#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 6.03 -0.10 6.12 1.04 -1.26 -5.11 113.70 120.42 2nlu s SER 2 Ca 0.00 0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.59 2nlu s SER 2 Cb 0.00 -1.79 -0.03 0.00 0.10 0.00 0.00 66.02 64.30 2nlu s SER 2 CO 0.00 0.20 0.00 -0.60 0.98 0.00 0.00 173.24 173.82 2nlu s ARG 3 N -2.26 3.16 0.69 4.02 3.52 -1.26 -5.11 118.95 121.71 2nlu s ARG 3 Ca 0.30 -0.41 -0.03 0.00 -0.13 0.00 0.00 55.73 55.45 2nlu s ARG 3 Cb -0.13 -2.85 0.09 0.00 -1.56 0.00 0.00 34.95 30.51 2nlu s ARG 3 CO 0.23 0.61 0.97 -1.12 -0.81 0.00 0.00 175.30 175.18 2nlu s SER 4 N -0.62 4.63 -0.17 -2.12 0.01 -1.26 -5.10 113.70 109.07 2nlu s SER 4 Ca 0.10 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.41 2nlu s SER 4 Cb -0.12 -0.61 0.01 0.00 0.21 0.00 0.00 66.02 65.51 2nlu s SER 4 CO 0.02 -1.67 -0.17 0.21 0.41 0.00 0.00 173.24 172.05 2nlu s ASN 5 N -4.60 3.47 -0.00 2.44 2.47 -1.26 -4.99 114.94 112.46 2nlu s ASN 5 Ca 0.63 -0.54 0.22 0.00 0.42 0.00 0.00 52.86 53.58 2nlu s ASN 5 Cb -0.08 -1.54 -0.26 0.00 -1.45 0.00 0.00 41.25 37.92 2nlu s ASN 5 CO 0.44 0.04 0.66 -1.14 -3.72 0.00 0.00 177.10 173.38 2nlu n ARG 6 N 4.33 0.46 -2.50 0.43 3.00 -1.26 -4.86 116.66 116.26 2nlu n ARG 6 Ca -0.20 -0.12 -0.43 0.00 -0.00 0.00 0.00 57.85 57.11 2nlu n ARG 6 Cb 0.51 -1.54 -0.02 0.00 0.00 0.00 0.00 32.46 31.41 2nlu n ARG 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2nlu s GLN 7 N -3.35 3.72 -0.02 -0.14 0.74 -1.26 -4.83 119.66 114.52 2nlu s GLN 7 Ca -0.03 0.80 0.19 0.00 0.05 0.00 0.00 55.36 56.38 2nlu s GLN 7 Cb 0.14 -3.93 -0.27 0.00 1.10 0.00 0.00 33.01 30.05 2nlu s GLN 7 CO 0.88 -1.38 0.50 0.36 -0.55 0.00 0.00 175.29 175.10 2nlu n LYS 8 N 7.79 0.67 -4.41 1.67 2.85 -1.26 -4.96 118.16 120.52 2nlu n LYS 8 Ca 0.14 -0.13 -0.34 0.00 -1.05 0.00 0.00 58.31 56.93 2nlu n LYS 8 Cb 0.48 -1.42 -0.11 0.00 -0.65 0.00 0.00 35.03 33.33 2nlu n LYS 8 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2nlu s GLU 9 N -3.16 3.35 0.40 -1.58 1.03 -1.26 -5.10 118.70 112.38 2nlu s GLU 9 Ca -0.04 -0.48 -0.22 0.00 0.03 0.00 0.00 54.97 54.26 2nlu s GLU 9 Cb 0.12 -2.85 -0.11 0.00 -0.80 0.00 0.00 34.13 30.50 2nlu s GLU 9 CO 0.77 0.44 0.94 0.71 -1.33 0.00 0.00 175.26 176.79 2nlu s TYR 10 N -0.18 3.40 -0.18 4.83 2.02 -1.26 -4.98 117.35 121.00 2nlu s TYR 10 Ca 0.04 1.64 -0.29 0.00 -0.37 0.00 0.00 57.07 58.09 2nlu s TYR 10 Cb -0.13 -2.86 -0.04 0.00 -0.40 0.00 0.00 41.96 38.54 2nlu s TYR 10 CO 0.02 -0.03 1.75 0.15 -1.57 0.00 0.00 175.55 175.88 2nlu s LYS 11 N -2.90 3.77 0.00 -0.62 1.02 -1.26 -3.00 119.74 116.75 2nlu s LYS 11 Ca 0.59 1.87 0.00 0.00 0.02 0.00 0.00 55.97 58.45 2nlu s LYS 11 Cb -0.11 -4.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.10 2nlu s LYS 11 CO 0.16 -1.34 0.00 0.00 -0.92 0.00 0.00 175.35 173.25 2nlu n GLY 13 N 0.00 0.08 7.00 0.00 0.00 -1.16 -4.90 105.19 106.21 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 0.00 -4.37 1.61 8.00 -0.82 -4.65 116.55 116.32 2nlu n ASP 14 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 2nlu n ASP 14 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 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 2.75 0.00 0.64 1.98 -1.26 -1.60 118.68 121.19 2nlu s LEU 15 Ca 0.00 -0.32 -0.04 0.00 -2.89 0.00 0.00 54.13 50.88 2nlu s LEU 