#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zjq s GLN 3 N 0.00 3.55 0.22 0.00 2.00 -1.26 -4.20 119.66 119.97 2zjq s GLN 3 Ca 0.00 -0.55 -0.32 0.00 -2.00 0.00 0.00 55.36 52.49 2zjq s GLN 3 Cb 0.00 -3.06 -0.13 0.00 0.80 0.00 0.00 33.01 30.62 2zjq s GLN 3 CO 0.00 -0.05 1.53 0.44 -0.50 0.00 0.00 175.29 176.71 2zjq n ILE 4 N 4.40 0.54 -1.04 -2.34 -5.35 -1.26 -3.83 119.36 110.48 2zjq n ILE 4 Ca -0.17 -0.14 -0.30 0.00 -0.27 0.00 0.00 62.75 61.87 2zjq n ILE 4 Cb 0.52 -1.62 0.25 0.00 -1.74 0.00 0.00 39.64 37.04 2zjq n ILE 4 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2zjq s ASN 5 N 0.62 0.72 0.00 7.28 0.02 -1.25 -4.74 114.94 117.59 2zjq s ASN 5 Ca 0.72 0.62 0.00 0.00 -1.02 0.00 0.00 52.86 53.18 2zjq s ASN 5 Cb -0.62 -0.85 0.00 0.00 0.02 0.00 0.00 41.25 39.80 2zjq s ASN 5 CO 0.44 -4.24 0.00 0.52 0.02 0.00 0.00 177.10 173.83 2zjq n VAL 6 N -4.84 0.00 -4.22 1.60 0.31 -1.26 -4.72 118.33 105.20 2zjq n VAL 6 Ca 0.14 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.23 2zjq n VAL 6 Cb 0.60 -0.45 -0.06 0.00 -0.91 0.00 0.00 33.84 33.01 2zjq n VAL 6 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2zjq s ILE 7 N -1.56 3.83 -0.08 2.52 -1.09 -1.26 -4.78 121.20 118.78 2zjq s ILE 7 Ca 0.00 -1.62 -0.00 0.00 -2.23 0.00 0.00 60.65 56.80 2zjq s ILE 7 Cb 0.00 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 2zjq s ILE 7 CO 0.00 -0.29 0.01 0.61 -1.23 0.00 0.00 174.94 174.03 2zjq n GLY 8 N -0.76 -0.01 0.00 6.18 0.00 -1.25 -4.25 105.19 105.09 2zjq n GLY 8 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 GLN 9 N -1.06 0.00 -0.05 1.61 10.64 -1.26 -5.00 117.38 122.26 2zjq n GLN 9 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 2zjq n GLN 9 Cb 0.03 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.41 2zjq n GLN 9 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2zjq n ASN 10 N 0.00 0.00 0.00 2.61 2.85 -1.26 -4.43 115.26 115.03 2zjq n ASN 10 Ca 0.00 -0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 2zjq n ASN 10 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2zjq n ASN 10 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2zjq n GLY 11 N 0.00 -0.85 0.00 8.20 0.00 -1.26 -3.88 105.19 107.40 2zjq n GLY 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2zjq n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zjq n GLY 12 N 0.00 0.91 0.72 -0.02 0.00 -1.25 -4.45 105.19 101.10 2zjq n GLY 12 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2zjq n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zjq n ARG 13 N 0.00 0.00 -1.04 1.61 3.00 -1.26 -4.46 116.66 114.51 2zjq n ARG 13 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.49 2zjq n ARG 13 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.48 2zjq n ARG 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2zjq n THR 14 N 0.00 0.00 -0.39 0.55 -1.04 -1.26 -3.79 114.28 108.34 2zjq n THR 14 Ca 0.00 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 2zjq n THR 14 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2zjq n THR 14 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2zjq n ILE 15 N -1.88 -1.13 -2.77 12.58 5.41 -1.26 -4.18 119.36 126.12 2zjq n ILE 15 Ca 0.02 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.36 2zjq n ILE 15 Cb 0.48 -1.35 -0.03 0.00 -0.71 0.00 0.00 39.64 38.02 2zjq n ILE 15 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2zjq s GLU 16 N -2.44 4.48 -0.13 0.38 2.02 -1.26 -4.54 118.70 117.21 2zjq s GLU 16 Ca 0.00 1.29 -0.07 0.00 0.02 0.00 0.00 54.97 56.21 2zjq s GLU 16 Cb 0.00 -3.49 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 2zjq s GLU 16 CO 0.00 -0.13 0.12 -0.51 0.02 0.00 0.00 175.26 174.77 2zjq s LEU 17 N 1.34 4.28 0.25 1.80 1.02 -1.26 -5.07 118.68 121.04 2zjq s LEU 17 Ca 0.47 0.39 -0.30 0.00 0.02 0.00 0.00 54.13 54.72 2zjq s LEU 17 Cb -0.19 -2.05 -0.14 0.00 0.02 0.00 0.00 46.19 43.83 2zjq s LEU 17 CO 0.22 0.36 1.22 -2.65 0.02 0.00 0.00 176.35 175.52 2zjq n PRO 18 N 2.29 1.65 -3.94 1.29 -0.02 -1.26 -5.02 135.00 129.99 2zjq n PRO 18 Ca -0.19 0.58 -0.21 0.00 -2.02 0.00 0.00 63.50 61.66 2zjq n PRO 18 Cb 0.54 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 2zjq n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2zjq s LEU 19 N 0.15 3.74 -0.03 2.45 1.43 -1.26 -3.56 118.68 121.60 2zjq s LEU 19 Ca 0.65 -0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 53.15 2zjq s LEU 19 Cb -0.70 -2.32 -0.21 0.00 0.03 0.00 0.00 46.19 42.99 2zjq s LEU 19 CO 0.55 -0.20 1.17 1.55 0.23 0.00 0.00 176.35 179.65 2zjq h PRO 20 N 1.34 0.10 -1.30 1.29 0.13 -2.05 -3.42 132.00 128.10 2zjq h PRO 20 Ca -0.47 -0.07 -0.43 0.00 -0.87 0.00 0.00 66.00 64.16 2zjq h PRO 20 Cb 1.25 0.01 -0.29 0.00 0.13 0.00 0.00 31.00 32.09 2zjq h PRO 20 CO 0.59 0.69 -0.86 0.39 -0.23 0.00 0.00 178.00 178.58 2zjq n GLU 21 N -4.69 0.69 -1.36 0.86 1.02 -1.26 -5.13 120.64 110.77 2zjq n GLU 21 Ca -0.08 -2.66 0.18 0.00 -0.02 0.00 0.00 57.16 54.57 2zjq n GLU 21 Cb 0.35 -1.34 -0.06 0.00 -0.02 0.00 0.00 31.44 30.38 2zjq n GLU 21 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2zjq n VAL 22 N 1.65 0.00 -3.10 2.62 0.31 -1.23 -4.95 118.33 113.63 2zjq n VAL 22 Ca 0.17 0.27 0.04 0.00 -0.01 0.00 0.00 64.34 64.81 2zjq n VAL 22 Cb 0.56 -0.73 -0.00 0.00 -0.91 0.00 0.00 33.84 32.76 2zjq n VAL 22 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2zjq s ASN 23 N -6.99 -0.95 0.28 4.52 3.84 -1.26 -4.99 114.94 109.39 2zjq s ASN 23 Ca 0.00 -0.05 -0.03 0.00 0.21 0.00 0.00 52.86 53.00 2zjq s ASN 23 Cb 0.00 1.49 0.60 0.00 -0.55 0.00 0.00 41.25 42.79 2zjq s ASN 23 CO 0.00 -0.16 1.60 0.77 -2.79 0.00 0.00 177.10 176.52 2zjq h SER 24 N 7.20 -0.47 -0.97 -4.21 4.64 -1.96 0.83 113.55 118.61 2zjq h SER 24 Ca -0.04 0.25 0.27 0.00 -0.47 0.00 0.00 61.79 61.80 2zjq h SER 24 Cb 1.19 0.44 -0.18 0.00 -0.31 0.00 0.00 62.40 63.54 2zjq h SER 24 CO 0.01 -0.28 0.05 1.23 -0.87 0.00 0.00 176.83 176.98 2zjq h GLY 25 N 0.05 1.27 1.78 -0.77 0.00 -1.98 3.51 103.07 106.93 2zjq h GLY 25 Ca 0.51 0.14 -0.23 0.00 0.00 0.00 0.00 47.33 47.75 2zjq h GLY 25 CO -0.83 -0.51 -1.15 -2.08 0.00 0.00 0.00 176.54 171.97 2zjq h VAL 26 N 0.02 1.54 0.00 4.60 2.07 0.22 -0.81 116.25 123.89 2zjq h VAL 26 Ca 0.60 -3.26 -0.05 0.00 0.82 0.00 0.00 66.70 64.81 2zjq h VAL 26 Cb 1.24 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.78 2zjq h VAL 26 CO -0.89 0.88 -0.22 -0.07 0.02 0.00 0.00 177.57 177.29 2zjq h LEU 27 N 0.01 0.00 0.42 2.57 4.07 0.15 -1.82 115.31 120.70 2zjq h LEU 27 Ca -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 2zjq h LEU 27 Cb 1.83 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.57 2zjq h LEU 27 CO 0.13 0.22 -0.20 -0.74 -1.08 0.00 0.00 178.44 176.76 2zjq h HIS 28 N 0.00 -0.52 -0.87 1.13 2.76 0.63 -2.88 115.15 115.40 2zjq h HIS 28 