#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zjq n GLN 6 N 0.00 3.76 0.00 6.28 6.02 -1.26 -5.01 117.38 127.18 2zjq n GLN 6 Ca 0.00 -2.88 0.00 0.00 -0.01 0.00 0.00 57.00 54.11 2zjq n GLN 6 Cb 0.00 -1.93 0.00 0.00 1.02 0.00 0.00 30.24 29.33 2zjq n GLN 6 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2zjq n THR 7 N 0.39 0.00 -3.07 5.09 -1.04 -1.26 -5.09 114.28 109.31 2zjq n THR 7 Ca 0.24 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2zjq n THR 7 Cb 0.94 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.45 2zjq n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2zjq n GLY 8 N -1.05 -0.98 0.00 3.41 0.00 -1.26 -4.94 105.19 100.37 2zjq n GLY 8 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2zjq n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zjq n GLY 9 N 1.37 0.00 0.00 -0.02 0.00 -1.26 -4.71 105.19 100.57 2zjq n GLY 9 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2zjq n GLY 9 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2zjq n LYS 10 N 0.00 0.00 -1.13 1.61 2.85 -1.26 -4.74 118.16 115.49 2zjq n LYS 10 Ca 0.00 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.39 2zjq n LYS 10 Cb 0.00 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.34 2zjq n LYS 10 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2zjq n GLN 11 N 0.00 -2.12 0.00 -1.58 1.13 -1.19 -4.89 117.38 108.72 2zjq n GLN 11 Ca 0.00 1.56 0.00 0.00 -1.94 0.00 0.00 57.00 56.62 2zjq n GLN 11 Cb 0.00 -2.68 0.00 0.00 0.11 0.00 0.00 30.24 27.67 2zjq n GLN 11 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2zjq n TYR 12 N -3.49 0.00 -0.14 1.08 9.36 -1.08 -4.80 117.16 118.08 2zjq n TYR 12 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 2zjq n TYR 12 Cb 0.63 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.34 2zjq n TYR 12 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 2zjq n ARG 13 N 0.00 0.00 0.00 2.98 0.63 -1.26 -4.97 116.66 114.04 2zjq n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2zjq n ARG 13 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2zjq n ARG 13 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2zjq n VAL 14 N 9.00 0.00 -0.50 5.15 0.31 -1.26 -5.04 118.33 125.99 2zjq n VAL 14 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2zjq n VAL 14 Cb 0.00 1.56 0.00 0.00 -0.91 0.00 0.00 33.84 34.49 2zjq n VAL 14 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2zjq n SER 15 N 0.00 -0.66 -4.12 4.52 7.64 -1.26 -4.92 113.62 114.82 2zjq n SER 15 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 2zjq n SER 15 Cb 0.28 -0.33 -0.09 0.00 -1.01 0.00 0.00 64.21 63.06 2zjq n SER 15 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2zjq s GLU 16 N -0.12 1.68 -0.26 1.43 2.02 -1.25 -4.79 118.70 117.42 2zjq s GLU 16 Ca 0.00 -1.97 -0.13 0.00 0.02 0.00 0.00 54.97 52.89 2zjq s GLU 16 Cb 0.00 -0.37 -0.04 0.00 0.10 0.00 0.00 34.13 33.81 2zjq s GLU 16 CO 0.00 -0.41 0.27 0.20 0.02 0.00 0.00 175.26 175.34 2zjq s GLY 17 N -3.45 1.94 0.07 -1.39 0.00 -1.26 0.07 107.32 103.29 2zjq s GLY 17 Ca 0.33 -0.90 0.04 0.00 0.00 0.00 0.00 44.72 44.19 2zjq s