15 Cb 0.00 -1.63 0.02 0.00 0.66 0.00 0.00 46.19 45.24 2nlu s LEU 15 CO 0.00 0.15 0.29 1.33 -1.89 0.00 0.00 176.35 176.23 2nlu n VAL 16 N 3.63 0.00 -3.20 1.68 0.24 -1.03 -5.05 118.33 114.60 2nlu n VAL 16 Ca -0.18 -0.63 -0.42 0.00 -2.04 0.00 0.00 64.34 61.07 2nlu n VAL 16 Cb 0.53 0.48 -0.07 0.00 -1.47 0.00 0.00 33.84 33.30 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 -4.99 3.15 -0.00 6.34 0.40 -1.26 -1.80 117.98 119.82 2nlu s PHE 17 Ca 0.10 0.11 -0.14 0.00 -0.60 0.00 0.00 56.93 56.40 2nlu s PHE 17 Cb -0.01 -3.04 -0.06 0.00 0.51 0.00 0.00 43.02 40.42 2nlu s PHE 17 CO 0.07 -0.63 0.39 0.00 0.70 0.00 0.00 175.22 175.76 2nlu s ALA 18 N 2.51 3.71 -0.44 5.36 0.00 0.03 -4.73 121.76 128.20 2nlu s ALA 18 Ca 0.20 -0.24 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 2nlu s ALA 18 Cb -0.15 -2.36 0.09 0.00 0.00 0.00 0.00 23.12 20.69 2nlu s ALA 18 CO 0.15 0.49 0.30 0.21 0.00 0.00 0.00 175.76 176.91 2nlu s LYS 19 N -1.10 2.64 0.46 0.00 2.20 -1.26 -0.64 119.74 122.03 2nlu s LYS 19 Ca 0.24 -1.51 0.07 0.00 -0.36 0.00 0.00 55.97 54.41 2nlu s LYS 19 Cb -0.16 -3.86 -0.01 0.00 -1.51 0.00 0.00 37.83 32.28 2nlu s LYS 19 CO 0.13 -1.01 0.31 1.41 -0.36 0.00 0.00 175.35 175.82 2nlu s MET 20 N 1.44 2.33 -0.12 4.03 1.75 -0.80 -4.98 119.30 122.95 2nlu s MET 20 Ca 0.04 -1.83 -0.29 0.00 -1.25 0.00 0.00 55.69 52.36 2nlu s MET 20 Cb -0.24 -2.12 -0.05 0.00 2.84 0.00 0.00 34.83 35.26 2nlu s MET 20 CO 0.02 -0.31 1.78 0.15 -0.65 0.00 0.00 175.02 176.01 2nlu s LYS 21 N -4.10 3.88 0.00 4.11 -0.14 -1.26 -1.30 119.74 120.94 2nlu s LYS 21 Ca 0.40 2.05 0.00 0.00 -1.36 0.00 0.00 55.97 57.06 2nlu s LYS 21 Cb -0.00 -4.10 0.00 0.00 -1.68 0.00 0.00 37.83 32.05 2nlu s LYS 21 CO 0.23 -1.22 0.00 0.41 -0.76 0.00 0.00 175.35 174.01 2nlu n GLY 22 N 4.64 0.92 2.84 -3.33 0.00 -1.26 -4.99 105.19 104.00 2nlu n GLY 22 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.32 2.57 -1.05 1.61 2.02 -0.42 -5.06 117.35 113.70 2nlu s TYR 23 Ca 0.00 -2.51 -0.22 0.00 -0.37 0.00 0.00 57.07 53.97 2nlu s TYR 23 Cb 0.00 -2.27 0.06 0.00 -0.40 0.00 0.00 41.96 39.36 2nlu s TYR 23 CO 0.00 -0.85 1.45 -1.25 -1.57 0.00 0.00 175.55 173.34 2nlu s PRO 24 N 0.75 3.65 -0.22 -1.71 0.04 -1.26 -1.91 135.00 134.34 2nlu s PRO 24 Ca 0.14 -1.33 -0.07 0.00 0.04 0.00 0.00 61.00 59.77 2nlu s PRO 24 Cb -0.21 -5.33 0.01 0.00 0.04 0.00 0.00 34.50 29.01 2nlu s PRO 24 CO -0.09 -2.16 0.27 0.72 0.04 0.00 0.00 177.00 175.78 2nlu n HIS 25 N 8.52 -1.88 -5.13 0.56 8.25 -1.21 -5.04 115.22 119.29 2nlu n HIS 25 Ca 0.34 0.77 -0.31 0.00 -0.26 0.00 0.00 57.72 58.26 2nlu n HIS 25 Cb 0.50 -2.86 -0.17 0.00 1.12 0.00 0.00 29.99 28.58 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 -1.72 2.35 -0.26 4.41 -0.11 0.18 -4.85 118.94 118.95 2nlu s TRP 26 Ca 0.11 -0.90 -0.35 0.00 1.22 0.00 0.00 56.10 56.19 2nlu s TRP 26 Cb -0.03 -1.58 -0.11 0.00 -1.50 0.00 0.00 33.47 30.25 2nlu s TRP 26 CO 0.41 -0.35 2.07 -0.35 -4.62 0.00 0.00 176.95 174.10 2nlu n PRO 27 N 3.44 1.47 -3.80 5.86 -0.04 -1.26 -0.79 135.00 139.88 2nlu n PRO 27 Ca -0.19 0.46 -0.12 0.00 -0.04 0.00 0.00 63.50 63.61 2nlu n PRO 27 Cb 0.53 -2.57 -0.09 0.00 -0.04 0.00 0.00 33.50 31.33 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 6.27 -0.56 0.15 0.55 0.00 -0.74 -4.90 121.76 122.53 2nlu s ALA 28 Ca 