#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjp n PRO 2 N 0.00 0.28 -1.63 0.00 -0.02 -1.26 -4.92 135.00 127.45 1qjp n PRO 2 Ca 0.00 0.14 -0.38 0.00 -2.02 0.00 0.00 63.50 61.24 1qjp n PRO 2 Cb 0.00 -1.90 0.05 0.00 -0.02 0.00 0.00 33.50 31.63 1qjp n PRO 2 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1qjp n LYS 3 N -1.01 0.98 -1.73 -0.52 5.02 -1.26 -4.77 118.16 114.86 1qjp n LYS 3 Ca 0.10 0.38 -0.41 0.00 -2.02 0.00 0.00 58.31 56.36 1qjp n LYS 3 Cb 0.50 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 1qjp n LYS 3 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1qjp n ASP 4 N -0.74 3.13 -3.60 4.39 8.00 -1.26 -2.55 116.55 123.92 1qjp n ASP 4 Ca 0.13 1.17 -0.22 0.00 0.71 0.00 0.00 54.79 56.59 1qjp n ASP 4 Cb 0.47 -1.55 0.07 0.00 -0.02 0.00 0.00 41.12 40.08 1qjp n ASP 4 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1qjp n ASN 5 N 0.36 -3.71 -4.18 -2.24 5.15 0.64 -4.98 115.26 106.29 1qjp n ASN 5 Ca 0.04 -0.65 -0.11 0.00 -0.60 0.00 0.00 54.58 53.26 1qjp n ASN 5 Cb 0.39 -4.73 -0.10 0.00 -0.53 0.00 0.00 39.78 34.80 1qjp n ASN 5 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1qjp s THR 6 N -3.39 0.44 0.28 -0.44 -4.23 -1.06 -4.97 115.64 102.28 1qjp s THR 6 Ca 0.29 -1.93 0.09 0.00 -1.18 0.00 0.00 61.69 58.96 1qjp s THR 6 Cb -0.13 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 1qjp s THR 6 CO 0.76 -0.60 0.01 0.26 -0.54 0.00 0.00 174.62 174.51 1qjp s TRP 7 N -3.81 2.68 0.13 3.99 0.52 -1.26 -0.69 118.94 120.50 1qjp s TRP 7 Ca 0.20 -0.26 -0.13 0.00 0.02 0.00 0.00 56.10 55.93 1qjp s TRP 7 Cb 0.07 -1.27 0.02 0.00 -1.15 0.00 0.00 33.47 31.14 1qjp s TRP 7 CO 0.00 0.58 0.34 1.52 0.02 0.00 0.00 176.95 179.41 1qjp s TYR 8 N -2.35 -0.01 -0.03 -1.98 1.13 -0.47 -1.31 117.35 112.31 1qjp s TYR 8 Ca 0.32 -0.34 -0.09 0.00 -1.41 0.00 0.00 57.07 55.55 1qjp s TYR 8 Cb -0.05 0.14 0.01 0.00 -1.10 0.00 0.00 41.96 40.96 1qjp s TYR 8 CO 0.20 -0.68 0.19 -0.08 -2.51 0.00 0.00 175.55 172.67 1qjp s THR 9 N -3.85 0.05 0.33 -3.49 -1.32 -0.42 -0.70 115.64 106.24 1qjp s THR 9 Ca 0.06 -0.39 -0.12 0.00 -1.21 0.00 0.00 61.69 60.03 1qjp s THR 9 Cb 0.03 -0.41 0.02 0.00 -1.51 0.00 0.00 72.50 70.63 1qjp s THR 9 CO -0.09 -0.22 0.63 -0.83 -2.21 0.00 0.00 174.62 171.90 1qjp s GLY 10 N -0.80 0.67 0.04 6.08 0.00 0.90 -0.04 107.32 114.17 1qjp s GLY 10 Ca -0.09 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 1qjp s GLY 10 CO 0.02 -0.54 -0.03 0.00 0.00 0.00 0.00 173.10 172.55 1qjp s ALA 11 N -3.05 0.42 0.14 3.20 0.00 -0.02 -1.08 121.76 121.36 1qjp s ALA 11 Ca 0.21 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 1qjp s ALA 11 Cb -0.03 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1qjp s ALA 11 CO 0.13 -0.32 0.15 0.15 0.00 0.00 0.00 175.76 175.86 1qjp s LYS 12 N -3.37 0.99 -0.04 0.00 1.02 -0.10 -1.14 119.74 117.11 1qjp s LYS 12 Ca 0.02 -1.30 0.06 0.00 0.02 0.00 0.00 55.97 54.77 1qjp s LYS 12 Cb 0.04 0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 37.63 1qjp s LYS 12 CO -0.08 -0.31 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.30 1qjp s LEU 13 N -3.00 2.25 0.15 3.17 1.43 -0.02 -1.42 118.68 121.25 1qjp s LEU 13 Ca 0.20 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1qjp s LEU 13 Cb 0.06 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 1qjp s LEU 13 CO -0.00 0.30 -0.07 -0.83 0.23 0.00 0.00 176.35 175.99 1qjp s GLY 14 N -0.50 1.10 -0.14 -3.19 0.00 -0.14 -1.42 107.32 103.04 1qjp s GLY 14 Ca 0.07 -1.52 -0.09 0.00 0.00 0.00 0.00 44.72 43.18 1qjp s GLY 14 CO 0.01 -1.57 0.35 0.86 0.00 0.00 0.00 173.10 172.74 1qjp s TRP 15 N -3.44 -0.46 0.06 1.90 -0.00 0.15 -1.55 118.94 115.61 1qjp s TRP 15 Ca 0.18 1.04 -0.03 0.00 -0.00 0.00 0.00 56.10 57.29 1qjp s TRP 15 Cb 0.04 0.17 -0.03 0.00 -0.00 0.00 0.00 33.47 33.65 1qjp s TRP 15 CO 0.01 -0.26 0.04 0.45 -0.00 0.00 0.00 176.95 177.19 1qjp s SER 16 N 0.96 0.37 0.26 5.86 0.15 -0.60 -0.76 113.70 119.94 1qjp s SER 16 Ca -0.06 -0.89 0.10 0.00 0.70 0.00 0.00 55.95 55.80 1qjp s SER 16 Cb -0.07 0.24 -0.05 0.00 -1.71 0.00 0.00 66.02 64.44 1qjp s SER 16 CO -0.07 -0.64 -0.09 -1.10 1.20 0.00 0.00 173.24 172.54 1qjp s GLN 17 N -3.88 2.02 0.00 5.44 -0.21 -1.26 -0.43 119.66 121.34 1qjp s GLN 17 Ca 0.06 -1.53 0.00 0.00 0.02 0.00 0.00 55.36 53.91 1qjp s GLN 17 Cb 0.07 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 32.07 1qjp s GLN 17 CO -0.10 0.36 0.00 -2.39 -2.12 0.00 0.00 175.29 171.04 1qjp n HIS 31 N -0.65 0.00 -3.36 0.91 -0.00 -1.26 -4.81 115.22 106.05 1qjp n HIS 31 Ca -0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.53 1qjp n HIS 31 Cb 0.59 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.50 