Ca -0.00 -0.01 0.36 0.00 -2.20 0.00 0.00 60.37 58.52 2zjq h HIS 28 Cb 0.93 0.17 -0.16 0.00 1.55 0.00 0.00 27.41 29.91 2zjq h HIS 28 CO 0.00 -0.29 0.46 -1.91 -1.30 0.00 0.00 177.93 174.88 2zjq n GLU 29 N -5.15 -0.05 0.00 5.26 2.13 -0.32 -3.10 120.64 119.41 2zjq n GLU 29 Ca -0.08 1.21 0.00 0.00 0.66 0.00 0.00 57.16 58.95 2zjq n GLU 29 Cb 0.24 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 29.79 2zjq n GLU 29 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2zjq n VAL 30 N -4.98 0.00 0.00 6.31 0.31 -0.70 -3.62 118.33 115.65 2zjq n VAL 30 Ca 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 2zjq n VAL 30 Cb 1.11 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.86 2zjq n VAL 30 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2zjq n VAL 31 N 0.00 0.00 -0.20 2.52 0.24 -1.13 0.20 118.33 119.96 2zjq n VAL 31 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 2zjq n VAL 31 Cb 0.00 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2zjq n VAL 31 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2zjq n THR 32 N 0.00 -0.29 -0.18 3.34 -1.04 -1.18 0.33 114.28 115.27 2zjq n THR 32 Ca 0.00 1.17 -0.12 0.00 -2.04 0.00 0.00 64.05 63.06 2zjq n THR 32 Cb 0.00 -1.51 -0.09 0.00 -1.82 0.00 0.00 70.33 66.91 2zjq n THR 32 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 2zjq h TRP 33 N 0.00 -1.63 0.00 -1.42 7.01 0.22 0.20 115.95 120.32 2zjq h TRP 33 Ca 0.14 0.09 0.00 0.00 2.11 0.00 0.00 58.89 61.23 2zjq h TRP 33 Cb 0.26 0.78 0.00 0.00 -2.10 0.00 0.00 29.16 28.10 2zjq h TRP 33 CO -0.46 -0.47 0.00 1.04 -2.79 0.00 0.00 178.44 175.76 2zjq n GLN 34 N -5.37 0.00 -0.41 2.65 6.02 1.01 -0.95 117.38 120.33 2zjq n GLN 34 Ca -0.02 0.59 -0.11 0.00 -0.01 0.00 0.00 57.00 57.46 2zjq n GLN 34 Cb 0.34 -1.33 -0.10 0.00 1.02 0.00 0.00 30.24 30.17 2zjq n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2zjq n LEU 35 N -1.92 -1.04 -0.28 1.08 4.77 -0.87 0.23 117.00 118.98 2zjq n LEU 35 Ca 0.00 1.74 0.25 0.00 -0.03 0.00 0.00 56.01 57.97 2zjq n LEU 35 Cb 0.00 -0.23 0.47 0.00 -2.33 0.00 0.00 43.42 41.34 2zjq n LEU 35 CO 0.00 -1.42 0.89 0.00 -1.33 0.00 0.00 177.39 175.53 2zjq n ALA 36 N -3.27 0.82 0.05 -1.18 0.00 0.68 0.32 120.51 117.94 2zjq n ALA 36 Ca 0.02 0.90 -0.21 0.00 0.00 0.00 0.00 53.44 54.15 2zjq n ALA 36 Cb 0.25 -0.86 -0.11 0.00 0.00 0.00 0.00 19.45 18.74 2zjq n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2zjq h SER 37 N 0.00 0.90 0.65 0.00 4.64 0.48 -3.11 113.55 117.11 2zjq h SER 37 Ca 0.71 -0.76 -0.10 0.00 -0.47 0.00 0.00 61.79 61.16 2zjq h SER 37 Cb 1.82 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 63.62 2zjq h SER 37 CO -0.70 1.55 -0.48 0.03 -0.87 0.00 0.00 176.83 176.36 2zjq h ARG 38 N 0.34 0.00 -6.34 4.77 3.08 0.59 -3.43 114.38 113.40 2zjq h ARG 38 Ca -0.15 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.32 2zjq h ARG 38 Cb 1.75 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.83 2zjq h ARG 38 CO 0.21 0.48 1.11 -2.13 -1.07 0.00 0.00 179.97 178.57 2zjq n ARG 39 N -3.75 2.42 -2.02 0.04 0.63 0.96 -4.94 116.66 109.99 2zjq n ARG 39 Ca -0.01 0.88 -0.25 0.00 -0.92 0.00 0.00 57.85 57.55 2zjq n ARG 39 Cb 0.54 -2.76 0.16 0.00 0.45 0.00 0.00 32.46 30.85 2zjq n ARG 39 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2zjq n ARG 40 N 6.46 -0.79 -3.55 -0.14 0.63 -1.26 -4.86 116.66 113.15 2zjq n ARG 40 Ca 0.21 -2.16 -0.27 0.00 -0.92 0.00 0.00 57.85 54.71 2zjq n ARG 40 Cb 0.33 -1.04 -0.11 0.00 0.45 0.00 0.00 32.46 32.10 2zjq n ARG 40 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2zjq n GLY 41 N -2.78 2.76 3.14 5.14 0.00 -1.26 -4.90 105.19 107.29 2zjq n GLY 41 Ca 0.16 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 2zjq n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2zjq s THR 42 N -0.47 3.51 -0.65 2.61 -4.23 -1.26 -3.47 115.64 111.66 2zjq s THR 42 Ca 0.31 -2.07 0.05 0.00 -1.18 0.00 0.00 61.69 58.79 2zjq s THR 42 Cb 0.02 -3.38 0.28 0.00 1.34 0.00 0.00 72.50 70.77 2zjq s THR 42 CO -0.19 -0.72 0.88 0.00 -0.54 0.00 0.00 174.62 174.05 2zjq n ALA 43 N 4.57 4.38 -1.57 3.99 0.00 -1.26 -4.94 120.51 125.68 2zjq n ALA 43 Ca -0.02 -4.75 -0.45 0.00 0.00 0.00 0.00 53.44 48.22 2zjq n ALA 43 Cb 0.41 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 2zjq n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2zjq n SER 44 N 0.49 3.04 -3.53 0.00 2.88 -1.26 -3.93 113.62 111.31 2zjq n SER 44 Ca 0.31 0.24 -0.00 0.00 -1.33 0.00 0.00 58.87 58.08 2zjq n SER 44 Cb 0.40 -1.50 -0.05 0.00 -0.75 0.00 0.00 64.21 62.30 2zjq n SER 44 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2zjq s THR 45 N 8.13 -0.27 0.00 2.46 2.01 -1.26 -4.92 115.64 121.80 2zjq s THR 45 Ca 1.03 0.00 0.00 0.00 0.31 0.00 0.00 61.69 63.03 2zjq s THR 45 Cb -0.44 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.07 2zjq s THR 45 CO 0.38 0.00 1.39 0.54 -0.69 0.00 0.00 174.62 176.24 2zjq n ARG 46 N 4.35 0.91 0.00 4.92 5.12 -1.26 -4.64 116.66 126.06 2zjq n ARG 46 Ca -0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 2zjq n ARG 46 Cb 0.55 -1.05 0.00 0.00 -1.16 0.00 0.00 32.46 30.80 2zjq n ARG 46 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2zjq n THR 47 N 1.08 0.00 -1.70 0.55 -1.04 -1.26 -3.74 114.28 108.17 2zjq n THR 47 Ca 0.00 0.00 -0.56 0.00 -2.04 0.00 0.00 64.05 61.45 2zjq n THR 47 Cb 0.45 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.90 2zjq n THR 47 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2zjq n ARG 48 N -2.25 1.36 0.00 -2.82 3.00 -1.26 -2.03 116.66 112.66 2zjq n ARG 48 Ca 0.00 0.50 0.01 0.00 -0.01 0.00 0.00 57.85 58.34 2zjq n ARG 48 Cb 0.00 -2.22 0.04 0.00 0.00 0.00 0.00 32.46 30.28 2zjq n ARG 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2zjq n ALA 49 N 5.77 1.49 -0.02 7.54 0.00 -1.26 -0.48 120.51 133.55 2zjq n ALA 49 Ca 0.26 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.71 2zjq n ALA 49 Cb 0.16 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 2zjq n ALA 49 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2zjq n GLN 50 N -1.07 0.98 0.12 0.00 7.27 -1.26 -4.50 117.38 118.92 2zjq n GLN 50 Ca 0.01 -0.07 0.12 0.00 0.07 0.00 0.00 57.00 57.14 2zjq n GLN 50 Cb 0.01 -1.25 0.45 0.00 2.41 0.00 0.00 30.24 31.86 2zjq n GLN 50 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 2zjq n VAL 51 N -2.02 0.72 -3.55 1.69 0.24 0.37 -4.79 118.33 110.98 2zjq n VAL 51 Ca -0.06 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.34 61.89 2zjq n VAL 51 Cb 0.45 -0.90 -0.05 0.00 -1.47 0.00 0.00 33.84 31.87 2zjq n VAL 51 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2zjq s SER 52 N -4.39 6.63 0.01 -1.34 1.04 -1.23 -5.04 113.70 109.38 2zjq s SER 52 Ca 0.07 0.80 -0.30 0.00 0.48 0.00 0.00 55.95 57.00 2zjq s SER 52 Cb 0.11 -2.18 -0.05 0.00 0.10 0.00 0.00 