1.03 -0.00 0.09 0.00 0.00 0.00 0.00 51.96 53.08 2nlu s ALA 28 Cb -0.77 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2nlu s ALA 28 CO 0.50 -0.31 -0.13 0.50 0.00 0.00 0.00 175.76 176.31 2nlu s ARG 29 N -1.94 1.94 0.48 0.00 3.52 -1.26 -2.46 118.95 119.23 2nlu s ARG 29 Ca -0.10 -1.24 -0.14 0.00 -0.13 0.00 0.00 55.73 54.13 2nlu s ARG 29 Cb -0.04 -2.13 -0.07 0.00 -1.56 0.00 0.00 34.95 31.15 2nlu s ARG 29 CO -0.00 0.45 0.91 -1.50 -0.81 0.00 0.00 175.30 174.35 2nlu s ILE 30 N -1.49 4.63 -0.07 4.11 -1.16 -0.63 -5.03 121.20 121.57 2nlu s ILE 30 Ca 0.22 0.98 -0.06 0.00 -0.51 0.00 0.00 60.65 61.28 2nlu s ILE 30 Cb -0.09 -3.73 0.02 0.00 0.61 0.00 0.00 42.46 39.26 2nlu s ILE 30 CO 0.13 -0.66 0.19 -0.62 -2.81 0.00 0.00 174.94 171.17 2nlu s ASP 31 N -3.18 -0.19 0.11 4.50 2.15 -1.26 -4.86 116.67 113.94 2nlu s ASP 31 Ca 0.56 0.38 0.00 0.00 0.43 0.00 0.00 52.55 53.92 2nlu s ASP 31 Cb -0.10 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 42.89 2nlu s ASP 31 CO 0.33 -0.08 0.00 -0.62 -0.17 0.00 0.00 175.17 174.63 2nlu n GLU 32 N 3.21 -0.78 -3.09 4.34 -0.58 -1.26 -5.00 120.64 117.47 2nlu n GLU 32 Ca -0.15 0.57 0.03 0.00 -0.42 0.00 0.00 57.16 57.19 2nlu n GLU 32 Cb 0.58 -0.94 -0.00 0.00 -0.57 0.00 0.00 31.44 30.50 2nlu n GLU 32 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 2nlu s MET 33 N -2.07 0.47 -0.99 3.49 -2.45 -1.26 -4.81 119.30 111.68 2nlu s MET 33 Ca 0.00 0.09 -0.24 0.00 -1.25 0.00 0.00 55.69 54.29 2nlu s MET 33 Cb 0.00 0.12 -0.06 0.00 1.25 0.00 0.00 34.83 36.14 2nlu s MET 33 CO 0.00 -0.76 1.94 -2.14 1.05 0.00 0.00 175.02 175.11 2nlu s PRO 34 N 2.37 2.53 0.00 4.11 0.02 -1.26 -4.30 135.00 138.47 2nlu s PRO 34 Ca 0.16 -0.56 0.00 0.00 0.02 0.00 0.00 61.00 60.63 2nlu s PRO 34 Cb -0.04 -5.12 0.00 0.00 0.02 0.00 0.00 34.50 29.37 2nlu s PRO 34 CO -0.17 -3.57 0.00 0.39 -0.33 0.00 0.00 177.00 173.32 2nlu n GLU 35 N 8.68 4.84 -2.38 5.54 -0.58 -1.26 -4.64 120.64 130.84 2nlu n GLU 35 Ca 0.42 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.78 2nlu n GLU 35 Cb 0.47 -0.48 -0.03 0.00 -0.57 0.00 0.00 31.44 30.82 2nlu n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nlu s ALA 36 N -0.16 2.44 0.00 0.62 0.00 -1.26 -4.67 121.76 118.73 2nlu s ALA 36 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.35 2nlu s ALA 36 Cb 0.00 -4.42 0.00 0.00 0.00 0.00 0.00 23.12 18.70 2nlu s ALA 36 CO 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 175.76 171.97 2nlu n ALA 37 N 10.58 0.00 -2.45 0.00 0.00 -1.26 -4.65 120.51 122.73 2nlu n ALA 37 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.30 2nlu n ALA 37 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 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 4.96 -0.24 0.00 0.11 -1.26 -4.98 120.40 118.99 2nlu s VAL 38 Ca 0.00 0.85 -0.09 0.00 -2.93 0.00 0.00 61.98 59.81 2nlu s VAL 38 Cb 0.00 -3.74 -0.11 0.00 -1.53 0.00 0.00 36.38 31.00 2nlu s VAL 38 CO 0.00 0.48 -0.28 0.29 -3.33 0.00 0.00 175.10 172.26 2nlu n LYS 39 N 1.52 0.52 -3.64 1.54 5.02 -1.26 -4.29 118.16 117.57 2nlu n LYS 39 Ca -0.11 0.20 -0.08 0.00 -2.02 0.00 0.00 58.31 56.30 2nlu n LYS 39 Cb 0.52 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 34.09 2nlu n LYS 39 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2nlu s SER 40 N -6.93 -0.44 -0.57 