#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqm s VAL 30 N 0.00 1.93 -0.14 2.52 1.01 -0.44 -4.96 120.40 120.33 3hqm s VAL 30 Ca 0.00 -1.30 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 3hqm s VAL 30 Cb 0.00 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3hqm s VAL 30 CO 0.00 0.11 0.05 -0.75 0.00 0.00 0.00 175.10 174.51 3hqm s LYS 31 N 1.25 3.51 0.31 2.72 2.20 -1.26 -1.09 119.74 127.38 3hqm s LYS 31 Ca -0.04 -0.34 -0.13 0.00 -0.36 0.00 0.00 55.97 55.10 3hqm s LYS 31 Cb -0.18 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 33.12 3hqm s LYS 31 CO -0.07 0.51 0.61 -0.59 -0.36 0.00 0.00 175.35 175.44 3hqm s PHE 32 N -0.32 0.36 0.16 4.03 -0.71 -0.45 -5.00 117.98 116.05 3hqm s PHE 32 Ca 0.08 -0.80 -0.11 0.00 -1.04 0.00 0.00 56.93 55.07 3hqm s PHE 32 Cb -0.12 0.40 0.00 0.00 -1.21 0.00 0.00 43.02 42.09 3hqm s PHE 32 CO 0.02 -1.23 0.32 -1.54 -1.34 0.00 0.00 175.22 171.45 3hqm s SER 33 N -3.07 -0.01 -0.09 1.98 1.04 -1.26 -0.66 113.70 111.63 3hqm s SER 33 Ca 0.20 -0.75 -0.06 0.00 0.48 0.00 0.00 55.95 55.82 3hqm s SER 33 Cb -0.03 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.58 3hqm s SER 33 CO 0.12 -0.90 0.22 -0.47 0.98 0.00 0.00 173.24 173.19 3hqm s TYR 34 N -3.93 -0.27 -0.21 5.02 5.04 -0.11 -4.92 117.35 117.97 3hqm s TYR 34 Ca 0.14 0.66 -0.07 0.00 -2.44 0.00 0.00 57.07 55.35 3hqm s TYR 34 Cb 0.03 0.05 -0.03 0.00 0.35 0.00 0.00 41.96 42.35 3hqm s TYR 34 CO -0.02 -0.17 0.06 1.41 -1.34 0.00 0.00 175.55 175.49 3hqm s MET 35 N 0.71 3.81 -0.22 4.97 -2.45 -1.26 -0.88 119.30 123.98 3hqm s MET 35 Ca -0.05 -0.42 -0.02 0.00 -1.25 0.00 0.00 55.69 53.96 3hqm s MET 35 Cb -0.06 -3.25 0.01 0.00 1.25 0.00 0.00 34.83 32.78 3hqm s MET 35 CO -0.04 0.05 -0.09 -0.46 1.05 0.00 0.00 175.02 175.53 3hqm s TRP 36 N 0.96 2.95 -0.26 4.11 -0.00 0.60 -4.98 118.94 122.32 3hqm s TRP 36 Ca 0.04 -1.34 -0.08 0.00 -0.00 0.00 0.00 56.10 54.72 3hqm s TRP 36 Cb -0.14 -2.04 -0.03 0.00 -0.00 0.00 0.00 33.47 31.26 3hqm s TRP 36 CO 0.03 -0.68 0.11 0.99 -0.00 0.00 0.00 176.95 177.40 3hqm s THR 37 N 1.38 4.59 -0.45 5.86 2.01 -1.26 -0.42 115.64 127.35 3hqm s THR 37 Ca 0.04 -0.10 -0.14 0.00 0.31 0.00 0.00 61.69 61.80 3hqm s THR 37 Cb -0.15 -3.17 0.07 0.00 0.01 0.00 0.00 72.50 69.26 3hqm s THR 37 CO -0.06 0.30 0.35 -0.63 -0.69 0.00 0.00 174.62 173.88 3hqm s ILE 38 N 1.65 4.98 0.50 1.82 1.01 0.90 -4.98 121.20 127.08 3hqm s ILE 38 Ca 0.06 -1.08 -0.19 0.00 0.00 0.00 0.00 60.65 59.44 3hqm s ILE 38 Cb -0.15 -3.96 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 3hqm s ILE 38 CO 0.06 -0.52 