1qjp n HIS 31 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1qjp s GLU 32 N 0.00 0.35 -0.02 -1.40 2.02 -1.26 -4.98 118.70 113.41 1qjp s GLU 32 Ca 0.00 0.18 0.06 0.00 0.02 0.00 0.00 54.97 55.23 1qjp s GLU 32 Cb 0.00 -0.55 -0.03 0.00 0.10 0.00 0.00 34.13 33.66 1qjp s GLU 32 CO 0.00 -0.88 -0.19 -0.80 0.02 0.00 0.00 175.26 173.41 1qjp s ASN 33 N 2.47 3.63 -0.03 -0.19 0.01 -1.26 -5.00 114.94 114.57 1qjp s ASN 33 Ca 0.10 -0.35 0.06 0.00 -0.71 0.00 0.00 52.86 51.96 1qjp s ASN 33 Cb -0.14 -0.61 -0.01 0.00 0.41 0.00 0.00 41.25 40.90 1qjp s ASN 33 CO -0.25 0.32 -0.20 -0.54 -1.51 0.00 0.00 177.10 174.92 1qjp s LYS 34 N -0.85 1.74 0.08 -0.60 1.02 0.43 -1.57 119.74 120.00 1qjp s LYS 34 Ca 0.12 -0.70 0.04 0.00 0.02 0.00 0.00 55.97 55.44 1qjp s LYS 34 Cb -0.10 -1.62 -0.03 0.00 -0.52 0.00 0.00 37.83 35.56 1qjp s LYS 34 CO 0.01 0.38 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.20 1qjp s LEU 35 N -0.31 2.33 0.00 3.17 1.43 -0.34 -1.56 118.68 123.41 1qjp s LEU 35 Ca 0.04 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1qjp s LEU 35 Cb -0.09 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.80 1qjp s LEU 35 CO 0.00 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.00 1qjp n GLY 36 N 0.97 1.63 3.65 -3.19 0.00 -0.59 -0.39 105.19 107.27 1qjp n GLY 36 Ca -0.19 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1qjp n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjp s ALA 37 N -1.00 -0.18 0.26 4.61 0.00 -0.93 -0.96 121.76 123.56 1qjp s ALA 37 Ca 0.00 -0.98 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 1qjp s ALA 37 Cb 0.00 0.96 0.05 0.00 0.00 0.00 0.00 23.12 24.14 1qjp s ALA 37 CO 0.00 -0.89 0.86 0.20 0.00 0.00 0.00 175.76 175.93 1qjp s GLY 38 N -3.09 0.06 0.04 0.00 0.00 -0.50 -0.60 107.32 103.23 1qjp s GLY 38 Ca 0.22 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.60 1qjp s GLY 38 CO 0.13 0.37 -0.06 0.00 0.00 0.00 0.00 173.10 173.54 1qjp s ALA 39 N -2.92 0.49 0.05 3.20 0.00 0.66 -0.93 121.76 122.31 1qjp s ALA 39 Ca 0.15 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 1qjp s ALA 39 Cb -0.04 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1qjp s ALA 39 CO 0.07 -0.14 0.22 -0.59 0.00 0.00 0.00 175.76 175.32 1qjp s PHE 40 N -2.05 0.03 0.01 0.00 -0.71 -0.24 -0.88 117.98 114.14 1qjp s PHE 40 Ca -0.06 -0.26 -0.01 0.00 -1.04 0.00 0.00 56.93 55.55 1qjp s PHE 40 Cb -0.06 -0.00 -0.01 0.00 -1.21 0.00 0.00 43.02 41.74 1qjp s PHE 40 CO -0.02 -0.47 0.00 0.20 -1.34 0.00 0.00 175.22 173.60 1qjp s GLY 41 N -2.20 0.16 0.24 1.99 0.00 -0.04 -0.07 107.32 107.41 1qjp s GLY 41 Ca -0.04 -0.40 -0.13 0.00 0.00 0.00 0.00 44.72 44.16 1qjp s GLY 41 CO -0.05 -0.47 0.47 -0.32 0.00 0.00 0.00 173.10 172.73 1qjp s GLY 42 N -1.17 0.53 -0.08 0.20 0.00 0.12 -0.87 107.32 106.04 1qjp s GLY 42 Ca -0.13 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.72 1qjp s GLY 42 CO -0.00 -0.63 -0.07 -0.47 0.00 0.00 0.00 173.10 171.92 1qjp s TYR 43 N -4.02 1.26 -0.14 1.90 5.04 -0.37 -1.37 117.35 119.65 1qjp s TYR 43 Ca 0.22 -0.53 -0.11 0.00 -2.44 0.00 0.00 57.07 54.21 1qjp s TYR 43 Cb -0.01 -1.05 -0.05 0.00 0.35 0.00 0.00 41.96 41.21 1qjp s TYR 43 CO 0.09 -0.38 0.23 -1.14 -1.34 0.00 0.00 175.55 173.00 1qjp s GLN 44 N 1.35 3.98 -0.20 4.97 2.00 0.13 -0.96 119.66 130.94 1qjp s GLN 44 Ca -0.03 -0.00 -0.19 0.00 -2.00 0.00 0.00 55.36 53.14 1qjp s GLN 44 Cb -0.14 -3.34 -0.16 0.00 0.80 0.00 0.00 33.01 30.17 1qjp s GLN 44 CO -0.03 0.46 0.15 0.28 -0.50 0.00 0.00 175.29 175.64 1qjp h VAL 45 N 4.37 0.76 -3.83 1.34 2.07 -0.87 0.18 116.25 120.27 1qjp h VAL 45 Ca -0.46 -1.98 -0.23 0.00 0.82 0.00 0.00 66.70 64.85 1qjp h VAL 45 Cb 1.19 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.75 1qjp h VAL 45 CO 0.69 0.26 -0.05 0.54 0.02 0.00 0.00 177.57 179.03 1qjp s ASN 46 N -6.66 0.80 0.40 0.57 2.20 -1.06 -3.61 114.94 107.57 1qjp s ASN 46 Ca -0.26 -1.46 0.25 0.00 -0.94 0.00 0.00 52.86 50.44 1qjp s ASN 46 Cb 0.05 0.74 1.36 0.00 -2.00 0.00 0.00 41.25 41.40 1qjp s ASN 46 CO 0.53 -1.45 1.75 -0.65 -2.94 0.00 0.00 177.10 174.34 1qjp h PRO 47 N 2.05 0.00 0.00 3.55 0.11 -1.95 -2.69 132.00 133.07 1qjp h PRO 47 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1qjp h PRO 47 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1qjp h PRO 47 CO 0.40 0.00 -1.20 0.66 -0.21 0.00 0.00 178.00 177.64 1qjp n TYR 48 N -2.40 0.00 -4.18 0.65 4.01 -1.26 -4.61 117.16 109.37 1qjp n TYR 48 Ca -0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.52 1qjp n TYR 48 Cb 0.09 -0.17 -0.16 0.00 -0.31 0.00 0.00 39.34 38.79 1qjp n TYR 48 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1qjp