4.39 0.01 -1.26 -4.76 113.70 104.14 2nlu s SER 40 Ca -0.33 0.81 -0.27 0.00 1.31 0.00 0.00 55.95 57.48 2nlu s SER 40 Cb 0.12 0.88 -0.03 0.00 0.21 0.00 0.00 66.02 67.20 2nlu s SER 40 CO 0.44 -0.14 1.93 -0.89 0.41 0.00 0.00 173.24 174.99 2nlu s THR 41 N 0.39 3.32 0.01 1.44 2.01 -1.26 -4.95 115.64 116.60 2nlu s THR 41 Ca 0.02 0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.29 2nlu s THR 41 Cb -0.05 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 2nlu s THR 41 CO -0.08 -0.74 -0.22 0.00 -0.69 0.00 0.00 174.62 172.89 2nlu s ALA 42 N 9.29 1.88 0.00 7.40 0.00 -1.26 -4.72 121.76 134.35 2nlu s ALA 42 Ca 0.73 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2nlu s ALA 42 Cb -0.14 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.54 2nlu s ALA 42 CO 0.23 0.45 0.00 0.27 0.00 0.00 0.00 175.76 176.71 2nlu n ASN 43 N 2.23 -4.16 -4.84 0.00 6.94 -1.26 -4.93 115.26 109.25 2nlu n ASN 43 Ca -0.16 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.03 2nlu n ASN 43 Cb 0.53 -2.92 -0.06 0.00 -2.36 0.00 0.00 39.78 34.97 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 -1.56 3.75 -0.01 -3.83 -0.14 -1.26 -4.89 119.74 111.81 2nlu s LYS 44 Ca 0.00 0.12 -0.15 0.00 -1.36 0.00 0.00 55.97 54.58 2nlu s LYS 44 Cb 0.00 -3.24 -0.06 0.00 -1.68 0.00 0.00 37.83 32.86 2nlu s LYS 44 CO 0.00 0.67 0.41 0.71 -0.76 0.00 0.00 175.35 176.38 2nlu s TYR 45 N -0.84 3.72 -0.81 3.18 2.02 0.18 -4.91 117.35 119.89 2nlu s TYR 45 Ca 0.19 0.98 -0.26 0.00 -0.37 0.00 0.00 57.07 57.61 2nlu s TYR 45 Cb -0.14 -2.30 0.04 0.00 -0.40 0.00 0.00 41.96 39.16 2nlu s TYR 45 CO 0.08 0.62 1.32 -1.14 -1.57 0.00 0.00 175.55 174.86 2nlu s GLN 46 N -0.99 3.29 -0.52 -0.62 0.74 -1.26 -1.83 119.66 118.47 2nlu s GLN 46 Ca 0.24 -0.46 -0.19 0.00 0.05 0.00 0.00 55.36 54.99 2nlu s GLN 46 Cb -0.17 -4.47 0.06 0.00 1.10 0.00 0.00 33.01 29.54 2nlu s GLN 46 CO 0.13 -2.16 0.65 0.08 -0.55 0.00 0.00 175.29 173.44 2nlu s VAL 47 N 5.54 4.84 -0.45 1.34 1.01 0.10 -4.94 120.40 127.83 2nlu s VAL 47 Ca 0.38 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 2nlu s VAL 47 Cb -0.06 -4.34 0.03 0.00 0.00 0.00 0.00 36.38 32.01 2nlu s VAL 47 CO 0.09 -0.86 0.62 0.12 0.00 0.00 0.00 175.10 175.06 2nlu s PHE 48 N 2.72 3.07 -0.06 5.22 5.36 -1.26 -0.32 117.98 132.70 2nlu s PHE 48 Ca 0.15 -0.19 -0.29 0.00 -0.96 0.00 0.00 56.93 55.65 2nlu s PHE 48 Cb -0.19 -3.33 -0.07 0.00 -0.34 0.00 0.00 43.02 39.09 2nlu s PHE 48 CO 0.12 -0.88 2.02 -0.06 -1.46 0.00 0.00 175.22 174.95 2nlu s PHE 49 N 2.71 1.31 0.05 10.12 0.40 0.14 -4.88 117.98 127.84 2nlu s PHE 49 Ca 0.20 -0.07 -0.26 0.00 -0.60 0.00 0.00 56.93 56.20 2nlu s PHE 49 Cb -0.15 -4.12 -0.17 0.00 0.51 0.00 0.00 43.02 39.09 2nlu s PHE 49 CO 0.17 -4.90 1.55 0.35 0.70 0.00 0.00 175.22 173.09 2nlu h PHE 50 N 11.97 -0.31 0.00 0.36 3.57 -1.95 -0.19 116.94 130.40 2nlu h PHE 50 Ca -0.46 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.04 2nlu h PHE 50 Cb 1.23 0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2nlu h PHE 50 CO 0.95 -0.10 -0.00 0.78 -2.23 0.00 0.00 178.31 177.70 2nlu h GLY 51 N -0.46 -0.01 0.66 2.40 0.00 -1.90 -3.25 103.07 100.51 2nlu h GLY 51 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2nlu h GLY 51 CO 0.06 -0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.29 2nlu n THR 