#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zjq n HIS 3 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -5.07 115.22 108.89 2zjq n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2zjq n HIS 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2zjq n HIS 3 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 2zjq n LYS 4 N 0.00 0.00 -1.32 -1.40 2.85 -1.26 -5.19 118.16 111.84 2zjq n LYS 4 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2zjq n LYS 4 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2zjq n LYS 4 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2zjq n LYS 5 N 0.00 2.09 -3.22 -1.58 4.01 -1.26 -5.13 118.16 113.08 2zjq n LYS 5 Ca 0.00 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.41 2zjq n LYS 5 Cb 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.46 2zjq n LYS 5 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2zjq s GLY 6 N -0.66 2.16 0.00 0.72 0.00 -1.26 -5.02 107.32 103.26 2zjq s GLY 6 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.42 2zjq s GLY 6 CO 0.00 1.07 0.00 -0.62 0.00 0.00 0.00 173.10 173.55 2zjq n VAL 7 N 4.37 0.00 -3.15 1.40 0.31 -1.26 -4.52 118.33 115.48 2zjq n VAL 7 Ca -0.04 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.11 2zjq n VAL 7 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 2zjq n VAL 7 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2zjq s GLY 8 N 0.00 1.87 0.13 2.92 0.00 -1.26 -5.06 107.32 105.91 2zjq s GLY 8 Ca 0.00 -1.63 -0.30 0.00 0.00 0.00 0.00 44.72 42.79 2zjq s GLY 8 CO 0.00 -1.47 1.12 -0.56 0.00 0.00 0.00 173.10 172.19 2zjq s SER 9 N -4.29 7.21 1.01 1.64 0.01 -1.26 -5.03 113.70 112.98 2zjq s SER 9 Ca 0.52 2.04 -0.01 0.00 1.31 0.00 0.00 55.95 59.82 2zjq s SER 9 Cb -0.10 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.55 2zjq s SER 9 CO 0.32 -0.31 0.04 -1.20 0.41 0.00 0.00 173.24 172.51 2zjq n SER 10 N 2.96 -0.95 -3.51 2.44 7.64 -1.26 -4.69 113.62 116.25 2zjq n SER 10 Ca 0.05 -0.56 -0.23 0.00 1.01 0.00 0.00 58.87 59.14 2zjq n SER 10 Cb 0.46 -0.04 0.01 0.00 -1.01 0.00 0.00 64.21 63.63 2zjq n SER 10 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2zjq n LYS 11 N -1.57 -1.33 0.00 1.43 5.02 -1.26 -4.98 118.16 115.46 2zjq n LYS 11 Ca 0.01 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 2zjq n LYS 11 Cb 0.02 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 2zjq n LYS 11 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2zjq n ASN 12 N -1.78 0.00 -0.01 4.39 3.02 -1.26 -5.06 115.26 114.56 2zjq n ASN 12 Ca -0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 2zjq n ASN 12 Cb 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 2zjq n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2zjq n GLY 13 N 5.00 