s VAL 49 N -2.48 0.58 0.22 -0.72 1.01 -1.02 -0.25 120.40 117.74 1qjp s VAL 49 Ca -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1qjp s VAL 49 Cb 0.06 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 1qjp s VAL 49 CO 0.40 0.24 0.23 -0.83 0.00 0.00 0.00 175.10 175.14 1qjp s GLY 50 N 0.94 1.25 0.03 4.51 0.00 -0.20 -0.18 107.32 113.68 1qjp s GLY 50 Ca -0.11 -1.51 0.05 0.00 0.00 0.00 0.00 44.72 43.15 1qjp s GLY 50 CO 0.00 -1.20 -0.14 -1.36 0.00 0.00 0.00 173.10 170.40 1qjp s PHE 51 N -4.06 1.23 0.03 1.90 0.08 -0.13 -0.12 117.98 116.91 1qjp s PHE 51 Ca 0.35 -0.33 -0.00 0.00 0.12 0.00 0.00 56.93 57.07 1qjp s PHE 51 Cb 0.05 -0.74 -0.03 0.00 -0.57 0.00 0.00 43.02 41.73 1qjp s PHE 51 CO 0.12 0.02 -0.03 -1.21 -0.10 0.00 0.00 175.22 174.02 1qjp s GLU 52 N -0.95 0.43 -0.07 0.44 2.02 0.17 -1.24 118.70 119.49 1qjp s GLU 52 Ca 0.02 -0.83 0.03 0.00 0.02 0.00 0.00 54.97 54.22 1qjp s GLU 52 Cb -0.07 0.10 0.01 0.00 0.10 0.00 0.00 34.13 34.27 1qjp s GLU 52 CO 0.01 -0.06 -0.18 1.41 0.02 0.00 0.00 175.26 176.46 1qjp s MET 53 N -2.29 2.23 0.13 1.61 -2.45 -0.05 -0.70 119.30 117.77 1qjp s MET 53 Ca -0.08 -0.63 0.04 0.00 -1.25 0.00 0.00 55.69 53.78 1qjp s MET 53 Cb -0.04 -1.78 -0.04 0.00 1.25 0.00 0.00 34.83 34.22 1qjp s MET 53 CO -0.04 0.13 -0.10 0.20 1.05 0.00 0.00 175.02 176.26 1qjp s GLY 54 N 0.43 0.99 -0.04 2.11 0.00 0.17 -0.86 107.32 110.10 1qjp s GLY 54 Ca -0.14 -1.40 0.01 0.00 0.00 0.00 0.00 44.72 43.19 1qjp s GLY 54 CO 0.05 -1.49 -0.05 -0.47 0.00 0.00 0.00 173.10 171.15 1qjp s TYR 55 N -3.09 0.77 0.04 1.90 5.04 -0.06 -0.57 117.35 121.38 1qjp s TYR 55 Ca 0.13 -0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.55 1qjp s TYR 55 Cb 0.01 -0.68 -0.03 0.00 0.35 0.00 0.00 41.96 41.62 1qjp s TYR 55 CO -0.00 -0.19 -0.04 -0.51 -1.34 0.00 0.00 175.55 173.47 1qjp s ASP 56 N 0.88 0.48 0.10 4.32 1.01 -0.60 -0.25 116.67 122.61 1qjp s ASP 56 Ca -0.12 -0.69 0.04 0.00 0.71 0.00 0.00 52.55 52.49 1qjp s ASP 56 Cb -0.14 0.12 -0.04 0.00 1.01 0.00 0.00 42.92 43.87 1qjp s ASP 56 CO 0.00 -0.38 -0.10 -1.66 0.21 0.00 0.00 175.17 173.24 1qjp s TRP 57 N -2.31 1.11 -0.01 4.23 1.48 0.23 -1.22 118.94 122.45 1qjp s TRP 57 Ca -0.06 -0.67 0.01 0.00 -1.06 0.00 0.00 56.10 54.32 1qjp s TRP 57 Cb -0.04 -0.60 0.00 0.00 -1.16 0.00 0.00 33.47 31.68 1qjp s TRP 57 CO -0.04 0.02 -0.01 -0.51 -4.06 0.00 0.00 176.95 172.35 1qjp s LEU 58 N -2.54 1.86 0.04 -4.66 1.43 0.15 -2.19 118.68 112.78 1qjp s LEU 58 Ca 0.07 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 1qjp s LEU 58 Cb -0.02 -0.11 -0.02 0.00 0.03 0.00 0.00 46.19 46.07 1qjp s LEU 58 CO 0.00 0.00 -0.14 -0.83 0.23 0.00 0.00 176.35 175.61 1qjp s GLY 59 N 0.13 0.82 0.12 -3.19 0.00 0.48 -0.65 107.32 105.04 1qjp s GLY 59 Ca -0.01 -0.86 -0.30 0.00 0.00 0.00 0.00 44.72 43.55 1qjp s GLY 59 CO -0.00 -0.84 1.06 -1.60 0.00 0.00 0.00 173.10 171.71 1qjp s ARG 60 N -1.23 4.61 0.11 2.90 3.52 -0.13 -1.19 118.95 127.53 1qjp s ARG 60 Ca 0.01 1.61 -0.10 0.00 -0.13 0.00 0.00 55.73 57.12 1qjp s ARG 60 Cb -0.08 -3.34 -0.06 0.00 -1.56 0.00 0.00 34.95 29.91 1qjp s ARG 60 CO 0.01 0.07 0.44 -1.64 -0.81 0.00 0.00 175.30 173.37 1qjp s MET 61 N 0.06 3.79 0.37 5.12 -1.94 -0.61 -4.85 119.30 121.24 1qjp s MET 61 Ca 0.50 0.22 -0.27 0.00 -1.71 0.00 0.00 55.69 54.43 1qjp s MET 61 Cb -0.27 -2.94 -0.12 0.00 2.01 0.00 0.00 34.83 33.51 1qjp s MET 61 CO 0.32 0.52 1.23 -2.30 -0.01 0.00 0.00 175.02 174.78 1qjp n PRO 62 N 0.73 1.93 -2.84 2.03 -0.02 -1.26 -4.68 135.00 130.89 1qjp n PRO 62 Ca -0.06 0.68 -0.08 0.00 -2.02 0.00 0.00 63.50 62.01 1qjp n PRO 62 Cb 0.52 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 1qjp n PRO 62 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1qjp n TYR 63 N 0.11 -1.82 -1.99 6.00 4.01 -1.26 -5.05 117.16 117.16 1qjp n TYR 63 Ca 0.06 0.12 -0.39 0.00 -0.16 0.00 0.00 57.90 57.54 1qjp n TYR 63 Cb 0.37 -1.34 -0.03 0.00 -0.31 0.00 0.00 39.34 38.02 1qjp n TYR 63 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qjp s ALA 71 N -2.27 2.16 -0.21 -0.72 0.00 -1.26 -4.66 121.76 114.80 1qjp s ALA 71 Ca 0.14 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.60 1qjp s ALA 71 Cb -0.08 -4.29 0.04 0.00 0.00 0.00 0.00 23.12 18.79 1qjp s ALA 71 CO 0.18 -3.87 -0.15 0.71 0.00 0.00 0.00 175.76 172.63 1qjp s TYR 72 N 9.26 2.81 -0.00 0.00 1.51 -1.26 -1.15 117.35 128.52 1qjp s TYR 72 Ca 0.71 -1.82 0.01 0.00 -1.01 0.00 0.00 57.07 54.96 1qjp s TYR 72 Cb -0.14 -1.84 -0.00 0.00 -0.11 0.00 0.00 41.96 39.87 1qjp s TYR 72 CO 0.22 -0.81 -0.02 0.21 -1.11 0.00 0.00 175.55 174.04 1qjp s LYS 73 N 1.27 0.19 0.04 -0.62 2.20 -0.65 -0.96 