#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjz s ASP 2 N 0.00 3.69 0.00 6.12 -4.77 -1.26 -5.00 116.67 115.45 1qjz s ASP 2 Ca 0.00 -1.94 0.00 0.00 -3.30 0.00 0.00 52.55 47.31 1qjz s ASP 2 Cb 0.00 -0.76 0.00 0.00 -1.09 0.00 0.00 42.92 41.07 1qjz s ASP 2 CO 0.00 -0.36 0.00 -1.20 0.70 0.00 0.00 175.17 174.31 1qjz n SER 3 N 4.43 0.00 -4.55 2.11 7.64 -1.26 -4.91 113.62 117.07 1qjz n SER 3 Ca 0.03 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.60 1qjz n SER 3 Cb 0.39 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.55 1qjz n SER 3 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1qjz s SER 4 N 1.00 4.98 0.01 6.43 1.04 -1.26 -4.59 113.70 121.31 1qjz s SER 4 Ca 0.00 0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.43 1qjz s SER 4 Cb 0.00 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.58 1qjz s SER 4 CO 0.00 -2.74 -0.00 1.21 0.98 0.00 0.00 173.24 172.69 1qjz n GLU 5 N 9.00 0.00 0.00 4.02 2.13 -1.26 -4.99 120.64 129.54 1qjz n GLU 5 Ca 0.33 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.15 1qjz n GLU 5 Cb 0.49 -0.11 0.00 0.00 0.27 0.00 0.00 31.44 32.10 1qjz n GLU 5 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1qjz n VAL 6 N -2.65 0.00 -2.19 6.31 0.31 -1.26 -4.86 118.33 113.98 1qjz n VAL 6 Ca -0.00 0.96 -0.12 0.00 -0.01 0.00 0.00 64.34 65.16 1qjz n VAL 6 Cb 0.00 -1.57 -0.02 0.00 -0.91 0.00 0.00 33.84 31.34 1qjz n VAL 6 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1qjz n VAL 7 N -0.81 -0.46 -3.49 2.52 0.24 -1.26 -4.80 118.33 110.27 1qjz n VAL 7 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.90 1qjz n VAL 7 Cb 0.00 -1.64 -0.10 0.00 -1.47 0.00 0.00 33.84 30.63 1qjz n VAL 7 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1qjz s LYS 8 N -4.57 3.52 -0.08 7.34 1.02 -1.26 -1.83 119.74 123.87 1qjz s LYS 8 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1qjz s LYS 8 Cb 0.00 -3.81 -0.03 0.00 -0.52 0.00 0.00 37.83 33.47 1qjz s LYS 8 CO 0.00 -0.47 -0.06 0.08 -0.92 0.00 0.00 175.35 173.98 1qjz s VAL 9 N 1.82 3.77 0.37 3.17 1.01 -0.31 -4.89 120.40 125.34 1qjz s VAL 9 Ca 0.08 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1qjz s VAL 9 Cb -0.17 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1qjz s VAL 9 CO 0.11 0.59 0.65 -0.54 0.00 0.00 0.00 175.10 175.91 1qjz s LYS 10 N -0.68 3.60 0.20 2.72 3.01 -1.26 -4.20 119.74 123.13 1qjz s LYS 10 Ca 0.10 0.07 0.07 0.00 -1.01 0.00 0.00 55.97 55.20 1qjz s LYS 10 Cb -0.11 -2.53 -0.04 0.00 -1.01 0.00 0.00 37.83 34.14 1qjz s LYS 10 CO 0.02 0.04 0.11 -1.14 0.51 0.00 0.00 175.35 174.89 1qjz s GLN 11 N -4.08 2.73 -0.01 1.68 0.74 -1.26 -5.06 119.66 114.40 1qjz s GLN 11 Ca 0.45 -1.04 -0.40 0.00 0.05 0.00 0.00 55.36 54.43 1qjz s GLN 11 Cb -0.10 -2.51 -0.19 0.00 1.10 0.00 0.00 33.01 31.31 1qjz s GLN 11 CO 0.35 0.44 1.16 0.00 -0.55 0.00 0.00 175.29 176.69 1qjz n ALA 12 N -0.61 -2.98 -2.43 1.58 0.00 -1.26 -4.84 120.51 109.97 1qjz n ALA 12 Ca -0.08 0.58 -0.40 0.00 0.00 0.00 0.00 53.44 53.54 1qjz n ALA 12 Cb 0.56 -1.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 1qjz n ALA 12 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qjz s SER 13 N 0.27 6.02 -0.31 0.00 1.04 -1.26 -4.85 113.70 114.62 1qjz s SER 13 Ca 0.90 -0.58 -0.29 0.00 0.48 0.00 0.00 55.95 56.47 1qjz s SER 13 Cb -1.21 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 62.35 1qjz s SER 13 CO 0.56 -1.91 1.30 -0.63 0.98 0.00 0.00 173.24 173.54 1qjz s ILE 14 N 6.41 4.14 0.60 -1.02 1.09 -1.26 -4.83 121.20 126.32 1qjz s ILE 14 Ca 0.45 1.28 0.29 0.00 -1.10 0.00 0.00 60.65 61.58 1qjz s ILE 14 Cb -0.07 -4.17 0.36 0.00 -1.06 0.00 0.00 42.46 37.53 1qjz s ILE 14 CO 0.09 -0.49 2.06 1.55 -0.10 0.00 0.00 174.94 178.05 1qjz h PRO 15 N 9.31 0.00 -6.79 2.79 0.13 -1.92 -3.43 132.00 132.10 1qjz h PRO 15 Ca -0.26 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.38 1qjz h PRO 15 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1qjz h PRO 15 CO 1.04 0.00 0.12 0.00 -0.23 0.00 0.00 178.00 178.93 1qjz s ALA 16 N -4.57 3.31 0.00 -0.56 0.00 -1.26 -4.90 121.76 113.78 1qjz s ALA 16 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1qjz s ALA 16 Cb 0.15 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.49 1qjz s ALA 16 CO 0.52 0.22 0.00 -0.35 0.00 0.00 0.00 175.76 176.15 1qjz n PRO 17 N -0.67 3.12 -3.49 0.00 -0.04 -1.26 0.54 135.00 133.21 1qjz n PRO 17 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1qjz n PRO 17 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 1qjz n PRO 17 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1qjz s GLY 18 N 0.00 -0.80 0.50 0.55 0.00 -0.96 -3.90 107.32 102.72 1qjz s GLY 18 Ca 0.00 2.16 -0.22 0.00 0.00 0.00 0.00 44.72 46.67 1qjz s GLY 18 CO 0.00 3.14 1.19 -1.35 0.00 0.00 0.00 173.10 176.08 1qjz s SER 19 N 2.88 5.86 0.09 1.64 1.04 -1.26 -4.50 113.70 119.44 1qjz s SER 19 Ca 0.03 2.34 0.01 0.00 0.48 0.00 0.00 55.95 58.81 1qjz s SER 19 Cb -0.13 -2.60 -0.00 0.00 0.10 0.00 0.00 66.02 63.39 1qjz s SER 19 CO -0.19 -1.13 0.03 2.30 0.98 0.00 0.00 173.24 175.22 1qjz n ILE 20 N -0.85 0.00 -1.46 -1.02 -0.00 -1.26 -4.94 119.36 109.83 1qjz n ILE 20 Ca 0.09 -0.50 -0.31 0.00 -0.00 0.00 0.00 62.75 62.04 1qjz n ILE 20 Cb 0.48 0.18 0.08 0.00 -0.00 0.00 0.00 39.64 40.38 1qjz n ILE 20 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1qjz s LEU 21 N 0.00 2.92 0.63 7.28 1.43 -1.26 -5.05 118.68 124.63 1qjz s LEU 21 Ca 0.04 1.59 -0.06 0.00 -1.03 0.00 0.00 54.13 54.67 1qjz s LEU 21 Cb 0.00 -4.33 0.03 0.00 0.03 0.00 0.00 46.19 41.92 1qjz s LEU 21 CO 0.03 -1.80 0.94 -0.44 0.23 0.00 0.00 176.35 175.31 1qjz s SER 22 N -3.69 5.32 -0.10 2.29 0.01 -1.26 -5.09 113.70 111.18 1qjz s SER 22 Ca 0.60 0.61 0.02 0.00 1.31 0.00 0.00 55.95 58.49 1qjz s SER 22 Cb -0.15 -1.48 -0.02 0.00 0.21 0.00 0.00 66.02 64.58 1qjz s SER 22 CO 0.55 -1.25 -0.16 -1.58 0.41 0.00 0.00 173.24 171.21 1qjz s GLN 23 N -5.07 3.01 0.07 12.44 2.00 -1.26 -5.13 119.66 125.71 1qjz s GLN 23 Ca 0.56 -0.74 -0.01 0.00 -2.00 0.00 0.00 55.36 53.17 1qjz s GLN 23 Cb -0.11 -2.47 0.02 0.00 0.80 0.00 0.00 33.01 31.25 1qjz s GLN 23 CO 0.45 0.34 0.09 -0.35 -0.50 0.00 0.00 175.29 175.31 1qjz n PRO 24 N 3.13 -0.28 0.00 1.67 -0.04 -1.26 -5.11 135.00 133.11 1qjz n PRO 24 Ca -0.18 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 1qjz n PRO 24 Cb 0.52 -0.09 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 1qjz n PRO 24 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1qjz n ASN 25 N -3.07 0.00 -1.13 3.54 4.05 -1.26 -5.00 115.26 112.39 1qjz