0.11 3.73 7.41 0.00 -1.26 -5.14 105.19 115.05 2zjq n GLY 13 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2zjq n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2zjq s ARG 14 N 0.00 4.65 0.29 1.61 6.06 -1.26 -4.93 118.95 125.37 2zjq s ARG 14 Ca 0.00 1.57 0.00 0.00 -2.50 0.00 0.00 55.73 54.80 2zjq s ARG 14 Cb 0.00 -3.33 0.00 0.00 0.06 0.00 0.00 34.95 31.68 2zjq s ARG 14 CO 0.00 0.15 0.00 -0.25 -2.50 0.00 0.00 175.30 172.70 2zjq n ASP 15 N 2.62 -3.90 0.00 -2.12 10.43 -1.26 -5.12 116.55 117.20 2zjq n ASP 15 Ca 0.03 0.65 0.00 0.00 2.57 0.00 0.00 54.79 58.04 2zjq n ASP 15 Cb 0.48 -2.37 0.00 0.00 1.84 0.00 0.00 41.12 41.07 2zjq n ASP 15 CO 0.00 0.00 0.00 -0.24 -1.07 0.00 0.00 177.20 175.89 2zjq n SER 16 N -3.20 1.60 -3.84 -2.24 2.88 -1.26 -5.19 113.62 102.37 2zjq n SER 16 Ca -0.04 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.34 2zjq n SER 16 Cb 0.33 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.63 2zjq n SER 16 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2zjq s ASN 17 N 2.00 0.34 0.45 -3.46 0.01 -1.26 -5.04 114.94 107.97 2zjq s ASN 17 Ca 0.00 -0.02 0.33 0.00 -0.71 0.00 0.00 52.86 52.46 2zjq s ASN 17 Cb 0.00 -0.15 1.51 0.00 0.41 0.00 0.00 41.25 43.02 2zjq s ASN 17 CO 0.00 -0.07 1.58 -0.65 -1.51 0.00 0.00 177.10 176.45 2zjq h PRO 18 N 6.93 0.01 -1.01 -0.60 0.11 -2.09 -3.47 132.00 131.88 2zjq h PRO 18 Ca -0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2zjq h PRO 18 Cb 1.15 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2zjq h PRO 18 CO 0.49 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.64 2zjq n LYS 19 N -4.70 0.00 0.00 1.05 2.85 -1.26 -5.10 118.16 111.00 2zjq n LYS 19 Ca 0.41 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.67 2zjq n LYS 19 Cb 1.60 -0.25 0.00 0.00 -0.65 0.00 0.00 35.03 35.72 2zjq n LYS 19 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2zjq n TYR 20 N -0.49 0.00 0.00 5.58 4.01 -1.26 -5.18 117.16 119.82 2zjq n TYR 20 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2zjq n TYR 20 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2zjq n TYR 20 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2zjq n LEU 21 N 0.00 0.00 0.00 7.72 4.77 -1.26 -5.11 117.00 123.11 2zjq n LEU 21 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2zjq n LEU 21 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2zjq n LEU 21 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2zjq n GLY 22 N 1.94 0.21 3.49 -0.72 0.00 -0.17 -5.00 105.19 104.94 2zjq n GLY 22 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 2zjq n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2zjq s VAL 23 N 0.00 -0.01 -0.20 1.61 1.01 -1.26 -3.99 120.40 117.56 2zjq s VAL 23 Ca 0.00 