119.74 121.21 1qjp s LYS 73 Ca -0.01 -0.10 0.04 0.00 -0.36 0.00 0.00 55.97 55.55 1qjp s LYS 73 Cb -0.16 -0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 35.96 1qjp s LYS 73 CO -0.09 0.05 -0.13 0.00 -0.36 0.00 0.00 175.35 174.82 1qjp s ALA 74 N -0.10 1.03 0.02 3.13 0.00 0.18 -0.00 121.76 126.02 1qjp s ALA 74 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1qjp s ALA 74 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1qjp s ALA 74 CO -0.00 0.16 -0.03 -0.65 0.00 0.00 0.00 175.76 175.24 1qjp s GLN 75 N -1.29 0.30 -0.07 0.00 -0.21 0.36 -0.67 119.66 118.09 1qjp s GLN 75 Ca -0.01 -0.59 -0.18 0.00 0.02 0.00 0.00 55.36 54.60 1qjp s GLN 75 Cb -0.08 0.09 0.04 0.00 1.00 0.00 0.00 33.01 34.06 1qjp s GLN 75 CO 0.01 -0.05 0.41 0.20 -2.12 0.00 0.00 175.29 173.75 1qjp s GLY 76 N -1.40 -0.28 -0.06 3.09 0.00 -0.35 -0.94 107.32 107.38 1qjp s GLY 76 Ca -0.15 0.78 0.06 0.00 0.00 0.00 0.00 44.72 45.41 1qjp s GLY 76 CO -0.01 0.55 -0.24 0.14 0.00 0.00 0.00 173.10 173.54 1qjp s VAL 77 N -0.83 2.01 0.06 1.40 1.01 0.14 -1.56 120.40 122.63 1qjp s VAL 77 Ca -0.09 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1qjp s VAL 77 Cb -0.04 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1qjp s VAL 77 CO 0.04 0.56 -0.05 0.00 0.00 0.00 0.00 175.10 175.65 1qjp s GLN 78 N -0.14 0.63 -0.07 2.72 -2.07 0.26 -0.79 119.66 120.20 1qjp s GLN 78 Ca -0.04 -1.07 -0.01 0.00 -1.82 0.00 0.00 55.36 52.42 1qjp s GLN 78 Cb -0.14 -0.06 0.03 0.00 -1.09 0.00 0.00 33.01 31.75 1qjp s GLN 78 CO 0.04 -0.03 -0.00 -1.17 -1.32 0.00 0.00 175.29 172.80 1qjp s LEU 79 N -2.46 0.66 0.04 2.60 2.96 -0.49 -0.66 118.68 121.33 1qjp s LEU 79 Ca 0.02 -0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 1qjp s LEU 79 Cb 0.01 -0.44 -0.02 0.00 0.50 0.00 0.00 46.19 46.23 1qjp s LEU 79 CO -0.05 -0.18 0.03 0.42 -1.32 0.00 0.00 176.35 175.25 1qjp s THR 80 N 1.87 0.17 0.12 3.68 -4.23 0.12 -1.62 115.64 115.75 1qjp s THR 80 Ca 0.04 -1.36 -0.21 0.00 -1.18 0.00 0.00 61.69 58.97 1qjp s THR 80 Cb -0.12 -1.07 -0.07 0.00 1.34 0.00 0.00 72.50 72.57 1qjp s THR 80 CO -0.05 -0.75 0.66 0.00 -0.54 0.00 0.00 174.62 173.93 1qjp s ALA 81 N -3.03 3.53 -0.21 3.99 0.00 0.21 -0.66 121.76 125.59 1qjp s ALA 81 Ca -0.01 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.12 1qjp s ALA 81 Cb 0.01 -2.76 0.04 0.00 0.00 0.00 0.00 23.12 20.41 1qjp s ALA 81 CO -0.07 0.36 -0.14 0.21 0.00 0.00 0.00 175.76 176.12 1qjp s LYS 82 N -1.23 2.42 -0.10 0.00 2.20 0.82 -0.92 119.74 122.93 1qjp s LYS 82 Ca 0.33 -1.00 0.01 0.00 -0.36 0.00 0.00 55.97 54.94 1qjp s LYS 82 Cb -0.20 -2.62 -0.02 0.00 -1.51 0.00 0.00 37.83 33.48 1qjp s LYS 82 CO 0.22 -0.40 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.18 1qjp s LEU 83 N 1.26 2.83 0.27 5.43 1.02 0.11 -1.03 118.68 128.57 1qjp s LEU 83 Ca -0.02 -0.23 -0.08 0.00 0.02 0.00 0.00 54.13 53.82 1qjp s LEU 83 Cb -0.16 -1.62 -0.01 0.00 0.02 0.00 0.00 46.19 44.42 1qjp s LEU 83 CO -0.09 0.24 0.42 -0.83 0.02 0.00 0.00 176.35 176.11 1qjp s GLY 84 N -0.09 0.99 -0.04 -3.19 0.00 0.65 -0.44 107.32 105.18 1qjp s GLY 84 Ca -0.01 -1.22 -0.17 0.00 0.00 0.00 0.00 44.72 43.31 1qjp s GLY 84 CO 0.03 -0.88 0.38 -0.47 0.00 0.00 0.00 173.10 172.17 1qjp s TYR 85 N -3.73 -0.30 -0.09 1.90 6.14 -0.26 -4.31 117.35 116.70 1qjp s TYR 85 Ca 0.28 0.55 -0.30 0.00 0.64 0.00 0.00 57.07 58.24 1qjp s TYR 85 Cb 0.01 0.16 -0.03 0.00 0.42 0.00 0.00 41.96 42.52 1qjp s TYR 85 CO 0.13 -0.39 1.19 -1.25 0.64 0.00 0.00 175.55 175.87 1qjp s PRO 86 N -1.03 4.33 -0.02 4.97 0.04 -1.26 -1.30 135.00 140.73 1qjp s PRO 86 Ca -0.11 1.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.45 1qjp s PRO 86 Cb -0.04 -3.60 -0.32 0.00 0.04 0.00 0.00 34.50 30.58 1qjp s PRO 86 CO 0.04 -0.50 0.79 0.82 0.04 0.00 0.00 177.00 178.20 1qjp h ILE 87 N 5.14 1.06 -4.87 0.56 1.08 -1.11 -3.48 117.51 115.89 1qjp h ILE 87 Ca -0.32 -2.60 -0.47 0.00 -0.39 0.00 0.00 64.86 61.09 1qjp h ILE 87 Cb 1.14 2.85 -0.13 0.00 -3.07 0.00 0.00 36.82 37.62 1qjp h ILE 87 CO 0.90 0.84 -0.46 0.42 -0.69 0.00 0.00 178.15 179.16 1qjp s THR 88 N -2.59 0.00 0.41 -0.27 -4.23 -0.82 -4.98 115.64 103.16 1qjp s THR 88 Ca -0.13 -1.97 0.10 0.00 -1.18 0.00 0.00 61.69 58.51 1qjp s THR 88 Cb 0.05 -2.51 0.18 0.00 1.34 0.00 0.00 72.50 71.56 1qjp s THR 88 CO 0.88 0.00 1.96 0.44 -0.54 0.00 0.00 174.62 177.36 1qjp h ASP 89 N 2.11 0.21 0.24 3.99 3.32 -2.02 -3.15 116.42 121.13 1qjp h ASP 89 Ca -0.25 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 1qjp h ASP 89 Cb 1.23 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1qjp h ASP 89 CO 0.36 0.33 -1.80 0.47 -1.72 0.00 0.00 179.24 176.88 1qjp n ASP 