1.01 0.20 0.00 0.00 0.00 174.94 175.69 3hqm s ASN 39 N 2.34 6.44 -1.38 3.58 0.01 -1.26 -1.50 114.94 123.17 3hqm s ASN 39 Ca 0.04 1.79 -0.05 0.00 -0.71 0.00 0.00 52.86 53.92 3hqm s ASN 39 Cb -0.23 -2.54 0.03 0.00 0.41 0.00 0.00 41.25 38.92 3hqm s ASN 39 CO 0.06 -0.71 0.84 0.59 -1.51 0.00 0.00 177.10 176.37 3hqm n ASN 40 N -1.18 -2.75 -0.30 -1.22 3.02 -0.66 -4.86 115.26 107.31 3hqm n ASN 40 Ca 0.08 -0.78 -0.01 0.00 -0.03 0.00 0.00 54.58 53.84 3hqm n ASN 40 Cb 0.53 -4.09 0.17 0.00 -0.61 0.00 0.00 39.78 35.78 3hqm n ASN 40 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3hqm h PHE 41 N -2.00 1.12 0.00 3.10 3.57 -1.20 0.04 116.94 121.57 3hqm h PHE 41 Ca -0.60 0.02 0.00 0.00 3.53 0.00 0.00 57.97 60.92 3hqm h PHE 41 Cb 1.36 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3hqm h PHE 41 CO 0.50 0.72 0.00 0.66 -2.23 0.00 0.00 178.31 177.96 3hqm h SER 42 N 1.20 0.00 0.20 0.41 4.64 -1.89 -1.82 113.55 116.28 3hqm h SER 42 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3hqm h SER 42 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3hqm h SER 42 CO -0.07 0.00 -0.26 0.49 -0.87 0.00 0.00 176.83 176.12 3hqm n PHE 43 N -2.83 0.00 -1.67 4.77 3.01 -0.00 -4.94 117.46 115.79 3hqm n PHE 43 Ca -0.02 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 57.97 3hqm n PHE 43 Cb 0.07 -0.10 -0.04 0.00 -0.01 0.00 0.00 39.48 39.40 3hqm n PHE 43 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hqm n ARG 45 N 4.30 2.79 -1.96 0.00 1.74 -1.26 -4.98 116.66 117.30 3hqm n ARG 45 Ca 0.19 -2.65 -0.42 0.00 -0.77 0.00 0.00 57.85 54.20 3hqm n ARG 45 Cb 0.29 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 3hqm n ARG 45 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hqm s GLU 46 N -1.04 4.20 0.75 5.56 8.01 -1.26 -4.99 118.70 129.92 3hqm s GLU 46 Ca 0.48 2.28 -0.04 0.00 0.01 0.00 0.00 54.97 57.70 3hqm s GLU 46 Cb 0.25 -3.76 0.13 0.00 -4.31 0.00 0.00 34.13 26.44 3hqm s GLU 46 CO 0.32 -0.77 1.04 -1.21 0.01 0.00 0.00 175.26 174.65 3hqm s GLU 47 N 3.18 1.59 0.13 1.61 0.41 -1.26 -4.33 118.70 120.03 3hqm s GLU 47 Ca 0.74 -0.86 -0.35 0.00 -0.41 0.00 0.00 54.97 54.09 3hqm s GLU 47 Cb -0.37 -2.23 -0.15 0.00 -1.78 0.00 0.00 34.13 29.59 3hqm s GLU 47 CO 0.32 -1.56 1.41 -0.12 -0.49 0.00 0.00 175.26 174.82 3hqm n MET 48 N -2.99 1.57 0.00 1.61 1.56 -1.26 -1.19 117.12 116.42 3hqm n MET 48 Ca 0.14 0.56 0.00 0.00 -0.27 0.00 0.00 57.70 58.13 3hqm n MET 48 Cb 0.60 -2.24 0.00 0.00 2.15 0.00 0.00 33.22 33.73 3hqm n MET 48 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3hqm n GLY 49 N 2.77 2.98 