19 2.16 0.00 -0.92 0.00 0.00 175.35 177.09 2nlu n GLY 13 N 5.61 1.47 3.82 0.00 0.00 -0.82 -5.00 105.19 110.27 2nlu n GLY 13 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.90 5.63 -0.14 1.61 2.15 0.07 -4.70 116.67 119.39 2nlu s ASP 14 Ca 0.00 1.66 -0.02 0.00 0.43 0.00 0.00 52.55 54.61 2nlu s ASP 14 Cb 0.00 -2.51 -0.03 0.00 -0.30 0.00 0.00 42.92 40.09 2nlu s ASP 14 CO 0.00 -1.27 -0.06 -0.22 -0.17 0.00 0.00 175.17 173.45 2nlu s LEU 15 N -5.13 3.13 0.00 -1.34 1.98 -1.26 -0.33 118.68 115.73 2nlu s LEU 15 Ca 0.59 -0.15 0.02 0.00 -2.89 0.00 0.00 54.13 51.70 2nlu s LEU 15 Cb -0.14 -1.73 -0.01 0.00 0.66 0.00 0.00 46.19 44.97 2nlu s LEU 15 CO 0.48 0.20 0.28 1.33 -1.89 0.00 0.00 176.35 176.76 2nlu n VAL 16 N 3.31 0.00 -3.55 1.68 0.24 -0.17 -4.99 118.33 114.84 2nlu n VAL 16 Ca -0.18 -1.44 -0.38 0.00 -2.04 0.00 0.00 64.34 60.30 2nlu n VAL 16 Cb 0.53 0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 33.60 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 -3.29 3.26 -0.00 6.34 0.08 -1.26 -0.27 117.98 122.84 2nlu s PHE 17 Ca 0.24 0.25 -0.04 0.00 0.12 0.00 0.00 56.93 57.49 2nlu s PHE 17 Cb 0.00 -2.40 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 2nlu s PHE 17 CO 0.17 -0.10 0.22 0.00 -0.10 0.00 0.00 175.22 175.41 2nlu s ALA 18 N 1.59 3.91 -0.36 5.36 0.00 0.43 -4.82 121.76 127.87 2nlu s ALA 18 Ca 0.10 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 2nlu s ALA 18 Cb -0.15 -1.96 0.08 0.00 0.00 0.00 0.00 23.12 21.09 2nlu s ALA 18 CO 0.09 0.70 0.11 0.21 0.00 0.00 0.00 175.76 176.87 2nlu s LYS 19 N -1.85 2.14 0.23 0.00 2.20 -1.26 -0.45 119.74 120.75 2nlu s LYS 19 Ca 0.27 -1.60 0.11 0.00 -0.36 0.00 0.00 55.97 54.39 2nlu s LYS 19 Cb -0.13 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 2nlu s LYS 19 CO 0.17 -0.88 -0.18 1.41 -0.36 0.00 0.00 175.35 175.52 2nlu s MET 20 N 1.17 1.75 -0.07 4.03 1.75 -0.90 -4.99 119.30 122.05 2nlu s MET 20 Ca 0.03 -1.56 -0.29 0.00 -1.25 0.00 0.00 55.69 52.61 2nlu s MET 20 Cb -0.21 -1.90 -0.07 0.00 2.84 0.00 0.00 34.83 35.49 2nlu s MET 20 CO -0.03 0.38 1.95 0.21 -0.65 0.00 0.00 175.02 176.88 2nlu s LYS 21 N -3.12 3.84 0.00 4.11 2.47 -1.26 -0.95 119.74 124.83 2nlu s LYS 21 Ca 0.26 2.30 0.00 0.00 -1.56 0.00 0.00 55.97 56.97 2nlu s LYS 21 Cb -0.07 -4.18 0.00 0.00 -1.46 0.00 0.00 37.83 32.12 2nlu s LYS 21 CO 0.14 -1.28 0.00 0.41 0.16 0.00 0.00 175.35 174.78 2nlu n GLY 22 N 4.82 3.16 2.88 5.54 0.00 -1.26 -5.01 105.19 115.33 2nlu n GLY 22 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.75 2.86 -1.13 1.61 2.02 -0.12 -5.06 117.35 114.78 2nlu s TYR 23 Ca 0.00 -2.68 -0.21 0.00 -0.37 0.00 0.00 57.07 53.81 2nlu s TYR 23 Cb 0.00 -2.45 0.06 0.00 -0.40 0.00 0.00 41.96 39.16 2nlu s TYR 23 CO 0.00 -0.85 1.56 -1.25 -1.57 0.00 0.00 175.55 173.44 2nlu s PRO 24 N 0.64 3.74 -0.20 -1.71 0.04 -1.26 -2.13 135.00 134.13 2nlu s PRO 24 Ca 0.14 -1.46 -0.07 0.00 0.04 0.00 0.00 61.00 59.64 2nlu s PRO 24 Cb -0.21 -5.43 0.01 0.00 