90 N -4.33 0.22 -4.43 6.45 8.00 -1.26 -4.88 116.55 116.32 1qjp n ASP 90 Ca -0.01 0.09 -0.34 0.00 0.71 0.00 0.00 54.79 55.25 1qjp n ASP 90 Cb 0.22 1.50 -0.13 0.00 -0.02 0.00 0.00 41.12 42.69 1qjp n ASP 90 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1qjp s LEU 91 N -4.84 3.01 0.06 0.64 0.20 -1.19 -0.74 118.68 115.83 1qjp s LEU 91 Ca -0.06 -0.23 0.06 0.00 0.69 0.00 0.00 54.13 54.59 1qjp s LEU 91 Cb 0.12 -1.71 -0.04 0.00 -0.43 0.00 0.00 46.19 44.13 1qjp s LEU 91 CO 0.87 0.15 -0.13 -1.81 -0.29 0.00 0.00 176.35 175.15 1qjp s ASP 92 N 0.47 4.20 -0.02 3.68 1.01 -0.07 -0.46 116.67 125.47 1qjp s ASP 92 Ca -0.06 -0.36 -0.02 0.00 0.71 0.00 0.00 52.55 52.83 1qjp s ASP 92 Cb -0.15 -0.79 -0.04 0.00 1.01 0.00 0.00 42.92 42.95 1qjp s ASP 92 CO 0.03 0.23 0.11 -0.51 0.21 0.00 0.00 175.17 175.25 1qjp s ILE 93 N -1.05 5.00 0.13 0.77 -1.16 -0.42 -0.95 121.20 123.52 1qjp s ILE 93 Ca 0.18 -0.26 -0.14 0.00 -0.51 0.00 0.00 60.65 59.91 1qjp s ILE 93 Cb -0.11 -3.28 0.02 0.00 0.61 0.00 0.00 42.46 39.70 1qjp s ILE 93 CO 0.09 0.38 0.36 -0.72 -2.81 0.00 0.00 174.94 172.25 1qjp s TYR 94 N -1.20 -0.06 0.11 3.50 -0.85 -0.17 -1.11 117.35 117.56 1qjp s TYR 94 Ca 0.23 -0.29 0.06 0.00 -0.52 0.00 0.00 57.07 56.55 1qjp s TYR 94 Cb -0.12 0.18 -0.03 0.00 0.38 0.00 0.00 41.96 42.36 1qjp s TYR 94 CO 0.14 -0.70 -0.14 -0.08 -1.52 0.00 0.00 175.55 173.24 1qjp s THR 95 N -3.84 1.29 0.01 -3.49 -1.32 0.41 -0.88 115.64 107.82 1qjp s THR 95 Ca 0.06 -1.59 0.05 0.00 -1.21 0.00 0.00 61.69 59.00 1qjp s THR 95 Cb 0.02 -1.40 -0.02 0.00 -1.51 0.00 0.00 72.50 69.59 1qjp s THR 95 CO -0.09 -0.34 -0.15 -0.13 -2.21 0.00 0.00 174.62 171.69 1qjp s ARG 96 N -2.36 1.16 -0.10 7.08 0.52 -0.13 -0.72 118.95 124.40 1qjp s ARG 96 Ca 0.06 -0.63 -0.08 0.00 -0.52 0.00 0.00 55.73 54.55 1qjp s ARG 96 Cb -0.07 -1.14 0.03 0.00 0.52 0.00 0.00 34.95 34.29 1qjp s ARG 96 CO 0.03 0.30 0.25 -0.48 0.02 0.00 0.00 175.30 175.42 1qjp s LEU 97 N -0.64 0.90 0.00 2.53 2.34 -0.10 -0.80 118.68 122.91 1qjp s LEU 97 Ca 0.05 0.51 0.00 0.00 0.06 0.00 0.00 54.13 54.75 1qjp s LEU 97 Cb -0.07 0.84 0.00 0.00 -0.56 0.00 0.00 46.19 46.41 1qjp s LEU 97 CO 0.00 -0.10 0.00 0.61 -1.06 0.00 0.00 176.35 175.80 1qjp n GLY 98 N 3.22 -0.85 3.24 -3.48 0.00 -0.28 -0.62 105.19 106.42 1qjp n GLY 98 Ca -0.15 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 1qjp n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qjp s GLY 99 N 0.00 1.03 -0.00 -0.02 0.00 -0.64 -0.60 107.32 107.08 1qjp s GLY 99 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.32 1qjp s GLY 99 CO 0.00 -1.50 -0.01 -0.29 0.00 0.00 0.00 173.10 171.30 1qjp s MET 100 N -3.42 0.10 -0.26 2.90 0.00 0.43 -1.39 119.30 117.66 1qjp s MET 100 Ca 0.14 -0.02 -0.09 0.00 0.00 0.00 0.00 55.69 55.72 1qjp s MET 100 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 34.83 34.67 1qjp s MET 100 CO 0.01 0.00 0.12 0.14 0.00 0.00 0.00 175.02 175.29 1qjp s VAL 101 N 0.11 4.76 0.29 10.11 -7.23 0.03 -0.49 120.40 127.97 1qjp s VAL 101 Ca -0.01 -0.02 0.07 0.00 -1.81 0.00 0.00 61.98 60.21 1qjp s VAL 101 Cb -0.02 -3.24 -0.06 0.00 0.56 0.00 0.00 36.38 33.62 1qjp s VAL 101 CO -0.00 0.31 -0.07 -1.66 -0.31 0.00 0.00 175.10 173.37 1qjp s TRP 102 N 1.60 2.02 -0.05 2.82 1.48 0.05 -0.68 118.94 126.18 1qjp s TRP 102 Ca 0.06 -0.66 -0.02 0.00 -1.06 0.00 0.00 56.10 54.43 1qjp s TRP 102 Cb -0.15 -1.15 0.03 0.00 -1.16 0.00 0.00 33.47 31.04 1qjp s TRP 102 CO 0.06 0.34 0.11 0.50 -4.06 0.00 0.00 176.95 173.90 1qjp s ARG 103 N -3.70 0.06 -0.14 3.25 3.52 -0.11 -1.55 118.95 120.28 1qjp s ARG 103 Ca 0.30 0.28 0.02 0.00 -0.13 0.00 0.00 55.73 56.20 1qjp s ARG 103 Cb 0.03 -0.15 0.01 0.00 -1.56 0.00 0.00 34.95 33.28 1qjp s ARG 103 CO 0.13 -0.14 -0.19 0.00 -0.81 0.00 0.00 175.30 174.29 1qjp s ALA 104 N 0.93 2.07 -0.09 6.12 0.00 -0.07 -0.48 121.76 130.24 1qjp s ALA 104 Ca -0.07 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 1qjp s ALA 104 Cb -0.10 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1qjp s ALA 104 CO -0.04 -0.10 -0.03 -0.51 0.00 0.00 0.00 175.76 175.07 1qjp s ASP 105 N 0.97 4.92 0.27 0.00 1.11 1.00 -1.56 116.67 123.37 1qjp s ASP 105 Ca -0.05 0.03 0.09 0.00 0.18 0.00 0.00 52.55 52.81 1qjp s ASP 105 Cb -0.15 -1.39 -0.05 0.00 1.07 0.00 0.00 42.92 42.40 1qjp s ASP 105 CO -0.04 0.34 -0.13 -0.89 1.18 0.00 0.00 175.17 175.63 1qjp s THR 106 N -0.66 2.02 -0.25 -1.27 2.01 0.55 -1.64 115.64 116.40 1qjp s THR 106 Ca 0.10 -2.25 -0.04 0.00 0.31 0.00 0.00 61.69 59.81 1qjp s THR 106 Cb -0.12 -2.31 0.09 0.00 0.01 0.00 0.00 72.50 70.18 1qjp s THR 106 CO 0.02 -0.41 0.13 -0.47 -0.69 0.00 0.00 174.62 173.20 1qjp s TYR 