#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 6.38 -0.20 7.83 0.15 -1.26 -4.84 113.70 121.75 2nlu s SER 2 Ca 0.00 -0.05 -0.20 0.00 0.70 0.00 0.00 55.95 56.41 2nlu s SER 2 Cb 0.00 -2.55 -0.19 0.00 -1.71 0.00 0.00 66.02 61.57 2nlu s SER 2 CO 0.00 -1.54 0.20 -1.14 1.20 0.00 0.00 173.24 171.95 2nlu n ARG 3 N 8.58 0.59 -3.81 5.44 0.63 -1.26 -4.84 116.66 121.99 2nlu n ARG 3 Ca 0.07 0.53 -0.36 0.00 -0.92 0.00 0.00 57.85 57.16 2nlu n ARG 3 Cb 0.49 -1.73 -0.13 0.00 0.45 0.00 0.00 32.46 31.54 2nlu n ARG 3 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2nlu s SER 4 N -6.91 4.90 0.67 6.15 0.15 -1.26 -5.10 113.70 112.29 2nlu s SER 4 Ca -0.29 -0.61 -0.06 0.00 0.70 0.00 0.00 55.95 55.69 2nlu s SER 4 Cb 0.06 -1.84 0.05 0.00 -1.71 0.00 0.00 66.02 62.59 2nlu s SER 4 CO 0.60 -0.14 0.97 0.21 1.20 0.00 0.00 173.24 176.09 2nlu s ASN 5 N 1.49 4.98 1.73 5.45 3.84 -1.26 -4.82 114.94 126.35 2nlu s ASN 5 Ca 0.03 0.45 0.00 0.00 0.21 0.00 0.00 52.86 53.55 2nlu s ASN 5 Cb -0.16 -1.17 0.00 0.00 -0.55 0.00 0.00 41.25 39.36 2nlu s ASN 5 CO 0.01 -1.47 0.00 0.54 -2.79 0.00 0.00 177.10 173.39 2nlu n ARG 6 N -2.81 0.00 -4.39 0.43 1.74 -1.26 -4.70 116.66 105.67 2nlu n ARG 6 Ca 0.07 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.92 2nlu n ARG 6 Cb 0.60 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.93 2nlu n ARG 6 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2nlu s GLN 7 N 0.00 1.45 -0.07 5.56 -2.07 -1.26 -5.07 119.66 118.20 2nlu s GLN 7 Ca 0.00 -1.55 -0.08 0.00 -1.82 0.00 0.00 55.36 51.91 2nlu s GLN 7 Cb 0.00 -1.57 -0.03 0.00 -1.09 0.00 0.00 33.01 30.33 2nlu s GLN 7 CO 0.00 0.31 -0.15 1.63 -1.32 0.00 0.00 175.29 175.76 2nlu n LYS 8 N -0.02 0.23 0.00 9.60 5.02 -1.26 -5.09 118.16 126.64 2nlu n LYS 8 Ca -0.10 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2nlu n LYS 8 Cb 0.58 -0.86 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 2nlu n LYS 8 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2nlu n GLU 9 N -3.44 0.00 -4.08 1.97 -0.58 -1.26 -4.63 120.64 108.63 2nlu n GLU 9 Ca -0.06 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.36 2nlu n GLU 9 Cb 0.22 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 30.94 2nlu n GLU 9 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2nlu s TYR 10 N 0.00 3.17 0.06 -0.32 2.02 -1.26 -5.11 117.35 115.91 2nlu s TYR 10 Ca 0.00 -2.18 -0.22 0.00 -0.37 0.00 0.00 57.07 54.29 2nlu s TYR 10 Cb 0.00 -1.93 -0.06 0.00 -0.40 0.00 0.00 41.96 39.57 2nlu s TYR 10 CO 0.00 -0.86 0.67 0.15 -1.57 0.00 0.00 175.55 173.94 2nlu s LYS 11 N 1.14 4.39 -0.26 -0.62 1.02 -1.26 -4.95 119.74 119.20 2nlu s LYS 11 Ca -0.06 0.91 -0.40 0.00 0.02 0.00 0.00 55.97 56.44 2nlu s LYS 11 Cb -0.19 -3.31 -0.16 0.00 -0.52 0.00 0.00 37.83 33.66 2nlu s LYS 11 CO -0.07 0.45 1.72 0.00 -0.92 0.00 0.00 175.35 176.53 2nlu n GLY 13 N 4.10 1.30 3.96 0.00 0.00 0.13 -4.94 105.19 109.74 2nlu n GLY 13 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 5.03 -0.01 1.61 -1.08 -0.57 -4.86 116.67 114.80 2nlu s ASP 14 Ca 0.00 0.09 0.08 0.00 -0.52 0.00 0.00 52.55 52.20 2nlu s ASP 14 Cb 0.00 -0.85 -0.02 0.00 -1.46 0.00 0.00 42.92 40.59 2nlu s ASP 14 CO 0.00 -1.36 -0.26 -0.22 0.52 0.00 0.00 175.17 173.85 2nlu s LEU 15 N -4.95 2.07 0.34 -1.34 1.98 -1.26 -0.90 118.68 114.63 2nlu s LEU 15 Ca 0.59 -0.49 -0.09 0.00 -2.89 0.00 0.00 54.13 51.25 2nlu s LEU 15 Cb -0.10 -1.33 0.02 0.00 0.66 0.00 0.00 46.19 45.44 2nlu s LEU 15 CO 0.41 0.31 0.59 0.68 -1.89 0.00 0.00 176.35 176.44 2nlu s VAL 16 N -0.65 0.00 -0.35 1.68 -7.23 -0.41 -4.98 120.40 108.47 2nlu s VAL 16 Ca 0.10 -1.36 -0.16 0.00 -1.81 0.00 0.00 61.98 58.75 2nlu s VAL 16 Cb -0.10 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 2nlu s VAL 16 CO -0.00 0.00 0.42 -0.36 -0.31 0.00 0.00 175.10 174.85 2nlu s PHE 17 N -2.96 3.20 0.06 2.82 0.40 -1.26 -0.14 117.98 120.10 2nlu s PHE 17 Ca 0.24 0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.63 2nlu s PHE 17 Cb -0.02 -2.78 -0.04 0.00 0.51 0.00 0.00 43.02 40.69 2nlu s PHE 17 CO 0.16 -0.48 0.07 0.00 0.70 0.00 0.00 175.22 175.66 2nlu s ALA 18 N 2.17 3.53 -0.06 5.36 0.00 0.82 -4.85 121.76 128.72 2nlu s ALA 18 Ca 0.14 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.16 2nlu s ALA 18 Cb -0.16 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.52 2nlu s ALA 18 CO 0.12 0.73 -0.24 -1.59 0.00 0.00 0.00 175.76 174.79 2nlu s LYS 19 N -2.24 2.54 0.21 0.00 -2.85 -1.26 0.21 119.74 116.35 2nlu s LYS 19 Ca 0.27 -0.87 0.10 0.00 -1.00 0.00 0.00 55.97 54.48 2nlu s LYS 19 Cb -0.12 -2.12 -0.04 0.00 -2.06 0.00 0.00 37.83 33.49 2nlu s LYS 19 CO 0.20 0.34 -0.13 1.41 0.10 0.00 0.00 175.35 177.26 2nlu s MET 20 N -0.07 1.90 -0.10 1.78 1.75 -0.95 -5.02 119.30 118.60 2nlu s MET 20 Ca -0.06 -1.44 -0.29 0.00 -1.25 0.00 0.00 55.69 52.65 2nlu s MET 20 Cb -0.14 -2.02 -0.06 0.00 2.84 0.00 0.00 34.83 35.45 2nlu s MET 20 CO 0.04 0.40 1.98 0.21 -0.65 0.00 0.00 175.02 177.00 2nlu s LYS 21 N -3.04 3.75 0.00 4.11 2.47 -1.26 -0.51 119.74 125.26 2nlu s LYS 21 Ca 0.26 2.24 0.00 0.00 -1.56 0.00 0.00 55.97 56.90 2nlu s LYS 21 Cb -0.08 -4.20 0.00 0.00 -1.46 0.00 0.00 37.83 32.09 2nlu s LYS 21 CO 0.15 -1.39 0.00 0.41 0.16 0.00 0.00 175.35 174.67 2nlu n GLY 22 N 4.95 1.13 3.16 5.54 0.00 -1.26 -5.03 105.19 113.68 2nlu n GLY 22 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.57 2.24 0.71 1.61 1.51 0.33 -5.14 117.35 116.04 2nlu s TYR 23 Ca 0.00 -0.90 -0.12 0.00 -1.01 0.00 0.00 57.07 55.04 2nlu s TYR 23 Cb 0.00 -1.52 0.18 0.00 -0.11 0.00 0.00 41.96 40.51 2nlu s TYR 23 CO 0.00 -0.38 0.45 -2.30 -1.11 0.00 0.00 175.55 172.22 2nlu n PRO 24 N 3.59 -3.16 -2.44 -1.71 -0.02 -1.26 -2.25 135.00 127.76 2nlu n PRO 24 Ca -0.20 -0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 60.13 2nlu n PRO 24 Cb 0.53 -0.92 -0.03 0.00 -0.02 0.00 0.00 33.50 33.06 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 -1.64 2.20 -0.12 6.00 3.76 -1.26 -4.19 115.29 120.04 2nlu s HIS 25 Ca 0.34 -0.02 -0.05 0.00 -0.15 0.00 0.00 55.06 55.18 2nlu s HIS 25 Cb -0.05 -4.52 -0.04 0.00 1.11 0.00 0.00 32.58 29.08 2nlu s HIS 25 CO 0.28 -2.07 0.06 -0.46 -0.85 0.00 0.00 174.74 171.69 2nlu s TRP 26 N 6.41 3.33 -0.12 1.40 -0.11 0.13 -4.78 118.94 125.20 2nlu s TRP 26 Ca 0.45 0.29 -0.31 0.00 1.22 0.00 0.00 56.10 57.74 2nlu s TRP 26 Cb -0.07 -1.89 -0.09 0.00 -1.50 0.00 0.00 33.47 29.91 2nlu s TRP 26 CO 0.10 0.51 2.04 -0.35 -4.62 0.00 0.00 176.95 174.63 2nlu n PRO 27 N 2.34 2.20 -4.15 5.86 -0.04 -1.26 -0.13 135.00 139.81 2nlu n PRO 27 Ca -0.19 0.74 -0.16 0.00 -0.04 0.00 0.00 63.50 63.86 2nlu n PRO 27 Cb 0.54 -2.90 -0.13 0.00 -0.04 0.00 0.00 33.50 30.98 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 5.75 0.71 0.14 0.55 0.00 0.80 -4.88 121.76 124.82 2nlu s ALA 28 Ca 0.96 -0.66 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 2nlu s ALA 28 Cb -0.54 -0.