0.04 0.00 0.00 34.50 28.91 2nlu s PRO 24 CO -0.08 -2.23 0.26 0.72 0.04 0.00 0.00 177.00 175.72 2nlu n HIS 25 N 8.70 -1.62 -5.13 0.56 8.25 -1.15 -5.06 115.22 119.77 2nlu n HIS 25 Ca 0.39 0.66 -0.31 0.00 -0.26 0.00 0.00 57.72 58.20 2nlu n HIS 25 Cb 0.49 -2.70 -0.17 0.00 1.12 0.00 0.00 29.99 28.74 2nlu n HIS 25 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2nlu s TRP 26 N -1.70 2.36 -0.11 4.41 -0.11 0.41 -4.84 118.94 119.36 2nlu s TRP 26 Ca 0.11 -0.89 -0.36 0.00 1.22 0.00 0.00 56.10 56.17 2nlu s TRP 26 Cb -0.03 -1.58 -0.14 0.00 -1.50 0.00 0.00 33.47 30.22 2nlu s TRP 26 CO 0.35 -0.35 1.75 -2.30 -4.62 0.00 0.00 176.95 171.79 2nlu n PRO 27 N 3.42 1.75 -3.95 5.86 -0.02 -1.26 -0.43 135.00 140.36 2nlu n PRO 27 Ca -0.19 0.64 -0.09 0.00 -2.02 0.00 0.00 63.50 61.83 2nlu n PRO 27 Cb 0.53 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 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 3.20 0.00 0.03 3.55 0.00 0.62 -4.85 121.76 124.31 2nlu s ALA 28 Ca 0.92 -0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 2nlu s ALA 28 Cb -0.84 0.18 -0.06 0.00 0.00 0.00 0.00 23.12 22.40 2nlu s ALA 28 CO 0.54 -0.23 0.50 0.50 0.00 0.00 0.00 175.76 177.07 2nlu s ARG 29 N -1.96 4.11 0.06 0.00 3.52 -1.26 -1.00 118.95 122.42 2nlu s ARG 29 Ca -0.11 0.59 -0.22 0.00 -0.13 0.00 0.00 55.73 55.86 2nlu s ARG 29 Cb -0.06 -3.25 -0.06 0.00 -1.56 0.00 0.00 34.95 30.02 2nlu s ARG 29 CO -0.02 0.61 0.68 -1.50 -0.81 0.00 0.00 175.30 174.26 2nlu s ILE 30 N -0.92 4.71 0.28 4.11 -1.16 0.56 -4.97 121.20 123.81 2nlu s ILE 30 Ca 0.27 1.44 -0.21 0.00 -0.51 0.00 0.00 60.65 61.64 2nlu s ILE 30 Cb -0.18 -4.02 0.02 0.00 0.61 0.00 0.00 42.46 38.89 2nlu s ILE 30 CO 0.16 0.45 0.73 -0.62 -2.81 0.00 0.00 174.94 172.85 2nlu s ASP 31 N -0.55 -0.25 -0.07 4.50 2.15 -1.26 -1.95 116.67 119.24 2nlu s ASP 31 Ca 0.34 -0.63 -0.30 0.00 0.43 0.00 0.00 52.55 52.39 2nlu s ASP 31 Cb -0.20 0.73 0.10 0.00 -0.30 0.00 0.00 42.92 43.25 2nlu s ASP 31 CO 0.21 -1.36 0.86 -1.83 -0.17 0.00 0.00 175.17 172.88 2nlu s GLU 32 N -3.84 0.82 -0.46 4.34 -1.05 -1.26 -5.02 118.70 112.24 2nlu s GLU 32 Ca 0.11 0.03 -0.09 0.00 -0.15 0.00 0.00 54.97 54.86 2nlu s GLU 32 Cb -0.06 0.38 0.11 0.00 -0.44 0.00 0.00 34.13 34.12 2nlu s GLU 32 CO 0.07 -0.29 0.32 1.41 0.95 0.00 0.00 175.26 177.72 2nlu s MET 33 N -1.79 2.54 -0.38 -4.83 -2.45 -1.26 -5.05 119.30 106.07 2nlu s MET 33 Ca -0.02 -1.66 -0.27 0.00 -1.25 0.00 0.00 55.69 52.49 2nlu s MET 33 Cb -0.00 -3.89 0.02 0.00 1.25 0.00 0.00 34.83 32.20 2nlu s MET 33 CO 0.00 -1.12 0.97 -1.25 1.05 0.00 0.00 175.02 174.67 2nlu s PRO 34 N 1.39 3.84 0.06 4.11 0.05 -1.26 -4.86 135.00 138.32 2nlu s PRO 34 Ca 0.05 0.61 -0.24 0.00 0.05 0.00 0.00 61.00 61.47 2nlu s PRO 34 Cb -0.25 -3.81 -0.17 0.00 0.05 0.00 0.00 34.50 30.32 2nlu s PRO 34 CO 0.00 -1.01 1.59 0.93 0.05 0.00 0.00 177.00 178.57 2nlu h GLU 35 N 8.55 -0.05 -2.45 4.56 5.08 -1.96 -3.38 114.58 124.93 2nlu h GLU 35 Ca -0.23 