66.02 64.00 2zjq s SER 52 CO 0.49 0.10 1.31 -0.54 0.98 0.00 0.00 173.24 175.58 2zjq s LYS 53 N -2.22 4.33 -0.28 4.02 -0.14 -1.26 -5.00 119.74 119.19 2zjq s LYS 53 Ca 0.37 1.87 -0.29 0.00 -1.36 0.00 0.00 55.97 56.56 2zjq s LYS 53 Cb -0.13 -3.48 0.19 0.00 -1.68 0.00 0.00 37.83 32.72 2zjq s LYS 53 CO 0.20 -0.46 1.35 0.99 -0.76 0.00 0.00 175.35 176.67 2zjq s THR 54 N 1.93 0.00 0.00 2.17 2.01 -1.26 -4.94 115.64 115.55 2zjq s THR 54 Ca 0.61 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.61 2zjq s THR 54 Cb -0.30 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.21 2zjq s THR 54 CO 0.26 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 2zjq n GLY 55 N 0.61 -2.02 0.00 4.40 0.00 -1.26 -5.04 105.19 101.88 2zjq n GLY 55 Ca -0.01 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2zjq n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zjq n ARG 56 N 0.00 0.64 -4.17 1.61 5.12 -1.26 -4.85 116.66 113.74 2zjq n ARG 56 Ca 0.00 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.65 2zjq n ARG 56 Cb 0.00 -0.58 -0.07 0.00 -1.16 0.00 0.00 32.46 30.64 2zjq n ARG 56 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2zjq s LYS 57 N -1.16 2.49 0.00 5.56 1.02 -1.26 -4.39 119.74 122.00 2zjq s LYS 57 Ca 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 54.96 2zjq s LYS 57 Cb 0.00 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 2zjq s LYS 57 CO 0.00 0.47 0.00 -0.12 -0.92 0.00 0.00 175.35 174.78 2zjq n MET 58 N -0.02 0.00 0.00 1.68 1.56 -1.19 -4.91 117.12 114.24 2zjq n MET 58 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.33 2zjq n MET 58 Cb 0.54 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.91 2zjq n MET 58 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2zjq n TYR 59 N -1.34 0.00 -3.94 1.12 4.02 -1.26 -5.13 117.16 110.63 2zjq n TYR 59 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.61 2zjq n TYR 59 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.15 2zjq n TYR 59 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2zjq s GLY 60 N 0.00 0.99 0.45 2.72 0.00 -1.26 -4.98 107.32 105.24 2zjq s GLY 60 Ca 0.00 -0.80 0.33 0.00 0.00 0.00 0.00 44.72 44.25 2zjq s GLY 60 CO 0.00 0.77 1.58 -1.61 0.00 0.00 0.00 173.10 173.84 2zjq h GLN 61 N 8.10 0.00 -3.21 2.90 5.75 -2.00 -3.41 115.11 123.24 2zjq h GLN 61 Ca -0.30 -0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.13 2zjq h GLN 61 Cb 1.12 -0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.52 2zjq h GLN 61 CO 0.44 0.00 -0.11 0.21 -2.65 0.00 0.00 178.83 176.73 2zjq s LYS 62 N -5.25 0.97 -0.60 1.69 2.36 -1.26 -4.74 119.74 112.92 2zjq s LYS 62 Ca -0.07 -0.53 0.00 0.00 -2.55 0.00 0.00 55.97 52.82 2zjq s LYS 62 Cb 0.31 0.43 0.00 0.00 -1.05 0.00 0.00 37.83 37.52 2zjq s LYS 62 CO 0.83 -0.35 0.00 0.41 1.55 0.00 0.00 175.35 177.79 2zjq n GLY 63 N 0.19 0.81 0.10 5.54 0.00 -1.26 -4.90 105.19 105.67 2zjq n GLY 63 Ca -0.17 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 2zjq n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2zjq n THR 64 N -2.81 1.59 0.00 2.61 -2.24 -1.26 -5.03 114.28 107.14 2zjq n THR 64 Ca -0.06 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 2zjq n THR 64 Cb 0.20 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 2zjq n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2zjq n GLY 65 N 1.70 0.85 2.38 3.38 0.00 -1.26 -5.05 105.19 107.18 2zjq n GLY 65 Ca -0.24 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.10 2zjq n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2zjq n ASN 66 N 0.00 -5.99 0.00 1.61 3.02 -1.26 -5.02 115.26 107.62 2zjq n ASN 66 Ca 0.00 1.57 0.00 0.00 -0.03 0.00 0.00 54.58 56.12 2zjq n ASN 66 Cb 0.00 -4.29 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 2zjq n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2zjq n ALA 67 N 1.91 0.00 -0.44 5.41 0.00 -1.26 -5.10 120.51 121.02 2zjq n ALA 67 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2zjq n ALA 67 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 2zjq n ALA 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2zjq n ARG 68 N 0.00 0.00 -4.13 0.00 0.63 -1.26 -5.13 116.66 106.77 2zjq n ARG 68 Ca 0.00 0.15 -0.16 0.00 -0.92 0.00 0.00 57.85 56.92 2zjq n ARG 68 Cb 0.00 -0.42 -0.12 0.00 0.45 0.00 0.00 32.46 32.37 2zjq n ARG 68 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2zjq s HIS 69 N -0.25 0.92 0.00 -0.14 3.76 -1.26 -5.10 115.29 113.22 2zjq s HIS 69 Ca 0.00 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 2zjq s HIS 69 Cb 0.00 -0.53 0.00 0.00 1.11 0.00 0.00 32.58 33.16 2zjq s HIS 69 CO 0.00 -0.02 0.00 0.41 -0.85 0.00 0.00 174.74 174.28 2zjq n GLY 70 N 1.46 -0.25 0.82 -2.22 0.00 -1.26 -4.52 105.19 99.21 2zjq n GLY 70 Ca -0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 2zjq n GLY 70 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2zjq n ASP 71 N -1.90 2.28 -0.68 1.61 9.92 -1.26 -3.14 116.55 123.37 2zjq n ASP 71 Ca 0.00 -1.50 0.04 0.00 -0.53 0.00 0.00 54.79 52.80 2zjq n ASP 71 Cb 0.00 0.08 0.20 0.00 -0.64 0.00 0.00 41.12 40.76 2zjq n ASP 71 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2zjq n ARG 72 N -0.31 1.66 -2.60 -1.24 0.63 -1.26 -4.69 116.66 108.85 2zjq n ARG 72 Ca -0.05 -3.17 -0.23 0.00 -0.92 0.00 0.00 57.85 53.49 2zjq n ARG 72 Cb 0.14 -1.66 0.00 0.00 0.45 0.00 0.00 32.46 31.39 2zjq n ARG 72 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2zjq n SER 73 N -1.14 3.80 -4.09 6.15 3.41 -1.26 -4.32 113.62 116.17 2zjq n SER 73 Ca 0.22 -3.46 -0.11 0.00 -0.26 0.00 0.00 58.87 55.26 2zjq n SER 73 Cb 0.78 -0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 64.13 2zjq n SER 73 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2zjq s VAL 74 N -4.75 0.50 0.07 -3.33 -7.23 -1.26 -3.81 120.40 100.58 2zjq s VAL 74 Ca 0.43 -1.38 -0.06 0.00 -1.81 0.00 0.00 61.98 59.16 2zjq s VAL 74 Cb 0.40 -0.97 0.06 0.00 0.56 0.00 0.00 36.38 36.42 2zjq s VAL 74 CO -0.13 -0.60 0.47 -2.65 -0.31 0.00 0.00 175.10 171.88 2zjq n PRO 75 N 0.91 -0.08 0.00 4.82 -0.02 -1.25 0.21 135.00 139.59 2zjq n PRO 75 Ca -0.19 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2zjq n PRO 75 Cb 0.57 -0.69 0.00 0.00 -0.02 0.00 0.00 33.50 33.36 2zjq n PRO 75 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2zjq n THR 76 N -4.44 0.25 -3.87 3.45 -2.24 -1.26 -4.69 114.28 101.47 2zjq n THR 76 Ca 0.03 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.51 2zjq n THR 76 Cb 0.11 -0.62 -0.16 0.00 -2.10 0.00 0.00 70.33 67.57 2zjq n THR 76 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2zjq s PHE 77 N -0.74 2.05 -0.37 4.78 0.40 0.56 -5.06 117.98 119.58 2zjq s PHE 77 Ca 0.00 -1.59 -0.40 0.00 -0.60 0.00 0.00 56.93 54.34 2zjq s PHE 77 Cb 0.00 -1.51 -0.15 0.00 0.51 0.00 0.00 43.02 41.86 2zjq s PHE 