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.47 2nlu s ALA 28 CO 0.44 0.07 0.48 1.03 0.00 0.00 0.00 175.76 177.78 2nlu s ARG 29 N -1.15 3.83 -0.12 0.00 0.52 -1.26 -1.29 118.95 119.48 2nlu s ARG 29 Ca -0.04 0.28 -0.09 0.00 -0.52 0.00 0.00 55.73 55.35 2nlu s ARG 29 Cb -0.08 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 2nlu s ARG 29 CO 0.01 0.48 0.18 0.42 0.02 0.00 0.00 175.30 176.40 2nlu s ILE 30 N -1.53 5.42 -0.06 1.52 -1.09 -0.08 -4.97 121.20 120.42 2nlu s ILE 30 Ca 0.38 0.31 -0.24 0.00 -2.23 0.00 0.00 60.65 58.87 2nlu s ILE 30 Cb -0.14 -3.47 0.05 0.00 -1.58 0.00 0.00 42.46 37.33 2nlu s ILE 30 CO 0.20 0.57 0.54 -0.62 -1.23 0.00 0.00 174.94 174.40 2nlu s ASP 31 N -0.72 -0.49 -0.14 3.58 2.15 -1.26 0.18 116.67 119.96 2nlu s ASP 31 Ca 0.15 0.55 -0.29 0.00 0.43 0.00 0.00 52.55 53.39 2nlu s ASP 31 Cb -0.13 0.53 0.10 0.00 -0.30 0.00 0.00 42.92 43.12 2nlu s ASP 31 CO 0.04 -0.51 0.84 -0.70 -0.17 0.00 0.00 175.17 174.67 2nlu s GLU 32 N -1.07 0.81 -0.20 4.34 2.56 -1.26 -4.97 118.70 118.91 2nlu s GLU 32 Ca -0.11 0.33 -0.05 0.00 0.00 0.00 0.00 54.97 55.15 2nlu s GLU 32 Cb -0.02 0.38 0.07 0.00 2.00 0.00 0.00 34.13 36.57 2nlu s GLU 32 CO 0.07 -0.23 0.12 1.41 -0.56 0.00 0.00 175.26 176.07 2nlu s MET 33 N -0.85 0.11 0.29 4.30 -2.45 -1.26 -4.89 119.30 114.56 2nlu s MET 33 Ca -0.05 -0.14 -0.30 0.00 -1.25 0.00 0.00 55.69 53.95 2nlu s MET 33 Cb -0.01 -1.58 -0.11 0.00 1.25 0.00 0.00 34.83 34.37 2nlu s MET 33 CO 0.04 -0.75 1.57 -1.25 1.05 0.00 0.00 175.02 175.69 2nlu s PRO 34 N 2.16 4.13 0.17 4.11 0.04 -1.26 -4.91 135.00 139.44 2nlu s PRO 34 Ca 0.04 2.55 -0.16 0.00 0.04 0.00 0.00 61.00 63.48 2nlu s PRO 34 Cb -0.16 -3.03 0.12 0.00 0.04 0.00 0.00 34.50 31.47 2nlu s PRO 34 CO -0.16 -0.61 1.69 0.93 0.04 0.00 0.00 177.00 178.90 2nlu h GLU 35 N 4.74 0.08 -0.96 4.56 4.39 -1.83 -3.39 114.58 122.17 2nlu h GLU 35 Ca -0.47 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.19 2nlu h GLU 35 Cb 1.22 -0.02 -0.19 0.00 -0.10 0.00 0.00 28.75 29.66 2nlu h GLU 35 CO 0.78 0.06 -0.42 0.00 -1.16 0.00 0.00 179.01 178.27 2nlu s ALA 36 N -6.18 -2.48 0.00 3.43 0.00 -1.26 -4.97 121.76 110.30 2nlu s ALA 36 Ca -0.13 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2nlu s ALA 36 Cb 0.14 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.55 2nlu s ALA 36 CO 0.71 -2.14 0.00 0.00 0.00 0.00 0.00 175.76 174.33 2nlu n ALA 37 N 4.62 0.00 -2.58 0.00 0.00 -1.26 -4.73 120.51 116.55 2nlu n ALA 37 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.27 2nlu n ALA 37 Cb 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 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 3.23 -1.27 0.00 0.11 -1.26 -4.86 120.40 116.35 2nlu s VAL 38 Ca 0.00 -1.72 -0.16 0.00 -2.93 0.00 0.00 61.98 57.17 2nlu s VAL 38 Cb 0.00 -2.63 0.11 0.00 -1.53 0.00 0.00 36.38 32.34 2nlu s VAL 38 CO 0.00 -0.17 1.64 1.17 -3.33 0.00 0.00 175.10 174.41 2nlu n LYS 39 N -0.15 3.27 -3.05 1.54 4.81 -1.26 -2.72 118.16 