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.55 2nlu h GLU 35 Cb 1.07 0.01 -0.38 0.00 0.50 0.00 0.00 28.75 29.95 2nlu h GLU 35 CO 1.01 0.10 -0.93 0.00 -1.00 0.00 0.00 179.01 178.19 2nlu s ALA 36 N -5.63 1.26 0.00 3.43 0.00 -1.26 -4.98 121.76 114.58 2nlu s ALA 36 Ca -0.14 -2.27 0.00 0.00 0.00 0.00 0.00 51.96 49.55 2nlu s ALA 36 Cb 0.05 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2nlu s ALA 36 CO 0.66 -2.02 0.00 0.00 0.00 0.00 0.00 175.76 174.40 2nlu n ALA 37 N 3.24 0.00 -2.42 0.00 0.00 -1.26 -4.69 120.51 115.38 2nlu n ALA 37 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.40 2nlu n ALA 37 Cb 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 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 2.05 0.00 0.00 0.11 -1.26 -4.80 120.40 116.50 2nlu s VAL 38 Ca 0.00 -1.53 0.00 0.00 -2.93 0.00 0.00 61.98 57.52 2nlu s VAL 38 Cb 0.00 -1.79 0.00 0.00 -1.53 0.00 0.00 36.38 33.06 2nlu s VAL 38 CO 0.00 0.16 0.91 2.29 -3.33 0.00 0.00 175.10 175.13 2nlu n LYS 39 N 1.33 2.37 -3.73 1.54 -0.00 -1.26 -4.51 118.16 113.90 2nlu n LYS 39 Ca -0.18 -1.32 -0.37 0.00 -0.00 0.00 0.00 58.31 56.44 2nlu n LYS 39 Cb 0.53 -0.97 -0.12 0.00 -0.00 0.00 0.00 35.03 34.47 2nlu n LYS 39 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2nlu s SER 40 N -0.83 5.32 -0.28 -5.58 0.01 -1.26 -5.03 113.70 106.06 2nlu s SER 40 Ca 0.00 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.11 2nlu s SER 40 Cb 0.00 -1.96 0.16 0.00 0.21 0.00 0.00 66.02 64.42 2nlu s SER 40 CO 0.00 -0.03 0.41 -0.89 0.41 0.00 0.00 173.24 173.14 2nlu s THR 41 N 1.61 -0.64 -0.29 1.44 2.01 -1.26 -5.14 115.64 113.37 2nlu s THR 41 Ca 0.06 -0.25 -0.19 0.00 0.31 0.00 0.00 61.69 61.63 2nlu s THR 41 Cb -0.15 -0.96 0.13 0.00 0.01 0.00 0.00 72.50 71.53 2nlu s THR 41 CO 0.05 -0.25 0.96 0.00 -0.69 0.00 0.00 174.62 174.69 2nlu s ALA 42 N 2.56 -2.12 0.00 7.40 0.00 -1.26 -5.05 121.76 123.28 2nlu s ALA 42 Ca 0.10 2.12 0.00 0.00 0.00 0.00 0.00 51.96 54.18 2nlu s ALA 42 Cb -0.13 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.41 2nlu s ALA 42 CO -0.27 -0.31 0.29 -1.71 0.00 0.00 0.00 175.76 173.75 2nlu n ASN 43 N 3.24 -0.03 -3.89 0.00 2.85 -1.26 -5.14 115.26 111.04 2nlu n ASN 43 Ca -0.17 -0.58 -0.15 0.00 -0.11 0.00 0.00 54.58 53.57 2nlu n ASN 43 Cb 0.57 0.01 -0.15 0.00 1.24 0.00 0.00 39.78 41.45 2nlu n ASN 43 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 2nlu s LYS 44 N 0.00 0.25 0.42 1.20 -2.85 -1.26 -4.11 119.74 113.39 2nlu s LYS 44 Ca 0.00 -0.06 0.07 0.00 -1.00 0.00 0.00 55.97 54.99 2nlu s LYS 44 Cb 0.00 -0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 35.42 2nlu s LYS 44 CO 0.00 0.01 0.16 0.71 0.10 0.00 0.00 175.35 176.33 2nlu s TYR 45 N 0.22 2.58 -0.77 1.78 2.02 0.59 -4.91 117.35 118.85 2nlu s TYR 45 Ca -0.02 -0.60 -0.20 0.00 -0.37 0.00 0.00 57.07 55.88 2nlu s TYR 45 Cb -0.04 -1.94 0.10 0.00 -0.40 0.00 0.00 41.96 39.68 2nlu s TYR 45 CO -0.01 0.21 1.00 -0.65 -1.57 0.00 0.00 175.55 174.53 2nlu s