3.83 -5.12 0.00 0.30 -4.96 105.19 104.99 3hqm n GLY 49 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3hqm n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hqm s GLU 50 N -0.52 4.13 0.08 1.61 2.02 -0.33 -4.97 118.70 120.73 3hqm s GLU 50 Ca 0.00 0.91 0.05 0.00 0.02 0.00 0.00 54.97 55.96 3hqm s GLU 50 Cb 0.00 -2.30 -0.03 0.00 0.10 0.00 0.00 34.13 31.89 3hqm s GLU 50 CO 0.00 0.06 -0.14 0.54 0.02 0.00 0.00 175.26 175.74 3hqm s VAL 51 N -2.08 1.19 -0.08 2.63 0.11 -1.26 -4.28 120.40 116.63 3hqm s VAL 51 Ca 0.58 -1.42 0.05 0.00 -2.93 0.00 0.00 61.98 58.26 3hqm s VAL 51 Cb -0.10 -1.21 -0.00 0.00 -1.53 0.00 0.00 36.38 33.54 3hqm s VAL 51 CO 0.15 -0.27 -0.23 -0.63 -3.33 0.00 0.00 175.10 170.79 3hqm s ILE 52 N -1.50 1.95 0.09 7.04 1.01 0.31 -4.97 121.20 125.14 3hqm s ILE 52 Ca 0.01 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.72 3hqm s ILE 52 Cb -0.09 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 3hqm s ILE 52 CO 0.02 0.54 0.07 -1.59 0.00 0.00 0.00 174.94 173.98 3hqm s LYS 53 N 0.17 2.82 0.75 2.79 -2.85 -1.26 -0.40 119.74 121.75 3hqm s LYS 53 Ca -0.12 -0.74 -0.08 0.00 -1.00 0.00 0.00 55.97 54.02 3hqm s LYS 53 Cb -0.16 -2.68 0.08 0.00 -2.06 0.00 0.00 37.83 33.01 3hqm s LYS 53 CO 0.06 0.55 1.07 -1.54 0.10 0.00 0.00 175.35 175.60 3hqm s SER 54 N -2.47 4.58 0.93 0.03 1.04 -0.02 -4.99 113.70 112.80 3hqm s SER 54 Ca 0.29 0.46 -0.10 0.00 0.48 0.00 0.00 55.95 57.07 3hqm s SER 54 Cb -0.12 -1.01 0.15 0.00 0.10 0.00 0.00 66.02 65.15 3hqm s SER 54 CO 0.21 -1.77 1.13 -0.44 0.98 0.00 0.00 173.24 173.35 3hqm s SER 55 N -4.57 2.86 0.50 7.02 0.01 -1.26 -4.65 113.70 113.61 3hqm s SER 55 Ca 0.62 2.09 -0.18 0.00 1.31 0.00 0.00 55.95 59.78 3hqm s SER 55 Cb -0.10 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.52 3hqm s SER 55 CO 0.46 -3.12 1.01 0.42 0.41 0.00 0.00 173.24 172.42 3hqm s THR 56 N -2.66 4.11 0.14 1.44 -4.23 -1.26 -4.55 115.64 108.64 3hqm s THR 56 Ca 0.66 1.16 -0.04 0.00 -1.18 0.00 0.00 61.69 62.30 3hqm s THR 56 Cb -0.22 -3.53 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 3hqm s THR 56 CO 0.58 -0.43 0.14 0.72 -0.54 0.00 0.00 174.62 175.10 3hqm s PHE 57 N -2.29 0.67 0.14 3.99 -0.71 0.19 -4.94 117.98 115.04 3hqm s PHE 57 Ca 0.63 -1.05 -0.01 0.00 -1.04 0.00 0.00 56.93 55.47 3hqm s PHE 57 Cb -0.13 -0.32 0.00 0.00 -1.21 0.00 0.00 43.02 41.37 3hqm s PHE 57 CO 0.25 -0.59 0.20 -1.13 -1.34 0.00 0.00 175.22 172.61 3hqm n SER 58 N -0.13 -0.57 -0.03 1.98 3.41 -1.26 -0.85 113.62 116.16 3hqm n SER 58 Ca -0.06 -1.76 -0.11 0.00 -0.26 0.00 0.00 58.87 56.68 3hqm