0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.10 2zjq s VAL 23 Cb 0.00 -0.83 -0.19 0.00 0.00 0.00 0.00 36.38 35.36 2zjq s VAL 23 CO 0.00 0.01 -0.05 0.29 0.00 0.00 0.00 175.10 175.35 2zjq n LYS 24 N 3.60 0.86 -4.48 2.72 4.76 0.52 -4.94 118.16 121.20 2zjq n LYS 24 Ca -0.18 0.05 -0.27 0.00 -2.87 0.00 0.00 58.31 55.04 2zjq n LYS 24 Cb 0.57 -1.46 -0.17 0.00 -1.84 0.00 0.00 35.03 32.13 2zjq n LYS 24 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2zjq s LYS 25 N -2.44 2.00 0.13 1.97 -0.14 -0.66 -4.92 119.74 115.67 2zjq s LYS 25 Ca -0.18 -0.49 0.00 0.00 -1.36 0.00 0.00 55.97 53.94 2zjq s LYS 25 Cb 0.06 -1.70 -0.04 0.00 -1.68 0.00 0.00 37.83 34.47 2zjq s LYS 25 CO 0.65 -0.04 0.29 -0.06 -0.76 0.00 0.00 175.35 175.43 2zjq s PHE 26 N 0.92 3.50 -0.39 3.18 0.40 -1.26 -4.90 117.98 119.42 2zjq s PHE 26 Ca -0.09 0.25 -0.44 0.00 -0.60 0.00 0.00 56.93 56.05 2zjq s PHE 26 Cb -0.15 -1.76 -0.18 0.00 0.51 0.00 0.00 43.02 41.43 2zjq s PHE 26 CO 0.00 0.51 1.64 0.41 0.70 0.00 0.00 175.22 178.48 2zjq n GLY 27 N -0.24 0.45 0.00 4.36 0.00 -1.26 -0.65 105.19 107.85 2zjq n GLY 27 Ca -0.05 0.97 0.00 0.00 0.00 0.00 0.00 46.02 46.93 2zjq n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zjq n GLY 28 N 4.00 2.85 3.73 -0.02 0.00 -0.69 -5.02 105.19 110.04 2zjq n GLY 28 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 2zjq n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2zjq s GLU 29 N -0.51 4.38 -1.01 1.61 2.02 0.17 -4.64 118.70 120.72 2zjq s GLU 29 Ca 0.00 2.04 -0.23 0.00 0.02 0.00 0.00 54.97 56.80 2zjq s GLU 29 Cb 0.00 -3.21 -0.01 0.00 0.10 0.00 0.00 34.13 31.01 2zjq s GLU 29 CO 0.00 -0.28 1.75 0.08 0.02 0.00 0.00 175.26 176.83 2zjq s VAL 30 N 0.32 3.69 0.73 2.63 1.01 -1.26 0.63 120.40 128.16 2zjq s VAL 30 Ca 0.58 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 2zjq s VAL 30 Cb -0.36 -4.56 0.17 0.00 0.00 0.00 0.00 36.38 31.63 2zjq s VAL 30 CO 0.36 -1.41 0.39 1.33 0.00 0.00 0.00 175.10 175.77 2zjq n VAL 31 N 7.38 0.00 -3.48 2.92 0.24 -0.28 -4.85 118.33 120.25 2zjq n VAL 31 Ca 0.39 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.69 2zjq n VAL 31 Cb 0.48 -0.44 -0.00 0.00 -1.47 0.00 0.00 33.84 32.41 2zjq n VAL 31 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2zjq n LYS 32 N -2.90 0.01 -2.84 7.34 4.81 -1.26 -3.62 118.16 119.70 2zjq n LYS 32 Ca 0.06 -0.02 -0.42 0.00 -0.87 0.00 0.00 58.31 57.06 2zjq n LYS 32 Cb 0.27 0.02 -0.04 0.00 0.02 0.00 0.00 35.03 35.31 2zjq n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2zjq s ALA 33 N -1.49 3.48 0.00 3.14 0.00 -1.17 -4.13 121.76 121.59 2zjq s ALA 33 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2zjq s ALA 33 Cb -0.00 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2zjq s ALA 33 CO 0.00 