52 N -4.67 0.00 -4.22 4.70 -2.24 -1.26 -4.89 114.28 101.71 2nlu n THR 52 Ca -0.07 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 2nlu n THR 52 Cb 0.35 -0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 68.08 2nlu n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nlu n HIS 53 N -0.83 -1.36 -4.92 4.78 1.44 -0.12 -4.95 115.22 109.25 2nlu n HIS 53 Ca 0.13 0.65 -0.27 0.00 -2.01 0.00 0.00 57.72 56.22 2nlu n HIS 53 Cb 0.06 -3.04 -0.16 0.00 0.12 0.00 0.00 29.99 26.97 2nlu n HIS 53 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 2nlu s GLU 54 N -7.16 1.97 -0.13 -1.40 -1.05 -0.97 -4.91 118.70 105.05 2nlu s GLU 54 Ca 0.01 -0.67 -0.24 0.00 -0.15 0.00 0.00 54.97 53.93 2nlu s GLU 54 Cb -0.01 -1.69 -0.03 0.00 -0.44 0.00 0.00 34.13 31.97 2nlu s GLU 54 CO 0.97 0.26 0.74 0.99 0.95 0.00 0.00 175.26 179.17 2nlu s THR 55 N 0.03 4.98 0.18 1.83 2.01 -1.26 0.28 115.64 123.68 2nlu s THR 55 Ca -0.05 1.47 0.05 0.00 0.31 0.00 0.00 61.69 63.47 2nlu s THR 55 Cb -0.12 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 2nlu s THR 55 CO 0.03 0.14 -0.08 0.00 -0.69 0.00 0.00 174.62 174.02 2nlu s ALA 56 N 1.50 1.61 -0.23 7.40 0.00 0.56 -4.97 121.76 127.63 2nlu s ALA 56 Ca 0.36 -1.58 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 2nlu s ALA 56 Cb -0.17 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.12 2nlu s ALA 56 CO 0.15 -0.12 -0.08 -0.06 0.00 0.00 0.00 175.76 175.65 2nlu s PHE 57 N -3.32 2.98 0.35 0.00 0.08 -1.26 0.01 117.98 116.82 2nlu s PHE 57 Ca 0.20 -1.33 0.04 0.00 0.12 0.00 0.00 56.93 55.96 2nlu s PHE 57 Cb 0.03 -2.06 -0.03 0.00 -0.57 0.00 0.00 43.02 40.39 2nlu s PHE 57 CO 0.03 -0.67 0.14 -0.51 -0.10 0.00 0.00 175.22 174.11 2nlu s LEU 58 N 1.38 1.87 0.00 -0.37 1.43 -0.76 -4.91 118.68 117.32 2nlu s LEU 58 Ca 0.03 -1.60 0.03 0.00 -1.03 0.00 0.00 54.13 51.56 2nlu s LEU 58 Cb -0.15 0.03 0.03 0.00 0.03 0.00 0.00 46.19 46.13 2nlu s LEU 58 CO -0.05 -0.89 0.23 0.61 0.23 0.00 0.00 176.35 176.48 2nlu n GLY 59 N -0.73 3.10 0.37 -3.19 0.00 -1.26 -0.65 105.19 102.83 2nlu n GLY 59 Ca -0.02 -2.32 0.01 0.00 0.00 0.00 0.00 46.02 43.69 2nlu n GLY 59 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2nlu h PRO 60 N 0.00 1.19 0.00 1.61 0.11 -1.92 -1.99 132.00 131.00 2nlu h PRO 60 Ca -0.35 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2nlu h PRO 60 Cb 1.18 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2nlu h PRO 60 CO 0.56 0.79 0.00 1.17 -0.21 0.00 0.00 178.00 180.31 2nlu n LYS 61 N -4.45 0.22 0.00 1.05 4.81 -1.26 -2.16 118.16 116.37 2nlu n LYS 61 Ca 0.14 0.26 0.14 0.00 -0.87 0.00 0.00 58.31 57.97 2nlu n LYS 61 Cb 0.11 -1.79 0.52 0.00 0.02 0.00 0.00 35.03 33.89 2nlu n LYS 61 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2nlu n ASP 62 N -2.18 1.42 -4.05 3.14 8.00 -0.75 -4.80 116.55 117.32 2nlu n ASP 62 Ca 0.05 -1.42 -0.30 0.00 0.71 0.00 0.00 54.79 53.82 2nlu n ASP 62 Cb 0.36 0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 41.31 2nlu n ASP 62 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2nlu s LEU 63 N -2.05 1.78 -0.21 0.64 1.43 -0.92 -4.90 118.68 114.45 2nlu s LEU 63 Ca 0.37 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 2nlu s LEU 63 Cb 0.21 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 45.21 2nlu s LEU 63 CO 0.35 -0.03 -0.10 -0.36 0.23 0.00 0.00 176.35 176.44 2nlu s PHE 64 N 1.32 2.91 -0.09 0.29 0.08 -1.26 -4.95 117.98 116.28 2nlu s PHE 64 Ca 0.02 -1.30 -0.29 0.00 0.12 0.00 0.00 56.93 55.47 2nlu s PHE 64 Cb -0.13 -2.03 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 2nlu s PHE 64 CO -0.09 -0.67 1.70 -2.14 -0.10 0.00 0.00 175.22 173.92 2nlu s PRO 65 N 1.38 4.05 0.14 0.24 0.02 -1.26 -4.88 135.00 134.69 2nlu s PRO 65 Ca 0.05 2.11 0.26 0.00 0.02 0.00 0.00 61.00 63.44 2nlu s PRO 65 Cb -0.14 -4.03 0.81 0.00 0.02 0.00 0.00 34.50 31.16 2nlu s PRO 65 CO -0.07 -1.01 1.72 2.48 -0.33 0.00 0.00 177.00 179.79 2nlu n TYR 66 N 7.65 0.65 -0.23 6.54 0.18 -1.26 -1.42 117.16 129.26 2nlu n TYR 66 Ca 0.18 0.19 0.20 0.00 1.88 0.00 0.00 57.90 60.35 2nlu n TYR 66 Cb 0.43 -0.78 0.54 0.00 -0.38 0.00 0.00 39.34 39.15 2nlu n TYR 66 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 2nlu h GLU 67 N 0.00 0.34 0.00 -3.48 4.81 -1.90 0.54 114.58 114.89 2nlu h GLU 67 Ca 0.00 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.05 2nlu h GLU 67 Cb 0.68 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 2nlu h GLU 67 CO 0.00 0.23 -1.58 -0.85 -0.73 0.00 0.00 179.01 176.07 2nlu n GLU 68 N -4.48 0.24 -0.47 1.92 0.28 -1.22 -4.29 120.64 112.61 2nlu n GLU 68 Ca 0.19 0.07 0.05 0.00 -0.16 0.00 0.00 57.16 57.31 2nlu n GLU 68 Cb 0.73 -1.08 0.23 0.00 1.43 0.00 0.00 31.44 32.76 2nlu n GLU 68 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2nlu n SER 69 N -3.07 3.51 -0.32 -1.84 7.64 -0.51 -4.13 113.62 114.92 2nlu n SER 69 Ca -0.19 -2.44 0.23 0.00 1.01 0.00 0.00 58.87 57.48 2nlu n SER 69 Cb 0.67 -0.54 0.52 0.00 -1.01 0.00 0.00 64.21 63.85 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 2.43 0.37 0.00 1.43 2.10 -1.07 0.21 116.57 122.03 2nlu h LYS 70 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2nlu h LYS 70 Cb 1.21 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2nlu h LYS 70 CO 0.23 0.24 0.00 1.05 -2.00 0.00 0.00 179.45 178.97 2nlu h GLU 71 N 0.38 0.00 0.09 0.07 -0.00 -1.84 -1.91 114.58 111.36 2nlu h GLU 71 Ca 0.58 0.00 -0.29 0.00 -0.00 0.00 0.00 59.36 59.65 2nlu h GLU 71 Cb 1.51 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.25 2nlu h GLU 71 CO -0.27 0.00 -1.47 -0.22 -0.00 0.00 0.00 179.01 177.05 2nlu h LYS 72 N 0.00 0.20 0.00 1.06 3.64 -1.25 -3.39 116.57 116.83 2nlu h LYS 72 Ca 0.00 -0.34 -0.18 0.00 -1.27 0.00 0.00 60.65 58.86 2nlu h LYS 72 Cb 0.87 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 2nlu h LYS 72 CO 0.00 1.05 -1.69 1.19 -2.27 0.00 0.00 179.45 177.74 2nlu n PHE 73 N -3.41 0.00 0.00 1.91 3.72 -1.09 -5.03 117.46 113.55 2nlu n PHE 73 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2nlu n PHE 73 Cb 1.03 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 2nlu n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nlu n GLY 74 N 2.49 2.33 2.57 1.37 0.00 -0.72 -3.27 105.19 109.96 2nlu n GLY 74 Ca -0.17 0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 2nlu n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nlu s LYS 75 N 0.00 0.70 0.48 1.61 1.02 -1.26 -5.01 119.74 117.28 2nlu s LYS 75 Ca 0.00 -1.35 0.28 0.00 0.02 0.00 0.00 55.97 54.92 2nlu s LYS 75 Cb 0.00 -1.63 0.83 0.00 -0.52 0.00 0.00 37.83 36.51 2nlu s LYS 75 CO 0.00 -1.14 1.79 -1.00 -0.92 0.00 