77 CO 0.00 -0.75 1.96 0.28 0.70 0.00 0.00 175.22 177.41 2zjq n VAL 78 N 4.76 0.17 0.00 -0.44 0.31 -1.26 0.10 118.33 121.98 2zjq n VAL 78 Ca -0.10 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2zjq n VAL 78 Cb 0.44 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 2zjq n VAL 78 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2zjq n GLY 79 N 5.68 0.91 0.00 2.92 0.00 -1.26 -5.05 105.19 108.39 2zjq n GLY 79 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2zjq n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zjq n GLY 80 N -0.77 1.39 3.90 -0.02 0.00 0.29 -4.92 105.19 105.06 2zjq n GLY 80 Ca 0.00 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 2zjq n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2zjq s GLY 81 N -0.35 1.63 -0.75 -0.02 0.00 -1.25 -4.86 107.32 101.72 2zjq s GLY 81 Ca 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 44.72 43.91 2zjq s GLY 81 CO 0.00 -0.21 0.61 0.14 0.00 0.00 0.00 173.10 173.64 2zjq s VAL 82 N -3.63 4.22 0.47 1.40 1.01 -0.86 -3.74 120.40 119.27 2zjq s VAL 82 Ca 0.65 -3.23 -0.21 0.00 0.00 0.00 0.00 61.98 59.19 2zjq s VAL 82 Cb -0.10 -3.68 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 2zjq s VAL 82 CO 0.50 -0.98 0.56 0.00 0.00 0.00 0.00 175.10 175.18 2zjq n ALA 83 N 3.13 -1.30 -4.12 5.51 0.00 -1.26 -1.93 120.51 120.54 2zjq n ALA 83 Ca 0.14 0.11 -0.40 0.00 0.00 0.00 0.00 53.44 53.28 2zjq n ALA 83 Cb 0.39 -1.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.02 2zjq n ALA 83 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2zjq n PHE 84 N -1.09 -1.39 -2.37 0.00 0.99 -1.26 -4.95 117.46 107.38 2zjq n PHE 84 Ca 0.11 0.28 -0.06 0.00 -0.00 0.00 0.00 57.45 57.78 2zjq n PHE 84 Cb 0.42 -2.87 0.03 0.00 -1.00 0.00 0.00 39.48 36.06 2zjq n PHE 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2zjq n GLY 85 N -2.21 0.79 3.79 1.37 0.00 -0.81 -5.07 105.19 103.03 2zjq n GLY 85 Ca -0.18 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.49 2zjq n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2zjq s PRO 86 N -3.12 3.67 0.31 1.61 0.04 -1.26 -4.99 135.00 131.26 2zjq s PRO 86 Ca 0.18 -0.21 0.08 0.00 0.04 0.00 0.00 61.00 61.09 2zjq s PRO 86 Cb -0.01 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.25 2zjq s PRO 86 CO 0.12 0.58 -0.08 0.15 0.04 0.00 0.00 177.00 177.81 2zjq s LYS 87 N -0.46 1.68 0.51 4.56 -0.14 -1.25 -4.02 119.74 120.62 2zjq s LYS 87 Ca 0.11 -1.86 -0.22 0.00 -1.36 0.00 0.00 55.97 52.64 2zjq s LYS 87 Cb -0.12 -1.43 -0.07 0.00 -1.68 0.00 0.00 37.83 34.54 2zjq s LYS 87 CO 0.02 0.09 1.21 -2.30 -0.76 0.00 0.00 175.35 173.61 2zjq n PRO 88 N -0.68 1.54 0.00 -1.68 -0.02 -1.26 -4.43 135.00 128.46 2zjq n PRO 88 Ca -0.05 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2zjq n PRO 88 Cb 0.63 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2zjq n PRO 88 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2zjq n ARG 89 N -0.60 0.00 0.00 -0.52 1.85 -1.23 -4.97 116.66 111.19 2zjq n ARG 89 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 2zjq n ARG 89 Cb 0.43 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.84 2zjq n ARG 89 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2zjq n SER 90 N 0.00 0.00 -3.72 2.89 2.88 -1.26 -4.23 113.62 110.18 2zjq n SER 90 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2zjq n SER 90 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2zjq n SER 90 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2zjq n TYR 91 N -0.42 -0.73 -3.93 0.66 9.36 -1.26 -4.82 117.16 116.02 2zjq n TYR 91 Ca 0.00 0.19 -0.29 0.00 3.32 0.00 0.00 57.90 61.11 2zjq n TYR 91 Cb 0.00 -1.55 -0.16 0.00 -0.63 0.00 0.00 39.34 37.00 2zjq n TYR 91 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2zjq s ASP 92 N -3.97 3.22 0.10 2.98 3.68 -1.26 -4.06 116.67 117.36 2zjq s ASP 92 Ca 0.14 -0.84 0.09 0.00 2.13 0.00 0.00 52.55 54.06 2zjq s ASP 92 Cb -0.08 -1.06 -0.03 0.00 -1.45 0.00 0.00 42.92 40.30 2zjq s ASP 92 CO 0.55 -0.19 -0.23 -0.72 0.13 0.00 0.00 175.17 174.72 2zjq s TYR 93 N 1.52 1.97 -0.70 -5.34 -0.85 -1.26 -5.06 117.35 107.63 2zjq s TYR 93 Ca -0.01 -0.40 -0.22 0.00 -0.52 0.00 0.00 57.07 55.91 2zjq s TYR 93 Cb -0.16 -1.09 0.07 0.00 0.38 0.00 0.00 41.96 41.16 2zjq s TYR 93 CO -0.08 0.23 1.01 0.95 -1.52 0.00 0.00 175.55 176.14 2zjq s THR 94 N -1.07 4.32 -0.09 -3.49 -4.23 -1.26 -4.96 115.64 104.87 2zjq s THR 94 Ca 0.09 -0.46 -0.30 0.00 -1.18 0.00 0.00 61.69 59.84 2zjq s THR 94 Cb -0.10 -4.72 -0.04 0.00 1.34 0.00 0.00 72.50 68.99 2zjq s THR 94 CO 0.04 -1.50 1.41 -0.22 -0.54 0.00 0.00 174.62 173.81 2zjq s LEU 95 N 4.03 4.26 0.06 4.79 0.20 -1.26 -4.89 118.68 125.88 2zjq s LEU 95 Ca 0.24 1.96 -0.17 0.00 0.69 0.00 0.00 54.13 56.86 2zjq s LEU 95 Cb -0.15 -3.54 -0.09 0.00 -0.43 0.00 0.00 46.19 41.98 2zjq s LEU 95 CO 0.08 -0.79 0.37 -2.65 -0.29 0.00 0.00 176.35 173.07 2zjq n PRO 96 N 6.39 0.00 0.03 0.98 -0.02 -1.26 -4.68 135.00 136.43 2zjq n PRO 96 Ca 0.15 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.50 2zjq n PRO 96 Cb 0.44 -0.61 -0.08 0.00 -0.02 0.00 0.00 33.50 33.23 2zjq n PRO 96 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2zjq h ARG 97 N 0.90 -0.50 -0.40 -0.52 2.43 -1.99 -2.45 114.38 111.85 2zjq h ARG 97 Ca -0.19 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.13 2zjq h ARG 97 Cb 0.73 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 2zjq h ARG 97 CO 0.30 -0.33 0.92 0.37 -1.51 0.00 0.00 179.97 179.72 2zjq h GLN 98 N -0.52 0.00 0.11 0.20 4.15 -1.99 1.08 115.11 118.15 2zjq h GLN 98 Ca 0.01 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.10 2zjq h GLN 98 Cb 0.57 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 2zjq h GLN 98 CO -0.31 0.00 -1.79 0.28 -1.93 0.00 0.00 178.83 175.08 2zjq h VAL 99 N 0.00 0.85 0.00 2.39 2.07 -1.77 -1.25 116.25 118.54 2zjq h VAL 99 Ca 0.19 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 65.16 2zjq h VAL 99 Cb 2.03 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 34.40 2zjq h VAL 99 CO -0.00 0.80 0.00 0.54 0.02 0.00 0.00 177.57 178.93 2zjq n ARG 100 N -3.42 0.33 -0.13 1.57 1.74 0.37 0.74 116.66 117.85 2zjq n ARG 100 Ca -0.24 0.07 -0.28 0.00 -0.77 0.00 0.00 57.85 56.63 2zjq n ARG 100 Cb 1.05 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.90 2zjq n ARG 100 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2zjq n GLN 101 N -1.12 0.56 0.00 5.56 1.13 -0.63 -4.02 117.38 118.87 2zjq n GLN 101 Ca 0.09 0.24 0.08 0.00 -1.94 0.00 0.00 57.00 55.46 2zjq n GLN 101 Cb 0.07 -1.44 0.45 0.00 0.11 0.00 0.00 30.24 29.43 2zjq n GLN 101 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2zjq n LEU 102 N -4.13 0.00 0.00 1.08 0.00 -0.48 -3.12 117.00 110.35 2zjq n LEU 102 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.49 2zjq