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2zjq n GLY 34 N 3.34 2.79 2.22 0.00 0.00 -0.94 -5.02 105.19 107.57 2zjq n GLY 34 Ca 0.06 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 2zjq n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2zjq n ASN 35 N 2.49 -2.26 -4.78 1.61 3.02 -1.26 -4.37 115.26 109.70 2zjq n ASN 35 Ca 0.00 0.49 -0.34 0.00 -0.03 0.00 0.00 54.58 54.70 2zjq n ASN 35 Cb 0.00 -0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 38.51 2zjq n ASN 35 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2zjq s ILE 36 N -1.27 4.83 -0.07 2.41 1.01 -1.26 -1.90 121.20 124.94 2zjq s ILE 36 Ca 0.39 -0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.90 2zjq s ILE 36 Cb -0.38 -3.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.86 2zjq s ILE 36 CO 0.44 0.48 0.04 0.18 0.00 0.00 0.00 174.94 176.08 2zjq n LEU 37 N 1.62 0.00 -3.65 2.97 4.32 0.28 -4.11 117.00 118.42 2zjq n LEU 37 Ca -0.16 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.78 2zjq n LEU 37 Cb 0.53 0.16 -0.06 0.00 -1.62 0.00 0.00 43.42 42.44 2zjq n LEU 37 CO 0.34 0.16 0.25 -0.69 -1.22 0.00 0.00 177.39 176.24 2zjq s VAL 38 N -2.20 -0.53 -0.42 4.08 1.01 -1.18 -0.35 120.40 120.80 2zjq s VAL 38 Ca -0.03 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 2zjq s VAL 38 Cb 0.02 -0.94 0.08 0.00 0.00 0.00 0.00 36.38 35.54 2zjq s VAL 38 CO 0.30 0.01 0.27 -0.13 0.00 0.00 0.00 175.10 175.55 2zjq s ARG 39 N 2.30 2.66 0.40 2.72 0.52 -1.26 -1.09 118.95 125.20 2zjq s ARG 39 Ca -0.07 -1.44 0.04 0.00 -0.52 0.00 0.00 55.73 53.75 2zjq s ARG 39 Cb -0.09 -3.82 -0.06 0.00 0.52 0.00 0.00 34.95 31.50 2zjq s ARG 39 CO -0.18 -0.96 0.04 1.14 0.02 0.00 0.00 175.30 175.36 2zjq s GLN 40 N 1.45 1.90 -0.16 3.54 -2.07 -1.26 -1.00 119.66 122.07 2zjq s GLN 40 Ca 0.03 -2.11 -0.12 0.00 -1.82 0.00 0.00 55.36 51.34 2zjq s GLN 40 Cb -0.23 -1.25 -0.05 0.00 -1.09 0.00 0.00 33.01 30.39 2zjq s GLN 40 CO 0.03 -0.20 -0.19 0.54 -1.32 0.00 0.00 175.29 174.15 2zjq n ARG 41 N -0.92 0.48 0.00 9.60 5.12 -1.26 -4.60 116.66 125.08 2zjq n ARG 41 Ca -0.07 0.46 0.00 0.00 -1.93 0.00 0.00 57.85 56.32 2zjq n ARG 41 Cb 0.67 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 2zjq n ARG 41 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2zjq n GLY 42 N 1.56 0.46 2.84 -0.13 0.00 -1.26 -4.70 105.19 103.97 2zjq n GLY 42 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 2zjq n GLY 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2zjq n THR 43 N 0.00 2.98 -0.12 2.61 -1.04 -1.26 -4.71 114.28 112.74 2zjq n THR 43 Ca 0.00 -5.52 -0.12 0.00 -2.04 0.00 0.00 64.05 56.37 2zjq n THR 43 Cb 0.00 -1.54 -0.03 0.00 -1.82 0.00 0.00 70.33 66.95 2zjq n THR 43 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2zjq