120.61 2nlu n LYS 39 Ca -0.10 -3.50 -0.42 0.00 -0.87 0.00 0.00 58.31 53.42 2nlu n LYS 39 Cb 0.56 -3.28 -0.06 0.00 0.02 0.00 0.00 35.03 32.27 2nlu n LYS 39 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2nlu s SER 40 N 3.49 6.51 -0.24 3.14 1.04 -1.26 -4.83 113.70 121.56 2nlu s SER 40 Ca 0.49 0.35 -0.13 0.00 0.48 0.00 0.00 55.95 57.14 2nlu s SER 40 Cb 0.02 -2.36 0.07 0.00 0.10 0.00 0.00 66.02 63.85 2nlu s SER 40 CO 0.04 -0.60 0.58 -0.89 0.98 0.00 0.00 173.24 173.34 2nlu s THR 41 N 2.82 -0.05 0.00 2.02 2.01 -1.26 -4.88 115.64 116.30 2nlu s THR 41 Ca 0.28 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.32 2nlu s THR 41 Cb -0.14 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.52 2nlu s THR 41 CO 0.14 0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.09 2nlu n ALA 42 N 4.35 0.52 -2.65 7.40 0.00 -1.26 -5.02 120.51 123.85 2nlu n ALA 42 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 2nlu n ALA 42 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 2nlu n ALA 42 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2nlu s ASN 43 N 1.64 6.38 -0.05 0.00 0.02 -1.26 -4.96 114.94 116.71 2nlu s ASN 43 Ca 0.00 -1.20 -0.01 0.00 -1.02 0.00 0.00 52.86 50.63 2nlu s ASN 43 Cb 0.00 -2.52 0.03 0.00 0.02 0.00 0.00 41.25 38.78 2nlu s ASN 43 CO 0.00 -1.53 0.02 -0.75 0.02 0.00 0.00 177.10 174.87 2nlu s LYS 44 N 4.72 0.24 0.07 -0.60 2.20 -1.26 -4.31 119.74 120.79 2nlu s LYS 44 Ca 0.38 0.21 0.10 0.00 -0.36 0.00 0.00 55.97 56.29 2nlu s LYS 44 Cb -0.05 -0.64 -0.03 0.00 -1.51 0.00 0.00 37.83 35.60 2nlu s LYS 44 CO -0.00 -0.26 -0.26 0.71 -0.36 0.00 0.00 175.35 175.17 2nlu s TYR 45 N 1.76 2.33 -0.59 4.03 2.02 -0.26 -4.97 117.35 121.67 2nlu s TYR 45 Ca 0.01 -0.40 -0.27 0.00 -0.37 0.00 0.00 57.07 56.04 2nlu s TYR 45 Cb -0.13 -1.35 0.03 0.00 -0.40 0.00 0.00 41.96 40.12 2nlu s TYR 45 CO -0.03 0.20 1.13 -1.14 -1.57 0.00 0.00 175.55 174.14 2nlu s GLN 46 N -1.52 3.42 -0.51 -0.62 0.74 -1.26 -2.07 119.66 117.83 2nlu s GLN 46 Ca 0.13 0.04 -0.17 0.00 0.05 0.00 0.00 55.36 55.40 2nlu s GLN 46 Cb -0.10 -4.05 0.08 0.00 1.10 0.00 0.00 33.01 30.04 2nlu s GLN 46 CO 0.04 -1.69 0.53 0.08 -0.55 0.00 0.00 175.29 173.69 2nlu s VAL 47 N 4.76 5.06 -0.70 1.34 1.01 0.62 -4.96 120.40 127.53 2nlu s VAL 47 Ca 0.38 -0.91 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 2nlu s VAL 47 Cb -0.09 -4.26 0.09 0.00 0.00 0.00 0.00 36.38 32.12 2nlu s VAL 47 CO 0.22 -0.76 0.95 0.12 0.00 0.00 0.00 175.10 175.63 2nlu s PHE 48 N 2.11 2.81 -0.11 5.22 5.36 -1.26 -0.34 117.98 131.76 2nlu s PHE 48 Ca 0.09 -0.78 -0.29 0.00 -0.96 0.00 0.00 56.93 54.99 2nlu s PHE 48 Cb -0.23 -4.24 -0.07 0.00 -0.34 0.00 0.00 43.02 38.13 2nlu s PHE 48 CO 0.08 -1.56 2.11 1.19 -1.46 0.00 0.00 175.22 175.58 2nlu n PHE 49 N 7.26 2.20 0.14 10.12 3.01 0.61 -4.84 117.46 135.95 2nlu n PHE 49 Ca 0.00 -0.22 0.02 0.00 1.01 0.00 0.00 57.45 58.26 2nlu n PHE 49 Cb 0.46 -2.76 0.03 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 13.04 0.00 0.00 1.38 3.57 -1.93 0.38 116.94 133.38 2nlu h PHE 50 Ca -0.45 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 60.97 2nlu h PHE 50 Cb 1.24 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 2nlu h PHE 50 CO 0.95 0.51 -0.39 0.78 -2.23 0.00 0.00 178.31 177.92 2nlu h GLY 51 N 