GLN 46 N -3.89 3.33 -0.54 -0.62 -0.21 -1.26 -2.05 119.66 114.41 2nlu s GLN 46 Ca 0.40 -1.34 -0.25 0.00 0.02 0.00 0.00 55.36 54.18 2nlu s GLN 46 Cb 0.04 -4.55 0.04 0.00 1.00 0.00 0.00 33.01 29.55 2nlu s GLN 46 CO 0.22 -1.75 0.98 0.08 -2.12 0.00 0.00 175.29 172.70 2nlu s VAL 47 N 3.19 4.34 -0.54 1.09 1.01 0.11 -4.89 120.40 124.71 2nlu s VAL 47 Ca 0.25 0.47 -0.22 0.00 0.00 0.00 0.00 61.98 62.49 2nlu s VAL 47 Cb -0.12 -4.55 0.05 0.00 0.00 0.00 0.00 36.38 31.76 2nlu s VAL 47 CO 0.00 -1.10 0.79 0.12 0.00 0.00 0.00 175.10 174.91 2nlu s PHE 48 N 4.09 2.91 -0.39 5.22 2.19 -1.26 -0.69 117.98 130.04 2nlu s PHE 48 Ca 0.34 -0.32 -0.27 0.00 0.33 0.00 0.00 56.93 57.00 2nlu s PHE 48 Cb -0.11 -3.84 -0.05 0.00 -1.31 0.00 0.00 43.02 37.71 2nlu s PHE 48 CO 0.22 -1.23 2.16 -0.06 1.83 0.00 0.00 175.22 178.14 2nlu s PHE 49 N 3.31 1.32 0.14 10.12 0.40 0.18 -4.81 117.98 128.64 2nlu s PHE 49 Ca 0.22 0.96 0.21 0.00 -0.60 0.00 0.00 56.93 57.72 2nlu s PHE 49 Cb -0.16 -3.86 0.76 0.00 0.51 0.00 0.00 43.02 40.26 2nlu s PHE 49 CO 0.15 -3.07 1.76 0.35 0.70 0.00 0.00 175.22 175.11 2nlu h PHE 50 N 16.27 0.00 0.31 0.36 3.57 -1.94 0.18 116.94 135.68 2nlu h PHE 50 Ca -0.32 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 2nlu h PHE 50 Cb 1.23 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.97 2nlu h PHE 50 CO 0.97 0.31 -0.15 0.78 -2.23 0.00 0.00 178.31 177.99 2nlu h GLY 51 N 2.11 -0.43 -0.80 2.40 0.00 -1.87 -3.32 103.07 101.15 2nlu h GLY 51 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2nlu h GLY 51 CO 0.04 -0.16 0.00 -1.30 0.00 0.00 0.00 176.54 175.12 2nlu n THR 52 N -5.06 0.01 -2.32 4.70 -2.24 -1.23 -4.93 114.28 103.20 2nlu n THR 52 Ca -0.08 -0.31 -0.16 0.00 -2.27 0.00 0.00 64.05 61.23 2nlu n THR 52 Cb 0.25 0.72 -0.01 0.00 -2.10 0.00 0.00 70.33 69.20 2nlu n THR 52 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2nlu n HIS 53 N 0.44 -0.78 -4.38 4.78 -0.00 0.55 -4.99 115.22 110.84 2nlu n HIS 53 Ca 0.18 0.01 -0.32 0.00 -0.00 0.00 0.00 57.72 57.59 2nlu n HIS 53 Cb 0.41 -3.29 -0.10 0.00 -0.00 0.00 0.00 29.99 27.02 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 -4.82 2.58 -0.22 -0.41 2.02 -0.80 -4.92 118.70 112.14 2nlu s GLU 54 Ca 0.01 -0.72 -0.12 0.00 0.02 0.00 0.00 54.97 54.15 2nlu s GLU 54 Cb -0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 34.13 31.65 2nlu s GLU 54 CO 0.01 0.60 0.25 0.99 0.02 0.00 0.00 175.26 177.12 2nlu s THR 55 N -1.05 5.31 0.30 3.63 2.01 -1.26 0.50 115.64 125.07 2nlu s THR 55 Ca 0.18 0.38 0.03 0.00 0.31 0.00 0.00 61.69 62.60 2nlu s THR 55 Cb -0.11 -3.58 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 2nlu s THR 55 CO 0.09 0.33 0.05 0.00 -0.69 0.00 0.00 174.62 174.40 2nlu s ALA 56 N 1.02 2.18 -0.26 7.40 0.00 0.13 -4.97 121.76 127.26 2nlu s ALA 56 Ca 0.12 -1.98 0.03 0.00 0.00 0.00 0.00 51.96 50.13 2nlu s ALA 56 Cb -0.14 0.67 0.06 0.00 0.00 0.00 0.00 23.12 23.72 2nlu s ALA 56 CO 0.05 -0.31 -0.09 -0.06 0.00 0.00 0.00 175.76 