h LYS 44 N 3.22 0.74 -4.30 -2.82 3.64 -1.93 -3.41 116.57 111.71 2zjq h LYS 44 Ca 0.15 -0.32 -0.60 0.00 -1.27 0.00 0.00 60.65 58.61 2zjq h LYS 44 Cb 0.53 -0.02 -0.38 0.00 -0.41 0.00 0.00 32.23 31.95 2zjq h LYS 44 CO 0.83 0.93 -0.79 -0.06 -2.27 0.00 0.00 179.45 178.08 2zjq s PHE 45 N -4.64 2.18 -0.11 1.91 0.40 -1.26 -3.82 117.98 112.64 2zjq s PHE 45 Ca -0.12 -1.55 -0.30 0.00 -0.60 0.00 0.00 56.93 54.36 2zjq s PHE 45 Cb 0.10 -1.50 -0.02 0.00 0.51 0.00 0.00 43.02 42.10 2zjq s PHE 45 CO 0.82 -0.73 1.15 0.15 0.70 0.00 0.00 175.22 177.31 2zjq s LYS 46 N 1.47 4.33 -0.47 0.44 1.02 0.31 -4.89 119.74 121.96 2zjq s LYS 46 Ca -0.04 1.57 -0.34 0.00 0.02 0.00 0.00 55.97 57.18 2zjq s LYS 46 Cb -0.18 -3.61 -0.13 0.00 -0.52 0.00 0.00 37.83 33.40 2zjq s LYS 46 CO -0.07 -0.49 2.28 0.00 -0.92 0.00 0.00 175.35 176.15 2zjq n ALA 47 N 5.58 0.86 -1.00 5.17 0.00 -1.26 -3.73 120.51 126.13 2zjq n ALA 47 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2zjq n ALA 47 Cb 0.46 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.37 2zjq n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2zjq n GLY 48 N 6.57 -0.14 3.64 0.00 0.00 -0.14 -4.85 105.19 110.27 2zjq n GLY 48 Ca 0.45 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 2zjq n GLY 48 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2zjq s GLN 49 N 0.00 4.17 0.00 1.61 0.74 -1.22 -3.74 119.66 121.21 2zjq s GLN 49 Ca 0.00 0.89 0.00 0.00 0.05 0.00 0.00 55.36 56.30 2zjq s GLN 49 Cb 0.00 -3.65 0.00 0.00 1.10 0.00 0.00 33.01 30.46 2zjq s GLN 49 CO 0.00 -0.51 0.00 0.41 -0.55 0.00 0.00 175.29 174.64 2zjq n GLY 50 N 3.81 0.73 3.20 2.59 0.00 -1.26 -1.14 105.19 113.12 2zjq n GLY 50 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2zjq n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2zjq s VAL 51 N -2.55 3.13 0.94 1.61 1.01 -1.25 -2.71 120.40 120.59 2zjq s VAL 51 Ca 0.00 -1.25 -0.14 0.00 0.00 0.00 0.00 61.98 60.59 2zjq s VAL 51 Cb 0.00 -2.75 0.16 0.00 0.00 0.00 0.00 36.38 33.79 2zjq s VAL 51 CO 0.00 -0.05 1.18 -0.83 0.00 0.00 0.00 175.10 175.40 2zjq s GLY 52 N 1.30 1.62 -0.27 4.51 0.00 -0.34 -4.45 107.32 109.68 2zjq s GLY 52 Ca -0.03 -0.74 -0.02 0.00 0.00 0.00 0.00 44.72 43.93 2zjq s GLY 52 CO -0.01 -0.10 0.24 -0.29 0.00 0.00 0.00 173.10 172.94 2zjq s MET 53 N -5.47 0.26 1.10 2.90 0.00 -1.26 -2.43 119.30 114.41 2zjq s MET 53 Ca 0.67 -0.15 -0.17 0.00 0.00 0.00 0.00 55.69 56.04 2zjq s MET 53 Cb -0.11 -0.91 0.12 0.00 0.00 0.00 0.00 34.83 33.93 2zjq s MET 53 CO 0.53 -0.94 0.23 0.41 0.00 0.00 0.00 175.02 175.25 2zjq n GLY 54 N 5.30 -2.33 0.40 2.11 0.00 -0.92 -4.79 105.19 104.96 2zjq n GLY 54 Ca -0.04 -0.84 0.21 0.00 0.00 0.00 0.00 46.02 45.36 2zjq n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2zjq