3.47 0.00 0.00 2.40 0.00 -1.89 -3.28 103.07 103.77 2nlu h GLY 51 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2nlu h GLY 51 CO 0.07 0.00 -0.79 -1.30 0.00 0.00 0.00 176.54 174.52 2nlu n THR 52 N -3.19 0.00 -3.02 4.70 -2.24 -1.22 -3.64 114.28 105.67 2nlu n THR 52 Ca 0.02 -0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 61.35 2nlu n THR 52 Cb 0.69 0.74 0.04 0.00 -2.10 0.00 0.00 70.33 69.70 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 -1.43 -1.83 -4.56 4.78 -0.00 0.13 -5.01 115.22 107.28 2nlu n HIS 53 Ca 0.00 0.54 -0.27 0.00 0.46 0.00 0.00 57.72 58.46 2nlu n HIS 53 Cb 0.18 -4.03 -0.14 0.00 -0.12 0.00 0.00 29.99 25.88 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 -5.65 1.42 -0.28 1.57 2.02 -0.84 -4.95 118.70 111.98 2nlu s GLU 54 Ca 0.31 -1.12 -0.13 0.00 0.02 0.00 0.00 54.97 54.05 2nlu s GLU 54 Cb -0.14 -1.67 -0.04 0.00 0.10 0.00 0.00 34.13 32.38 2nlu s GLU 54 CO 0.39 0.41 0.29 0.99 0.02 0.00 0.00 175.26 177.36 2nlu s THR 55 N -0.94 5.23 0.48 3.63 2.01 -1.26 -0.29 115.64 124.50 2nlu s THR 55 Ca 0.10 0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.43 2nlu s THR 55 Cb -0.10 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 2nlu s THR 55 CO 0.03 0.16 0.06 0.00 -0.69 0.00 0.00 174.62 174.19 2nlu n ALA 56 N 5.22 0.50 -3.21 7.40 0.00 0.54 -4.98 120.51 125.96 2nlu n ALA 56 Ca -0.11 -2.24 -0.22 0.00 0.00 0.00 0.00 53.44 50.87 2nlu n ALA 56 Cb 0.51 1.33 -0.16 0.00 0.00 0.00 0.00 19.45 21.14 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 -2.97 1.15 0.18 0.00 -0.71 -1.26 -0.28 117.98 114.09 2nlu s PHE 57 Ca 0.09 -0.34 -0.03 0.00 -1.04 0.00 0.00 56.93 55.60 2nlu s PHE 57 Cb 0.00 -0.84 -0.03 0.00 -1.21 0.00 0.00 43.02 40.94 2nlu s PHE 57 CO 0.06 -0.17 0.16 -0.51 -1.34 0.00 0.00 175.22 173.43 2nlu s LEU 58 N 0.40 1.25 0.48 -1.99 1.43 -0.88 -4.91 118.68 114.45 2nlu s LEU 58 Ca -0.08 -1.21 -0.00 0.00 -1.03 0.00 0.00 54.13 51.81 2nlu s LEU 58 Cb -0.12 0.60 0.00 0.00 0.03 0.00 0.00 46.19 46.71 2nlu s LEU 58 CO 0.02 -0.84 0.71 -0.83 0.23 0.00 0.00 176.35 175.63 2nlu s GLY 59 N -3.08 1.60 0.27 -3.19 0.00 -1.26 -1.10 107.32 100.56 2nlu s GLY 59 Ca 0.29 -1.06 -0.03 0.00 0.00 0.00 0.00 44.72 43.93 2nlu s GLY 59 CO 0.07 -0.86 1.90 -2.55 0.00 0.00 0.00 173.10 171.65 2nlu h PRO 60 N 0.30 1.17 0.00 2.90 0.11 -1.91 -1.47 132.00 133.09 2nlu h PRO 60 Ca -0.46 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2nlu h PRO 60 Cb 1.26 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2nlu h PRO 60 CO 0.57 0.77 0.00 0.36 -0.21 0.00 0.00 178.00 179.49 2nlu n LYS 61 N -4.47 0.10 -0.15 1.05 2.85 -1.26 -1.88 118.16 114.39 2nlu n LYS 61 Ca 0.14 0.31 0.09 0.00 -1.05 0.00 0.00 58.31 57.80 2nlu n LYS 61 Cb 0.15 -1.68 0.17 0.00 -0.65 0.00 0.00 35.03 33.01 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 -1.87 3.01 -4.13 -5.58 9.92 -0.57 -4.82 116.55 112.51 2nlu n ASP 62 Ca 0.03 -1.88 -0.33 0.00 -0.53 0.00 0.00 54.79 52.08 2nlu n ASP 62 Cb 0.22 -0.20 -0.15 0.00 -0.64 0.00 0.00 41.12 40.35 2nlu n ASP 62 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2nlu s LEU 63 N -1.20 2.67 -0.25 0.64 2.96 -0.79 -4.91 118.68 117.80 2nlu s LEU 63 Ca 0.29 -0.87 -0.07 0.00 -0.22 0.00 0.00 54.13 53.26 2nlu s LEU 63 Cb 0.17 