107 N -2.79 0.20 0.29 4.92 6.14 -0.30 -1.70 117.35 124.10 1qjp s TYR 107 Ca 0.28 -0.59 0.07 0.00 0.64 0.00 0.00 57.07 57.47 1qjp s TYR 107 Cb -0.01 -0.77 -0.03 0.00 0.42 0.00 0.00 41.96 41.57 1qjp s TYR 107 CO 0.12 -0.72 0.23 0.45 0.64 0.00 0.00 175.55 176.27 1qjp s SER 108 N 2.14 5.40 0.02 4.32 0.15 -0.51 -4.58 113.70 120.64 1qjp s SER 108 Ca 0.07 -0.36 0.22 0.00 0.70 0.00 0.00 55.95 56.57 1qjp s SER 108 Cb -0.16 -1.21 -0.14 0.00 -1.71 0.00 0.00 66.02 62.80 1qjp s SER 108 CO -0.26 -0.17 0.83 0.59 1.20 0.00 0.00 173.24 175.43 1qjp n ASN 109 N -1.25 0.55 -0.10 5.45 4.13 -1.26 -2.96 115.26 119.82 1qjp n ASN 109 Ca -0.05 -0.36 -0.18 0.00 1.68 0.00 0.00 54.58 55.66 1qjp n ASN 109 Cb 0.59 1.20 -0.08 0.00 -1.54 0.00 0.00 39.78 39.95 1qjp n ASN 109 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1qjp n VAL 110 N -1.93 1.50 0.47 2.41 0.31 -1.26 -4.67 118.33 115.16 1qjp n VAL 110 Ca 0.01 -0.05 0.12 0.00 -0.01 0.00 0.00 64.34 64.41 1qjp n VAL 110 Cb 0.45 -2.12 0.23 0.00 -0.91 0.00 0.00 33.84 31.48 1qjp n VAL 110 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1qjp n TYR 111 N -4.43 0.43 -4.32 3.52 4.02 -1.26 -5.09 117.16 110.04 1qjp n TYR 111 Ca -0.30 -0.22 0.00 0.00 -0.01 0.00 0.00 57.90 57.37 1qjp n TYR 111 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.94 1qjp n TYR 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qjp n GLY 112 N 1.46 -0.73 3.78 2.72 0.00 -1.15 -4.84 105.19 106.43 1qjp n GLY 112 Ca 0.19 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1qjp n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qjp s LYS 113 N 0.00 3.49 0.17 1.61 1.02 -1.26 -1.42 119.74 123.35 1qjp s LYS 113 Ca 0.00 1.47 -0.13 0.00 0.02 0.00 0.00 55.97 57.33 1qjp s LYS 113 Cb 0.00 -2.04 0.01 0.00 -0.52 0.00 0.00 37.83 35.28 1qjp s LYS 113 CO 0.00 -0.71 0.38 1.21 -0.92 0.00 0.00 175.35 175.31 1qjp s ASN 114 N -1.98 -0.08 0.09 2.83 2.47 -0.69 -4.96 114.94 112.62 1qjp s ASN 114 Ca 0.70 -0.69 -0.26 0.00 0.42 0.00 0.00 52.86 53.03 1qjp s ASN 114 Cb -0.20 0.49 0.07 0.00 -1.45 0.00 0.00 41.25 40.16 1qjp s ASN 114 CO 0.26 -0.95 0.63 -1.38 -3.72 0.00 0.00 177.10 171.94 1qjp s HIS 115 N -3.92 -0.57 0.02 0.43 -3.43 -1.26 -0.33 115.29 106.23 1qjp s HIS 115 Ca 0.13 0.57 0.00 0.00 -0.80 0.00 0.00 55.06 54.97 1qjp s HIS 115 Cb 0.02 0.51 -0.02 0.00 -1.43 0.00 0.00 32.58 31.66 1qjp s HIS 115 CO -0.02 -0.77 -0.03 0.34 -2.00 0.00 0.00 174.74 172.26 1qjp s ASP 116 N -2.26 0.28 0.13 7.38 2.15 -0.60 -4.99 116.67 118.76 1qjp s ASP 116 Ca -0.03 -0.38 0.06 0.00 0.43 0.00 0.00 52.55 52.63 1qjp s ASP 116 Cb -0.01 0.06 -0.04 0.00 -0.30 0.00 0.00 42.92 42.64 1qjp s ASP 116 CO -0.06 -0.21 -0.13 0.42 -0.17 0.00 0.00 175.17 175.02 1qjp s THR 117 N -1.07 1.33 0.14 1.71 -4.23 -1.26 -0.89 115.64 111.38 1qjp s THR 117 Ca -0.11 -1.83 -0.24 0.00 -1.18 0.00 0.00 61.69 58.33 1qjp s THR 117 Cb -0.07 -1.63 0.08 0.00 1.34 0.00 0.00 72.50 72.21 1qjp s THR 117 CO -0.01 -0.50 1.04 -0.83 -0.54 0.00 0.00 174.62 173.79 1qjp s GLY 118 N -2.67 -0.10 -0.02 3.99 0.00 -0.59 -4.99 107.32 102.95 1qjp s GLY 118 Ca 0.12 -0.02 0.04 0.00 0.00 0.00 0.00 44.72 44.86 1qjp s GLY 118 CO 0.03 1.23 -0.15 0.14 0.00 0.00 0.00 173.10 174.36 1qjp s VAL 119 N -2.65 1.19 0.01 1.40 1.01 -1.26 -0.77 120.40 119.33 1qjp s VAL 119 Ca 0.17 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 1qjp s VAL 119 Cb -0.01 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.40 1qjp s VAL 119 CO 0.03 0.34 0.38 -0.55 0.00 0.00 0.00 175.10 175.30 1qjp s SER 120 N -0.18 -0.25 0.76 3.32 0.15 0.36 -4.99 113.70 112.87 1qjp s SER 120 Ca 0.02 0.06 -0.14 0.00 0.70 0.00 0.00 55.95 56.59 1qjp s SER 120 Cb -0.08 0.38 0.06 0.00 -1.71 0.00 0.00 66.02 64.67 1qjp s SER 120 CO 0.00 -0.57 1.17 -2.84 1.20 0.00 0.00 173.24 172.20 1qjp s PRO 121 N -1.97 2.01 -0.03 5.44 0.02 -1.26 -0.43 135.00 138.79 1qjp s PRO 121 Ca -0.09 1.63 -0.02 0.00 0.02 0.00 0.00 61.00 62.54 1qjp s PRO 121 Cb -0.02 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.67 1qjp s PRO 121 CO 0.01 -1.90 0.07 0.54 -0.33 0.00 0.00 177.00 175.39 1qjp s VAL 122 N -2.23 -0.01 0.13 3.83 0.11 0.23 -3.79 120.40 118.68 1qjp s VAL 122 Ca 0.71 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.83 1qjp s VAL 122 Cb -0.26 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 1qjp s VAL 122 CO 0.48 0.01 -0.12 -0.36 -3.33 0.00 0.00 175.10 171.78 1qjp s PHE 123 N 0.14 1.30 0.09 1.54 0.08 0.51 -1.12 117.98 120.51 1qjp s PHE 123 Ca -0.01 -0.66 -0.17 0.00 0.12 0.00 0.00 56.93 56.21 1qjp s PHE 123 Cb -0.02 -0.67 0.04 0.00 -0.57 0.00 0.00 43.02 41.80 1qjp s PHE 123 CO -0.00 0.11 0.41 