175.35 2nlu s PHE 57 N -3.37 3.18 0.27 0.00 0.08 -1.26 0.04 117.98 116.92 2nlu s PHE 57 Ca 0.35 -2.29 0.08 0.00 0.12 0.00 0.00 56.93 55.18 2nlu s PHE 57 Cb 0.08 -1.95 -0.06 0.00 -0.57 0.00 0.00 43.02 40.52 2nlu s PHE 57 CO 0.14 -0.87 -0.09 -0.51 -0.10 0.00 0.00 175.22 173.79 2nlu s LEU 58 N 1.13 2.53 0.59 -0.37 1.02 -0.87 -4.88 118.68 117.83 2nlu s LEU 58 Ca -0.07 -1.15 0.07 0.00 0.02 0.00 0.00 54.13 53.00 2nlu s LEU 58 Cb -0.20 -0.72 0.08 0.00 0.02 0.00 0.00 46.19 45.37 2nlu s LEU 58 CO -0.05 -0.26 0.81 -0.83 0.02 0.00 0.00 176.35 176.03 2nlu s GLY 59 N -3.44 1.77 0.36 -3.19 0.00 -1.26 -0.30 107.32 101.26 2nlu s GLY 59 Ca 0.29 -1.94 0.03 0.00 0.00 0.00 0.00 44.72 43.10 2nlu s GLY 59 CO 0.12 -1.50 2.00 -0.56 0.00 0.00 0.00 173.10 173.16 2nlu h PRO 60 N 0.06 0.73 0.00 2.90 0.13 -1.92 -2.03 132.00 131.87 2nlu h PRO 60 Ca -0.33 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2nlu h PRO 60 Cb 1.28 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2nlu h PRO 60 CO 0.42 0.51 0.00 0.36 -0.23 0.00 0.00 178.00 179.06 2nlu n LYS 61 N -4.43 0.01 -0.12 0.86 2.85 -1.26 -2.12 118.16 113.95 2nlu n LYS 61 Ca 0.05 0.13 0.10 0.00 -1.05 0.00 0.00 58.31 57.54 2nlu n LYS 61 Cb 0.07 -1.51 0.15 0.00 -0.65 0.00 0.00 35.03 33.10 2nlu n LYS 61 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2nlu n ASP 62 N -1.53 3.00 -4.22 -5.58 8.00 -0.77 -4.92 116.55 110.54 2nlu n ASP 62 Ca 0.05 -1.88 -0.28 0.00 0.71 0.00 0.00 54.79 53.39 2nlu n ASP 62 Cb 0.26 -0.16 -0.16 0.00 -0.02 0.00 0.00 41.12 41.04 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 -1.35 2.03 0.01 0.64 2.96 -0.90 -4.92 118.68 117.15 2nlu s LEU 63 Ca 0.29 -0.39 0.06 0.00 -0.22 0.00 0.00 54.13 53.87 2nlu s LEU 63 Cb 0.18 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.75 2nlu s LEU 63 CO 0.25 0.25 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.99 2nlu s PHE 64 N -0.41 1.60 0.65 5.38 0.08 -1.26 -4.93 117.98 119.09 2nlu s PHE 64 Ca 0.06 -0.33 -0.17 0.00 0.12 0.00 0.00 56.93 56.61 2nlu s PHE 64 Cb -0.09 -0.99 -0.09 0.00 -0.57 0.00 0.00 43.02 41.28 2nlu s PHE 64 CO -0.00 0.02 0.24 -0.35 -0.10 0.00 0.00 175.22 175.04 2nlu n PRO 65 N 2.27 0.25 -0.07 0.24 -0.04 -1.26 -4.86 135.00 131.54 2nlu n PRO 65 Ca -0.16 0.11 -0.06 0.00 -0.04 0.00 0.00 63.50 63.35 2nlu n PRO 65 Cb 0.54 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 2nlu n PRO 65 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2nlu h TYR 66 N -0.18 0.00 -0.05 0.54 3.20 -2.00 -2.54 116.97 115.95 2nlu h TYR 66 Ca -0.44 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.31 2nlu h TYR 66 Cb 1.38 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.64 2nlu h TYR 66 CO 0.30 0.27 -0.49 1.49 -1.64 0.00 0.00 178.16 178.08 2nlu h GLU 67 N -1.00 0.12 0.00 1.82 4.81 -2.00 -3.02 114.58 115.31 2nlu h GLU 67 Ca -0.04 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2nlu h GLU 67 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2nlu