n ASN 25 Ca 0.01 0.00 0.13 0.00 0.45 0.00 0.00 54.58 55.17 1qjz n ASN 25 Cb 0.04 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.02 1qjz n ASN 25 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1qjz n THR 26 N 0.00 0.00 -2.06 -0.44 -2.24 -1.26 -4.79 114.28 103.49 1qjz n THR 26 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1qjz n THR 26 Cb 0.00 -0.33 0.02 0.00 -2.10 0.00 0.00 70.33 67.92 1qjz n THR 26 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1qjz s GLU 27 N -1.60 3.31 0.08 -0.78 1.03 -1.26 -5.06 118.70 114.42 1qjz s GLU 27 Ca 0.00 0.49 0.03 0.00 0.03 0.00 0.00 54.97 55.52 1qjz s GLU 27 Cb 0.00 -2.13 -0.04 0.00 -0.80 0.00 0.00 34.13 31.16 1qjz s GLU 27 CO 0.00 -0.65 0.11 -0.65 -1.33 0.00 0.00 175.26 172.74 1qjz s GLN 28 N -5.14 3.00 1.03 -4.83 1.11 -1.26 -5.11 119.66 108.47 1qjz s GLN 28 Ca 0.54 -0.65 -0.12 0.00 0.01 0.00 0.00 55.36 55.14 1qjz s GLN 28 Cb -0.11 -2.79 0.21 0.00 -1.01 0.00 0.00 33.01 29.31 1qjz s GLN 28 CO 0.51 0.57 1.07 -1.54 0.01 0.00 0.00 175.29 175.91 1qjz s SER 29 N -2.48 2.19 0.94 5.90 1.04 -1.26 -5.02 113.70 115.01 1qjz s SER 29 Ca 0.31 1.55 -0.12 0.00 0.48 0.00 0.00 55.95 58.16 1qjz s SER 29 Cb -0.12 -2.23 0.16 0.00 0.10 0.00 0.00 66.02 63.93 1qjz s SER 29 CO 0.23 -3.45 1.11 -2.16 0.98 0.00 0.00 173.24 169.95 1qjz s PRO 30 N -4.70 0.87 0.04 4.02 0.04 -1.26 -4.84 135.00 129.17 1qjz s PRO 30 Ca 0.66 0.46 0.04 0.00 0.04 0.00 0.00 61.00 62.21 1qjz s PRO 30 Cb -0.22 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1qjz s PRO 30 CO 0.60 -2.42 -0.13 0.00 0.04 0.00 0.00 177.00 175.10 1qjz s ALA 31 N -3.09 1.08 -0.08 8.56 0.00 -1.26 -4.37 121.76 122.60 1qjz s ALA 31 Ca 0.64 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.82 1qjz s ALA 31 Cb -0.17 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.82 1qjz s ALA 31 CO 0.56 0.19 -0.14 0.42 0.00 0.00 0.00 175.76 176.79 1qjz s ILE 32 N -0.89 1.30 -1.17 0.00 1.09 -0.47 -4.93 121.20 116.12 1qjz s ILE 32 Ca 0.00 -0.55 -0.14 0.00 -1.10 0.00 0.00 60.65 58.86 1qjz s ILE 32 Cb -0.08 -1.19 0.18 0.00 -1.06 0.00 0.00 42.46 40.31 1qjz s ILE 32 CO 0.01 0.40 1.38 -0.69 -0.10 0.00 0.00 174.94 175.93 1qjz s VAL 33 N 0.80 5.10 -0.08 2.92 1.01 -1.26 -0.57 120.40 128.33 1qjz s VAL 33 Ca -0.11 -2.63 -0.20 0.00 0.00 0.00 0.00 61.98 59.04 1qjz s VAL 33 Cb -0.16 -4.87 -0.04 0.00 0.00 0.00 0.00 36.38 31.31 1qjz s VAL 33 CO 0.02 -1.57 0.56 -0.76 0.00 0.00 0.00 175.10 173.35 1qjz s LEU 34 N 1.40 4.32 0.64 3.92 1.43 -0.35 -4.82 118.68 125.21 1qjz s LEU 34 Ca 0.41 0.99 -0.09 0.00 -1.03 0.00 0.00 54.13 54.41 1qjz s LEU 34 Cb -0.04 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.34 1qjz s LEU 34 CO -0.01 0.00 0.99 -2.16 0.23 0.00 0.00 176.35 175.40 1qjz s PRO 35 N 0.45 2.98 0.01 1.29 0.04 -1.26 0.01 135.00 138.52 1qjz s PRO 35 Ca 0.30 0.27 -0.25 0.00 0.04 0.00 0.00 61.00 61.36 1qjz s PRO 35 Cb -0.16 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.28 1qjz s PRO 35 CO 0.14 -0.81 0.56 -0.59 0.04 0.00 0.00 177.00 176.34 1qjz s PHE 36 N -3.15 -0.49 -0.29 0.56 -0.71 0.81 -4.90 117.98 109.80 1qjz s PHE 36 Ca 0.55 0.70 -0.13 0.00 -1.04 0.00 0.00 56.93 57.01 1qjz s PHE 36 Cb -0.11 0.35 0.12 0.00 -1.21 0.00 0.00 43.02 42.18 1qjz s PHE 36 CO 0.49 -0.61 0.76 -1.14 -1.34 0.00 0.00 175.22 173.37 1qjz s GLN 37 N -1.89 0.54 -0.03 1.99 0.74 -1.26 -1.20 119.66 118.57 1qjz s GLN 37 Ca -0.08 1.18 -0.04 0.00 0.05 0.00 0.00 55.36 56.46 1qjz s GLN 37 Cb -0.01 0.51 0.01 0.00 1.10 0.00 0.00 33.01 34.61 1qjz s GLN 37 CO 0.03 -0.16 0.11 -0.59 -0.55 0.00 0.00 175.29 174.13 1qjz s PHE 38 N 2.29 -0.05 0.13 1.67 -0.12 -0.88 -5.00 117.98 116.03 1qjz s PHE 38 Ca -0.07 0.12 -0.31 0.00 -0.05 0.00 0.00 56.93 56.62 1qjz s PHE 38 Cb -0.08 -0.00 -0.10 0.00 -0.63 0.00 0.00 43.02 42.21 1qjz s PHE 38 CO -0.19 -0.13 1.64 -2.00 -0.05 0.00 0.00 175.22 174.50 1qjz s GLU 39 N -0.43 4.19 -0.16 1.99 2.12 -1.26 -1.73 118.70 123.41 1qjz s GLU 39 Ca -0.05 2.40 -0.15 0.00 0.36 0.00 0.00 54.97 57.52 1qjz s GLU 39 Cb -0.03 -3.36 -0.06 0.00 0.26 0.00 0.00 34.13 30.93 1qjz s GLU 39 CO 0.00 -0.69 -0.31 0.00 -0.54 0.00 0.00 175.26 173.72 1qjz n ALA 40 N 4.77 1.16 -2.30 6.30 0.00 -0.59 -4.88 120.51 124.97 1qjz n ALA 40 Ca 0.15 -0.77 -0.16 0.00 0.00 0.00 0.00 53.44 52.67 1qjz n ALA 40 Cb 0.39 0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 1qjz n ALA 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1qjz s THR 41 N -2.75 0.67 0.00 0.00 2.01 -0.61 -5.01 115.64 109.94 1qjz s THR 41 Ca -0.27 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 59.73 1qjz s THR 41 Cb 0.05 -2.48 0.00 0.00 0.01 0.00 0.00 72.50 70.08 1qjz s THR 41 CO 0.39 -0.16 0.00 0.35 -0.69 0.00 0.00 174.62 174.51 1qjz n THR 42 N -0.41 0.00 0.00 -0.82 -2.24 -1.26 -1.55 114.28 108.00 1qjz n THR 42 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1qjz n THR 42 Cb 0.65 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1qjz n THR 42 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1qjz n PHE 43 N 0.00 0.00 -0.39 4.78 3.01 -1.26 -2.60 117.46 121.00 1qjz n PHE 43 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1qjz n PHE 43 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1qjz n PHE 43 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qjz n GLY 44 N 1.17 1.47 0.01 1.37 0.00 -1.26 -0.84 105.19 107.11 1qjz n GLY 44 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1qjz n GLY 44 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qjz n THR 45 N -2.00 0.02 -4.01 2.61 -1.04 -1.26 -2.00 114.28 106.59 1qjz n THR 45 Ca 0.00 -0.27 0.03 0.00 -2.04 0.00 0.00 64.05 61.77 1qjz n THR 45 Cb 0.00 0.43 0.01 0.00 -1.82 0.00 0.00 70.33 68.95 1qjz n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qjz n ALA 46 N -1.91 -3.35 -2.27 2.41 0.00 -1.26 -4.59 120.51 109.54 1qjz n ALA 46 Ca -0.00 -0.69 -0.43 0.00 0.00 0.00 0.00 53.44 52.32 1qjz n ALA 46 Cb 0.46 0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 1qjz n ALA 46 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1qjz s GLU 47 N -2.01 4.08 -0.33 0.00 2.12 -1.26 -4.13 118.70 117.17 1qjz s GLU 47 Ca 0.28 1.70 -0.06 0.00 0.36 0.00 0.00 54.97 57.25 1qjz s GLU 47 Cb -0.00 -3.89 0.03 0.00 0.26 0.00 0.00 34.13 30.53 1qjz s GLU 47 CO -0.01 -0.93 0.10 0.99 -0.54 0.00 0.00 175.26 174.86 1qjz s THR 48 N 4.12 3.81 -1.34 -1.70 2.01 -0.26 -4.87 115.64 117.41 1qjz s THR 48 Ca 0.62 -1.