h ARG 55 N -2.09 0.41 -1.79 1.61 2.43 -2.01 -2.13 114.38 110.80 2zjq h ARG 55 Ca -0.53 -0.02 -0.60 0.00 -0.81 0.00 0.00 59.98 58.01 2zjq h ARG 55 Cb 1.34 -0.09 -0.22 0.00 -0.42 0.00 0.00 29.97 30.58 2zjq h ARG 55 CO 0.39 0.27 0.70 -0.40 -1.51 0.00 0.00 179.97 179.43 2zjq n ASP 56 N -4.61 7.03 -0.78 -3.80 5.75 -1.26 -4.80 116.55 114.08 2zjq n ASP 56 Ca 0.24 -3.50 -0.07 0.00 -0.01 0.00 0.00 54.79 51.46 2zjq n ASP 56 Cb 0.82 -1.12 -0.03 0.00 -1.03 0.00 0.00 41.12 39.76 2zjq n ASP 56 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2zjq n HIS 57 N 0.05 -0.27 -1.20 2.11 8.25 -0.80 -4.43 115.22 118.94 2zjq n HIS 57 Ca 0.50 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.66 2zjq n HIS 57 Cb 0.46 -1.92 0.13 0.00 1.12 0.00 0.00 29.99 29.79 2zjq n HIS 57 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2zjq s THR 58 N -1.37 2.73 -0.06 1.59 2.01 -1.24 -4.18 115.64 115.12 2zjq s THR 58 Ca 0.00 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.24 2zjq s THR 58 Cb 0.00 -2.71 0.02 0.00 0.01 0.00 0.00 72.50 69.82 2zjq s THR 58 CO 0.00 -0.31 -0.06 -0.76 -0.69 0.00 0.00 174.62 172.80 2zjq s LEU 59 N -6.20 1.30 0.25 4.42 1.43 -0.25 -2.17 118.68 117.47 2zjq s LEU 59 Ca 0.63 -0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.60 2zjq s LEU 59 Cb -0.18 -0.57 -0.05 0.00 0.03 0.00 0.00 46.19 45.42 2zjq s LEU 59 CO 0.57 -0.06 -0.02 0.72 0.23 0.00 0.00 176.35 177.79 2zjq s PHE 60 N 1.06 1.72 -0.25 0.29 -0.71 -1.02 0.98 117.98 120.05 2zjq s PHE 60 Ca -0.08 -0.84 -0.17 0.00 -1.04 0.00 0.00 56.93 54.80 2zjq s PHE 60 Cb -0.14 -1.00 -0.03 0.00 -1.21 0.00 0.00 43.02 40.64 2zjq s PHE 60 CO -0.01 0.08 0.45 0.00 -1.34 0.00 0.00 175.22 174.40 2zjq s ALA 61 N -3.27 3.57 0.07 1.99 0.00 -0.80 -1.20 121.76 122.12 2zjq s ALA 61 Ca 0.29 -0.65 -0.15 0.00 0.00 0.00 0.00 51.96 51.44 2zjq s ALA 61 Cb 0.05 -2.79 -0.19 0.00 0.00 0.00 0.00 23.12 20.20 2zjq s ALA 61 CO 0.10 -0.63 1.24 -0.07 0.00 0.00 0.00 175.76 176.40 2zjq h LEU 62 N 8.50 0.79 0.00 0.00 -0.00 -1.76 -2.51 115.31 120.33 2zjq h LEU 62 Ca -0.31 -0.67 0.00 0.00 -0.00 0.00 0.00 57.88 56.90 2zjq h LEU 62 Cb 1.15 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 2zjq h LEU 62 CO 0.69 1.33 0.00 -1.54 -0.00 0.00 0.00 178.44 178.93 2zjq n SER 63 N -4.06 1.90 -4.92 -0.43 3.41 -1.26 -4.76 113.62 103.50 2zjq n SER 63 Ca -0.09 -0.01 -0.23 0.00 -0.26 0.00 0.00 58.87 58.28 2zjq n SER 63 Cb 0.71 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.66 2zjq n SER 63 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2zjq s ASP 64 N 0.88 4.84 0.00 4.04 1.11 -1.26 -3.02 116.67 123.26 2zjq s ASP 64 Ca 0.00 -1.02 0.00 0.00 0.18 0.00 0.00 52.55 51.71 2zjq s ASP 64 Cb 0.00 0.09 0.00 0.00 1.07 0.00 0.00 42.92 44.08 2zjq