0.00 -0.10 0.00 0.00 175.22 175.63 1qjp s ALA 124 N -2.73 -0.99 0.02 5.36 0.00 0.02 -0.64 121.76 122.79 1qjp s ALA 124 Ca 0.12 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.25 1qjp s ALA 124 Cb -0.01 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 1qjp s ALA 124 CO 0.02 -0.56 -0.10 0.20 0.00 0.00 0.00 175.76 175.32 1qjp s GLY 125 N -2.42 0.54 0.26 0.00 0.00 0.25 -0.95 107.32 105.00 1qjp s GLY 125 Ca -0.01 -0.57 -0.17 0.00 0.00 0.00 0.00 44.72 43.97 1qjp s GLY 125 CO -0.07 -0.54 0.85 0.61 0.00 0.00 0.00 173.10 173.94 1qjp n GLY 126 N 2.33 0.84 3.13 0.20 0.00 -0.06 -0.47 105.19 111.17 1qjp n GLY 126 Ca -0.16 -1.18 -0.21 0.00 0.00 0.00 0.00 46.02 44.47 1qjp n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qjp s VAL 127 N -2.13 1.12 -0.06 1.61 1.01 -0.18 -1.00 120.40 120.76 1qjp s VAL 127 Ca 0.18 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1qjp s VAL 127 Cb -0.03 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1qjp s VAL 127 CO 0.08 0.11 -0.12 -0.70 0.00 0.00 0.00 175.10 174.47 1qjp s GLU 128 N -0.87 1.63 -0.24 2.72 2.12 -0.13 -1.35 118.70 122.58 1qjp s GLU 128 Ca 0.03 -0.39 -0.05 0.00 0.36 0.00 0.00 54.97 54.92 1qjp s GLU 128 Cb -0.07 -1.36 -0.01 0.00 0.26 0.00 0.00 34.13 32.95 1qjp s GLU 128 CO 0.01 0.02 -0.00 -0.47 -0.54 0.00 0.00 175.26 174.28 1qjp s TYR 129 N 0.67 3.02 -0.56 5.30 5.04 0.42 -0.89 117.35 130.34 1qjp s TYR 129 Ca -0.14 -0.85 -0.24 0.00 -2.44 0.00 0.00 57.07 53.40 1qjp s TYR 129 Cb -0.16 -2.15 0.05 0.00 0.35 0.00 0.00 41.96 40.05 1qjp s TYR 129 CO 0.03 -0.51 0.94 0.00 -1.34 0.00 0.00 175.55 174.67 1qjp s ALA 130 N 1.51 3.16 -0.04 3.97 0.00 0.09 -1.05 121.76 129.39 1qjp s ALA 130 Ca 0.05 -1.33 -0.25 0.00 0.00 0.00 0.00 51.96 50.43 1qjp s ALA 130 Cb -0.15 -3.74 -0.22 0.00 0.00 0.00 0.00 23.12 19.01 1qjp s ALA 130 CO -0.01 -2.43 1.12 0.82 0.00 0.00 0.00 175.76 175.26 1qjp h ILE 131 N 6.01 1.50 -3.89 0.00 2.04 -1.30 -3.46 117.51 118.41 1qjp h ILE 131 Ca -0.26 -1.63 -0.44 0.00 1.00 0.00 0.00 64.86 63.53 1qjp h ILE 131 Cb 1.07 2.53 -0.14 0.00 -0.74 0.00 0.00 36.82 39.55 1qjp h ILE 131 CO 1.10 0.44 -0.54 0.42 0.00 0.00 0.00 178.15 179.56 1qjp s THR 132 N -3.55 0.32 0.53 -0.27 -4.23 -1.02 -4.99 115.64 102.43 1qjp s THR 132 Ca -0.16 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.66 1qjp s THR 132 Cb 0.01 -2.49 0.35 0.00 1.34 0.00 0.00 72.50 71.71 1qjp s THR 132 CO 0.71 0.00 2.20 -0.65 -0.54 0.00 0.00 174.62 176.34 1qjp h PRO 133 N 2.15 0.00 0.00 3.99 0.11 -1.99 -2.77 132.00 133.49 1qjp h PRO 133 Ca -0.33 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.72 1qjp h PRO 133 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1qjp h PRO 133 CO 0.51 0.04 -1.90 0.39 -0.21 0.00 0.00 178.00 176.83 1qjp n GLU 134 N -3.65 0.66 -4.56 1.05 4.71 -1.26 -4.71 120.64 112.88 1qjp n GLU 134 Ca -0.02 -0.11 -0.27 0.00 -0.01 0.00 0.00 57.16 56.74 1qjp n GLU 134 Cb 0.14 -1.57 -0.17 0.00 -1.01 0.00 0.00 31.44 28.83 1qjp n GLU 134 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1qjp s ILE 135 N -3.33 1.37 0.03 -3.67 -1.09 -1.05 -0.39 121.20 113.07 1qjp s ILE 135 Ca -0.07 -0.59 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1qjp s ILE 135 Cb 0.12 -1.25 -0.02 0.00 -1.58 0.00 0.00 42.46 39.74 1qjp s ILE 135 CO 0.88 0.41 -0.09 0.00 -1.23 0.00 0.00 174.94 174.92 1qjp s ALA 136 N 0.82 0.67 0.23 9.38 0.00 -0.54 -0.82 121.76 131.51 1qjp s ALA 136 Ca -0.11 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.31 1qjp s ALA 136 Cb -0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1qjp s ALA 136 CO 0.01 0.07 0.03 0.95 0.00 0.00 0.00 175.76 176.83 1qjp s THR 137 N -0.90 3.72 0.03 0.00 -4.23 -0.21 -0.14 115.64 113.90 1qjp s THR 137 Ca -0.04 -1.65 -0.03 0.00 -1.18 0.00 0.00 61.69 58.79 1qjp s THR 137 Cb -0.07 -2.95 -0.02 0.00 1.34 0.00 0.00 72.50 70.80 1qjp s THR 137 CO 0.00 -0.27 0.03 0.00 -0.54 0.00 0.00 174.62 173.84 1qjp s ARG 138 N -3.44 0.46 -0.09 3.99 1.70 -0.22 -0.43 118.95 120.92 1qjp s ARG 138 Ca 0.30 -0.71 0.01 0.00 -0.47 0.00 0.00 55.73 54.86 1qjp s ARG 138 Cb -0.08 0.17 0.02 0.00 -0.57 0.00 0.00 34.95 34.50 1qjp s ARG 138 CO 0.20 -0.10 -0.09 -1.17 -1.08 0.00 0.00 175.30 173.06 1qjp s LEU 139 N -1.86 1.37 0.01 -1.89 0.20 -0.46 -0.74 118.68 115.31 1qjp s LEU 139 Ca -0.09 -0.29 -0.05 0.00 0.69 0.00 0.00 54.13 54.39 1qjp s LEU 139 Cb -0.04 -0.80 -0.00 0.00 -0.43 0.00 0.00 46.19 44.91 1qjp s LEU 139 CO -0.03 -0.06 0.09 -0.70 -0.29 0.00 0.00 176.35 175.37 1qjp s GLU 140 N 1.25 0.44 -0.13 1.98 2.12 -0.25 -1.01 118.70 123.09 1qjp s GLU 140 Ca -0.04 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 