n SER 58 Cb 0.63 1.05 -0.09 0.00 -0.26 0.00 0.00 64.21 65.54 3hqm n SER 58 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hqm h SER 59 N 0.80 -0.04 0.00 4.04 4.64 -1.96 -3.45 113.55 117.58 3hqm h SER 59 Ca -0.11 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.59 3hqm h SER 59 Cb 0.48 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3hqm h SER 59 CO 0.15 0.72 0.15 2.29 -0.87 0.00 0.00 176.83 179.27 3hqm n LYS 64 N -4.73 0.00 -3.68 4.77 -0.00 -1.26 -5.03 118.16 108.22 3hqm n LYS 64 Ca -0.07 0.15 -0.33 0.00 -0.00 0.00 0.00 58.31 58.05 3hqm n LYS 64 Cb 0.32 -1.65 -0.05 0.00 -0.00 0.00 0.00 35.03 33.66 3hqm n LYS 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3hqm s LEU 65 N -2.09 4.32 -0.06 -5.58 1.43 -1.26 -4.56 118.68 110.87 3hqm s LEU 65 Ca 0.00 0.61 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 3hqm s LEU 65 Cb 0.00 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.18 3hqm s LEU 65 CO 0.00 0.14 -0.15 -0.54 0.23 0.00 0.00 176.35 176.03 3hqm s LYS 66 N -2.24 1.84 0.31 1.70 -0.14 -0.31 -4.63 119.74 116.27 3hqm s LYS 66 Ca 0.35 -0.54 0.10 0.00 -1.36 0.00 0.00 55.97 54.53 3hqm s LYS 66 Cb -0.13 -1.53 -0.06 0.00 -1.68 0.00 0.00 37.83 34.43 3hqm s LYS 66 CO 0.21 0.14 -0.14 -1.58 -0.76 0.00 0.00 175.35 173.22 3hqm s TRP 67 N 0.34 2.32 0.23 3.18 0.52 -0.03 -0.45 118.94 125.04 3hqm s TRP 67 Ca -0.10 -0.44 -0.10 0.00 0.02 0.00 0.00 56.10 55.48 3hqm s TRP 67 Cb -0.14 -1.20 -0.01 0.00 -1.15 0.00 0.00 33.47 30.98 3hqm s TRP 67 CO 0.03 0.62 0.39 0.00 0.02 0.00 0.00 176.95 178.01 3hqm s LEU 69 N -3.04 4.14 -0.02 0.00 1.43 -1.26 -0.48 118.68 119.45 3hqm s LEU 69 Ca 0.25 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3hqm s LEU 69 Cb 0.01 -2.71 0.01 0.00 0.03 0.00 0.00 46.19 43.53 3hqm s LEU 69 CO 0.08 0.04 -0.03 -0.13 0.23 0.00 0.00 176.35 176.55 3hqm s ARG 70 N -3.28 0.42 -0.02 1.70 0.52 -0.26 -0.84 118.95 117.19 3hqm s ARG 70 Ca 0.33 -0.07 0.06 0.00 -0.52 0.00 0.00 55.73 55.53 3hqm s ARG 70 Cb -0.10 -0.47 -0.01 0.00 0.52 0.00 0.00 34.95 34.88 3hqm s ARG 70 CO 0.27 -0.01 -0.19 0.54 0.02 0.00 0.00 175.30 175.93 3hqm s VAL 71 N 0.43 1.48 -0.50 3.52 0.11 0.46 -0.63 120.40 125.29 3hqm s VAL 71 Ca -0.05 -0.80 -0.11 0.00 -2.93 0.00 0.00 61.98 58.09 3hqm s VAL 71 Cb -0.08 -1.24 0.12 0.00 -1.53 0.00 0.00 36.38 33.66 3hqm s VAL 71 CO -0.01 0.42 0.40 0.20 -3.33 0.00 0.00 175.10 172.78 3hqm s ASN 72 N -0.42 5.87 0.48 3.54 -0.87 -0.24 -0.53 114.94 122.77 3hqm s ASN 72 Ca 0.07 -1.88 0.14 0.00 -1.57 0.00 0.00 52.86 49.62 3hqm s ASN 72 Cb -0.07 -2.08 1.14 