s ASP 64 CO 0.00 -1.01 0.00 0.61 1.18 0.00 0.00 175.17 175.95 2zjq n GLY 65 N -1.78 0.92 3.50 0.21 0.00 -1.24 -4.62 105.19 102.18 2zjq n GLY 65 Ca 0.03 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 2zjq n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2zjq s LYS 66 N -1.92 2.72 0.20 1.61 2.20 -1.26 -1.13 119.74 122.16 2zjq s LYS 66 Ca 0.00 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.67 2zjq s LYS 66 Cb 0.00 -2.49 -0.08 0.00 -1.51 0.00 0.00 37.83 33.74 2zjq s LYS 66 CO 0.00 0.58 1.06 0.08 -0.36 0.00 0.00 175.35 176.71 2zjq s VAL 67 N -0.60 3.88 0.03 4.02 1.01 0.21 -2.41 120.40 126.54 2zjq s VAL 67 Ca 0.09 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.78 2zjq s VAL 67 Cb -0.11 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 2zjq s VAL 67 CO 0.01 0.33 -0.04 -0.69 0.00 0.00 0.00 175.10 174.72 2zjq s VAL 68 N -0.55 0.23 -0.16 2.92 1.01 -0.73 -1.71 120.40 121.41 2zjq s VAL 68 Ca 0.47 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2zjq s VAL 68 Cb -0.29 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.59 2zjq s VAL 68 CO 0.35 -0.54 -0.21 -0.36 0.00 0.00 0.00 175.10 174.34 2zjq s PHE 69 N -1.79 2.71 -0.20 5.22 0.40 -1.26 -2.41 117.98 120.66 2zjq s PHE 69 Ca -0.11 -1.50 0.01 0.00 -0.60 0.00 0.00 56.93 54.72 2zjq s PHE 69 Cb -0.07 -1.86 0.04 0.00 0.51 0.00 0.00 43.02 41.63 2zjq s PHE 69 CO -0.02 -0.72 -0.12 0.42 0.70 0.00 0.00 175.22 175.48 2zjq s ILE 70 N 1.09 1.76 -0.27 0.64 1.01 -0.33 -5.01 121.20 120.08 2zjq s ILE 70 Ca -0.00 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.64 2zjq s ILE 70 Cb -0.14 -1.78 0.07 0.00 0.01 0.00 0.00 42.46 40.62 2zjq s ILE 70 CO -0.08 0.24 -0.06 0.21 0.00 0.00 0.00 174.94 175.25 2zjq s ASN 71 N 1.35 4.37 -0.47 3.58 3.84 -1.26 0.12 114.94 126.48 2zjq s ASN 71 Ca -0.00 -1.51 -0.21 0.00 0.21 0.00 0.00 52.86 51.35 2zjq s ASN 71 Cb -0.16 -1.47 0.03 0.00 -0.55 0.00 0.00 41.25 39.11 2zjq s ASN 71 CO -0.09 -0.25 0.67 -0.54 -2.79 0.00 0.00 177.10 174.11 2zjq s LYS 72 N 1.14 3.24 -1.29 0.43 1.02 -1.11 -4.45 119.74 118.73 2zjq s LYS 72 Ca -0.04 -0.49 -0.16 0.00 0.02 0.00 0.00 55.97 55.30 2zjq s LYS 72 Cb -0.19 -4.00 0.16 0.00 -0.52 0.00 0.00 37.83 33.28 2zjq s LYS 72 CO -0.06 -1.11 0.41 0.41 -0.92 0.00 0.00 175.35 174.07 2zjq n GLY 73 N 5.08 -0.33 7.00 -3.33 0.00 -1.26 -4.22 105.19 108.13 2zjq n GLY 73 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2zjq n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2zjq n LYS 74 N -3.12 0.00 0.00 1.61 4.76 -1.26 -4.79 118.16 115.35 2zjq n LYS 74 Ca 0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2zjq n LYS 74 Cb 0.36 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 2zjq n LYS 74 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2zjq