n LEU 102 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.29 2zjq n LEU 102 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.04 2zjq n GLY 103 N 0.18 -0.37 0.50 -3.96 0.00 0.23 -2.87 105.19 98.90 2zjq n GLY 103 Ca 0.11 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.37 2zjq n GLY 103 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2zjq h LEU 104 N 0.00 0.00 0.34 0.99 -0.00 -1.79 0.93 115.31 115.78 2zjq h LEU 104 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2zjq h LEU 104 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2zjq h LEU 104 CO 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 178.44 178.26 2zjq h ALA 105 N 0.45 -1.10 -0.97 0.17 0.00 -1.71 1.53 119.26 117.63 2zjq h ALA 105 Ca 0.41 -0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.47 2zjq h ALA 105 Cb 2.78 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 20.73 2zjq h ALA 105 CO -0.00 -1.07 0.66 1.98 0.00 0.00 0.00 179.25 180.81 2zjq h MET 106 N -0.47 0.27 0.06 0.00 1.85 0.10 0.17 114.93 116.91 2zjq h MET 106 Ca -0.05 -0.02 -0.23 0.00 -0.61 0.00 0.00 59.70 58.80 2zjq h MET 106 Cb 0.37 -0.06 0.02 0.00 0.43 0.00 0.00 31.60 32.36 2zjq h MET 106 CO 0.07 0.18 -0.93 0.00 -0.40 0.00 0.00 176.91 175.83 2zjq h ALA 107 N 1.58 0.03 -0.42 0.39 0.00 -0.93 -3.13 119.26 116.78 2zjq h ALA 107 Ca 0.51 -0.68 0.08 0.00 0.00 0.00 0.00 54.91 54.82 2zjq h ALA 107 Cb 1.50 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.29 2zjq h ALA 107 CO -0.16 0.53 -0.02 0.82 0.00 0.00 0.00 179.25 180.41 2zjq h ILE 108 N 0.08 0.66 0.00 0.00 5.03 0.50 -2.00 117.51 121.78 2zjq h ILE 108 Ca -0.13 -0.03 0.00 0.00 -0.12 0.00 0.00 64.86 64.58 2zjq h ILE 108 Cb 1.63 0.57 0.00 0.00 -3.03 0.00 0.00 36.82 35.99 2zjq h ILE 108 CO 0.18 0.02 0.00 0.00 -0.68 0.00 0.00 178.15 177.66 2zjq n ALA 109 N -2.61 0.00 0.00 1.87 0.00 -0.40 -0.71 120.51 118.67 2zjq n ALA 109 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2zjq n ALA 109 Cb 0.22 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2zjq n ALA 109 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2zjq n SER 110 N -0.47 0.00 0.08 0.00 7.64 -1.04 0.44 113.62 120.27 2zjq n SER 110 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 2zjq n SER 110 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2zjq n SER 110 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2zjq h ARG 111 N 0.00 -0.12 -0.22 1.43 2.47 -0.43 -2.31 114.38 115.20 2zjq h ARG 111 Ca 0.00 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2zjq h ARG 111 Cb 0.00 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 2zjq h ARG 111 CO 0.00 -0.06 0.13 1.96 0.56 0.00 0.00 179.97 182.56 2zjq h GLN 112 N -0.15 0.31 0.00 0.04 1.08 1.13 0.23 115.11 117.75 2zjq h GLN 112 Ca -0.01 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2zjq h GLN 112 Cb 0.12 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2zjq h GLN 112 CO 0.02 0.27 0.17 0.39 -0.95 0.00 0.00 178.83 178.73 2zjq n GLU 113 N -4.88 0.00 0.00 1.46 1.02 0.05 -4.37 120.64 113.92 2zjq n GLU 113 Ca -0.03 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 2zjq n GLU 113 Cb 0.07 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 2zjq n GLU 113 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2zjq n GLY 114 N -1.32 2.08 2.66 0.62 0.00 0.41 -5.03 105.19 104.61 2zjq n GLY 114 Ca 0.00 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 2zjq n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zjq n GLY 115 N 0.00 5.93 3.71 -0.02 0.00 0.51 -5.02 105.19 110.29 2zjq n GLY 115 Ca 0.00 -2.49 -0.30 0.00 0.00 0.00 0.00 46.02 43.23 2zjq n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2zjq s LYS 116 N -3.91 -0.53 0.00 1.61 -2.85 -0.37 -3.41 119.74 110.28 2zjq s LYS 116 Ca 0.43 -0.15 0.00 0.00 -1.00 0.00 0.00 55.97 55.25 2zjq s LYS 116 Cb 0.23 -1.68 0.00 0.00 -2.06 0.00 0.00 37.83 34.31 2zjq s LYS 116 CO -0.17 -3.24 0.00 -0.11 0.10 0.00 0.00 175.35 171.93 2zjq n LEU 117 N -4.41 0.00 -4.36 2.77 0.00 -1.14 -4.82 117.00 105.04 2zjq n LEU 117 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 56.01 55.96 2zjq n LEU 117 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.91 2zjq n LEU 117 CO 0.46 0.00 -0.30 0.68 0.00 0.00 0.00 177.39 178.23 2zjq s VAL 118 N -1.20 1.01 -0.12 1.96 -7.23 -1.26 -0.68 120.40 112.88 2zjq s VAL 118 Ca 0.00 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.04 2zjq s VAL 118 Cb 0.00 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.45 2zjq s VAL 118 CO 0.00 -0.18 0.32 0.00 -0.31 0.00 0.00 175.10 174.93 2zjq s ALA 119 N -3.43 -0.80 -0.68 1.32 0.00 -1.21 -4.11 121.76 112.84 2zjq s ALA 119 Ca 0.32 0.94 0.05 0.00 0.00 0.00 0.00 51.96 53.27 2zjq s ALA 119 Cb 0.07 -0.55 0.17 0.00 0.00 0.00 0.00 23.12 22.81 2zjq s ALA 119 CO 0.11 -0.16 0.47 0.08 0.00 0.00 0.00 175.76 176.27 2zjq s VAL 120 N 0.26 2.73 0.46 0.00 1.01 -1.26 -2.87 120.40 120.72 2zjq s VAL 120 Ca -0.01 -4.14 0.00 0.00 0.00 0.00 0.00 61.98 57.84 2zjq s VAL 120 Cb -0.03 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.55 2zjq s VAL 120 CO -0.00 -1.01 0.00 -0.67 0.00 0.00 0.00 175.10 173.42 2zjq n ASP 121 N 2.08 -6.73 -3.00 3.32 -0.08 -1.26 -3.94 116.55 106.93 2zjq n ASP 121 Ca 0.20 1.39 -0.25 0.00 -1.51 0.00 0.00 54.79 54.61 2zjq n ASP 121 Cb 0.36 -3.76 -0.04 0.00 2.34 0.00 0.00 41.12 40.02 2zjq n ASP 121 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2zjq n GLY 122 N -2.10 5.20 0.40 0.27 0.00 -1.26 -4.77 105.19 102.94 2zjq n GLY 122 Ca 0.00 -2.57 0.14 0.00 0.00 0.00 0.00 46.02 43.59 2zjq n GLY 122 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2zjq h PHE 123 N 3.02 0.00 0.00 1.61 3.57 -2.05 1.36 116.94 124.45 2zjq h PHE 123 Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2zjq h PHE 123 Cb 0.60 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.34 2zjq h PHE 123 CO 0.76 0.00 0.42 0.38 -2.23 0.00 0.00 178.31 177.64 2zjq h ASP 124 N 0.00 0.00 0.00 0.41 2.03 -2.00 -3.33 116.42 113.53 2zjq h ASP 124 Ca 0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 2zjq h ASP 124 Cb 1.99 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.49 2zjq h ASP 124 CO -0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 179.24 177.83 2zjq n ILE 125 N -2.75 0.00 -2.20 4.15 2.08 0.47 -4.88 119.36 116.22 2zjq n ILE 125 Ca -0.02 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.26 2zjq n ILE 125 Cb 0.46 -0.01 -0.03 0.00 -0.75 0.00 0.00 39.64 39.31 2zjq n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2zjq n ALA 126 N -1.52 -3.31 -0.03 -1.39 0.00 -1.25 -4.88 120.51 108.13 2zjq n ALA 126 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 53.44 54.93 2zjq n ALA 126 Cb 0.00 -2.97 -0.00 0.00 0.00 0.00 0.00 19.45 16.48 2zjq n ALA 126 