0.00 -0.02 0.00 0.00 41.25 40.22 3hqm s ASN 72 CO -0.01 -0.75 2.10 -0.65 -2.57 0.00 0.00 177.10 175.22 3hqm h PRO 73 N 8.59 0.19 -0.46 -0.60 0.11 -1.85 -1.57 132.00 136.42 3hqm h PRO 73 Ca -0.24 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.67 3hqm h PRO 73 Cb 1.08 -0.04 -0.12 0.00 0.11 0.00 0.00 31.00 32.03 3hqm h PRO 73 CO 0.92 0.13 0.08 1.63 -0.21 0.00 0.00 178.00 180.55 3hqm n LYS 74 N -4.50 2.32 0.00 1.05 5.02 -1.26 -4.29 118.16 116.50 3hqm n LYS 74 Ca 0.01 -3.08 0.00 0.00 -2.02 0.00 0.00 58.31 53.22 3hqm n LYS 74 Cb 0.14 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 3hqm n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hqm n GLY 75 N -0.90 -1.80 0.22 0.72 0.00 -0.65 -4.22 105.19 98.56 3hqm n GLY 75 Ca 0.35 -1.51 -0.16 0.00 0.00 0.00 0.00 46.02 44.71 3hqm n GLY 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hqm h LEU 76 N 0.00 0.89 0.00 0.99 5.85 -1.82 0.86 115.31 122.08 3hqm h LEU 76 Ca 0.00 -0.55 -0.06 0.00 0.84 0.00 0.00 57.88 58.11 3hqm h LEU 76 Cb 0.00 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 3hqm h LEU 76 CO 0.00 1.34 0.09 -0.90 -0.34 0.00 0.00 178.44 178.63 3hqm n ASP 77 N -3.94 -1.20 -0.37 1.25 5.68 -1.26 -3.36 116.55 113.35 3hqm n ASP 77 Ca -0.06 -2.00 0.02 0.00 -0.50 0.00 0.00 54.79 52.25 3hqm n ASP 77 Cb 0.71 2.05 0.16 0.00 -1.14 0.00 0.00 41.12 42.90 3hqm n ASP 77 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3hqm h GLU 78 N 0.00 1.17 -0.01 0.11 4.57 -1.95 -1.29 114.58 117.18 3hqm h GLU 78 Ca -0.19 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.92 3hqm h GLU 78 Cb 0.73 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3hqm h GLU 78 CO 0.24 0.77 -0.02 1.49 -1.18 0.00 0.00 179.01 180.31 3hqm h GLU 79 N 1.20 0.01 -0.11 1.92 4.81 -2.01 -3.04 114.58 117.36 3hqm h GLU 79 Ca 0.42 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 3hqm h GLU 79 Cb 0.12 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3hqm h GLU 79 CO -0.16 0.03 0.00 -1.13 -0.73 0.00 0.00 179.01 177.02 3hqm n SER 80 N -4.51 2.95 0.16 1.04 3.41 -0.57 -4.73 113.62 111.37 3hqm n SER 80 Ca -0.03 -3.03 0.13 0.00 -0.26 0.00 0.00 58.87 55.68 3hqm n SER 80 Cb 0.11 -0.47 0.55 0.00 -0.26 0.00 0.00 64.21 64.15 3hqm n SER 80 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3hqm h LYS 81 N 0.73 0.00 -0.12 4.33 2.10 -1.21 -0.59 116.57 121.81 3hqm h LYS 81 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hqm h LYS 81 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3hqm h LYS 81 CO 0.09 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.29 