GLY 17 CO 0.16 0.72 -0.11 0.51 0.00 0.00 0.00 173.10 174.38 2zjq s ASP 18 N 1.50 1.35 -0.22 1.64 1.47 -0.85 -4.95 116.67 116.61 2zjq s ASP 18 Ca 0.11 -0.63 -0.13 0.00 1.18 0.00 0.00 52.55 53.07 2zjq s ASP 18 Cb -0.15 -0.01 -0.04 0.00 -0.34 0.00 0.00 42.92 42.37 2zjq s ASP 18 CO 0.09 -0.16 0.29 -0.69 0.68 0.00 0.00 175.17 175.38 2zjq s VAL 19 N -1.55 5.28 0.02 2.11 1.01 -1.26 -1.94 120.40 124.06 2zjq s VAL 19 Ca -0.03 0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 2zjq s VAL 19 Cb -0.09 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2zjq s VAL 19 CO 0.01 0.30 -0.01 0.27 0.00 0.00 0.00 175.10 175.67 2zjq s ILE 20 N 1.14 0.11 0.96 2.22 -5.25 -0.97 -4.98 121.20 114.43 2zjq s ILE 20 Ca 0.14 -0.89 -0.17 0.00 -0.99 0.00 0.00 60.65 58.74 2zjq s ILE 20 Cb -0.14 -0.29 -0.14 0.00 2.95 0.00 0.00 42.46 44.85 2zjq s ILE 20 CO 0.06 -0.49 -0.68 -2.11 -1.79 0.00 0.00 174.94 169.93 2zjq n ARG 21 N 1.58 -0.02 -1.39 0.37 0.00 -1.26 -0.19 116.66 115.74 2zjq n ARG 21 Ca -0.24 -0.00 -0.45 0.00 -0.00 0.00 0.00 57.85 57.16 2zjq n ARG 21 Cb 0.55 -1.06 -0.02 0.00 -0.00 0.00 0.00 32.46 31.94 2zjq n ARG 21 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2zjq n VAL 22 N -2.50 1.58 -1.19 8.89 0.24 -1.26 -3.91 118.33 120.17 2zjq n VAL 22 Ca -0.01 -0.50 0.03 0.00 -2.04 0.00 0.00 64.34 61.82 2zjq n VAL 22 Cb 0.55 -0.15 0.23 0.00 -1.47 0.00 0.00 33.84 33.00 2zjq n VAL 22 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2zjq n GLU 23 N 1.03 2.35 0.00 7.34 -0.58 -1.26 -4.90 120.64 124.61 2zjq n GLU 23 Ca 0.15 -2.97 0.00 0.00 -0.42 0.00 0.00 57.16 53.92 2zjq n GLU 23 Cb 0.32 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 2zjq n GLU 23 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2zjq n SER 24 N -0.84 0.00 -4.51 1.62 2.88 -1.26 -4.65 113.62 106.86 2zjq n SER 24 Ca 0.26 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.45 2zjq n SER 24 Cb 0.94 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 64.25 2zjq n SER 24 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2zjq n LEU 25 N 0.00 0.18 0.00 2.46 4.77 -1.26 -4.86 117.00 118.30 2zjq n LEU 25 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2zjq n LEU 25 Cb 0.00 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 2zjq n LEU 25 CO 0.00 -1.02 0.00 1.67 -1.33 0.00 0.00 177.39 176.71 2zjq n GLN 26 N 7.95 2.80 0.00 3.23 7.27 -1.26 -4.88 117.38 132.48 2zjq n GLN 26 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.70 2zjq n GLN 26 Cb 0.12 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.77 2zjq n GLN 26 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2zjq n GLY 27 N 2.90 1.22 0.00 1.69 0.00 -1.26 -4.69 105.19 105.06 2zjq n GLY 27 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2zjq n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2zjq n GLU 28 N 3.71 0.00 -0.03 1.61 4.71 -1.26 -4.84 120.64 124.54 2zjq n GLU 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2zjq n GLU 28 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2zjq n GLU 28 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2zjq n