n GLY 75 N 0.00 0.00 3.13 0.72 0.00 -1.26 -4.32 105.19 103.46 2zjq n GLY 75 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2zjq n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zjq s ALA 76 N 0.00 -0.75 0.25 4.61 0.00 -1.26 -5.01 121.76 119.61 2zjq s ALA 76 Ca 0.00 1.19 0.07 0.00 0.00 0.00 0.00 51.96 53.22 2zjq s ALA 76 Cb 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 2zjq s ALA 76 CO 0.00 -0.27 -0.09 1.03 0.00 0.00 0.00 175.76 176.43 2zjq s ARG 77 N 1.44 1.45 0.03 0.00 1.81 -1.25 -2.74 118.95 119.69 2zjq s ARG 77 Ca -0.08 -1.70 -0.14 0.00 -1.72 0.00 0.00 55.73 52.08 2zjq s ARG 77 Cb -0.10 -1.12 0.02 0.00 -0.45 0.00 0.00 34.95 33.31 2zjq s ARG 77 CO -0.10 0.09 0.31 -0.06 -0.68 0.00 0.00 175.30 174.86 2zjq s PHE 78 N -3.01 -0.14 -0.09 -0.53 0.40 0.32 0.11 117.98 115.04 2zjq s PHE 78 Ca 0.27 0.08 0.03 0.00 -0.60 0.00 0.00 56.93 56.70 2zjq s PHE 78 Cb 0.02 0.10 0.01 0.00 0.51 0.00 0.00 43.02 43.66 2zjq s PHE 78 CO 0.10 -0.48 -0.17 0.42 0.70 0.00 0.00 175.22 175.80 2zjq s ILE 79 N -2.19 1.51 0.40 0.64 1.01 -1.24 -1.19 121.20 120.13 2zjq s ILE 79 Ca -0.07 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 59.93 2zjq s ILE 79 Cb -0.02 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 2zjq s ILE 79 CO -0.01 0.44 0.05 -0.44 0.00 0.00 0.00 174.94 174.98 2zjq s SER 80 N 0.65 3.17 -0.44 3.58 0.01 -1.01 -0.96 113.70 118.69 2zjq s SER 80 Ca -0.14 -1.48 0.02 0.00 1.31 0.00 0.00 55.95 55.67 2zjq s SER 80 Cb -0.16 0.04 0.14 0.00 0.21 0.00 0.00 66.02 66.25 2zjq s SER 80 CO 0.04 -0.66 0.27 -0.63 0.41 0.00 0.00 173.24 172.67 2zjq s ILE 81 N -3.05 1.14 -0.50 1.44 1.01 -0.29 -1.77 121.20 119.19 2zjq s ILE 81 Ca 0.28 -2.56 -0.06 0.00 0.00 0.00 0.00 60.65 58.32 2zjq s ILE 81 Cb 0.07 -1.80 -0.14 0.00 0.01 0.00 0.00 42.46 40.60 2zjq s ILE 81 CO 0.14 -0.97 2.63 -0.62 0.00 0.00 0.00 174.94 176.12 2zjq n GLU 82 N 3.40 1.97 0.00 2.79 1.02 -1.01 -4.66 120.64 124.15 2zjq n GLU 82 Ca 0.13 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.12 2zjq n GLU 82 Cb 0.37 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 2zjq n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2zjq n ALA 83 N 3.19 -1.41 -0.00 0.62 0.00 -1.26 -4.34 120.51 117.30 2zjq n ALA 83 Ca 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.86 2zjq n ALA 83 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.91 2zjq n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2zjq h ALA 84 N 0.00 -0.07 0.00 0.00 0.00 -1.88 -3.43 119.26 113.89 2zjq h ALA 84 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2zjq h ALA 84 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2zjq h ALA 84 CO 0.00 -0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.22