3hqm n ASP 82 N -2.36 1.97 -4.33 7.07 8.00 -1.26 -4.65 116.55 120.99 3hqm n ASP 82 Ca 0.01 -1.70 -0.18 0.00 0.71 0.00 0.00 54.79 53.63 3hqm n ASP 82 Cb 0.19 -0.07 -0.10 0.00 -0.02 0.00 0.00 41.12 41.12 3hqm n ASP 82 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hqm s TYR 83 N -1.86 1.65 0.06 1.24 2.02 -0.23 -0.43 117.35 119.80 3hqm s TYR 83 Ca 0.35 -0.59 -0.28 0.00 -0.37 0.00 0.00 57.07 56.18 3hqm s TYR 83 Cb 0.20 -0.78 -0.05 0.00 -0.40 0.00 0.00 41.96 40.93 3hqm s TYR 83 CO 0.30 0.31 0.87 -0.51 -1.57 0.00 0.00 175.55 174.95 3hqm s LEU 84 N -3.20 4.45 -0.13 -1.29 1.02 -0.26 -1.71 118.68 117.56 3hqm s LEU 84 Ca 0.20 1.61 -0.06 0.00 0.02 0.00 0.00 54.13 55.90 3hqm s LEU 84 Cb -0.01 -3.42 -0.04 0.00 0.02 0.00 0.00 46.19 42.74 3hqm s LEU 84 CO 0.06 -0.06 0.10 -0.44 0.02 0.00 0.00 176.35 176.02 3hqm s SER 85 N 0.16 6.00 -0.03 2.29 0.01 -0.82 -1.34 113.70 119.96 3hqm s SER 85 Ca 0.44 0.32 0.01 0.00 1.31 0.00 0.00 55.95 58.03 3hqm s SER 85 Cb -0.22 -1.91 0.03 0.00 0.21 0.00 0.00 66.02 64.13 3hqm s SER 85 CO 0.26 0.35 -0.01 -0.22 0.41 0.00 0.00 173.24 174.03 3hqm s LEU 86 N -0.70 1.23 0.07 2.44 2.96 -0.37 -1.08 118.68 123.22 3hqm s LEU 86 Ca 0.12 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 3hqm s LEU 86 Cb -0.12 -0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.25 3hqm s LEU 86 CO 0.03 -0.08 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.57 3hqm s TYR 87 N 0.97 0.88 -0.23 5.38 2.02 0.20 -0.72 117.35 125.85 3hqm s TYR 87 Ca -0.10 -0.58 -0.08 0.00 -0.37 0.00 0.00 57.07 55.94 3hqm s TYR 87 Cb -0.14 -0.50 -0.04 0.00 -0.40 0.00 0.00 41.96 40.88 3hqm s TYR 87 CO -0.01 -0.05 0.09 -1.17 -1.57 0.00 0.00 175.55 172.84 3hqm s LEU 88 N -1.98 3.74 -0.15 -1.29 2.96 0.54 -1.11 118.68 121.40 3hqm s LEU 88 Ca -0.03 -0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.82 3hqm s LEU 88 Cb -0.07 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 3hqm s LEU 88 CO 0.00 0.06 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.82 3hqm s LEU 89 N 1.09 3.19 -0.56 -0.68 2.96 0.37 -1.50 118.68 123.56 3hqm s LEU 89 Ca 0.05 -0.14 -0.24 0.00 -0.22 0.00 0.00 54.13 53.58 3hqm s LEU 89 Cb -0.14 -1.76 0.04 0.00 0.50 0.00 0.00 46.19 44.84 3hqm s LEU 89 CO 0.04 0.19 0.94 -0.22 -1.32 0.00 0.00 176.35 175.97 3hqm s LEU 90 N 0.26 4.14 -0.10 -0.68 2.96 -0.65 -1.08 118.68 123.53 3hqm s LEU 90 Ca -0.04 -0.43 -0.25 0.00 -0.22 0.00 0.00 54.13 53.19 3hqm s LEU 90 Cb -0.14 -2.78 -0.28 0.00 0.50 0.00 0.00 46.19 43.49 3hqm s LEU 90 CO 0.03 -1.24 0.82 0.58 -1.32 0.00 0.00 176.35 