ALA 29 N -3.00 0.00 -0.84 0.62 0.00 -0.61 -4.68 120.51 112.00 2zjq n ALA 29 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2zjq n ALA 29 Cb 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.32 2zjq n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2zjq n GLY 30 N 0.51 0.18 1.33 0.00 0.00 -1.26 -4.64 105.19 101.31 2zjq n GLY 30 Ca 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 2zjq n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2zjq n ASP 31 N 7.78 0.14 -4.82 1.61 8.00 -1.26 -4.12 116.55 123.89 2zjq n ASP 31 Ca 0.25 0.11 -0.38 0.00 0.71 0.00 0.00 54.79 55.47 2zjq n ASP 31 Cb 0.37 -0.35 -0.06 0.00 -0.02 0.00 0.00 41.12 41.06 2zjq n ASP 31 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2zjq s LYS 32 N 3.25 4.06 -0.12 -1.24 -0.14 0.80 -4.88 119.74 121.46 2zjq s LYS 32 Ca 0.51 0.57 0.02 0.00 -1.36 0.00 0.00 55.97 55.71 2zjq s LYS 32 Cb -0.50 -3.23 0.01 0.00 -1.68 0.00 0.00 37.83 32.43 2zjq s LYS 32 CO 0.20 0.66 -0.17 0.14 -0.76 0.00 0.00 175.35 175.42 2zjq s VAL 33 N -1.06 1.66 0.08 3.17 -7.23 -1.26 0.14 120.40 115.90 2zjq s VAL 33 Ca 0.26 -0.74 0.10 0.00 -1.81 0.00 0.00 61.98 59.79 2zjq s VAL 33 Cb -0.18 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 2zjq s VAL 33 CO 0.16 0.47 -0.25 -1.61 -0.31 0.00 0.00 175.10 173.56 2zjq s GLU 34 N 1.00 1.69 0.00 4.82 0.41 0.22 -4.98 118.70 121.85 2zjq s GLU 34 Ca -0.05 -1.19 0.00 0.00 -0.41 0.00 0.00 54.97 53.32 2zjq s GLU 34 Cb -0.15 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.22 2zjq s GLU 34 CO -0.03 0.49 0.00 -0.11 -0.49 0.00 0.00 175.26 175.12 2zjq n LEU 35 N 1.40 0.00 0.00 1.80 0.00 -1.26 -1.02 117.00 117.92 2zjq n LEU 35 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.84 2zjq n LEU 35 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.94 2zjq n LEU 35 CO 0.24 0.00 0.00 0.29 0.00 0.00 0.00 177.39 177.92 2zjq n LYS 36 N 0.00 0.00 -0.00 1.96 5.02 -1.26 -3.08 118.16 120.80 2zjq n LYS 36 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2zjq n LYS 36 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2zjq n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2zjq n ALA 37 N -1.09 1.81 -2.50 7.82 0.00 -1.26 -4.46 120.51 120.84 2zjq n ALA 37 Ca 0.00 -0.11 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 2zjq n ALA 37 Cb 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.35 2zjq n ALA 37 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2zjq s LEU 38 N -5.07 2.54 0.00 0.00 1.98 -1.26 -2.66 118.68 114.21 2zjq s LEU 38 Ca -0.00 -1.28 0.00 0.00 -2.89 0.00 0.00 54.13 49.96 2zjq s LEU 38 Cb 0.00 -0.69 0.00 0.00 0.66 0.00 0.00 46.19 46.16 2zjq s LEU 38 CO 0.01 -0.41 0.00 2.22 -1.89 0.00 0.00 176.35 176.28 2zjq n PHE 39 N -0.73 0.00 -3.42 5.38 1.16 -0.77 -2.64 117.46 116.44 2zjq n PHE 39 Ca -0.04 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.27 2zjq n PHE 39 Cb 0.65 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.44 2zjq n PHE 39 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 2zjq n VAL 40 N -0.62 1.16 -2.17 1.97 0.24 -1.25 0.38 118.33 118.05 2zjq n VAL 40 