0.00 175.35 174.08 2nlu h PRO 76 N 7.29 0.00 -6.52 -1.68 0.13 -1.98 -3.44 132.00 125.80 2nlu h PRO 76 Ca -0.02 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.45 2nlu h PRO 76 Cb 0.97 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.84 2nlu h PRO 76 CO 0.37 0.00 -0.87 -0.80 -0.23 0.00 0.00 178.00 176.47 2nlu s ASN 77 N -5.86 2.93 -0.76 1.44 0.02 -1.26 -5.08 114.94 106.36 2nlu s ASN 77 Ca 0.04 -0.57 -0.08 0.00 -1.02 0.00 0.00 52.86 51.24 2nlu s ASN 77 Cb 0.07 -0.26 0.20 0.00 0.02 0.00 0.00 41.25 41.28 2nlu s ASN 77 CO 0.60 0.23 0.65 -0.75 0.02 0.00 0.00 177.10 177.84 2nlu s LYS 78 N -1.22 3.16 0.10 -0.60 2.20 -1.26 -4.54 119.74 117.58 2nlu s LYS 78 Ca 0.10 -2.60 0.05 0.00 -0.36 0.00 0.00 55.97 53.16 2nlu s LYS 78 Cb -0.10 -4.10 -0.03 0.00 -1.51 0.00 0.00 37.83 32.09 2nlu s LYS 78 CO 0.02 -1.24 -0.14 1.03 -0.36 0.00 0.00 175.35 174.66 2nlu s ARG 79 N -0.14 0.93 0.14 4.03 0.52 -1.26 -4.99 118.95 118.18 2nlu s ARG 79 Ca 0.19 -1.12 -0.16 0.00 -0.52 0.00 0.00 55.73 54.12 2nlu s ARG 79 Cb -0.14 -0.85 0.00 0.00 0.52 0.00 0.00 34.95 34.48 2nlu s ARG 79 CO -0.07 0.17 1.72 0.87 0.02 0.00 0.00 175.30 178.02 2nlu h LYS 80 N 3.85 0.58 0.09 3.54 1.57 -1.98 0.28 116.57 124.50 2nlu h LYS 80 Ca -0.40 -0.08 -0.26 0.00 -1.87 0.00 0.00 60.65 58.04 2nlu h LYS 80 Cb 1.19 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.40 2nlu h LYS 80 CO 0.46 0.50 -1.15 0.78 -0.57 0.00 0.00 179.45 179.47 2nlu h GLY 81 N 0.52 0.40 0.84 3.86 0.00 -1.98 -2.41 103.07 104.30 2nlu h GLY 81 Ca 0.14 -0.88 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 2nlu h GLY 81 CO -0.02 0.77 -0.26 -2.75 0.00 0.00 0.00 176.54 174.28 2nlu h PHE 82 N 0.14 -0.68 -0.55 5.60 3.04 -1.89 -0.10 116.94 122.50 2nlu h PHE 82 Ca -0.12 -0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.72 2nlu h PHE 82 Cb 1.83 0.23 -0.02 0.00 2.56 0.00 0.00 35.95 40.55 2nlu h PHE 82 CO 0.07 -0.36 0.00 0.77 -2.02 0.00 0.00 178.31 176.77 2nlu h SER 83 N -0.91 0.92 -0.26 0.41 0.02 -0.56 0.32 113.55 113.49 2nlu h SER 83 Ca -0.08 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.60 2nlu h SER 83 Cb 0.62 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2nlu h SER 83 CO 0.12 0.98 0.03 -0.08 -1.14 0.00 0.00 176.83 176.74 2nlu h GLU 84 N 0.88 0.44 -0.34 3.45 4.81 -1.44 0.78 114.58 123.15 2nlu h GLU 84 Ca 0.16 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 2nlu h GLU 84 Cb 0.51 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2nlu h GLU 84 CO 0.02 0.57 -0.30 0.78 -0.73 0.00 0.00 179.01 179.35 2nlu h GLY 85 N 0.25 0.88 2.00 1.92 0.00 -0.80 -1.25 103.07 106.06 2nlu h GLY 85 Ca 0.08 -0.88 -0.09 0.00 0.00 0.00 0.00 47.33 46.43 2nlu h GLY 85 CO 0.01 0.80 -0.43 -2.00 0.00 0.00 0.00 176.54 174.92 2nlu h LEU 86 N 0.59 0.00 -0.31 3.11 6.46 -0.92 -2.02 115.31 122.22 2nlu h LEU 86 Ca 0.06 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.71 2nlu h LEU 86 Cb 0.88 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 2nlu h LEU 86 CO 0.08 0.43 -0.25 -0.25 -0.62 0.00 0.00 178.44 177.83 2nlu h TRP 87 N 0.00 0.85 -0.14 1.25 7.01 -0.59 0.65 115.95 124.98 2nlu h TRP 87 Ca -0.00 -0.24 0.04 0.00 2.11 0.00 0.00 58.89 60.80 2nlu h TRP 87 Cb 0.81 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.68 2nlu h TRP 87 CO 0.00 0.98 