h GLU 67 CO -0.02 0.59 -0.49 0.39 -0.73 0.00 0.00 179.01 178.75 2nlu n GLU 68 N -3.96 0.38 0.24 1.92 1.02 -1.26 -4.43 120.64 114.55 2nlu n GLU 68 Ca -0.02 0.42 0.16 0.00 -0.02 0.00 0.00 57.16 57.70 2nlu n GLU 68 Cb 0.52 -1.46 0.68 0.00 -0.02 0.00 0.00 31.44 31.16 2nlu n GLU 68 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2nlu h SER 69 N -0.81 0.00 -0.75 1.62 0.02 -1.62 -1.47 113.55 110.55 2nlu h SER 69 Ca 0.00 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.12 2nlu h SER 69 Cb 0.49 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.98 2nlu h SER 69 CO 0.00 0.00 0.51 0.50 -1.14 0.00 0.00 176.83 176.70 2nlu h LYS 70 N 0.00 0.29 -0.05 3.45 3.64 -1.56 -0.09 116.57 122.25 2nlu h LYS 70 Ca 0.00 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.18 2nlu h LYS 70 Cb 0.40 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2nlu h LYS 70 CO 0.00 0.19 -0.74 0.93 -2.27 0.00 0.00 179.45 177.56 2nlu h GLU 71 N 0.30 0.32 0.00 1.90 5.08 -1.49 -2.46 114.58 118.22 2nlu h GLU 71 Ca 0.37 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 2nlu h GLU 71 Cb 1.01 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2nlu h GLU 71 CO -0.10 0.93 -0.52 0.87 -1.00 0.00 0.00 179.01 179.19 2nlu h LYS 72 N 0.21 0.00 -0.27 2.33 6.56 -1.14 -2.94 116.57 121.33 2nlu h LYS 72 Ca -0.03 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.46 2nlu h LYS 72 Cb 1.32 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.92 2nlu h LYS 72 CO 0.12 0.52 -0.08 1.19 -2.06 0.00 0.00 179.45 179.14 2nlu n PHE 73 N -3.38 0.86 -1.86 -1.35 3.72 -0.70 -4.91 117.46 109.84 2nlu n PHE 73 Ca 0.01 -1.33 -0.38 0.00 -0.05 0.00 0.00 57.45 55.70 2nlu n PHE 73 Cb 0.67 -0.39 -0.04 0.00 -0.94 0.00 0.00 39.48 38.78 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 -0.99 2.37 2.68 1.37 0.00 -0.93 -4.76 105.19 104.94 2nlu n GLY 74 Ca 0.27 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 2nlu n GLY 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nlu s LYS 75 N 5.01 0.85 0.52 1.61 2.20 -1.26 -5.06 119.74 123.60 2nlu s LYS 75 Ca 0.59 -1.38 -0.08 0.00 -0.36 0.00 0.00 55.97 54.73 2nlu s LYS 75 Cb 0.07 -1.97 -0.04 0.00 -1.51 0.00 0.00 37.83 34.38 2nlu s LYS 75 CO 0.08 -1.07 0.87 -1.25 -0.36 0.00 0.00 175.35 173.62 2nlu s PRO 76 N 1.16 3.62 -0.77 4.03 0.05 -1.26 -4.59 135.00 137.24 2nlu s PRO 76 Ca 0.13 0.45 -0.01 0.00 0.05 0.00 0.00 61.00 61.63 2nlu s PRO 76 Cb -0.20 -2.27 0.00 0.00 0.05 0.00 0.00 34.50 32.08 2nlu s PRO 76 CO -0.14 -0.30 0.66 0.09 0.05 0.00 0.00 177.00 177.36 2nlu n ASN 77 N -2.23 -6.66 -0.08 6.66 4.13 -1.26 -4.95 115.26 110.86 2nlu n ASN 77 Ca 0.03 -0.40 -0.13 0.00 1.68 0.00 0.00 54.58 55.75 2nlu n ASN 77 Cb 0.55 -3.90 -0.14 0.00 -1.54 0.00 0.00 39.78 34.74 2nlu n ASN 77 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2nlu n LYS 78 N -2.06 0.68 -3.62 3.52 4.81 -1.26 -5.00 118.16 115.22 2nlu n LYS 78 Ca -0.12 0.12 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 