Ca 0.00 -4.71 -0.30 0.00 -2.04 0.00 0.00 64.34 57.29 2zjq n VAL 40 Cb 0.00 -2.04 -0.05 0.00 -1.47 0.00 0.00 33.84 30.28 2zjq n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2zjq s GLY 41 N -1.81 0.43 0.00 7.63 0.00 -1.25 -1.90 107.32 110.43 2zjq s GLY 41 Ca 0.36 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.38 2zjq s GLY 41 CO -0.07 3.31 0.00 0.61 0.00 0.00 0.00 173.10 176.94 2zjq n GLY 42 N 6.82 1.12 1.88 0.20 0.00 -1.26 -3.94 105.19 110.01 2zjq n GLY 42 Ca 0.39 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2zjq n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2zjq n GLU 43 N -1.83 0.00 -1.34 1.61 1.02 -0.80 -4.95 120.64 114.35 2zjq n GLU 43 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2zjq n GLU 43 Cb 0.03 -0.52 -0.08 0.00 -0.02 0.00 0.00 31.44 30.86 2zjq n GLU 43 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2zjq n GLN 44 N -2.00 0.09 -1.54 3.49 6.02 -1.25 -4.76 117.38 117.42 2zjq n GLN 44 Ca 0.00 -0.78 -0.35 0.00 -0.01 0.00 0.00 57.00 55.86 2zjq n GLN 44 Cb 0.00 -2.47 -0.06 0.00 1.02 0.00 0.00 30.24 28.74 2zjq n GLN 44 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2zjq n THR 45 N 6.91 -0.07 -4.23 5.09 -2.24 -1.26 -3.79 114.28 114.69 2zjq n THR 45 Ca 0.28 -0.64 -0.34 0.00 -2.27 0.00 0.00 64.05 61.08 2zjq n THR 45 Cb 0.45 -2.32 -0.15 0.00 -2.10 0.00 0.00 70.33 66.21 2zjq n THR 45 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2zjq s VAL 46 N 11.71 2.88 0.67 2.28 1.01 0.16 -4.98 120.40 134.13 2zjq s VAL 46 Ca 1.05 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 2zjq s VAL 46 Cb -0.37 -2.26 0.09 0.00 0.00 0.00 0.00 36.38 33.84 2zjq s VAL 46 CO 0.29 0.48 0.93 -0.36 0.00 0.00 0.00 175.10 176.45 2zjq s PHE 47 N 1.11 2.19 0.63 5.22 0.40 -1.26 -1.85 117.98 124.42 2zjq s PHE 47 Ca 0.00 -0.08 -0.12 0.00 -0.60 0.00 0.00 56.93 56.13 2zjq s PHE 47 Cb -0.14 -2.96 -0.11 0.00 0.51 0.00 0.00 43.02 40.32 2zjq s PHE 47 CO -0.03 -1.41 -0.47 0.41 0.70 0.00 0.00 175.22 174.42 2zjq n GLY 48 N -2.70 -3.11 4.97 4.36 0.00 -1.09 -0.63 105.19 107.00 2zjq n GLY 48 Ca 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2zjq n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2zjq n GLU 49 N 1.63 0.00 0.09 1.61 1.02 -1.26 -2.93 120.64 120.79 2zjq n GLU 49 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.20 2zjq n GLU 49 Cb 0.39 0.00 0.29 0.00 -0.02 0.00 0.00 31.44 32.10 2zjq n GLU 49 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2zjq n ASP 50 N 0.00 0.28 -0.02 1.62 2.03 -1.20 0.57 116.55 119.83 2zjq n ASP 50 Ca 0.00 0.61 -0.18 0.00 0.52 0.00 0.00 54.79 55.74 2zjq n ASP 50 Cb 0.00 -0.63 -0.14 0.00 -0.72 0.00 0.00 41.12 39.63 2zjq n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2zjq n ALA 51 N -1.61 1.11 -0.17 -1.67 0.00 0.20 -4.10 120.51 114.27 2zjq n ALA 51 Ca -0.01 -0.73 0.27 0.00 0.00 0.00 0.00 53.44 52.97 2zjq n ALA 51 Cb 0.06 -0.61 0.48 0.00 0.00 0.00 0.00 19.45 19.38 2zjq n ALA 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2zjq h GLY 52 N 1.84 0.00 0.02 0.00 0.00 -0.10 0.94 103.07 105.76 2zjq h GLY 52 Ca -0.43 0.00 