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.50 1qjz s THR 48 Cb -0.24 -3.12 0.11 0.00 0.01 0.00 0.00 72.50 69.26 1qjz s THR 48 CO 0.22 -0.13 2.28 0.00 -0.69 0.00 0.00 174.62 176.31 1qjz n ALA 49 N 4.82 6.41 -1.97 7.40 0.00 -1.26 -3.42 120.51 132.48 1qjz n ALA 49 Ca -0.13 -4.10 -0.42 0.00 0.00 0.00 0.00 53.44 48.79 1qjz n ALA 49 Cb 0.45 -2.92 -0.03 0.00 0.00 0.00 0.00 19.45 16.96 1qjz n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qjz s ALA 50 N -0.24 3.67 -0.29 0.00 0.00 -0.61 -4.90 121.76 119.39 1qjz s ALA 50 Ca 0.51 1.16 -0.00 0.00 0.00 0.00 0.00 51.96 53.62 1qjz s ALA 50 Cb 0.16 -3.68 0.19 0.00 0.00 0.00 0.00 23.12 19.79 1qjz s ALA 50 CO -0.06 -1.08 0.72 1.14 0.00 0.00 0.00 175.76 176.48 1qjz s GLN 51 N 2.63 0.45 0.05 0.00 -2.07 -1.26 -0.06 119.66 119.40 1qjz s GLN 51 Ca 0.72 0.54 0.05 0.00 -1.82 0.00 0.00 55.36 54.86 1qjz s GLN 51 Cb -0.39 0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 31.77 1qjz s GLN 51 CO 0.31 -0.74 -0.09 0.08 -1.32 0.00 0.00 175.29 173.53 1qjz s VAL 52 N 2.87 3.42 -0.13 3.63 1.01 0.35 -4.97 120.40 126.58 1qjz s VAL 52 Ca 0.15 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 1qjz s VAL 52 Cb -0.09 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.78 1qjz s VAL 52 CO -0.23 0.26 -0.10 -0.94 0.00 0.00 0.00 175.10 174.10 1qjz s SER 53 N -1.77 2.47 0.55 3.32 1.04 -1.26 0.20 113.70 118.25 1qjz s SER 53 Ca 0.19 -0.43 0.29 0.00 0.48 0.00 0.00 55.95 56.48 1qjz s SER 53 Cb -0.11 -0.97 1.46 0.00 0.10 0.00 0.00 66.02 66.50 1qjz s SER 53 CO 0.10 -0.11 1.92 -0.07 0.98 0.00 0.00 173.24 176.07 1qjz h LEU 54 N 8.12 0.00 -1.69 2.42 3.38 -1.74 -1.86 115.31 123.94 1qjz h LEU 54 Ca -0.32 0.00 0.40 0.00 0.09 0.00 0.00 57.88 58.05 1qjz h LEU 54 Cb 1.13 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.79 1qjz h LEU 54 CO 0.45 0.00 0.92 1.56 0.09 0.00 0.00 178.44 181.46 1qjz h GLN 55 N 0.00 0.10 0.00 1.13 1.08 -1.92 0.40 115.11 115.90 1qjz h GLN 55 Ca 0.33 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.49 1qjz h GLN 55 Cb 1.39 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 28.72 1qjz h GLN 55 CO -0.00 0.07 -0.47 0.25 -0.95 0.00 0.00 178.83 177.73 1qjz n THR 56 N -4.38 1.23 -2.21 -0.54 -2.24 -0.72 -4.97 114.28 100.45 1qjz n THR 56 Ca 0.33 -1.87 -0.31 0.00 -2.27 0.00 0.00 64.05 59.93 1qjz n THR 56 Cb 1.37 0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 69.72 1qjz n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qjz s ALA 57 N -1.83 2.00 0.02 6.98 0.00 0.14 -4.88 121.76 124.18 1qjz s ALA 57 Ca 0.28 -1.73 -0.03 0.00 0.00 0.00 0.00 51.96 50.48 1qjz s ALA 57 Cb 0.28 -4.54 -0.01 0.00 0.00 0.00 0.00 23.12 18.85 1qjz s ALA 57 CO -0.05 -4.43 0.22 -0.25 0.00 0.00 0.00 175.76 171.25 1qjz n ASP 58 N 12.36 -0.12 -0.20 0.00 8.00 -1.26 0.12 116.55 135.45 1qjz n ASP 58 Ca 0.37 0.24 0.01 0.00 0.71 0.00 0.00 54.79 56.13 1qjz n ASP 58 Cb 0.48 -0.05 0.12 0.00 -0.02 0.00 0.00 41.12 41.65 1qjz n ASP 58 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1qjz h PRO 59 N 0.00 0.21 -0.13 -0.24 0.11 -1.97 0.54 132.00 130.52 1qjz h PRO 59 Ca 0.02 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.90 1qjz h PRO 59 Cb 0.04 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.11 1qjz h PRO 59 CO -0.10 0.14 -0.76 -0.84 -0.21 0.00 0.00 178.00 176.23 1qjz h ILE 60 N 0.22 1.31 0.00 4.15 3.07 -0.68 -2.74 117.51 122.84 1qjz h ILE 60 Ca 0.33 -2.02 -0.00 0.00 1.55 0.00 0.00 64.86 64.72 1qjz h ILE 60 Cb 0.51 2.01 -0.00 0.00 -0.27 0.00 0.00 36.82 39.07 1qjz h ILE 60 CO -0.45 0.63 -0.00 0.71 -1.05 0.00 0.00 178.15 177.99 1qjz h THR 61 N 0.46 0.02 0.00 0.16 1.35 0.68 0.23 112.91 115.81 1qjz h THR 61 Ca -0.04 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1qjz h THR 61 Cb 1.37 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1qjz h THR 61 CO 0.15 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.71 1qjz n LYS 62 N -3.10 0.43 -0.05 4.72 5.02 0.17 -1.96 118.16 123.40 1qjz n LYS 62 Ca -0.01 0.06 -0.05 0.00 -2.02 0.00 0.00 58.31 56.29 1qjz n LYS 62 Cb 0.22 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.66 1qjz n LYS 62 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1qjz n LEU 63 N -1.18 0.53 0.15 -0.35 4.77 0.73 -4.78 117.00 116.87 1qjz n LEU 63 Ca 0.12 -0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 56.03 1qjz n LEU 63 Cb 0.13 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1qjz n LEU 63 CO 0.14 0.31 0.51 0.71 -1.33 0.00 0.00 177.39 177.74 1qjz h THR 64 N 0.00 0.00 0.00 -5.08 1.35 -0.71 -3.37 112.91 105.10 1qjz h THR 64 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1qjz h THR 64 Cb 1.55 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1qjz h THR 64 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1qjz n ALA 65 N -2.27 0.00 0.14 6.62 0.00 -1.16 -0.22 120.51 123.61 1qjz n ALA 65 Ca -0.05 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.46 1qjz n ALA 65 Cb 0.16 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.98 1qjz n ALA 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qjz n PRO 66 N -3.20 0.09 -4.32 0.00 -0.04 -1.26 -4.56 135.00 121.71 1qjz n PRO 66 Ca 0.00 0.56 -0.17 0.00 -0.04 0.00 0.00 63.50 63.85 1qjz n PRO 66 Cb 0.00 -2.00 -0.10 0.00 -0.04 0.00 0.00 33.50 31.36 1qjz n PRO 66 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1qjz s TYR 67 N -3.29 1.52 -0.31 0.54 2.02 0.69 0.45 117.35 118.97 1qjz s TYR 67 Ca -0.01 -0.88 0.11 0.00 -0.37 0.00 0.00 57.07 55.92 1qjz s TYR 67 Cb 0.04 -0.86 0.47 0.00 -0.40 0.00 0.00 41.96 41.21 1qjz s TYR 67 CO 0.12 -0.00 1.14 2.89 -1.57 0.00 0.00 175.55 178.13 1qjz n ARG 68 N -0.38 2.97 -2.73 -0.62 1.85 0.26 -4.66 116.66 113.35 1qjz n ARG 68 Ca -0.06 -4.00 -0.05 0.00 -1.00 0.00 0.00 57.85 52.74 1qjz n ARG 68 Cb 0.63 -2.04 0.03 0.00 -1.05 0.00 0.00 32.46 30.02 1qjz n ARG 68 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1qjz n HIS 69 N -0.60 -2.94 -3.36 2.89 -0.00 -1.05 -4.25 115.22 105.91 1qjz n HIS 69 Ca 0.32 -1.26 -0.38 0.00 -0.00 0.00 0.00 57.72 56.41 1qjz n HIS 69 Cb 0.87 1.40 -0.06 0.00 -0.00 0.00 0.00 29.99 32.20 1qjz n HIS 69 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1qjz s ALA 70 N 0.81 3.50 -0.09 1.57 0.00 0.24 -1.99 121.76 125.80 1qjz s ALA 70 Ca 0.29 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 1qjz s ALA 70 Cb 0.08 -2.59 0.03 0.00 0.00 0.00 0.00 23.12 20.64 1qjz s ALA 70 CO -0.10 0.00 0.01 -1.14 0.00 0.00 0.00 175.76 174.53 1qjz s GLN 71 N 0.63 0.60 0.17 0.00 0.74 -0.84 -0.07 119.66 120.90 1qjz s GLN 71 Ca 0.24 0.02 -0.31 0.00 0.05 0.00 0.00 55.36 55.36 1qjz s GLN 71 Cb -0.15 -1.17 -0.09 0.00 1.10 0.00 0.00 