2nlu n LYS 78 Cb 0.58 -1.59 -0.02 0.00 0.02 0.00 0.00 35.03 34.01 2nlu n LYS 78 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2nlu s ARG 79 N -2.53 1.36 0.12 1.64 1.70 -1.26 -5.04 118.95 114.93 2nlu s ARG 79 Ca -0.17 -0.64 -0.22 0.00 -0.47 0.00 0.00 55.73 54.23 2nlu s ARG 79 Cb 0.07 0.54 -0.07 0.00 -0.57 0.00 0.00 34.95 34.92 2nlu s ARG 79 CO 0.76 -0.61 1.70 0.87 -1.08 0.00 0.00 175.30 176.94 2nlu h LYS 80 N 2.00 -0.12 0.00 3.89 1.79 -1.98 0.26 116.57 122.41 2nlu h LYS 80 Ca -0.26 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.20 2nlu h LYS 80 Cb 1.27 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2nlu h LYS 80 CO 0.30 -0.08 -0.11 0.78 -1.08 0.00 0.00 179.45 179.26 2nlu h GLY 81 N -0.13 0.00 0.00 3.86 0.00 -1.96 0.22 103.07 105.06 2nlu h GLY 81 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2nlu h GLY 81 CO -0.14 0.00 -0.10 -2.75 0.00 0.00 0.00 176.54 173.55 2nlu h PHE 82 N 0.00 0.00 -0.17 5.60 3.57 -1.66 -2.61 116.94 121.66 2nlu h PHE 82 Ca -0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2nlu h PHE 82 Cb 0.43 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2nlu h PHE 82 CO 0.00 0.98 -0.05 0.66 -2.23 0.00 0.00 178.31 177.67 2nlu h SER 83 N -1.00 0.35 1.87 0.41 4.64 -0.15 0.33 113.55 120.00 2nlu h SER 83 Ca -0.03 -0.38 -0.03 0.00 -0.47 0.00 0.00 61.79 60.88 2nlu h SER 83 Cb 0.97 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2nlu h SER 83 CO -0.02 0.65 -0.13 -0.33 -0.87 0.00 0.00 176.83 176.13 2nlu h GLU 84 N 0.04 0.00 0.02 4.77 3.07 -0.78 -2.25 114.58 119.46 2nlu h GLU 84 Ca 0.04 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.66 2nlu h GLU 84 Cb 0.50 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.43 2nlu h GLU 84 CO 0.02 0.13 -0.97 0.78 -1.40 0.00 0.00 179.01 177.57 2nlu h GLY 85 N 3.87 0.69 1.01 -3.84 0.00 -1.29 -1.68 103.07 101.83 2nlu h GLY 85 Ca -0.00 -1.25 -0.02 0.00 0.00 0.00 0.00 47.33 46.06 2nlu h GLY 85 CO 0.02 1.10 0.37 -2.00 0.00 0.00 0.00 176.54 176.03 2nlu h LEU 86 N 0.24 0.92 -0.53 3.11 7.12 -0.26 -1.77 115.31 124.15 2nlu h LEU 86 Ca -0.13 -0.12 -0.09 0.00 0.13 0.00 0.00 57.88 57.67 2nlu h LEU 86 Cb 1.64 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 41.51 2nlu h LEU 86 CO 0.19 0.78 -0.04 -0.25 -0.13 0.00 0.00 178.44 178.99 2nlu h TRP 87 N 1.00 1.05 -0.85 1.25 7.01 -1.47 -2.15 115.95 121.80 2nlu h TRP 87 Ca 0.25 -0.20 0.06 0.00 2.11 0.00 0.00 58.89 61.11 2nlu h TRP 87 Cb 0.08 -0.27 -0.05 0.00 -2.10 0.00 0.00 29.16 26.82 2nlu h TRP 87 CO 0.00 0.98 0.55 1.49 -2.79 0.00 0.00 178.44 178.67 2nlu h GLU 88 N 0.83 0.94 0.01 2.65 4.57 -0.76 -2.77 114.58 120.05 2nlu h GLU 88 Ca 0.14 -0.06 -0.27 0.00 -1.18 0.00 0.00 59.36 58.00 2nlu h GLU 88 Cb 0.58 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 2nlu h GLU 88 CO 0.03 0.62 -1.49 -0.84 -1.18 0.00 0.00 179.01 176.16 2nlu h ILE 89 N 0.97 1.13 -0.92 2.32 -0.00 -1.24 -3.36 117.51 116.41 2nlu h ILE 89 Ca 