0.05 0.00 0.00 0.00 0.00 47.33 46.95 2zjq h GLY 52 CO 0.06 0.00 -0.40 0.50 0.00 0.00 0.00 176.54 176.70 2zjq h LYS 53 N 0.00 -0.45 -7.24 4.80 1.57 -1.70 -3.42 116.57 110.14 2zjq h LYS 53 Ca 0.45 0.03 -0.45 0.00 -1.87 0.00 0.00 60.65 58.81 2zjq h LYS 53 Cb 2.67 0.10 0.08 0.00 0.08 0.00 0.00 32.23 35.16 2zjq h LYS 53 CO -0.00 -0.30 0.18 0.71 -0.57 0.00 0.00 179.45 179.47 2zjq s TYR 54 N -5.91 2.50 0.29 -1.35 1.51 0.32 -5.11 117.35 109.61 2zjq s TYR 54 Ca -0.15 0.20 -0.12 0.00 -1.01 0.00 0.00 57.07 55.99 2zjq s TYR 54 Cb 0.10 -3.18 0.01 0.00 -0.11 0.00 0.00 41.96 38.78 2zjq s TYR 54 CO 0.65 -1.51 0.56 0.95 -1.11 0.00 0.00 175.55 175.09 2zjq s THR 55 N -3.21 0.00 0.04 -0.71 -4.23 -1.26 -4.67 115.64 101.61 2zjq s THR 55 Ca 0.62 -1.33 0.09 0.00 -1.18 0.00 0.00 61.69 59.89 2zjq s THR 55 Cb -0.09 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 2zjq s THR 55 CO 0.44 0.00 -0.25 0.68 -0.54 0.00 0.00 174.62 174.95 2zjq s VAL 56 N -3.56 2.06 -0.05 2.29 -7.23 -0.19 -1.37 120.40 112.35 2zjq s VAL 56 Ca 0.21 -1.34 0.03 0.00 -1.81 0.00 0.00 61.98 59.08 2zjq s VAL 56 Cb -0.02 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 35.16 2zjq s VAL 56 CO 0.11 0.36 -0.15 -1.10 -0.31 0.00 0.00 175.10 174.01 2zjq s GLN 57 N -1.18 1.71 0.22 4.82 -0.21 -1.25 0.71 119.66 124.47 2zjq s GLN 57 Ca 0.11 -0.53 0.01 0.00 0.02 0.00 0.00 55.36 54.97 2zjq s GLN 57 Cb -0.10 -1.46 -0.05 0.00 1.00 0.00 0.00 33.01 32.41 2zjq s GLN 57 CO 0.02 0.16 0.09 0.00 -2.12 0.00 0.00 175.29 173.44 2zjq s ALA 58 N 0.24 1.43 -0.19 6.09 0.00 0.36 0.14 121.76 129.83 2zjq s ALA 58 Ca -0.07 -1.74 -0.01 0.00 0.00 0.00 0.00 51.96 50.14 2zjq s ALA 58 Cb -0.13 1.04 0.05 0.00 0.00 0.00 0.00 23.12 24.09 2zjq s ALA 58 CO 0.03 -0.47 -0.02 -1.21 0.00 0.00 0.00 175.76 174.09 2zjq s GLU 59 N -4.05 1.17 -0.39 0.00 2.02 -0.64 0.28 118.70 117.09 2zjq s GLU 59 Ca 0.35 -0.61 -0.36 0.00 0.02 0.00 0.00 54.97 54.37 2zjq s GLU 59 Cb 0.07 -2.19 -0.15 0.00 0.10 0.00 0.00 34.13 31.96 2zjq s GLU 59 CO 0.10 -0.56 1.47 0.28 0.02 0.00 0.00 175.26 176.57 2zjq n VAL 60 N 4.89 0.00 -0.08 2.63 0.31 -1.26 -2.35 118.33 122.47 2zjq n VAL 60 Ca -0.11 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.09 2zjq n VAL 60 Cb 0.46 -0.39 -0.08 0.00 -0.91 0.00 0.00 33.84 32.92 2zjq n VAL 60 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2zjq h VAL 61 N 4.70 0.74 -2.64 2.52 2.07 -0.81 -1.62 116.25 121.21 2zjq h VAL 61 Ca -0.21 -1.76 0.07 0.00 0.82 0.00 0.00 66.70 65.61 2zjq h VAL 61 Cb 1.10 1.60 -0.12 0.00 -1.52 0.00 0.00 31.29 32.35 2zjq h VAL 61 CO 0.81 0.25 0.36 -0.70 0.02 0.00 0.00 177.57 178.31 2zjq s GLU 62 N -2.20 1.15 -0.02 1.57 2.12 -1.07 -4.92 118.70 115.32 2zjq s GLU 62 Ca -0.20 -0.49 0.02 0.00 0.36 0.00 0.00 54.97 54.67 2zjq s GLU 62 Cb 0.02 0.49 -0.03 0.00 0.26 0.00 0.00 34.13 34.87 2zjq s GLU 62 CO 0.44 -0.51 -0.07 -1.01 -0.54 0.00 0.00 175.26 173.57 2zjq s HIS 63 N -3.47 2.91 0.10 5.30 3.76 -1.26 0.85 115.29 123.47 2zjq s HIS 63 Ca 0.05 -0.01 0.03 0.00 -0.15 0.00 0.00 55.06 54.98 2zjq s HIS 63 Cb -0.02 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 