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 2nlu s LEU 63 CO 0.23 -0.07 0.05 -0.36 -1.32 0.00 0.00 176.35 174.89 2nlu s PHE 64 N 1.25 3.07 0.13 5.38 0.08 -1.26 -4.93 117.98 121.70 2nlu s PHE 64 Ca 0.01 -0.61 -0.35 0.00 0.12 0.00 0.00 56.93 56.10 2nlu s PHE 64 Cb -0.15 -2.22 -0.15 0.00 -0.57 0.00 0.00 43.02 39.93 2nlu s PHE 64 CO -0.09 -0.43 1.51 -2.30 -0.10 0.00 0.00 175.22 173.80 2nlu n PRO 65 N 4.89 1.82 0.21 0.24 -0.02 -1.26 -4.88 135.00 136.00 2nlu n PRO 65 Ca -0.16 0.66 0.10 0.00 -2.02 0.00 0.00 63.50 62.08 2nlu n PRO 65 Cb 0.51 -2.38 0.29 0.00 -0.02 0.00 0.00 33.50 31.89 2nlu n PRO 65 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2nlu h TYR 66 N 5.53 0.00 0.00 6.00 -0.00 -1.97 -1.98 116.97 124.56 2nlu h TYR 66 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.27 2nlu h TYR 66 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.01 2nlu h TYR 66 CO 0.62 0.16 0.00 0.39 -0.00 0.00 0.00 178.16 179.33 2nlu n GLU 67 N -3.19 0.06 -0.01 0.10 -0.58 -1.26 0.43 120.64 116.19 2nlu n GLU 67 Ca 0.02 0.36 0.04 0.00 -0.42 0.00 0.00 57.16 57.16 2nlu n GLU 67 Cb 0.52 -1.63 0.04 0.00 -0.57 0.00 0.00 31.44 29.80 2nlu n GLU 67 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2nlu n GLU 68 N -1.75 0.43 0.00 3.49 -0.58 -0.76 -4.84 120.64 116.63 2nlu n GLU 68 Ca 0.02 -1.08 0.00 0.00 -0.42 0.00 0.00 57.16 55.68 2nlu n GLU 68 Cb 0.15 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 2nlu n GLU 68 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2nlu n SER 69 N 0.42 0.00 0.17 1.62 3.41 -0.63 -4.89 113.62 113.73 2nlu n SER 69 Ca 0.05 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.78 2nlu n SER 69 Cb 0.22 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 64.78 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 0.00 -0.32 4.33 2.10 -0.27 0.41 116.57 122.82 2nlu h LYS 70 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 2nlu h LYS 70 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 2nlu h LYS 70 CO 0.00 0.00 -0.04 1.05 -2.00 0.00 0.00 179.45 178.46 2nlu h GLU 71 N 0.00 0.51 0.00 0.07 4.11 -1.91 0.19 114.58 117.55 2nlu h GLU 71 Ca 0.00 -0.12 -0.32 0.00 0.07 0.00 0.00 59.36 58.99 2nlu h GLU 71 Cb 0.11 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 2nlu h GLU 71 CO 0.00 0.57 -2.31 1.63 0.07 0.00 0.00 179.01 178.97 2nlu n LYS 72 N -4.25 0.68 0.00 1.06 5.02 0.12 -4.26 118.16 116.52 2nlu n LYS 72 Ca 0.01 -0.02 0.12 0.00 -2.02 0.00 0.00 58.31 56.40 2nlu n LYS 72 Cb 0.27 -1.53 0.24 0.00 -0.02 0.00 0.00 35.03 33.99 2nlu n LYS 72 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2nlu n PHE 73 N -2.70 0.00 -2.23 2.13 3.01 0.38 -4.77 117.46 113.28 2nlu n PHE 73 Ca -0.29 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.82 2nlu n PHE 73 Cb 1.08 -0.20 -0.04 0.00 -0.01 0.00 0.00 39.48 40.32 2nlu n PHE 73 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2nlu s GLY 74 N -2.88 0.50 -0.32 1.37 0.00 0.66 -4.85 107.32 101.80 2nlu s GLY 74 Ca 0.14 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.54 2nlu s GLY 74 CO 0.67 3.17 0.38 -1.59 0.00 0.00 0.00 173.10 175.74 2nlu s LYS 75 N 6.43 0.49 -0.52 2.90 -2.85 -1.26 -4.99 119.74 119.93 2nlu s LYS 75 Ca 0.58 -0.29 -0.26 0.00 -1.00 0.00 0.00 55.97 55.00 2nlu s LYS 75 Cb -0.08 -0.51 -0.05 0.00 -2.06 0.00 0.00 37.83 35.14 2nlu s LYS 75 CO 0.07 -1.10 2.16 -2.14 0.10 0.00 0.00 175.35 174.44 2nlu s PRO 76 N 2.09 2.40 0.08 1.78 0.02 -1.26 -4.88 135.00 135.23 2nlu s PRO 76 Ca 0.12 1.11 -0.19 0.00 0.02 0.00 0.00 61.00 62.06 2nlu s PRO 76 Cb -0.13 -4.48 0.04 0.00 0.02 0.00 0.00 34.50 29.95 2nlu s PRO 76 CO -0.21 -2.96 0.45 1.21 -0.33 0.00 0.00 177.00 175.16 2nlu s ASN 77 N 10.15 -0.33 0.00 2.53 2.47 -1.26 -4.90 114.94 123.60 2nlu s ASN 77 Ca 0.85 -0.05 0.00 0.00 0.42 0.00 0.00 52.86 54.07 2nlu s ASN 77 Cb -0.16 0.47 0.00 0.00 -1.45 0.00 0.00 41.25 40.11 2nlu s ASN 77 CO 0.24 -0.75 0.00 0.29 -3.72 0.00 0.00 177.10 173.16 2nlu n LYS 78 N 0.20 0.00 0.00 0.43 4.76 -1.26 -4.20 118.16 118.09 2nlu n LYS 78 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 2nlu n LYS 78 Cb 0.61 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 2nlu n LYS 78 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2nlu n ARG 79 N -1.01 0.00 0.00 1.97 1.74 -1.26 -4.88 116.66 113.23 2nlu n ARG 79 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2nlu n ARG 79 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2nlu n ARG 79 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2nlu n LYS 80 N 14.00 0.00 0.00 5.56 4.81 -1.26 -1.22 118.16 140.05 2nlu n LYS 80 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 2nlu n LYS 80 Cb 0.00 0.00 0.47 0.00 0.02 0.00 0.00 35.03 35.52 2nlu n LYS 80 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nlu n GLY 81 N 0.00 -0.81 0.06 3.14 0.00 -1.24 -1.99 105.19 104.36 2nlu n GLY 81 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 2nlu n GLY 81 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2nlu h PHE 82 N 0.00 0.00 0.20 1.61 3.57 -1.40 -2.48 116.94 118.44 2nlu h PHE 82 Ca 0.00 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.18 2nlu h PHE 82 Cb 0.00 0.00 0.04 0.00 2.79 0.00 0.00 35.95 38.78 2nlu h PHE 82 CO 0.00 0.00 -1.37 1.03 -2.23 0.00 0.00 178.31 175.74 2nlu h SER 83 N -0.98 0.85 0.64 0.41 0.87 -1.47 -1.94 113.55 111.93 2nlu h SER 83 Ca 0.00 -0.89 -0.16 0.00 -1.23 0.00 0.00 61.79 59.51 2nlu h SER 83 Cb 0.23 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2nlu h SER 83 CO 0.00 1.67 -0.74 -0.08 -0.53 0.00 0.00 176.83 177.15 2nlu h GLU 84 N 0.17 0.08 -0.08 2.24 4.81 -1.58 -2.24 114.58 117.97 2nlu h GLU 84 Ca -0.23 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 2nlu h GLU 84 Cb 2.05 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 31.45 2nlu h GLU 84 CO 0.26 0.78 -0.06 0.78 -0.73 0.00 0.00 179.01 180.03 2nlu h GLY 85 N 1.99 0.21 1.67 1.92 0.00 -1.47 -1.94 103.07 105.45 2nlu h GLY 85 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2nlu h GLY 85 CO 0.10 0.18 0.21 1.41 0.00 0.00 0.00 176.54 178.45 2nlu h LEU 86 N -0.21 0.39 -0.12 3.11 3.38 -1.31 -2.10 115.31 118.44 2nlu h LEU 86 Ca 0.02 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2nlu h LEU 86 Cb 0.55 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2nlu h LEU 86 CO 0.02 0.29 -0.30 -0.25 0.09 0.00 0.00 178.44 178.29 2nlu h TRP 87 N 0.46 0.53 0.00 1.13 2.91 -1.31 -2.14 115.95 117.53 2nlu h TRP 87 Ca 0.12 -0.20 -0.05 0.00 1.13 0.00 0.00 58.89 59.89 2nlu h TRP 87 Cb -0.04 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.51 