0.36 -2.92 0.01 0.00 -0.00 0.00 0.00 64.86 62.30 2nlu h ILE 89 Cb 0.18 2.58 -0.05 0.00 -0.00 0.00 0.00 36.82 39.53 2nlu h ILE 89 CO -0.13 0.67 0.60 -0.08 -0.00 0.00 0.00 178.15 179.21 2nlu h GLU 90 N 0.01 1.22 -0.20 0.16 4.57 -1.09 -1.94 114.58 117.31 2nlu h GLU 90 Ca -0.20 -0.08 -0.20 0.00 -1.18 0.00 0.00 59.36 57.70 2nlu h GLU 90 Cb 1.94 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 30.26 2nlu h GLU 90 CO 0.10 0.82 -0.65 -2.95 -1.18 0.00 0.00 179.01 175.15 2nlu h ASN 91 N 1.26 0.87 -0.39 1.04 7.08 -1.73 -3.45 115.58 120.25 2nlu h ASN 91 Ca 0.34 -0.51 0.22 0.00 -3.08 0.00 0.00 56.30 53.26 2nlu h ASN 91 Cb -0.12 -0.25 -0.21 0.00 -2.08 0.00 0.00 38.32 35.66 2nlu h ASN 91 CO -0.07 1.30 0.07 0.21 -2.08 0.00 0.00 177.43 176.85 2nlu s ASN 92 N -7.01 -0.56 0.53 6.14 2.47 -0.77 -5.04 114.94 110.70 2nlu s ASN 92 Ca -0.10 0.30 0.26 0.00 0.42 0.00 0.00 52.86 53.75 2nlu s ASN 92 Cb 0.10 1.45 1.50 0.00 -1.45 0.00 0.00 41.25 42.84 2nlu s ASN 92 CO 0.88 -0.10 2.12 -0.65 -3.72 0.00 0.00 177.10 175.63 2nlu h PRO 93 N 7.90 0.00 -3.03 0.43 0.11 -1.71 -3.30 132.00 132.40 2nlu h PRO 93 Ca -0.13 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.36 2nlu h PRO 93 Cb 1.17 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.87 2nlu h PRO 93 CO -0.06 0.09 -0.60 2.41 -0.21 0.00 0.00 178.00 179.63 2nlu n THR 94 N -3.81 1.47 -2.60 -1.15 -1.04 -1.26 -4.98 114.28 100.90 2nlu n THR 94 Ca -0.02 -4.78 -0.42 0.00 -2.04 0.00 0.00 64.05 56.78 2nlu n THR 94 Cb 0.19 -2.15 -0.03 0.00 -1.82 0.00 0.00 70.33 66.52 2nlu n THR 94 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2nlu s VAL 95 N -1.39 4.58 -0.66 12.58 0.11 -1.24 -4.99 120.40 129.39 2nlu s VAL 95 Ca 0.26 1.87 0.05 0.00 -2.93 0.00 0.00 61.98 61.23 2nlu s VAL 95 Cb -0.03 -4.20 0.18 0.00 -1.53 0.00 0.00 36.38 30.79 2nlu s VAL 95 CO -0.17 0.00 0.50 1.17 -3.33 0.00 0.00 175.10 173.27 2nlu n LYS 96 N 5.08 1.68 0.00 1.54 4.81 -1.26 -5.00 118.16 125.01 2nlu n LYS 96 Ca 0.10 -4.32 0.00 0.00 -0.87 0.00 0.00 58.31 53.21 2nlu n LYS 96 Cb 0.48 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.34 2nlu n LYS 96 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2nlu n ALA 97 N 1.95 0.00 -2.99 3.14 0.00 -1.26 -4.59 120.51 116.75 2nlu n ALA 97 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.54 2nlu n ALA 97 Cb 0.38 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.70 2nlu n ALA 97 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2nlu s SER 98 N -4.00 -0.09 -0.92 0.00 0.01 -1.26 -5.06 113.70 102.38 2nlu s SER 98 Ca 0.00 0.17 -0.07 0.00 1.31 0.00 0.00 55.95 57.36 2nlu s SER 98 Cb 0.00 0.22 -0.07 0.00 0.21 0.00 0.00 66.02 66.38 2nlu s SER 98 CO 0.00 -0.07 2.99 0.61 0.41 0.00 0.00 173.24 177.18 2nlu n GLY 99 N 2.88 4.14 0.00 3.44 0.00 -1.26 -5.21 105.19 109.19 2nlu n GLY 99 Ca -0.13 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2nlu n GLY 99 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90