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2zjq n ASP 127 N 1.20 -0.21 0.08 0.00 8.00 -1.26 -4.71 116.55 119.65 2zjq n ASP 127 Ca -0.25 0.02 -0.03 0.00 0.71 0.00 0.00 54.79 55.24 2zjq n ASP 127 Cb 0.39 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 2zjq n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2zjq h ALA 128 N -0.03 -0.76 0.00 2.24 0.00 -1.93 -3.42 119.26 115.35 2zjq h ALA 128 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2zjq h ALA 128 Cb 0.03 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2zjq h ALA 128 CO 0.00 -0.74 0.00 1.63 0.00 0.00 0.00 179.25 180.14 2zjq n LYS 129 N -2.73 0.00 0.00 0.00 4.76 -1.26 -4.49 118.16 114.43 2zjq n LYS 129 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2zjq n LYS 129 Cb 0.08 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.27 2zjq n LYS 129 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2zjq n THR 130 N 0.00 0.00 -0.35 -0.18 -1.04 -1.26 -4.51 114.28 106.93 2zjq n THR 130 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 2zjq n THR 130 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 2zjq n THR 130 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2zjq n LYS 131 N 0.00 -0.37 0.22 -2.82 4.81 -1.26 0.16 118.16 118.90 2zjq n LYS 131 Ca 0.00 1.32 0.15 0.00 -0.87 0.00 0.00 58.31 58.91 2zjq n LYS 131 Cb 0.00 -1.95 0.50 0.00 0.02 0.00 0.00 35.03 33.61 2zjq n LYS 131 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 2zjq h ASN 132 N 0.00 0.00 -0.70 3.14 -1.24 -1.88 -1.40 115.58 113.49 2zjq h ASN 132 Ca 0.13 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.09 2zjq h ASN 132 Cb 0.34 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.36 2zjq h ASN 132 CO -0.79 0.00 0.24 0.15 -1.29 0.00 0.00 177.43 175.74 2zjq h PHE 133 N 0.00 1.13 -0.40 0.67 3.57 0.13 0.65 116.94 122.69 2zjq h PHE 133 Ca 0.00 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.37 2zjq h PHE 133 Cb 0.62 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2zjq h PHE 133 CO 0.00 0.88 0.14 0.82 -2.23 0.00 0.00 178.31 177.93 2zjq h ILE 134 N 1.06 1.21 -0.12 1.41 2.04 0.58 -1.49 117.51 122.19 2zjq h ILE 134 Ca 0.23 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.45 2zjq h ILE 134 Cb 0.27 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2zjq h ILE 134 CO -0.01 0.23 -0.09 -1.28 0.00 0.00 0.00 178.15 177.00 2zjq h SER 135 N 0.50 -0.33 -0.67 1.72 0.87 -0.34 0.14 113.55 115.44 2zjq h SER 135 Ca 0.13 0.05 0.13 0.00 -1.23 0.00 0.00 61.79 60.87 2zjq h SER 135 Cb 0.22 0.14 -0.13 0.00 -0.44 0.00 0.00 62.40 62.20 2zjq h SER 135 CO -0.01 -0.05 -0.23 -0.25 -0.53 0.00 0.00 176.83 175.76 2zjq h TRP 136 N -0.03 -0.57 -0.88 2.24 2.91 -0.86 0.18 115.95 118.95 2zjq h TRP 136 Ca 0.02 0.07 0.11 0.00 1.13 0.00 0.00 58.89 60.22 2zjq h TRP 136 Cb 0.08 0.35 -0.13 0.00 -0.51 0.00 0.00 29.16 28.96 2zjq h TRP 136 CO -0.82 -0.33 -0.43 0.00 -1.03 0.00 0.00 178.44 175.84 2zjq n ALA 137 N -3.17 -0.32 -0.88 2.65 0.00 0.32 -2.02 120.51 117.09 2zjq n ALA 137 Ca 0.08 0.82 0.00 0.00 0.00 0.00 0.00 53.44 54.33 2zjq n ALA 137 Cb 0.36 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2zjq n ALA 137 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2zjq n LYS 138 N -5.21 0.00 0.00 0.00 5.02 0.64 -0.57 118.16 118.04 2zjq n LYS 138 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2zjq n LYS 138 Cb 0.30 -0.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.98 2zjq n LYS 138 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2zjq n GLN 139 N 0.00 0.00 0.00 1.97 1.13 -1.06 0.14 117.38 119.56 2zjq n GLN 139 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2zjq n GLN 139 Cb 0.00 -0.97 0.00 0.00 0.11 0.00 0.00 30.24 29.38 2zjq n GLN 139 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2zjq n ASN 140 N 0.48 1.59 0.00 1.08 3.02 0.02 -4.96 115.26 116.50 2zjq n ASN 140 Ca 0.00 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 2zjq n ASN 140 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2zjq n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2zjq n GLY 141 N -0.39 1.61 2.30 7.41 0.00 0.37 -4.92 105.19 111.56 2zjq n GLY 141 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2zjq n GLY 141 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2zjq n LEU 142 N 0.00 8.05 -0.39 0.99 4.77 0.26 -4.76 117.00 125.92 2zjq n LEU 142 Ca 0.00 -4.27 -0.08 0.00 -0.03 0.00 0.00 56.01 51.64 2zjq n LEU 142 Cb 0.00 -1.49 -0.06 0.00 -2.33 0.00 0.00 43.42 39.54 2zjq n LEU 142 CO 0.00 2.01 0.49 0.47 -1.33 0.00 0.00 177.39 179.02 2zjq n ASP 143 N 3.01 -0.90 0.00 -1.43 8.00 -1.26 -4.00 116.55 119.97 2zjq n ASP 143 Ca 0.70 1.69 0.00 0.00 0.71 0.00 0.00 54.79 57.88 2zjq n ASP 143 Cb 0.35 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 2zjq n ASP 143 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2zjq n GLY 144 N -1.30 1.11 0.01 0.44 0.00 -1.26 -4.87 105.19 99.31 2zjq n GLY 144 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 2zjq n GLY 144 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2zjq n THR 145 N 0.00 0.00 -4.40 2.61 -1.04 -1.26 -4.86 114.28 105.33 2zjq n THR 145 Ca 0.00 -0.44 -0.30 0.00 -2.04 0.00 0.00 64.05 61.27 2zjq n THR 145 Cb 0.00 1.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.40 2zjq n THR 145 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2zjq s GLU 146 N -1.21 1.97 0.04 -2.82 0.41 -1.26 -5.03 118.70 110.80 2zjq s GLU 146 Ca 0.01 -1.07 -0.31 0.00 -0.41 0.00 0.00 54.97 53.20 2zjq s GLU 146 Cb 0.02 -2.19 -0.06 0.00 -1.78 0.00 0.00 34.13 30.12 2zjq s GLU 146 CO 0.11 0.51 1.33 0.15 -0.49 0.00 0.00 175.26 176.87 2zjq s LYS 147 N -1.91 4.34 -0.09 1.61 1.02 -1.24 -4.15 119.74 119.32 2zjq s LYS 147 Ca 0.18 1.92 0.04 0.00 0.02 0.00 0.00 55.97 58.12 2zjq s LYS 147 Cb -0.11 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 2zjq s LYS 147 CO 0.09 -0.45 -0.21 0.08 -0.92 0.00 0.00 175.35 173.95 2zjq s VAL 148 N 1.69 1.78 -0.13 3.17 1.01 1.13 -0.64 120.40 128.42 2zjq s VAL 148 Ca 0.62 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 2zjq s VAL 148 Cb -0.32 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 2zjq s VAL 148 CO 0.28 0.50 -0.10 -0.22 0.00 0.00 0.00 175.10 175.56 2zjq s LEU 149 N 0.38 2.92 -0.68 3.92 2.96 0.13 -0.63 118.68 127.67 2zjq s LEU 149 Ca -0.16 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.56 2zjq s LEU 149 Cb -0.17 -1.67 0.20 0.00 0.50 0.00 0.00 46.19 45.06 2zjq s LEU 149 CO 0.07 0.18 0.61 0.18 -1.32 0.00 0.00 176.35 176.07 2zjq n LEU 150 N 3.42 3.37 -4.66 -0.68 4.32 -1.16 0.26 117.00 121.86 2zjq n LEU 150 Ca -0.18 -5.32 -0.42 0.00 -0.02 0.00 0.00 56.01 50.07 2zjq n LEU 150 Cb 0.53 -0.72 -0.03 0.00 -1.62 0.00 0.00 43.42 41.58 2zjq n LEU 150 CO 0.31 1.89 1.35 -0.69 -1.22 0.00 