2nlu h TRP 87 CO 0.00 0.91 -0.25 0.93 -1.03 0.00 0.00 178.44 179.00 2nlu h GLU 88 N -0.00 0.00 0.09 2.65 5.08 -0.88 0.19 114.58 121.71 2nlu h GLU 88 Ca -0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2nlu h GLU 88 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2nlu h GLU 88 CO 0.06 0.25 -0.82 0.97 -1.00 0.00 0.00 179.01 178.47 2nlu h ILE 89 N 0.00 1.40 0.00 3.13 -0.00 -1.40 -3.09 117.51 117.55 2nlu h ILE 89 Ca -0.00 -2.42 -0.11 0.00 -0.00 0.00 0.00 64.86 62.33 2nlu h ILE 89 Cb 0.61 3.03 -0.02 0.00 -0.00 0.00 0.00 36.82 40.44 2nlu h ILE 89 CO 0.03 0.65 -0.58 -0.08 -0.00 0.00 0.00 178.15 178.17 2nlu h GLU 90 N -0.56 0.00 -0.06 2.19 4.81 -1.30 -3.32 114.58 116.34 2nlu h GLU 90 Ca -0.17 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.99 2nlu h GLU 90 Cb 1.49 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.79 2nlu h GLU 90 CO 0.06 0.46 -0.59 0.09 -0.73 0.00 0.00 179.01 178.30 2nlu n ASN 91 N -3.18 1.89 -4.67 1.04 3.02 0.66 -5.04 115.26 108.99 2nlu n ASN 91 Ca 0.01 -3.68 -0.42 0.00 -0.03 0.00 0.00 54.58 50.46 2nlu n ASN 91 Cb 0.74 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 2nlu n ASN 91 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2nlu s ASN 92 N -3.14 6.53 -0.33 6.41 2.47 -1.17 -4.85 114.94 120.85 2nlu s ASN 92 Ca 0.38 2.53 -0.29 0.00 0.42 0.00 0.00 52.86 55.91 2nlu s ASN 92 Cb 0.37 -2.54 -0.01 0.00 -1.45 0.00 0.00 41.25 37.62 2nlu s ASN 92 CO -0.07 -0.99 1.69 -2.84 -3.72 0.00 0.00 177.10 171.17 2nlu s PRO 93 N 3.96 3.44 -0.12 0.43 0.02 -1.26 -4.11 135.00 137.35 2nlu s PRO 93 Ca 0.82 1.35 -0.01 0.00 0.02 0.00 0.00 61.00 63.17 2nlu s PRO 93 Cb -0.40 -4.14 0.00 0.00 0.02 0.00 0.00 34.50 29.98 2nlu s PRO 93 CO 0.36 -1.73 0.02 2.41 -0.33 0.00 0.00 177.00 177.74 2nlu n THR 94 N 7.25 -6.45 -2.26 0.99 -1.04 -1.26 -5.01 114.28 106.50 2nlu n THR 94 Ca 0.21 0.86 -0.34 0.00 -2.04 0.00 0.00 64.05 62.74 2nlu n THR 94 Cb 0.47 -5.17 -0.00 0.00 -1.82 0.00 0.00 70.33 63.80 2nlu n THR 94 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2nlu s VAL 95 N -0.62 3.51 -0.40 12.58 -7.23 -1.26 -5.02 120.40 121.96 2nlu s VAL 95 Ca -0.02 0.87 -0.04 0.00 -1.81 0.00 0.00 61.98 60.97 2nlu s VAL 95 Cb 0.00 -3.34 0.09 0.00 0.56 0.00 0.00 36.38 33.70 2nlu s VAL 95 CO 0.33 -0.27 0.19 -0.54 -0.31 0.00 0.00 175.10 174.50 2nlu s LYS 96 N -3.50 2.21 0.00 4.82 -0.14 -1.26 -4.94 119.74 116.93 2nlu s LYS 96 Ca 0.69 -1.66 0.00 0.00 -1.36 0.00 0.00 55.97 53.64 2nlu s LYS 96 Cb -0.19 -3.57 0.00 0.00 -1.68 0.00 0.00 37.83 32.38 2nlu s LYS 96 CO 0.28 -0.98 0.00 0.00 -0.76 0.00 0.00 175.35 173.89 2nlu n ALA 97 N 4.68 0.00 0.00 5.17 0.00 -1.26 -4.93 120.51 124.17 2nlu n ALA 97 Ca -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2nlu n ALA 97 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2nlu n ALA 97 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2nlu n SER 98 N -2.20 0.00 0.00 0.00 7.64 -1.26 -3.43 113.62 114.37 2nlu n SER 98 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2nlu n SER 98 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.91 3.70 0.23 0.00 -1.26 -5.36 105.19 103.41 2nlu n GLY 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2nlu n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60