31.99 2zjq s HIS 63 CO -0.07 0.36 -0.09 0.20 -0.85 0.00 0.00 174.74 174.28 2zjq s GLY 64 N -1.19 0.81 -0.36 -2.22 0.00 0.36 -4.94 107.32 99.77 2zjq s GLY 64 Ca 0.15 -1.21 -0.09 0.00 0.00 0.00 0.00 44.72 43.58 2zjq s GLY 64 CO 0.05 -1.29 0.17 -1.60 0.00 0.00 0.00 173.10 170.44 2zjq s ARG 65 N -2.98 2.73 1.24 2.90 3.52 -1.26 0.18 118.95 125.28 2zjq s ARG 65 Ca 0.06 -1.14 -0.17 0.00 -0.13 0.00 0.00 55.73 54.35 2zjq s ARG 65 Cb -0.01 -3.63 0.27 0.00 -1.56 0.00 0.00 34.95 30.02 2zjq s ARG 65 CO -0.01 -0.70 0.70 0.41 -0.81 0.00 0.00 175.30 174.89 2zjq n GLY 66 N 4.92 -2.72 3.73 8.12 0.00 0.50 -4.92 105.19 114.82 2zjq n GLY 66 Ca -0.12 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 2zjq n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2zjq s LYS 67 N -4.27 4.42 0.36 1.61 2.47 -1.26 -4.66 119.74 118.41 2zjq s LYS 67 Ca 0.63 1.93 -0.26 0.00 -1.56 0.00 0.00 55.97 56.71 2zjq s LYS 67 Cb -0.18 -3.25 -0.12 0.00 -1.46 0.00 0.00 37.83 32.82 2zjq s LYS 67 CO 0.61 -0.22 1.00 1.17 0.16 0.00 0.00 175.35 178.06 2zjq n LYS 68 N 3.10 1.36 -3.43 4.03 3.00 -1.26 -4.71 118.16 120.25 2zjq n LYS 68 Ca 0.07 0.48 -0.17 0.00 -0.00 0.00 0.00 58.31 58.69 2zjq n LYS 68 Cb 0.44 -1.94 -0.11 0.00 0.00 0.00 0.00 35.03 33.42 2zjq n LYS 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2zjq s ILE 69 N -1.18 -0.39 0.03 3.15 1.01 0.19 -4.97 121.20 119.03 2zjq s ILE 69 Ca 0.61 -0.34 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 2zjq s ILE 69 Cb -0.62 -0.87 -0.06 0.00 0.01 0.00 0.00 42.46 40.91 2zjq s ILE 69 CO 0.59 -0.36 1.38 -0.31 0.00 0.00 0.00 174.94 176.24 2zjq s TYR 70 N 2.36 2.99 -0.36 3.97 1.51 -1.26 -3.37 117.35 123.19 2zjq s TYR 70 Ca 0.09 0.89 -0.16 0.00 -1.01 0.00 0.00 57.07 56.87 2zjq s TYR 70 Cb -0.15 -3.65 -0.00 0.00 -0.11 0.00 0.00 41.96 38.05 2zjq s TYR 70 CO -0.25 -2.34 0.42 0.42 -1.11 0.00 0.00 175.55 172.69 2zjq s ILE 71 N 2.00 5.11 0.12 2.71 1.01 0.50 -4.95 121.20 127.71 2zjq s ILE 71 Ca 0.64 0.03 0.10 0.00 0.00 0.00 0.00 60.65 61.42 2zjq s ILE 71 Cb -0.32 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2zjq s ILE 71 CO 0.28 -0.20 -0.23 -0.13 0.00 0.00 0.00 174.94 174.66 2zjq s ARG 72 N 2.14 1.59 0.13 2.79 0.52 -1.26 -2.07 118.95 122.79 2zjq s ARG 72 Ca 0.14 -1.26 0.01 0.00 -0.52 0.00 0.00 55.73 54.09 2zjq s ARG 72 Cb -0.16 -1.99 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 2zjq s ARG 72 CO 0.13 0.47 -0.01 0.15 0.02 0.00 0.00 175.30 176.06 2zjq s LYS 73 N -2.02 0.96 -0.30 3.54 1.02 -0.99 -5.00 119.74 116.95 2zjq s LYS 73 Ca 0.15 -1.44 -0.16 0.00 0.02 0.00 0.00 55.97 54.55 2zjq s LYS 73 Cb -0.10 -0.10 0.17 0.00 -0.52 0.00 0.00 37.83 37.28 2zjq s LYS 73 CO 0.07 -0.13 1.05 -0.47 -0.92 0.00 0.00 175.35 174.95 2zjq s TYR 74 N -3.76 -0.51 -0.12 3.18 5.04 -1.26 -2.85 117.35 117.07 2zjq s TYR 74 Ca 0.19 0.93 0.02 0.00 -2.44 0.00 0.00 57.07 55.78 2zjq s TYR 74 Cb 0.06 0.30 0.01 0.00 0.35 0.00 0.00 41.96 42.69 2zjq s TYR 74 CO 0.00 -0.25 -0.18 0.15 -1.34 0.00 0.00 175.55 173.93 2zjq s LYS 75 N 1.88 2.51 0.46 4.97 1.02 -1.22 -5.09 119.74 124.27 2zjq s LYS 75 Ca -0.05 -0.67 -0.13 0.00 0.02 0.00 0.00 55.97 55.15 2zjq s LYS 75 Cb -0.04 -2.10 -0.07 0.00 -0.52 0.00 0.00 37.83 35.10 2zjq s LYS 75 CO -0.16 -0.06 0.87 -1.54 -0.92 0.00 0.00 175.35 173.54 2zjq s SER 76 N 0.96 6.53 0.00 2.83 1.04 -1.26 -4.07 113.70 119.74 2zjq s SER 76 Ca -0.06 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.68 2zjq s SER 76 Cb -0.15 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2zjq s SER 76 CO -0.02 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2zjq n GLY 77 N -1.53 1.94 2.04 7.32 0.00 -1.26 -4.72 105.19 108.98 2zjq n GLY 77 Ca 0.04 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 2zjq n GLY 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2zjq n VAL 78 N 0.00 2.95 0.00 1.61 3.14 -1.26 -5.01 118.33 119.76 2zjq n VAL 78 Ca 0.00 -1.84 0.00 0.00 -2.96 0.00 0.00 64.34 59.54 2zjq n VAL 78 Cb 0.00 -0.80 0.00 0.00 -1.06 0.00 0.00 33.84 31.98 2zjq n VAL 78 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2zjq n GLN 79 N -0.69 0.00 -2.63 1.45 1.13 -1.26 -4.91 117.38 110.47 2zjq n GLN 79 Ca 0.49 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.50 2zjq n GLN 79 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 31.47 2zjq n GLN 79 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2zjq n TYR 80 N 14.00 -4.40 -3.94 1.08 4.19 -1.26 -4.32 117.16 122.51 2zjq n TYR 80 Ca 0.00 2.48 -0.21 0.00 3.31 0.00 0.00 57.90 63.49 2zjq n TYR 80 Cb 0.00 -3.91 -0.17 0.00 0.49 0.00 0.00 39.34 35.75 2zjq n TYR 80 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 2zjq s ARG 81 N -0.80 0.64 -0.29 2.98 0.52 -1.26 -3.41 118.95 117.33 2zjq s ARG 81 Ca -0.25 0.02 0.01 0.00 -0.52 0.00 0.00 55.73 55.00 2zjq s ARG 81 Cb 0.02 -0.85 0.09 0.00 0.52 0.00 0.00 34.95 34.73 2zjq s ARG 81 CO 0.79 -0.20 0.03 1.03 0.02 0.00 0.00 175.30 176.97 2zjq s ARG 82 N 1.43 1.29 -0.18 3.54 1.81 -1.13 -5.00 118.95 120.71 2zjq s ARG 82 Ca -0.03 -1.31 -0.09 0.00 -1.72 0.00 0.00 55.73 52.58 2zjq s ARG 82 Cb -0.13 -2.61 -0.05 0.00 -0.45 0.00 0.00 34.95 31.72 2zjq s ARG 82 CO -0.03 -0.83 0.11 0.50 -0.68 0.00 0.00 175.30 174.37 2zjq s ARG 83 N 1.30 3.97 -0.20 3.54 6.06 -1.26 -2.34 118.95 130.02 2zjq s ARG 83 Ca 0.05 -0.24 -0.09 0.00 -2.50 0.00 0.00 55.73 52.94 2zjq s ARG 83 Cb -0.18 -3.31 0.08 0.00 0.06 0.00 0.00 34.95 31.59 2zjq s ARG 83 CO -0.13 0.39 0.46 0.95 -2.50 0.00 0.00 175.30 174.47 2zjq s THR 84 N 0.08 -0.32 1.03 4.11 -4.23 -0.88 -5.02 115.64 110.42 2zjq s THR 84 Ca 0.08 0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.57 2zjq s THR 84 Cb -0.11 -0.69 0.21 0.00 1.34 0.00 0.00 72.50 73.24 2zjq s THR 84 CO -0.00 0.04 1.09 -0.83 -0.54 0.00 0.00 174.62 174.38 2zjq s GLY 85 N 1.98 1.56 0.00 3.99 0.00 -1.26 -0.37 107.32 113.22 2zjq s GLY 85 Ca -0.06 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.28 2zjq s GLY 85 CO -0.14 0.26 0.00 1.57 0.00 0.00 0.00 173.10 174.80 2zjq n HIS 86 N -4.29 0.00 0.00 1.90 -0.00 -1.22 -4.69 115.22 106.93 2zjq n HIS 86 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 2zjq n HIS 86 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.56 2zjq