0.00 177.39 179.02 2zjq s VAL 151 N -1.91 3.62 -0.28 4.08 1.01 -0.36 -3.46 120.40 123.09 2zjq s VAL 151 Ca 0.31 0.76 -0.27 0.00 0.00 0.00 0.00 61.98 62.79 2zjq s VAL 151 Cb 0.04 -3.49 0.18 0.00 0.00 0.00 0.00 36.38 33.11 2zjq s VAL 151 CO -0.10 -0.06 1.34 0.28 0.00 0.00 0.00 175.10 176.56 2zjq s THR 152 N 3.94 0.00 0.00 3.92 -1.32 -0.08 -3.79 115.64 118.31 2zjq s THR 152 Ca 0.72 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.20 2zjq s THR 152 Cb -0.33 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.66 2zjq s THR 152 CO 0.29 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 173.17 2zjq n ASP 153 N 1.27 0.00 -3.41 8.08 9.92 -1.26 -3.87 116.55 127.27 2zjq n ASP 153 Ca -0.07 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 53.93 2zjq n ASP 153 Cb 0.57 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 41.07 2zjq n ASP 153 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2zjq n ASP 154 N 0.00 -6.05 -0.29 -2.24 5.75 -1.26 -4.59 116.55 107.87 2zjq n ASP 154 Ca 0.00 -0.23 0.06 0.00 -0.01 0.00 0.00 54.79 54.61 2zjq n ASP 154 Cb 0.00 -2.77 0.15 0.00 -1.03 0.00 0.00 41.12 37.47 2zjq n ASP 154 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2zjq h GLU 155 N 1.28 0.03 -0.63 0.11 4.57 -2.02 -1.25 114.58 116.68 2zjq h GLU 155 Ca -0.42 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.71 2zjq h GLU 155 Cb 1.29 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.84 2zjq h GLU 155 CO 0.27 0.02 0.20 -0.91 -1.18 0.00 0.00 179.01 177.41 2zjq h ASN 156 N 0.03 0.90 0.16 1.04 2.35 -2.01 -3.14 115.58 114.92 2zjq h ASN 156 Ca 0.44 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2zjq h ASN 156 Cb 0.75 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 2zjq h ASN 156 CO -0.81 0.87 -0.23 0.71 -1.65 0.00 0.00 177.43 176.31 2zjq h THR 157 N 0.90 0.00 -0.85 2.81 1.35 -1.54 -2.85 112.91 112.72 2zjq h THR 157 Ca 0.20 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.21 2zjq h THR 157 Cb 0.28 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 66.55 2zjq h THR 157 CO -0.01 0.00 -0.33 0.03 -0.25 0.00 0.00 175.52 174.97 2zjq h ARG 158 N -0.41 -0.04 -0.44 4.72 3.08 -1.60 0.51 114.38 120.19 2zjq h ARG 158 Ca -0.02 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.16 2zjq h ARG 158 Cb 0.37 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2zjq h ARG 158 CO -0.07 -0.03 0.59 -2.13 -1.07 0.00 0.00 179.97 177.26 2zjq n ARG 159 N -5.49 0.01 -3.45 0.04 0.63 -1.07 -2.14 116.66 105.19 2zjq n ARG 159 Ca 0.09 0.50 -0.44 0.00 -0.92 0.00 0.00 57.85 57.09 2zjq n ARG 159 Cb 0.40 -1.25 -0.04 0.00 0.45 0.00 0.00 32.46 32.02 2zjq n ARG 159 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2zjq s ALA 160 N -3.12 4.01 0.00 5.13 0.00 0.17 -4.75 121.76 123.20 2zjq s ALA 160 Ca -0.01 -3.37 0.00 0.00 0.00 0.00 0.00 51.96 48.57 2zjq s ALA 160 Cb 0.06 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2zjq s ALA 160 CO 0.20 -2.23 0.00 0.00 0.00 0.00 0.00 175.76 173.73 2zjq n ALA 161 N 3.67 0.00 -1.22 0.00 0.00 -0.91 -4.88 120.51 117.17 2zjq n ALA 161 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.66 2zjq n ALA 161 Cb 0.44 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.03 2zjq n ALA 161 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2zjq n ARG 162 N 0.00 1.26 -4.19 0.00 0.00 -1.26 -4.81 116.66 107.67 2zjq n ARG 162 Ca 0.00 -2.63 -0.34 0.00 -0.00 0.00 0.00 57.85 54.88 2zjq n ARG 162 Cb 0.00 -1.46 -0.08 0.00 0.00 0.00 0.00 32.46 30.92 2zjq n ARG 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2zjq s ASN 163 N -2.85 5.51 0.00 6.15 4.22 -1.26 -5.10 114.94 121.60 2zjq s ASN 163 Ca 0.32 0.14 0.00 0.00 -2.14 0.00 0.00 52.86 51.18 2zjq s ASN 163 Cb 0.28 -1.57 0.00 0.00 1.28 0.00 0.00 41.25 41.25 2zjq s ASN 163 CO 0.01 0.31 0.00 1.33 -2.04 0.00 0.00 177.10 176.71 2zjq n VAL 164 N 1.56 0.00 0.00 3.54 0.24 -1.26 -4.19 118.33 118.21 2zjq n VAL 164 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2zjq n VAL 164 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 2zjq n VAL 164 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2zjq n SER 165 N 0.00 0.00 0.00 -1.34 2.88 -1.26 -2.52 113.62 111.38 2zjq n SER 165 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2zjq n SER 165 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2zjq n SER 165 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2zjq n TRP 166 N -0.19 0.00 -3.62 0.66 5.03 -1.26 -3.62 117.44 114.44 2zjq n TRP 166 Ca 0.00 0.00 -0.21 0.00 3.03 0.00 0.00 57.50 60.32 2zjq n TRP 166 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.25 2zjq n TRP 166 CO 0.00 0.00 0.00 0.14 -0.03 0.00 0.00 177.69 177.80 2zjq s VAL 167 N 0.00 3.16 -0.16 -0.99 -7.23 -1.05 0.36 120.40 114.49 2zjq s VAL 167 Ca 0.00 -1.31 -0.05 0.00 -1.81 0.00 0.00 61.98 58.81 2zjq s VAL 167 Cb 0.00 -3.10 0.08 0.00 0.56 0.00 0.00 36.38 33.92 2zjq s VAL 167 CO 0.00 -0.09 0.30 -0.55 -0.31 0.00 0.00 175.10 174.45 2zjq s SER 168 N -4.09 0.35 1.04 4.85 0.15 0.20 -4.77 113.70 111.43 2zjq s SER 168 Ca 0.45 0.53 -0.12 0.00 0.70 0.00 0.00 55.95 57.52 2zjq s SER 168 Cb -0.05 0.83 0.22 0.00 -1.71 0.00 0.00 66.02 65.30 2zjq s SER 168 CO 0.28 -0.26 1.07 -0.69 1.20 0.00 0.00 173.24 174.85 2zjq s VAL 169 N 2.46 2.16 -0.30 4.45 1.01 -1.26 -2.99 120.40 125.93 2zjq s VAL 169 Ca 0.03 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.98 2zjq s VAL 169 Cb -0.13 -2.20 0.19 0.00 0.00 0.00 0.00 36.38 34.24 2zjq s VAL 169 CO -0.11 -0.07 0.96 -0.22 0.00 0.00 0.00 175.10 175.66 2zjq s LEU 170 N -6.84 -0.65 0.95 3.92 2.96 -1.23 -4.80 118.68 112.99 2zjq s LEU 170 Ca 0.67 0.06 -0.15 0.00 -0.22 0.00 0.00 54.13 54.49 2zjq s LEU 170 Cb -0.23 1.39 0.07 0.00 0.50 0.00 0.00 46.19 47.93 2zjq s LEU 170 CO 0.61 -0.12 -0.09 -2.65 -1.32 0.00 0.00 176.35 172.78 2zjq n PRO 171 N 5.12 -1.43 0.00 0.98 -0.02 -1.25 -0.90 135.00 137.50 2zjq n PRO 171 Ca 0.09 -0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.15 2zjq n PRO 171 Cb 0.57 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 2zjq n PRO 171 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2zjq n VAL 172 N -4.04 0.00 -2.55 -1.45 0.31 -1.26 0.38 118.33 109.72 2zjq n VAL 172 Ca 0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.29 2zjq n VAL 172 Cb 0.41 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.34 2zjq n VAL 172 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2zjq n ALA 173 N 0.00 -0.92 -0.84 3.52 0.00 -1.26 -4.69 120.51 116.31 2zjq n ALA 173 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 2zjq n ALA 173 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 2zjq n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2zjq n GLY 174 N -0.65 2.92 0.00 0.00 0.00 0.16 -4.88 105.19 102.73 2zjq n