33.01 32.70 1qjz s GLN 71 CO 0.09 -0.37 1.46 -1.50 -0.55 0.00 0.00 175.29 174.43 1qjz s ILE 72 N 1.96 2.87 0.01 -2.34 2.07 -0.11 -0.72 121.20 124.95 1qjz s ILE 72 Ca 0.04 0.66 -0.16 0.00 -1.41 0.00 0.00 60.65 59.78 1qjz s ILE 72 Cb -0.13 -3.42 -0.35 0.00 0.13 0.00 0.00 42.46 38.69 1qjz s ILE 72 CO -0.06 0.07 0.96 0.58 -1.91 0.00 0.00 174.94 174.58 1qjz h VAL 73 N 3.94 1.27 0.00 4.00 2.07 -0.98 -3.44 116.25 123.11 1qjz h VAL 73 Ca -0.43 -2.67 0.00 0.00 0.82 0.00 0.00 66.70 64.42 1qjz h VAL 73 Cb 1.21 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 34.01 1qjz h VAL 73 CO 0.85 0.81 0.00 -1.84 0.02 0.00 0.00 177.57 177.41 1qjz n GLU 74 N -3.75 -2.35 0.00 1.57 0.00 -1.24 -4.96 120.64 109.90 1qjz n GLU 74 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.98 1qjz n GLU 74 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.52 1qjz n GLU 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1qjz s LYS 76 N -2.00 1.49 -0.07 0.00 -2.85 0.11 -1.31 119.74 115.11 1qjz s LYS 76 Ca 0.00 -1.26 0.03 0.00 -1.00 0.00 0.00 55.97 53.74 1qjz s LYS 76 Cb 0.00 0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 36.20 1qjz s LYS 76 CO 0.00 -0.61 -0.15 0.00 0.10 0.00 0.00 175.35 174.69 1qjz s ALA 77 N -4.02 2.62 -0.12 0.59 0.00 0.94 -1.06 121.76 120.72 1qjz s ALA 77 Ca 0.23 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 1qjz s ALA 77 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1qjz s ALA 77 CO 0.08 0.47 0.02 0.42 0.00 0.00 0.00 175.76 176.75 1qjz s ILE 78 N -0.43 4.45 -0.37 0.00 1.09 0.51 -0.86 121.20 125.59 1qjz s ILE 78 Ca 0.05 -0.18 -0.03 0.00 -1.10 0.00 0.00 60.65 59.39 1qjz s ILE 78 Cb -0.12 -2.92 0.08 0.00 -1.06 0.00 0.00 42.46 38.45 1qjz s ILE 78 CO 0.02 0.56 0.14 -0.76 -0.10 0.00 0.00 174.94 174.80 1qjz s LEU 79 N -0.44 4.79 -0.54 2.97 1.43 -0.22 -1.83 118.68 124.85 1qjz s LEU 79 Ca 0.08 -1.71 -0.10 0.00 -1.03 0.00 0.00 54.13 51.38 1qjz s LEU 79 Cb -0.12 -1.81 0.14 0.00 0.03 0.00 0.00 46.19 44.43 1qjz s LEU 79 CO 0.02 -0.45 0.43 -0.89 0.23 0.00 0.00 176.35 175.69 1qjz s THR 80 N 1.21 4.46 0.25 5.49 2.01 0.17 -2.32 115.64 126.91 1qjz s THR 80 Ca 0.03 -1.95 -0.30 0.00 0.31 0.00 0.00 61.69 59.78 1qjz s THR 80 Cb -0.22 -3.90 -0.11 0.00 0.01 0.00 0.00 72.50 68.29 1qjz s THR 80 CO -0.02 -0.83 1.51 -2.84 -0.69 0.00 0.00 174.62 171.75 1qjz s PRO 81 N 1.10 4.21 0.46 4.92 0.02 -1.26 -0.88 135.00 143.58 1qjz s PRO 81 Ca 0.08 2.40 -0.05 0.00 0.02 0.00 0.00 61.00 63.46 1qjz s PRO 81 Cb -0.24 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 1qjz s PRO 81 CO -0.01 -0.52 0.76 0.99 -0.33 0.00 0.00 177.00 177.88 1qjz s THR 82 N 0.18 4.93 0.55 0.99 2.01 0.10 -4.89 115.64 119.51 1qjz s THR 82 Ca 0.62 0.13 0.37 0.00 0.31 0.00 0.00 61.69 63.13 1qjz s THR 82 Cb -0.44 -3.86 0.56 0.00 0.01 0.00 0.00 72.50 68.77 1qjz s THR 82 CO 0.43 -0.81 1.79 0.44 -0.69 0.00 0.00 174.62 175.78 1qjz h ASP 83 N 0.31 0.00 -0.09 3.53 5.19 -1.89 0.74 116.42 124.20 1qjz h ASP 83 Ca -0.47 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.92 1qjz h ASP 83 Cb 1.21 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.71 1qjz h ASP 83 CO 0.62 0.00 -0.01 0.25 -3.12 0.00 0.00 179.24 176.98 1qjz h LEU 84 N 0.00 0.17 -1.98 1.55 7.12 -1.85 -3.15 115.31 117.17 1qjz h LEU 84 Ca 0.58 -0.33 0.24 0.00 0.13 0.00 0.00 57.88 58.50 1qjz h LEU 84 Cb 2.34 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 42.39 1qjz h LEU 84 CO -0.01 0.45 0.62 0.00 -0.13 0.00 0.00 178.44 179.38 1qjz h ALA 85 N 0.72 2.75 -0.07 1.25 0.00 -0.44 0.27 119.26 123.74 1qjz h ALA 85 Ca 0.03 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1qjz h ALA 85 Cb 0.37 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1qjz h ALA 85 CO 0.01 -1.04 -0.52 -0.24 0.00 0.00 0.00 179.25 177.46 1qjz h VAL 86 N 0.00 0.03 0.06 0.00 3.04 -1.58 -1.20 116.25 116.60 1qjz h VAL 86 Ca 0.39 0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 65.83 1qjz h VAL 86 Cb 1.62 0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.92 1qjz h VAL 86 CO -0.00 0.00 -1.25 0.77 -1.01 0.00 0.00 177.57 176.08 1qjz h SER 87 N -0.61 0.21 -3.61 3.17 4.64 -1.61 0.22 113.55 115.95 1qjz h SER 87 Ca 0.03 -0.25 -0.70 0.00 -0.47 0.00 0.00 61.79 60.41 1qjz h SER 87 Cb 0.69 -0.07 -0.36 0.00 -0.31 0.00 0.00 62.40 62.36 1qjz h SER 87 CO -0.39 1.20 -0.20 0.20 -0.87 0.00 0.00 176.83 176.76 1qjz s ASN 88 N -6.84 5.70 1.14 4.97 -0.87 0.89 -4.78 114.94 115.15 1qjz s ASN 88 Ca -0.03 -3.44 -0.13 0.00 -1.57 0.00 0.00 52.86 47.70 1qjz s ASN 88 Cb 0.08 -1.88 0.27 0.00 -0.02 0.00 0.00 41.25 39.70 1qjz s ASN 88 CO 0.85 -0.24 1.04 -2.16 -2.57 0.00 0.00 177.10 174.01 1qjz s PRO 89 N -0.92 -0.72 -0.15 -0.60 0.04 -0.51 -3.81 135.00 128.33 1qjz s PRO 89 Ca 0.24 0.87 -0.30 0.00 0.04 0.00 0.00 61.00 61.85 1qjz s PRO 89 Cb -0.11 -1.57 0.12 0.00 0.04 0.00 0.00 34.50 32.97 1qjz s PRO 89 CO -0.10 -3.60 0.97 -0.48 0.04 0.00 0.00 177.00 173.83 1qjz s LEU 90 N -7.13 -0.39 -0.46 -3.56 2.34 -0.94 -4.95 118.68 103.58 1qjz s LEU 90 Ca 0.68 0.43 -0.15 0.00 0.06 0.00 0.00 54.13 55.14 1qjz s LEU 90 Cb -0.24 1.92 0.06 0.00 -0.56 0.00 0.00 46.19 47.37 1qjz s LEU 90 CO 0.64 -0.37 0.39 -0.89 -1.06 0.00 0.00 176.35 175.06 1qjz s THR 91 N -1.13 5.23 -0.10 5.48 2.01 -1.26 -0.27 115.64 125.60 1qjz s THR 91 Ca -0.02 -0.99 -0.15 0.00 0.31 0.00 0.00 61.69 60.84 1qjz s THR 91 Cb -0.00 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 1qjz s THR 91 CO 0.02 -0.54 0.36 -0.69 -0.69 0.00 0.00 174.62 173.08 1qjz s VAL 92 N 1.67 5.21 0.26 3.82 1.01 0.39 -4.44 120.40 128.33 1qjz s VAL 92 Ca 0.04 0.71 0.06 0.00 0.00 0.00 0.00 61.98 62.79 1qjz s VAL 92 Cb -0.23 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1qjz s VAL 92 CO 0.07 0.44 0.33 -0.31 0.00 0.00 0.00 175.10 175.64 1qjz s TYR 93 N 0.00 3.28 -0.13 5.22 1.51 0.16 -0.10 117.35 127.29 1qjz s TYR 93 Ca 0.21 -0.09 -0.30 0.00 -1.01 0.00 0.00 57.07 55.88 1qjz s TYR 93 Cb -0.14 -1.61 0.10 0.00 -0.11 0.00 0.00 41.96 40.19 1qjz s TYR 93 CO 0.08 0.37 0.84 -1.17 -1.11 0.00 0.00 175.55 174.57 1qjz s LEU 94 N -3.98 -0.53 -0.08 -1.29 2.96 -0.17 -2.42 118.68 113.18 1qjz s LEU 94 Ca 0.36 0.65 -0.30 0.00 -0.22 0.00 0.00 54.13 54.62 1qjz s LEU 94 Cb -0.09 2.20 0.10 0.00 0.50 0.00 0.00 46.19 48.90 1qjz s LEU 94 CO 0.28 -0.44 0.85 0.00 -1.32 0.00 0.00 176.35 175.73 1qjz s ALA 95 N -0.93 -1.84 -0.27 5.97 0.00 0.26 -0.30 121.76 124.65 1qjz s ALA 95 Ca -0.05 1.34 0.02 0.00 0.00 0.00 0.00 51.96 53.28 1qjz s ALA 95 Cb -0.01 -0.21 0.06 0.00 0.00 0.00 0.00 23.12 22.97 1qjz s