n HIS 86 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 2zjq n ARG 87 N -0.17 0.00 -2.87 1.57 1.85 -1.26 0.55 116.66 116.33 2zjq n ARG 87 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 2zjq n ARG 87 Cb 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.36 2zjq n ARG 87 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2zjq s GLN 88 N 0.00 3.94 0.19 2.89 0.74 -1.26 -4.66 119.66 121.50 2zjq s GLN 88 Ca 0.00 0.70 -0.05 0.00 0.05 0.00 0.00 55.36 56.06 2zjq s GLN 88 Cb 0.00 -2.33 -0.05 0.00 1.10 0.00 0.00 33.01 31.72 2zjq s GLN 88 CO 0.00 -0.01 0.44 -0.80 -0.55 0.00 0.00 175.29 174.37 2zjq s ASN 89 N -2.73 6.48 0.28 6.67 0.01 -1.26 0.19 114.94 124.59 2zjq s ASN 89 Ca 0.55 0.62 -0.07 0.00 -0.71 0.00 0.00 52.86 53.25 2zjq s ASN 89 Cb -0.10 -2.10 -0.01 0.00 0.41 0.00 0.00 41.25 39.45 2zjq s ASN 89 CO 0.24 -0.03 0.44 0.72 -1.51 0.00 0.00 177.10 176.96 2zjq s PHE 90 N -1.80 0.77 -0.13 2.20 -0.12 0.48 -4.07 117.98 115.30 2zjq s PHE 90 Ca 0.42 -1.06 -0.01 0.00 -0.05 0.00 0.00 56.93 56.23 2zjq s PHE 90 Cb -0.11 -0.02 0.03 0.00 -0.63 0.00 0.00 43.02 42.29 2zjq s PHE 90 CO 0.26 -1.02 -0.04 0.99 -0.05 0.00 0.00 175.22 175.36 2zjq s THR 91 N -3.59 0.89 0.19 -4.49 2.01 0.73 0.13 115.64 111.51 2zjq s THR 91 Ca 0.28 -0.36 -0.22 0.00 0.31 0.00 0.00 61.69 61.70 2zjq s THR 91 Cb 0.00 -1.04 -0.08 0.00 0.01 0.00 0.00 72.50 71.40 2zjq s THR 91 CO 0.14 0.21 0.73 0.00 -0.69 0.00 0.00 174.62 175.01 2zjq s ALA 92 N 1.74 3.44 -0.01 7.40 0.00 0.25 -2.30 121.76 132.28 2zjq s ALA 92 Ca 0.03 0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 2zjq s ALA 92 Cb -0.14 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2zjq s ALA 92 CO -0.07 0.32 0.07 0.96 0.00 0.00 0.00 175.76 177.04 2zjq s ILE 93 N -1.35 0.05 -0.33 0.00 -5.25 -0.82 -0.08 121.20 113.41 2zjq s ILE 93 Ca 0.39 -0.38 -0.15 0.00 -0.99 0.00 0.00 60.65 59.51 2zjq s ILE 93 Cb -0.19 -0.24 -0.01 0.00 2.95 0.00 0.00 42.46 44.97 2zjq s ILE 93 CO 0.23 -0.21 0.38 -0.75 -1.79 0.00 0.00 174.94 172.80 2zjq s LYS 94 N -0.66 3.62 0.58 0.37 2.20 -0.99 -2.00 119.74 122.87 2zjq s LYS 94 Ca -0.07 -0.33 -0.19 0.00 -0.36 0.00 0.00 55.97 55.01 2zjq s LYS 94 Cb -0.05 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 2zjq s LYS 94 CO 0.00 -0.51 1.22 0.42 -0.36 0.00 0.00 175.35 176.12 2zjq s ILE 95 N 2.07 2.59 0.00 5.43 -1.09 0.11 -1.63 121.20 128.69 2zjq s ILE 95 Ca 0.13 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 2zjq s ILE 95 Cb -0.16 -3.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 2zjq s ILE 95 CO 0.12 -0.07 0.00 -0.11 -1.23 0.00 0.00 174.94 173.65 2zjq n LEU 96 N -1.47 0.00 -4.23 2.97 7.94 -0.38 -3.88 117.00 117.96 2zjq n LEU 96 Ca 0.13 -0.02 -0.27 0.00 -1.11 0.00 0.00 56.01 54.73 2zjq n LEU 96 Cb 0.49 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.66 2zjq n LEU 96 CO 0.45 0.14 0.04 0.61 -1.11 0.00 0.00 177.39 177.52 2zjq n GLY 97 N 0.00 -2.79 0.00 -3.96 0.00 0.12 -4.71 105.19 93.86 2zjq n GLY 97 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2zjq n GLY 97 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71