0.14 0.93 -2.79 0.00 0.00 178.44 177.70 2nlu h GLU 88 N 0.47 0.00 0.00 2.65 4.39 -0.87 0.39 114.58 121.62 2nlu h GLU 88 Ca 0.06 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.60 2nlu h GLU 88 Cb 0.81 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 2nlu h GLU 88 CO 0.06 0.00 -1.21 0.82 -1.16 0.00 0.00 179.01 177.52 2nlu h ILE 89 N 0.00 0.58 0.00 3.13 1.08 -0.65 -3.36 117.51 118.29 2nlu h ILE 89 Ca 0.07 -2.04 0.00 0.00 -0.39 0.00 0.00 64.86 62.50 2nlu h ILE 89 Cb 0.34 2.11 0.00 0.00 -3.07 0.00 0.00 36.82 36.20 2nlu h ILE 89 CO -0.00 0.33 0.00 -0.08 -0.69 0.00 0.00 178.15 177.71 2nlu h GLU 90 N 0.00 0.00 -0.56 2.37 4.81 0.25 -1.33 114.58 120.13 2nlu h GLU 90 Ca -0.12 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.84 2nlu h GLU 90 Cb 1.54 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.76 2nlu h GLU 90 CO 0.05 0.00 0.16 0.27 -0.73 0.00 0.00 179.01 178.76 2nlu n ASN 91 N -2.89 3.09 -4.71 1.04 0.23 -1.12 -5.05 115.26 105.86 2nlu n ASN 91 Ca 0.00 -3.64 -0.35 0.00 -0.53 0.00 0.00 54.58 50.06 2nlu n ASN 91 Cb 0.24 -0.70 0.10 0.00 -2.08 0.00 0.00 39.78 37.34 2nlu n ASN 91 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2nlu s ASN 92 N -2.04 4.09 0.02 0.53 4.22 -0.50 -4.97 114.94 116.29 2nlu s ASN 92 Ca 0.49 2.51 -0.20 0.00 -2.14 0.00 0.00 52.86 53.51 2nlu s ASN 92 Cb 0.43 -2.60 -0.18 0.00 1.28 0.00 0.00 41.25 40.17 2nlu s ASN 92 CO 0.04 -2.34 1.23 -0.65 -2.04 0.00 0.00 177.10 173.34 2nlu h PRO 93 N -0.16 0.37 -4.00 3.55 0.11 -1.95 -3.36 132.00 126.56 2nlu h PRO 93 Ca -0.49 -0.27 -0.73 0.00 0.11 0.00 0.00 66.00 64.62 2nlu h PRO 93 Cb 1.32 0.05 -0.12 0.00 0.11 0.00 0.00 31.00 32.36 2nlu h PRO 93 CO 0.50 0.89 2.28 2.41 -0.21 0.00 0.00 178.00 183.87 2nlu n THR 94 N -4.43 4.04 -3.83 -1.15 -1.04 -1.26 -4.91 114.28 101.70 2nlu n THR 94 Ca -0.08 -4.01 -0.36 0.00 -2.04 0.00 0.00 64.05 57.56 2nlu n THR 94 Cb 0.48 -2.44 -0.13 0.00 -1.82 0.00 0.00 70.33 66.41 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 1.67 3.44 -1.32 12.58 0.11 -1.26 -4.81 120.40 130.80 2nlu s VAL 95 Ca 0.43 -1.10 -0.14 0.00 -2.93 0.00 0.00 61.98 58.24 2nlu s VAL 95 Cb 0.09 -2.89 0.10 0.00 -1.53 0.00 0.00 36.38 32.16 2nlu s VAL 95 CO -0.02 -0.04 1.84 0.29 -3.33 0.00 0.00 175.10 173.84 2nlu n LYS 96 N 4.74 3.23 -1.24 1.54 4.76 -1.26 -4.85 118.16 125.08 2nlu n LYS 96 Ca -0.14 -3.26 0.00 0.00 -2.87 0.00 0.00 58.31 52.04 2nlu n LYS 96 Cb 0.45 -3.23 0.00 0.00 -1.84 0.00 0.00 35.03 30.42 2nlu n LYS 96 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2nlu n ALA 97 N 6.25 -1.86 0.21 7.82 0.00 -1.26 -4.74 120.51 126.92 2nlu n ALA 97 Ca 0.45 0.35 0.08 0.00 0.00 0.00 0.00 53.44 54.33 2nlu n ALA 97 Cb 0.41 -1.21 0.38 0.00 0.00 0.00 0.00 19.45 19.04 2nlu n ALA 97 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2nlu h SER 98 N 1.29 0.00 -0.29 0.00 0.87 -1.97 -3.38 113.55 110.08 2nlu h SER 98 Ca 0.00 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.95 2nlu h SER 98 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2nlu h SER 98 CO 0.00 0.28 2.26 0.61 -0.53 0.00 0.00 176.83 179.45 2nlu n GLY 99 N 0.30 2.76 3.56 5.77 0.00 -1.26 -4.92 105.19 111.41 2nlu n GLY 99 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2nlu n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60