ALA 95 CO 0.05 -0.41 -0.09 -1.58 0.00 0.00 0.00 175.76 173.72 1qjz s TRP 96 N -1.60 3.29 0.09 0.00 0.23 -1.26 -0.39 118.94 119.30 1qjz s TRP 96 Ca -0.04 -2.30 0.04 0.00 -2.03 0.00 0.00 56.10 51.77 1qjz s TRP 96 Cb -0.00 -1.99 -0.03 0.00 0.03 0.00 0.00 33.47 31.47 1qjz s TRP 96 CO 0.02 -0.87 -0.11 0.14 0.96 0.00 0.00 176.95 177.09 1qjz s VAL 97 N 1.11 0.96 0.42 4.03 -7.23 -0.07 -4.95 120.40 114.67 1qjz s VAL 97 Ca -0.08 -1.58 -0.24 0.00 -1.81 0.00 0.00 61.98 58.27 1qjz s VAL 97 Cb -0.20 -1.30 -0.08 0.00 0.56 0.00 0.00 36.38 35.36 1qjz s VAL 97 CO -0.05 -0.50 1.13 -2.16 -0.31 0.00 0.00 175.10 173.21 1qjz s PRO 98 N -2.60 3.99 0.00 4.82 0.04 -1.26 0.07 135.00 140.06 1qjz s PRO 98 Ca 0.04 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1qjz s PRO 98 Cb -0.04 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1qjz s PRO 98 CO 0.01 -0.34 0.00 0.00 0.04 0.00 0.00 177.00 176.70 1qjz n ALA 99 N -0.15 1.11 -0.01 8.56 0.00 0.99 -0.38 120.51 130.64 1qjz n ALA 99 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 1qjz n ALA 99 Cb 0.48 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 1qjz n ALA 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qjz n ASN 100 N -0.24 4.35 -4.63 0.00 3.02 -1.26 -4.95 115.26 111.56 1qjz n ASN 100 Ca 0.00 -0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.09 1qjz n ASN 100 Cb 0.00 0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 39.61 1qjz n ASN 100 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1qjz n SER 101 N -2.15 3.37 -4.40 6.41 2.88 0.49 -4.79 113.62 115.44 1qjz n SER 101 Ca -0.04 0.71 -0.35 0.00 -1.33 0.00 0.00 58.87 57.86 1qjz n SER 101 Cb 0.57 -1.43 -0.04 0.00 -0.75 0.00 0.00 64.21 62.56 1qjz n SER 101 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1qjz n PRO 102 N 7.52 2.01 -3.83 -1.46 -0.02 -1.26 -4.83 135.00 133.14 1qjz n PRO 102 Ca 0.26 -2.57 -0.25 0.00 -2.02 0.00 0.00 63.50 58.92 1qjz n PRO 102 Cb 0.34 -3.54 -0.17 0.00 -0.02 0.00 0.00 33.50 30.11 1qjz n PRO 102 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qjz s ALA 103 N 8.22 0.98 0.30 3.55 0.00 -1.26 -5.10 121.76 128.45 1qjz s ALA 103 Ca 0.62 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 52.16 1qjz s ALA 103 Cb 0.03 -0.84 -0.07 0.00 0.00 0.00 0.00 23.12 22.25 1qjz s ALA 103 CO 0.11 -0.48 0.63 0.95 0.00 0.00 0.00 175.76 176.98 1qjz s THR 104 N 1.86 4.88 0.38 0.00 -4.23 -1.26 -4.94 115.64 112.32 1qjz s THR 104 Ca 0.05 0.47 0.22 0.00 -1.18 0.00 0.00 61.69 61.25 1qjz s THR 104 Cb -0.13 -3.67 0.37 0.00 1.34 0.00 0.00 72.50 70.41 1qjz s THR 104 CO -0.07 -0.27 1.59 -0.65 -0.54 0.00 0.00 174.62 174.69 1qjz h PRO 105 N 1.95 0.04 -0.30 3.99 0.11 -1.87 0.47 132.00 136.39 1qjz h PRO 105 Ca -0.47 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1qjz h PRO 105 Cb 1.18 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1qjz h PRO 105 CO 0.66 0.03 0.10 1.79 -0.21 0.00 0.00 178.00 180.37 1qjz h THR 106 N 0.04 1.20 0.00 -1.15 1.35 -1.92 -2.54 112.91 109.89 1qjz h THR 106 Ca 0.84 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1qjz h THR 106 Cb 2.26 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.73 1qjz h THR 106 CO -0.71 0.22 0.00 0.00 -0.25 0.00 0.00 175.52 174.78 1qjz n GLN 107 N -4.70 0.40 -0.25 4.72 6.02 0.16 -3.94 117.38 119.79 1qjz n GLN 107 Ca -0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.89 1qjz n GLN 107 Cb 0.16 -1.37 -0.04 0.00 1.02 0.00 0.00 30.24 30.02 1qjz n GLN 107 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1qjz h ILE 108 N 0.00 0.06 -0.61 5.09 1.08 -1.43 0.57 117.51 122.27 1qjz h ILE 108 Ca 0.00 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.64 1qjz h ILE 108 Cb 0.00 0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 33.78 1qjz h ILE 108 CO 0.00 0.00 0.43 -0.07 -0.69 0.00 0.00 178.15 177.82 1qjz h LEU 109 N -0.18 0.07 -0.10 1.44 3.38 -1.84 -0.36 115.31 117.72 1qjz h LEU 109 Ca 0.19 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.01 1qjz h LEU 109 Cb 0.55 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1qjz h LEU 109 CO -0.76 0.04 -0.77 0.03 0.09 0.00 0.00 178.44 177.07 1qjz h ARG 110 N 0.07 0.00 -6.35 1.13 3.08 -0.19 -3.42 114.38 108.71 1qjz h ARG 110 Ca 0.29 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.80 1qjz h ARG 110 Cb 1.06 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.08 1qjz h ARG 110 CO -0.02 0.77 0.17 0.54 -1.07 0.00 0.00 179.97 180.35 1qjz s VAL 111 N -2.90 4.65 -0.86 2.04 0.11 -0.15 -4.92 120.40 118.38 1qjz s VAL 111 Ca 0.02 1.66 -0.20 0.00 -2.93 0.00 0.00 61.98 60.52 1qjz s VAL 111 Cb 0.09 -4.12 -0.22 0.00 -1.53 0.00 0.00 36.38 30.60 1qjz s VAL 111 CO 0.78 0.40 2.35 0.00 -3.33 0.00 0.00 175.10 175.30 1qjz n TYR 112 N 2.56 0.68 0.00 1.54 9.36 -1.26 -0.81 117.16 129.23 1qjz n TYR 112 Ca -0.03 0.06 0.00 0.00 3.32 0.00 0.00 57.90 61.25 1qjz n TYR 112 Cb 0.50 -1.79 0.00 0.00 -0.63 0.00 0.00 39.34 37.42 1qjz n TYR 112 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1qjz n GLY 113 N 6.18 0.66 1.33 2.98 0.00 -1.26 -4.60 105.19 110.48 1qjz n GLY 113 Ca 0.56 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.38 1qjz n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qjz n GLY 114 N 0.00 -0.13 3.60 -0.02 0.00 0.01 -4.30 105.19 104.35 1qjz n GLY 114 Ca 0.00 0.45 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 1qjz n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qjz s GLN 115 N 2.98 3.85 -0.17 1.61 -1.52 0.59 -4.83 119.66 122.17 1qjz s GLN 115 Ca 0.51 0.34 -0.14 0.00 -1.95 0.00 0.00 55.36 54.12 1qjz s GLN 115 Cb -0.54 -3.76 -0.05 0.00 -0.22 0.00 0.00 33.01 28.44 1qjz s GLN 115 CO 0.23 -0.68 0.30 0.45 -0.25 0.00 0.00 175.29 175.33 1qjz s SER 116 N 1.69 6.42 -0.04 5.90 0.15 -1.26 -1.00 113.70 125.57 1qjz s SER 116 Ca 0.28 0.49 -0.12 0.00 0.70 0.00 0.00 55.95 57.30 1qjz s SER 116 Cb -0.14 -2.18 0.02 0.00 -1.71 0.00 0.00 66.02 62.00 1qjz s SER 116 CO 0.13 0.08 0.27 -0.36 1.20 0.00 0.00 173.24 174.57 1qjz s PHE 117 N 0.57 -0.18 -0.07 3.44 0.08 0.85 -5.01 117.98 117.67 1qjz s PHE 117 Ca 0.16 0.33 0.02 0.00 0.12 0.00 0.00 56.93 57.57 1qjz s PHE 117 Cb -0.13 0.07 0.01 0.00 -0.57 0.00 0.00 43.02 42.40 1qjz s PHE 117 CO 0.04 -0.31 -0.14 0.54 -0.10 0.00 0.00 175.22 175.26 1qjz s VAL 118 N -0.93 1.25 -0.02 -0.44 0.11 -1.26 0.15 120.40 119.26 1qjz s VAL 118 Ca -0.10 -0.