54.86 1qjp s GLU 140 Cb -0.14 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.43 1qjp s GLU 140 CO -0.03 -0.10 -0.21 -0.47 -0.54 0.00 0.00 175.26 173.91 1qjp s TYR 141 N -1.40 2.66 -0.03 5.30 5.04 0.38 -0.75 117.35 128.54 1qjp s TYR 141 Ca -0.15 -1.15 0.07 0.00 -2.44 0.00 0.00 57.07 53.40 1qjp s TYR 141 Cb -0.08 -1.79 -0.02 0.00 0.35 0.00 0.00 41.96 40.41 1qjp s TYR 141 CO 0.01 -0.50 -0.24 -1.14 -1.34 0.00 0.00 175.55 172.34 1qjp s GLN 142 N 0.63 2.25 0.19 4.97 0.74 0.06 -0.58 119.66 127.92 1qjp s GLN 142 Ca -0.11 -0.89 -0.04 0.00 0.05 0.00 0.00 55.36 54.37 1qjp s GLN 142 Cb -0.16 -2.12 -0.03 0.00 1.10 0.00 0.00 33.01 31.80 1qjp s GLN 142 CO 0.02 0.54 0.20 1.67 -0.55 0.00 0.00 175.29 177.17 1qjp s TRP 143 N -0.55 0.88 0.17 1.67 -2.14 0.18 -0.41 118.94 118.75 1qjp s TRP 143 Ca 0.08 -1.17 0.02 0.00 2.66 0.00 0.00 56.10 57.69 1qjp s TRP 143 Cb -0.11 -0.36 -0.01 0.00 -3.10 0.00 0.00 33.47 29.90 1qjp s TRP 143 CO 0.00 -0.69 0.08 0.25 -2.66 0.00 0.00 176.95 173.93 1qjp n THR 144 N -0.25 0.00 -2.78 0.66 -2.24 -1.26 -0.37 114.28 108.04 1qjp n THR 144 Ca -0.01 -1.05 -0.10 0.00 -2.27 0.00 0.00 64.05 60.63 1qjp n THR 144 Cb 0.64 0.41 0.06 0.00 -2.10 0.00 0.00 70.33 69.35 1qjp n THR 144 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1qjp n ASN 145 N -1.98 -2.23 -3.66 3.42 2.04 -1.25 -4.99 115.26 106.61 1qjp n ASN 145 Ca -0.01 -3.50 -0.17 0.00 -0.44 0.00 0.00 54.58 50.46 1qjp n ASN 145 Cb 0.27 1.65 -0.09 0.00 -2.53 0.00 0.00 39.78 39.08 1qjp n ASN 145 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1qjp s GLY 160 N -1.48 2.02 -0.07 4.83 0.00 -1.26 -4.65 107.32 106.72 1qjp s GLY 160 Ca 0.27 -1.94 0.01 0.00 0.00 0.00 0.00 44.72 43.06 1qjp s GLY 160 CO -0.12 -1.45 -0.08 -0.29 0.00 0.00 0.00 173.10 171.16 1qjp s MET 161 N -3.70 1.33 0.09 2.90 0.00 0.46 -4.35 119.30 116.02 1qjp s MET 161 Ca 0.40 -0.25 -0.09 0.00 0.00 0.00 0.00 55.69 55.75 1qjp s MET 161 Cb 0.04 -1.23 -0.06 0.00 0.00 0.00 0.00 34.83 33.58 1qjp s MET 161 CO 0.22 -0.08 0.39 -0.51 0.00 0.00 0.00 175.02 175.04 1qjp s LEU 162 N 1.02 4.33 0.06 4.11 1.43 0.06 -0.76 118.68 128.92 1qjp s LEU 162 Ca -0.09 0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 53.60 1qjp s LEU 162 Cb -0.15 -3.04 0.03 0.00 0.03 0.00 0.00 46.19 43.06 1qjp s LEU 162 CO -0.00 0.15 0.35 -0.94 0.23 0.00 0.00 176.35 176.14 1qjp s SER 163 N -1.90 -0.18 -0.00 2.29 1.04 0.07 -0.67 113.70 114.34 1qjp s SER 163 Ca 0.35 -0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.66 1qjp s SER 163 Cb -0.13 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 1qjp s SER 163 CO 0.19 -0.68 -0.18 -0.76 0.98 0.00 0.00 173.24 172.79 1qjp s LEU 164 N -2.21 2.06 0.30 2.42 1.43 -0.50 -1.10 118.68 121.08 1qjp s LEU 164 Ca -0.03 -0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 1qjp s LEU 164 Cb -0.00 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.30 1qjp s LEU 164 CO -0.05 0.20 0.49 -0.83 0.23 0.00 0.00 176.35 176.40 1qjp s GLY 165 N -0.59 0.93 -0.00 -3.19 0.00 0.08 -0.84 107.32 103.71 1qjp s GLY 165 Ca 0.07 -1.15 -0.01 0.00 0.00 0.00 0.00 44.72 43.63 1qjp s GLY 165 CO -0.00 -0.77 0.02 0.54 0.00 0.00 0.00 173.10 172.88 1qjp s VAL 166 N -3.48 0.03 0.09 1.40 0.11 -0.29 -1.05 120.40 117.21 1qjp s VAL 166 Ca 0.26 -0.29 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 1qjp s VAL 166 Cb -0.01 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.68 1qjp s VAL 166 CO 0.14 -0.16 -0.08 -0.94 -3.33 0.00 0.00 175.10 170.72 1qjp s SER 167 N -0.47 1.24 -0.17 3.54 1.04 0.80 -0.84 113.70 118.84 1qjp s SER 167 Ca -0.05 -0.84 -0.02 0.00 0.48 0.00 0.00 55.95 55.51 1qjp s SER 167 Cb -0.03 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 1qjp s SER 167 CO -0.00 -0.33 -0.07 -0.47 0.98 0.00 0.00 173.24 173.35 1qjp s TYR 168 N -2.69 2.93 -0.30 5.02 5.04 0.94 -1.46 117.35 126.82 1qjp s TYR 168 Ca 0.05 -0.62 -0.11 0.00 -2.44 0.00 0.00 57.07 53.95 1qjp s TYR 168 Cb -0.01 -1.96 -0.03 0.00 0.35 0.00 0.00 41.96 40.30 1qjp s TYR 168 CO -0.02 -0.25 0.20 1.03 -1.34 0.00 0.00 175.55 175.17 1qjp s ARG 169 N 0.70 3.72 0.34 4.97 0.52 0.47 -1.30 118.95 128.37 1qjp s ARG 169 Ca -0.04 -0.48 0.14 0.00 -0.52 0.00 0.00 55.73 54.84 1qjp s ARG 169 Cb -0.15 -3.68 0.60 0.00 0.52 0.00 0.00 34.95 32.25 1qjp s ARG 169 CO 0.02 -0.29 1.73 0.74 0.02 0.00 0.00 175.30 177.52 1qjp h PHE 170 N 8.40 0.00 0.00 -0.53 0.04 -1.52 -3.43 116.94 119.90 1qjp h PHE 170 Ca -0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.43 1qjp h PHE 170 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1qjp h PHE 170 CO 0.71 0.46 0.00 0.41 -0.60 0.00 0.00 178.31 179.29