GLY 174 Ca -0.05 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2zjq n GLY 174 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2zjq n VAL 175 N 2.01 0.00 0.00 1.61 0.24 -1.26 -4.88 118.33 116.05 2zjq n VAL 175 Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.58 2zjq n VAL 175 Cb 0.74 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 2zjq n VAL 175 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2zjq n ASN 176 N -0.43 0.00 -0.50 -1.34 5.15 -1.26 -5.01 115.26 111.87 2zjq n ASN 176 Ca 0.00 0.00 0.41 0.00 -0.60 0.00 0.00 54.58 54.39 2zjq n ASN 176 Cb 0.00 0.00 0.70 0.00 -0.53 0.00 0.00 39.78 39.95 2zjq n ASN 176 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2zjq h VAL 177 N 0.00 0.09 0.00 3.44 2.07 -1.96 -2.91 116.25 116.99 2zjq h VAL 177 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2zjq h VAL 177 Cb 0.00 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 2zjq h VAL 177 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2zjq n TYR 178 N -4.49 0.00 0.00 1.57 9.36 -1.26 -2.40 117.16 119.93 2zjq n TYR 178 Ca 0.39 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.61 2zjq n TYR 178 Cb 1.58 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 40.29 2zjq n TYR 178 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2zjq n ASP 179 N 0.00 0.00 -0.14 2.98 8.00 -1.11 0.11 116.55 126.39 2zjq n ASP 179 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 2zjq n ASP 179 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 2zjq n ASP 179 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2zjq h ILE 180 N 0.00 0.00 0.00 0.53 2.10 -1.67 0.59 117.51 119.05 2zjq h ILE 180 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2zjq h ILE 180 Cb 0.00 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 35.73 2zjq h ILE 180 CO 0.00 0.00 0.00 -0.11 -1.08 0.00 0.00 178.15 176.96 2zjq n LEU 181 N -5.14 0.60 0.09 2.19 7.94 0.30 -3.07 117.00 119.90 2zjq n LEU 181 Ca -0.03 0.65 -0.05 0.00 -1.11 0.00 0.00 56.01 55.47 2zjq n LEU 181 Cb 0.31 -0.57 -0.02 0.00 0.53 0.00 0.00 43.42 43.66 2zjq n LEU 181 CO -0.00 -0.54 0.13 -0.09 -1.11 0.00 0.00 177.39 175.78 2zjq h ARG 182 N 0.00 -0.29 -7.55 1.96 2.43 0.47 -3.46 114.38 107.93 2zjq h ARG 182 Ca 0.00 0.02 -0.46 0.00 -0.81 0.00 0.00 59.98 58.73 2zjq h ARG 182 Cb 0.34 0.07 0.12 0.00 -0.42 0.00 0.00 29.97 30.08 2zjq h ARG 182 CO 0.00 -0.19 0.35 -1.01 -1.51 0.00 0.00 179.97 177.61 2zjq s HIS 183 N -2.52 2.71 0.00 2.20 3.76 0.14 -5.04 115.29 116.53 2zjq s HIS 183 Ca -0.04 0.80 0.00 0.00 -0.15 0.00 0.00 55.06 55.67 2zjq s HIS 183 Cb 0.00 -3.44 0.00 0.00 1.11 0.00 0.00 32.58 30.25 2zjq s HIS 183 CO 0.13 -2.10 0.00 -0.25 -0.85 0.00 0.00 174.74 171.67 2zjq n ASP 184 N -3.56 0.00 -4.74 1.40 8.00 -0.58 -4.87 116.55 112.20 2zjq n ASP 184 Ca 0.07 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.16 2zjq n ASP 184 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.67 2zjq n ASP 184 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2zjq s ARG 185 N 0.00 4.44 -0.23 -1.24 1.81 0.19 -4.91 118.95 119.02 2zjq s ARG 185 Ca 0.00 1.97 -0.07 0.00 -1.72 0.00 0.00 55.73 55.91 2zjq s ARG 185 Cb 0.00 -3.21 -0.03 0.00 -0.45 0.00 0.00 34.95 31.26 2zjq s ARG 185 CO 0.00 -0.15 0.07 -1.17 -0.68 0.00 0.00 175.30 173.37 2zjq s LEU 186 N -0.33 3.56 -1.06 2.53 2.96 -1.22 -0.69 118.68 124.42 2zjq s LEU 186 Ca 0.54 -0.12 -0.10 0.00 -0.22 0.00 0.00 54.13 54.23 2zjq s LEU 186 Cb -0.35 -1.94 0.27 0.00 0.50 0.00 0.00 46.19 44.67 2zjq s LEU 186 CO 0.39 0.02 1.05 -0.69 -1.32 0.00 0.00 176.35 175.80 2zjq s VAL 187 N 1.27 5.92 0.57 1.68 1.01 0.72 -2.86 120.40 128.71 2zjq s VAL 187 Ca 0.05 -3.24 0.27 0.00 0.00 0.00 0.00 61.98 59.06 2zjq s VAL 187 Cb -0.15 -4.59 0.35 0.00 0.00 0.00 0.00 36.38 32.00 2zjq s VAL 187 CO 0.04 -1.16 2.14 0.40 0.00 0.00 0.00 175.10 176.51 2zjq h ILE 188 N 3.88 0.58 0.00 2.22 2.04 -1.12 -0.94 117.51 124.18 2zjq h ILE 188 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 2zjq h ILE 188 Cb 0.90 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2zjq h ILE 188 CO 0.97 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 178.45 2zjq n ASP 189 N -3.97 0.00 -2.16 1.72 -0.08 -1.23 -4.57 116.55 106.26 2zjq n ASP 189 Ca 0.00 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.97 2zjq n ASP 189 Cb 0.25 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.66 2zjq n ASP 189 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2zjq n ALA 190 N 9.78 -0.42 0.90 -1.67 0.00 -1.14 -3.35 120.51 124.61 2zjq n ALA 190 Ca 0.00 0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.72 2zjq n ALA 190 Cb 0.00 -0.92 0.45 0.00 0.00 0.00 0.00 19.45 18.98 2zjq n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2zjq n ALA 191 N 2.36 2.00 -0.75 0.00 0.00 -1.26 -4.15 120.51 118.72 2zjq n ALA 191 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2zjq n ALA 191 Cb -0.03 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2zjq n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2zjq n ALA 192 N -1.17 0.00 0.10 0.00 0.00 -1.26 0.96 120.51 119.14 2zjq n ALA 192 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.55 2zjq n ALA 192 Cb 0.10 0.03 0.06 0.00 0.00 0.00 0.00 19.45 19.64 2zjq n ALA 192 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2zjq n LEU 193 N -0.15 0.00 -4.15 0.00 0.00 -1.26 -3.63 117.00 107.81 2zjq n LEU 193 Ca 0.00 0.44 -0.38 0.00 0.00 0.00 0.00 56.01 56.07 2zjq n LEU 193 Cb 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 43.42 42.93 2zjq n LEU 193 CO 0.00 -0.40 0.40 -0.70 0.00 0.00 0.00 177.39 176.69 2zjq s GLU 194 N -2.88 3.39 0.00 1.96 2.12 0.27 -4.85 118.70 118.72 2zjq s GLU 194 Ca 0.02 -3.20 0.00 0.00 0.36 0.00 0.00 54.97 52.14 2zjq s GLU 194 Cb 0.02 -4.05 0.00 0.00 0.26 0.00 0.00 34.13 30.35 2zjq s GLU 194 CO 0.04 -1.26 0.00 0.44 -0.54 0.00 0.00 175.26 173.95 2zjq n ILE 195 N 2.51 0.00 0.00 -3.70 -5.35 -1.08 -4.52 119.36 107.21 2zjq n ILE 195 Ca 0.21 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.69 2zjq n ILE 195 Cb 0.38 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.28 2zjq n ILE 195 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2zjq n VAL 196 N 0.68 0.00 -3.67 7.28 0.31 -1.26 -4.79 118.33 116.88 2zjq n VAL 196 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2zjq n VAL 196 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 2zjq n VAL 196 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2zjq s GLU 197 N -1.57 0.95 0.00 5.55 2.12 -1.26 -4.95 118.70 119.54 2zjq s GLU 197 Ca 0.00 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 54.84 2zjq s GLU 197 Cb 0.00 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.81 2zjq s GLU 197 CO 0.00 -0.33 0.00 0.39 -0.54 0.00 0.00 175.26 174.78