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 1qjz s VAL 118 Cb -0.05 -1.13 -0.04 0.00 -1.53 0.00 0.00 36.38 33.64 1qjz s VAL 118 CO 0.03 0.38 0.01 -0.76 -3.33 0.00 0.00 175.10 171.43 1qjz s LEU 119 N 0.63 3.56 0.00 2.54 1.43 0.63 -4.81 118.68 122.66 1qjz s LEU 119 Ca -0.15 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1qjz s LEU 119 Cb -0.16 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1qjz s LEU 119 CO 0.04 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.53 1qjz n GLY 120 N 1.54 -1.08 5.32 -3.19 0.00 0.11 -2.22 105.19 105.67 1qjz n GLY 120 Ca -0.15 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1qjz n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qjz n GLY 121 N -0.81 1.25 3.81 -0.02 0.00 0.06 -4.66 105.19 104.82 1qjz n GLY 121 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1qjz n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjz s ALA 122 N -0.60 2.33 0.30 4.61 0.00 -1.26 -4.96 121.76 122.17 1qjz s ALA 122 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.51 1qjz s ALA 122 Cb 0.00 -3.12 -0.13 0.00 0.00 0.00 0.00 23.12 19.87 1qjz s ALA 122 CO 0.00 -1.64 1.35 -0.89 0.00 0.00 0.00 175.76 174.58 1qjz n ILE 123 N -3.38 1.52 -0.50 0.00 2.08 -1.26 -2.01 119.36 115.81 1qjz n ILE 123 Ca 0.07 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 63.00 1qjz n ILE 123 Cb 0.56 -1.55 0.00 0.00 -0.75 0.00 0.00 39.64 37.90 1qjz n ILE 123 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1qjz n SER 124 N 1.42 -0.29 0.00 4.38 7.64 -1.26 -4.73 113.62 120.78 1qjz n SER 124 Ca 0.08 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.00 1qjz n SER 124 Cb 0.34 -2.41 0.25 0.00 -1.01 0.00 0.00 64.21 61.38 1qjz n SER 124 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qjz n ALA 125 N 1.00 1.76 -0.16 -0.43 0.00 -0.85 -1.38 120.51 120.45 1qjz n ALA 125 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 1qjz n ALA 125 Cb 0.02 -1.14 -0.00 0.00 0.00 0.00 0.00 19.45 18.33 1qjz n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qjz h ALA 126 N 2.52 0.65 -2.84 0.00 0.00 -1.85 0.31 119.26 118.06 1qjz h ALA 126 Ca 0.00 -0.35 -0.56 0.00 0.00 0.00 0.00 54.91 54.00 1qjz h ALA 126 Cb 0.02 -0.17 0.17 0.00 0.00 0.00 0.00 17.79 17.81 1qjz h ALA 126 CO 0.00 0.57 0.21 1.17 0.00 0.00 0.00 179.25 181.21 1qjz n LYS 127 N -4.21 0.76 -3.34 0.00 3.00 -0.48 -4.54 118.16 109.34 1qjz n LYS 127 Ca 0.00 0.31 -0.38 0.00 -0.00 0.00 0.00 58.31 58.24 1qjz n LYS 127 Cb 0.40 -2.29 -0.06 0.00 0.00 0.00 0.00 35.03 33.09 1qjz n LYS 127 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1qjz s THR 128 N -1.63 4.94 -0.04 3.15 -4.23 -1.26 -4.76 115.64 111.81 1qjz s THR 128 Ca 0.77 1.05 0.00 0.00 -1.18 0.00 0.00 61.69 62.34 1qjz s THR 128 Cb -0.37 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.60 1qjz s THR 128 CO 0.47 0.50 -0.03 -0.63 -0.54 0.00 0.00 174.62 174.39 1qjz s ILE 129 N -0.63 4.03 -0.23 2.99 1.09 -0.98 -4.73 121.20 122.74 1qjz s ILE 129 Ca 0.27 -0.48 -0.01 0.00 -1.10 0.00 0.00 60.65 59.33 1qjz s ILE 129 Cb -0.18 -2.72 0.02 0.00 -1.06 0.00 0.00 42.46 38.53 1qjz s ILE 129 CO 0.15 0.51 -0.09 -1.61 -0.10 0.00 0.00 174.94 173.80 1qjz s GLU 130 N -1.13 2.91 -0.26 2.79 2.02 -0.76 -1.05 118.70 123.20 1qjz s GLU 130 Ca 0.15 -0.92 -0.03 0.00 0.02 0.00 0.00 54.97 54.20 1qjz s GLU 130 Cb -0.11 -2.89 0.02 0.00 0.10 0.00 0.00 34.13 31.25 1qjz s GLU 130 CO 0.05 -0.34 -0.03 0.08 0.02 0.00 0.00 175.26 175.04 1qjz s VAL 131 N 1.32 3.12 0.38 2.63 1.01 -0.04 -1.17 120.40 127.66 1qjz s VAL 131 Ca 0.01 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 60.77 1qjz s VAL 131 Cb -0.16 -2.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.53 1qjz s VAL 131 CO -0.06 0.15 1.03 -2.16 0.00 0.00 0.00 175.10 174.06 1qjz s PRO 132 N 1.36 4.25 -0.86 2.72 0.04 -1.26 -0.04 135.00 141.22 1qjz s PRO 132 Ca 0.00 1.47 -0.09 0.00 0.04 0.00 0.00 61.00 62.43 1qjz s PRO 132 Cb -0.17 -2.59 0.22 0.00 0.04 0.00 0.00 34.50 32.00 1qjz s PRO 132 CO -0.03 -0.05 0.77 -1.17 0.04 0.00 0.00 177.00 176.56 1qjz s LEU 133 N -2.53 6.15 -0.74 -3.56 0.20 -0.43 -4.67 118.68 113.10 1qjz s LEU 133 Ca 0.56 -3.09 -0.24 0.00 0.69 0.00 0.00 54.13 52.06 1qjz s LEU 133 Cb -0.21 -2.08 -0.18 0.00 -0.43 0.00 0.00 46.19 43.28 1qjz s LEU 133 CO 0.27 -0.40 1.88 0.59 -0.29 0.00 0.00 176.35 178.39 1qjz n ASN 134 N 3.33 2.36 0.00 3.68 3.02 -1.26 -4.46 115.26 121.93 1qjz n ASN 134 Ca 0.16 -2.65 0.00 0.00 -0.03 0.00 0.00 54.58 52.06 1qjz n ASN 134 Cb 0.42 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 1qjz n ASN 134 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1qjz n LEU 135 N 9.15 0.00 -4.48 3.41 7.99 -1.26 -4.49 117.00 127.32 1qjz n LEU 135 Ca 0.48 0.00 -0.45 0.00 -0.01 0.00 0.00 56.01 56.03 1qjz n LEU 135 Cb 0.42 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.65 1qjz n LEU 135 CO 0.99 0.00 1.95 0.47 -1.51 0.00 0.00 177.39 179.29 1qjz n ASP 136 N 0.00 1.74 0.00 -1.43 9.92 -1.26 -1.54 116.55 123.98 1qjz n ASP 136 Ca 0.00 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1qjz n ASP 136 Cb 0.00 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.22 1qjz n ASP 136 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1qjz n SER 137 N 11.39 0.00 -1.73 -2.24 2.88 0.19 -4.65 113.62 119.45 1qjz n SER 137 Ca 0.46 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1qjz n SER 137 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1qjz n SER 137 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1qjz n VAL 138 N 0.00 0.00 -3.32 2.46 0.24 -0.59 -4.38 118.33 112.74 1qjz n VAL 138 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.91 1qjz n VAL 138 Cb 0.00 -0.28 -0.08 0.00 -1.47 0.00 0.00 33.84 32.01 1qjz n VAL 138 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1qjz s ASN 139 N -0.81 6.35 0.50 -1.34 -0.87 0.24 -2.26 114.94 116.77 1qjz s ASN 139 Ca 0.00 0.42 0.30 0.00 -1.57 0.00 0.00 52.86 52.01 1qjz s ASN 139 Cb 0.00 -2.24 1.63 0.00 -0.02 0.00 0.00 41.25 40.62 1qjz s ASN 139 CO 0.00 -0.21 1.90 -0.09 -2.57 0.00 0.00 177.10 176.13 1qjz h ARG 140 N 8.01 0.00 -6.79 -0.60 2.43 -1.86 -3.41 114.38 112.16 1qjz h ARG 140 Ca -0.31 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.37 1qjz h ARG 140 Cb 1.15 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1qjz h ARG 140 CO 0.68 0.00 0.11 -1.64 -1.51 0.00 0.00 179.97 177.61 1qjz s MET 141 N -3.82 3.89 0.00 0.20 -1.94 -1.26 -0.94 119.30 115.43 1qjz s MET 141 Ca -0.03 0.57 0.00 0.00 -1.71 0.00 0.00 55.69 54.52 1qjz s MET 141 Cb 0.09 -2.41 0.00 0.00 2.01 0.00 0.00 34.83 34.52 1qjz s MET 141 CO 0.27 0.06 0.00 -0.11 -0.01 0.00 0.00 175.02 175.23 1qjz n LEU 142 N -0.84 0.00 -3.64 -0.03 7.94 0.90 -4.71 117.00 116.62 1qjz n LEU 142 Ca 0.03 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.87 1qjz n LEU 142 Cb 0.54 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.42 1qjz n LEU 142 CO 0.45 0.00 0.46 -0.75 -1.11 0.00 0.00 177.39 176.44 1qjz s LYS 143 N -1.09 0.62 0.00 1.96 2.20 0.78 -4.86 119.74 119.36 1qjz s LYS 143 Ca 0.00 1.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1qjz s LYS 143 Cb 0.00 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1qjz s LYS 143 CO 0.00 -0.12 0.00 -0.40 -0.36 0.00 0.00 175.35 174.47 1qjz n ASP 144 N 3.97 0.00 -0.36 1.43 5.75 -1.26 0.81 116.55 126.89 1qjz n ASP 144 Ca -0.19 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 54.69 1qjz n ASP 144 Cb 0.58 0.00 0.27 0.00 -1.03 0.00 0.00 41.12 40.94 1qjz n ASP 144 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1qjz h SER 145 N 0.00 0.87 -2.18 -1.12 0.02 -2.03 -3.42 113.55 105.69 1qjz h SER 145 Ca 0.00 0.07 -0.57 0.00 -0.84 0.00 0.00 61.79 60.45 1qjz h SER 145 Cb 0.00 -0.10 -0.11 0.00 0.14 0.00 0.00 62.40 62.34 1qjz h SER 145 CO 0.00 0.40 -0.67 -0.69 -1.14 0.00 0.00 176.83 174.74 1qjz s VAL 146 N -5.92 3.16 -0.13 2.27 1.01 -1.26 -5.12 120.40 114.41 1qjz s VAL 146 Ca -0.12 -2.03 -0.06 0.00 0.00 0.00 0.00 61.98 59.77 1qjz s VAL 146 Cb 0.23 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1qjz s VAL 146 CO 0.81 -0.37 0.09 0.42 0.00 0.00 0.00 175.10 176.04 1qjz s THR 147 N -2.38 5.03 0.60 3.92 -4.23 -1.26 -4.85 115.64 112.46 1qjz s THR 147 Ca 0.31 0.04 0.07 0.00 -1.18 0.00 0.00 61.69 60.93 1qjz s THR 147 Cb -0.06 -3.20 0.09 0.00 1.34 0.00 0.00 72.50 70.68 1qjz s THR 147 CO 0.19 0.57 0.82 -0.31 -0.54 0.00 0.00 174.62 175.35 1qjz s TYR 148 N -0.58 1.58 -0.19 3.99 2.02 -1.26 -5.06 117.35 117.84 1qjz s TYR 148 Ca 0.11 -0.58 -0.00 0.00 -0.37 0.00 0.00 57.07 56.23 1qjz s TYR 148 Cb -0.12 -2.42 -0.12 0.00 -0.40 0.00 0.00 41.96 38.90 1qjz s TYR 148 CO 0.02 -1.23 -0.18 0.25 -1.57 0.00 0.00 175.55 172.84 1qjz n THR 149 N -2.36 1.10 -0.63 -0.71 -2.24 -1.26 -4.64 114.28 103.54 1qjz n THR 149 Ca 0.15 -0.40 -0.06 0.00 -2.27 0.00 0.00 64.05 61.47 1qjz n THR 149 Cb 0.61 -1.27 -0.08 0.00 -2.10 0.00 0.00 70.33 67.49 1qjz n THR 149 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1qjz n ASP 150 N -3.20 4.19 -4.86 3.42 9.92 -1.26 -3.58 116.55 121.17 1qjz n ASP 150 Ca -0.35 -2.21 -0.31 0.00 -0.53 0.00 0.00 54.79 51.39 1qjz n ASP 150 Cb 0.85 -1.03 -0.01 0.00 -0.64 0.00 0.00 41.12 40.29 1qjz n ASP 150 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1qjz s THR 151 N 1.01 4.67 0.34 -3.53 -4.23 -1.26 0.83 115.64 113.47 1qjz s THR 151 Ca 0.32 0.93 -0.25 0.00 -1.18 0.00 0.00 61.69 61.51 1qjz s THR 151 Cb 0.15 -3.81 -0.10 0.00 1.34 0.00 0.00 72.50 70.08 1qjz s THR 151 CO 0.00 -0.92 0.95 -2.16 -0.54 0.00 0.00 174.62 171.95 1qjz s PRO 152 N -4.67 4.50 -0.19 3.99 0.04 -1.26 -0.01 135.00 137.40 1qjz s PRO 152 Ca 0.56 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 1qjz s PRO 152 Cb -0.11 -2.69 0.05 0.00 0.04 0.00 0.00 34.50 31.80 1qjz s PRO 152 CO 0.44 0.20 -0.01 0.15 0.04 0.00 0.00 177.00 177.82 1qjz s LYS 153 N -2.25 1.08 -0.12 4.56 1.02 0.11 -1.83 119.74 122.31 1qjz s LYS 153 Ca 0.53 -0.57 -0.22 0.00 0.02 0.00 0.00 55.97 55.73 1qjz s LYS 153 Cb -0.17 -2.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1qjz s LYS 153 CO 0.22 -0.57 0.66 -1.17 -0.92 0.00 0.00 175.35 173.58 1qjz s LEU 154 N 1.69 4.25 0.00 3.17 1.98 0.54 -0.89 118.68 129.42 1qjz s LEU 154 Ca -0.02 1.04 0.02 0.00 -2.89 0.00 0.00 54.13 52.28 1qjz s LEU 154 Cb -0.17 -2.99 -0.01 0.00 0.66 0.00 0.00 46.19 43.68 1qjz s LEU 154 CO -0.07 -0.18 -0.06 -1.48 -1.89 0.00 0.00 176.35 172.68 1qjz s LEU 155 N 1.24 2.05 0.24 -0.68 2.34 0.48 0.13 118.68 124.47 1qjz s LEU 155 Ca 0.34 -0.16 -0.11 0.00 0.06 0.00 0.00 54.13 54.26 1qjz s LEU 155 Cb -0.17 -0.25 -0.01 0.00 -0.56 0.00 0.00 46.19 45.20 1qjz s LEU 155 CO 0.14 0.02 0.41 0.00 -1.06 0.00 0.00 176.35 175.87 1qjz s ALA 156 N -0.31 0.01 0.11 1.48 0.00 0.91 0.90 121.76 124.85 1qjz s ALA 156 Ca 0.00 -1.02 -0.25 0.00 0.00 0.00 0.00 51.96 50.69 1qjz s ALA 156 Cb -0.03 1.12 0.07 0.00 0.00 0.00 0.00 23.12 24.28 1qjz s ALA 156 CO -0.00 -0.80 0.64 -0.47 0.00 0.00 0.00 175.76 175.12 1qjz s TYR 157 N -4.04 -0.55 -0.28 0.00 6.14 -1.01 -1.57 117.35 116.04 1qjz s TYR 157 Ca 0.25 0.47 -0.23 0.00 0.64 0.00 0.00 57.07 58.20 1qjz s TYR 157 Cb 0.01 0.53 0.11 0.00 0.42 0.00 0.00 41.96 43.02 1qjz s TYR 157 CO 0.09 -0.78 0.91 -1.54 0.64 0.00 0.00 175.55 174.87 1qjz s SER 158 N -2.43 -0.59 0.91 4.32 1.04 -1.22 0.40 113.70 116.14 1qjz s SER 158 Ca -0.01 1.09 -0.14 0.00 0.48 0.00 0.00 55.95 57.36 1qjz s SER 158 Cb -0.01 1.13 0.16 0.00 0.10 0.00 0.00 66.02 67.41 1qjz s SER 158 CO -0.08 -0.18 1.27 0.00 0.98 0.00 0.00 173.24 175.23 1qjz s ARG 159 N 0.51 1.03 0.30 4.02 1.04 -1.26 -1.11 118.95 123.49 1qjz s ARG 159 Ca -0.00 -0.29 -0.29 0.00 -1.04 0.00 0.00 55.73 54.11 1qjz s ARG 159 Cb -0.05 -1.89 -0.10 0.00 -2.04 0.00 0.00 34.95 30.87 1qjz s ARG 159 CO -0.06 -2.16 1.29 0.00 -0.04 0.00 0.00 175.30 174.32 1qjz s ALA 160 N -3.78 3.50 0.77 7.88 0.00 -1.26 -4.44 121.76 124.43 1qjz s ALA 160 Ca 0.70 1.19 -0.11 0.00 0.00 0.00 0.00 51.96 53.74 1qjz s ALA 160 Cb -0.06 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.65 1qjz s ALA 160 CO 0.52 -0.56 1.09 -2.14 0.00 0.00 0.00 175.76 174.67 1qjz s PRO 161 N -1.43 2.29 0.25 0.00 0.02 -1.26 -4.90 135.00 129.96 1qjz s PRO 161 Ca 0.50 0.64 -0.04 0.00 0.02 0.00 0.00 61.00 62.11 1qjz s PRO 161 Cb -0.38 -1.94 0.36 0.00 0.02 0.00 0.00 34.50 32.56 1qjz s PRO 161 CO 0.49 -1.48 1.86 1.79 -0.33 0.00 0.00 177.00 179.32 1qjz h THR 162 N -0.99 1.04 -3.56 0.99 1.35 -1.95 -3.28 112.91 106.51 1qjz h THR 162 Ca -0.46 -0.35 -0.68 0.00 -0.55 0.00 0.00 66.41 64.37 1qjz h THR 162 Cb 1.26 -0.06 -0.36 0.00 -1.73 0.00 0.00 68.15 67.26 1qjz h THR 162 CO 0.60 0.19 -0.61 0.21 -0.25 0.00 0.00 175.52 175.65 1qjz s ASN 163 N -5.79 5.08 -1.13 5.36 3.04 -1.26 -4.99 114.94 115.25 1qjz s ASN 163 Ca -0.13 -2.05 -0.24 0.00 0.04 0.00 0.00 52.86 50.48 1qjz s ASN 163 Cb 0.19 -1.76 -0.11 0.00 -1.54 0.00 0.00 41.25 38.03 1qjz s ASN 163 CO 0.80 -0.48 1.98 -2.84 -3.04 0.00 0.00 177.10 173.52 1qjz s PRO 164 N 1.06 2.21 0.27 0.43 0.02 -1.24 -4.85 135.00 132.90 1qjz s PRO 164 Ca 0.09 -0.90 -0.28 0.00 0.02 0.00 0.00 61.00 59.93 1qjz s PRO 164 Cb -0.21 -5.16 -0.15 0.00 0.02 0.00 0.00 34.50 29.00 1qjz s PRO 164 CO -0.05 -4.26 0.83 0.45 -0.33 0.00 0.00 177.00 173.64 1qjz n SER 165 N 15.55 0.38 -0.24 2.53 2.88 -0.85 -4.77 113.62 129.10 1qjz n SER 165 Ca 0.44 1.15 0.10 0.00 -1.33 0.00 0.00 58.87 59.23 1qjz n SER 165 Cb 0.47 -1.17 0.20 0.00 -0.75 0.00 0.00 64.21 62.96 1qjz n SER 165 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1qjz n LYS 166 N 0.79 -0.06 -4.44 -1.46 4.01 -1.26 -4.37 118.16 111.38 1qjz n LYS 166 Ca 0.12 1.04 -0.21 0.00 -0.51 0.00 0.00 58.31 58.75 1qjz n LYS 166 Cb 0.30 -1.65 -0.11 0.00 -0.51 0.00 0.00 35.03 33.07 1qjz n LYS 166 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1qjz s ILE 167 N -5.59 1.29 0.29 -0.18 -4.36 -1.26 -5.01 121.20 106.39 1qjz s ILE 167 Ca -0.09 -2.02 -0.30 0.00 -0.26 0.00 0.00 60.65 57.98 1qjz s ILE 167 Cb 0.20 -2.71 -0.12 0.00 1.25 0.00 0.00 42.46 41.08 1qjz s ILE 167 CO 0.54 -0.08 1.41 -0.81 0.24 0.00 0.00 174.94 176.24 1qjz n PRO 168 N -0.66 2.24 0.07 0.37 -0.04 -1.26 -4.56 135.00 131.17 1qjz n PRO 168 Ca -0.03 0.79 0.13 0.00 -0.04 0.00 0.00 63.50 64.35 1qjz n PRO 168 Cb 0.66 -2.46 0.36 0.00 -0.04 0.00 0.00 33.50 32.03 1qjz n PRO 168 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1qjz n THR 169 N 1.33 0.41 -3.41 0.52 -2.24 -0.02 -4.72 114.28 106.15 1qjz n THR 169 Ca 0.08 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1qjz n THR 169 Cb 0.35 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1qjz n THR 169 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qjz n ALA 170 N -1.74 0.00 -3.57 6.98 0.00 -1.19 0.02 120.51 121.01 1qjz n ALA 170 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 1qjz n ALA 170 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 1qjz n ALA 170 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qjz s SER 171 N -0.27 -0.38 0.00 0.00 0.15 -0.06 -4.40 113.70 108.75 1qjz s SER 171 Ca 0.00 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1qjz s SER 171 Cb 0.00 0.31 -0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1qjz s SER 171 CO 0.00 -0.35 -0.02 -0.63 1.20 0.00 0.00 173.24 173.44 1qjz s ILE 172 N -1.15 0.11 0.10 6.45 1.01 -0.59 0.42 121.20 127.54 1qjz s ILE 172 Ca -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 1qjz s ILE 172 Cb -0.00 -0.13 -0.04 0.00 0.01 0.00 0.00 42.46 42.29 1qjz s ILE 172 CO 0.02 -0.06 0.02 -1.10 0.00 0.00 0.00 174.94 173.81 1qjz s GLN 173 N -0.29 0.81 -0.14 2.79 1.11 -0.76 -1.54 119.66 121.64 1qjz s GLN 173 Ca -0.02 -1.35 0.01 0.00 0.01 0.00 0.00 55.36 54.00 1qjz s GLN 173 Cb -0.02 0.20 0.02 0.00 -1.01 0.00 0.00 33.01 32.19 1qjz s GLN 173 CO -0.00 -0.19 -0.17 0.42 0.01 0.00 0.00 175.29 175.36 1qjz s ILE 174 N -3.97 1.71 -0.01 1.08 1.01 -0.71 -0.36 121.20 119.95 1qjz s ILE 174 Ca 0.17 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.13 1qjz s ILE 174 Cb 0.08 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 1qjz s ILE 174 CO -0.03 0.48 -0.14 -0.55 0.00 0.00 0.00 174.94 174.70 1qjz s SER 175 N 1.24 1.65 0.00 3.58 0.15 -0.22 -2.06 113.70 118.03 1qjz s SER 175 Ca 0.00 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1qjz s SER 175 Cb -0.14 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1qjz s SER 175 CO -0.08 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1qjz n GLY 176 N 2.71 0.60 3.29 9.45 0.00 -0.34 0.08 105.19 120.98 1qjz n GLY 176 Ca -0.14 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 1qjz n GLY 176 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qjz s ARG 177 N -0.76 1.20 -0.01 1.61 0.52 -1.05 -0.13 118.95 120.33 1qjz s ARG 177 Ca 0.00 -1.56 0.01 0.00 -0.52 0.00 0.00 55.73 53.65 1qjz s ARG 177 Cb 0.00 -0.63 0.01 0.00 0.52 0.00 0.00 34.95 34.84 1qjz s ARG 177 CO 0.00 -0.01 -0.02 0.42 0.02 0.00 0.00 175.30 175.72 1qjz s ILE 178 N -3.36 0.18 -0.41 1.52 1.01 0.10 -0.38 121.20 119.85 1qjz s ILE 178 Ca 0.23 -0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.62 1qjz s ILE 178 Cb 0.04 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 42.34 1qjz s ILE 178 CO 0.05 0.08 0.67 -0.60 0.00 0.00 0.00 174.94 175.14 1qjz s ARG 179 N 0.26 3.44 -0.14 2.79 3.52 0.11 -1.21 118.95 127.71 1qjz s ARG 179 Ca -0.02 -0.17 -0.06 0.00 -0.13 0.00 0.00 55.73 55.34 1qjz s ARG 179 Cb -0.05 -3.90 -0.04 0.00 -1.56 0.00 0.00 34.95 29.40 1qjz s ARG 179 CO -0.01 -0.94 0.09 -0.51 -0.81 0.00 0.00 175.30 173.12 1qjz s LEU 180 N 2.88 4.03 0.00 -0.88 1.43 0.27 -1.98 118.68 124.43 1qjz s LEU 180 Ca 0.25 0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.54 1qjz s LEU 180 Cb -0.14 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.12 1qjz s LEU 180 CO 0.18 0.31 0.55 -1.54 0.23 0.00 0.00 176.35 176.08 1qjz n SER 181 N 2.64 -1.58 -3.21 2.29 3.41 -0.84 -1.37 113.62 114.96 1qjz n SER 181 Ca -0.18 -2.60 -0.15 0.00 -0.26 0.00 0.00 58.87 55.68 1qjz n SER 181 Cb 0.54 2.77 0.01 0.00 -0.26 0.00 0.00 64.21 67.27 1qjz n SER 181 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1qjz n LYS 182 N -0.51 -1.83 -1.63 4.33 -0.00 -1.26 -2.52 118.16 114.75 1qjz n LYS 182 Ca -0.03 1.56 -0.40 0.00 -0.00 0.00 0.00 58.31 59.43 1qjz n LYS 182 Cb 0.53 -4.40 0.02 0.00 -0.00 0.00 0.00 35.03 31.18 1qjz n LYS 182 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1qjz n PRO 183 N -1.14 1.39 -2.58 -1.58 -0.04 -1.26 0.93 135.00 130.71 1qjz n PRO 183 Ca -0.04 0.50 -0.43 0.00 -0.04 0.00 0.00 63.50 63.50 1qjz n PRO 183 Cb 0.56 -2.16 -0.02 0.00 -0.04 0.00 0.00 33.50 31.84 1qjz n PRO 183 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1qjz s MET 184 N -2.23 4.35 0.13 0.54 1.75 0.17 -4.60 119.30 119.41 1qjz s MET 184 Ca 0.65 1.51 -0.31 0.00 -1.25 0.00 0.00 55.69 56.29 1qjz s MET 184 Cb -0.51 -3.58 -0.10 0.00 2.84 0.00 0.00 34.83 33.47 1qjz s MET 184 CO 0.55 -0.45 1.75 -0.51 -0.65 0.00 0.00 175.02 175.71 1qjz s LEU 185 N 2.41 4.39 0.34 4.11 1.43 -1.26 -4.91 118.68 125.19 1qjz s LEU 185 Ca 0.51 2.70 0.02 0.00 -1.03 0.00 0.00 54.13 56.33 1qjz s LEU 185 Cb -0.20 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 1qjz s LEU 185 CO 0.17 -0.96 0.39 0.27 0.23 0.00 0.00 176.35 176.45 1qjz s ILE 186 N 2.38 0.00 0.36 -0.59 -4.36 -1.26 -5.15 121.20 112.58 1qjz s ILE 186 Ca 0.78 -1.78 0.02 0.00 -0.26 0.00 0.00 60.65 59.40 1qjz s ILE 186 Cb -0.45 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 40.65 1qjz s ILE 186 CO 0.34 0.00 0.55 0.00 0.24 0.00 0.00 174.94 176.07 1qjz s ALA 187 N -3.21 3.81 -1.09 2.27 0.00 -1.26 -5.31 121.76 116.98 1qjz s ALA 187 Ca 0.35 -1.06 0.09 0.00 0.00 0.00 0.00 51.96 51.34 1qjz s ALA 187 Cb 0.01 -2.02 0.07 0.00 0.00 0.00 0.00 23.12 21.18 1qjz s ALA 187 CO 0.24 -0.09 0.78 0.09 0.00 0.00 0.00 175.76 176.77