175.22 3hqm h VAL 91 N 6.01 1.65 -3.55 1.68 2.07 -1.08 0.40 116.25 123.42 3hqm h VAL 91 Ca -0.26 -2.44 -0.29 0.00 0.82 0.00 0.00 66.70 64.53 3hqm h VAL 91 Cb 1.07 3.29 -0.33 0.00 -1.52 0.00 0.00 31.29 33.80 3hqm h VAL 91 CO 1.09 0.66 -0.73 -0.94 0.02 0.00 0.00 177.57 177.67 3hqm s SER 92 N -6.59 0.06 -0.25 0.57 1.04 -0.91 -4.23 113.70 103.39 3hqm s SER 92 Ca -0.17 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 3hqm s SER 92 Cb -0.01 -0.06 0.13 0.00 0.10 0.00 0.00 66.02 66.18 3hqm s SER 92 CO 0.76 -0.11 0.51 0.00 0.98 0.00 0.00 173.24 175.38 3hqm h PRO 94 N 8.09 0.26 -7.16 0.00 0.13 -2.01 -3.44 132.00 127.87 3hqm h PRO 94 Ca -0.18 -0.17 -0.52 0.00 -0.87 0.00 0.00 66.00 64.26 3hqm h PRO 94 Cb 1.12 0.02 0.12 0.00 0.13 0.00 0.00 31.00 32.39 3hqm h PRO 94 CO 0.16 0.76 0.40 0.15 -0.23 0.00 0.00 178.00 179.24 3hqm s LYS 95 N -3.84 2.67 0.45 0.86 3.01 -1.26 -4.94 119.74 116.69 3hqm s LYS 95 Ca -0.04 1.61 0.23 0.00 -1.01 0.00 0.00 55.97 56.75 3hqm s LYS 95 Cb 0.12 -1.91 1.04 0.00 -1.01 0.00 0.00 37.83 36.07 3hqm s LYS 95 CO 0.80 -1.39 1.90 0.77 0.51 0.00 0.00 175.35 177.93 3hqm h SER 96 N 0.19 0.00 -4.98 2.83 0.02 -1.96 -3.44 113.55 106.20 3hqm h SER 96 Ca -0.48 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.42 3hqm h SER 96 Cb 1.27 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.63 3hqm h SER 96 CO 0.53 0.24 0.20 -1.83 -1.14 0.00 0.00 176.83 174.83 3hqm s GLU 97 N -3.91 1.08 -0.03 3.45 -1.05 -1.26 -4.68 118.70 112.31 3hqm s GLU 97 Ca -0.01 0.16 -0.01 0.00 -0.15 0.00 0.00 54.97 54.95 3hqm s GLU 97 Cb 0.12 0.51 0.02 0.00 -0.44 0.00 0.00 34.13 34.33 3hqm s GLU 97 CO 0.64 -0.36 0.06 0.14 0.95 0.00 0.00 175.26 176.69 3hqm s VAL 98 N -1.54 -0.02 0.06 1.83 -7.23 -0.25 -5.00 120.40 108.25 3hqm s VAL 98 Ca -0.09 0.08 -0.16 0.00 -1.81 0.00 0.00 61.98 60.00 3hqm s VAL 98 Cb -0.00 -0.10 -0.06 0.00 0.56 0.00 0.00 36.38 36.77 3hqm s VAL 98 CO 0.07 0.03 0.48 -0.13 -0.31 0.00 0.00 175.10 175.25 3hqm s ARG 99 N 0.47 4.00 -0.16 4.82 0.52 -1.26 -1.05 118.95 126.29 3hqm s ARG 99 Ca -0.04 0.51 -0.12 0.00 -0.52 0.00 0.00 55.73 55.56 3hqm s ARG 99 Cb -0.05 -3.15 0.05 0.00 0.52 0.00 0.00 34.95 32.31 3hqm s ARG 99 CO -0.02 0.63 0.41 0.00 0.02 0.00 0.00 175.30 176.34 3hqm s ALA 100 N -1.19 -1.02 0.23 2.13 0.00 -0.55 -0.64 121.76 120.72 3hqm s ALA 100 Ca 0.29 1.29 -0.09 0.00 0.00 0.00 0.00 51.96 53.44 3hqm s ALA 100 Cb -0.17 -0.76 -0.07 0.00 0.00 0.00 0.00 23.12 22.11 3hqm s ALA 100 CO 0.17 -0.22 0.54 0.15 0.00 0.00 0.00 175.76 176.40 3hqm s LYS 101 N 0.67 3.79 0.06 0.00 1.02 -0.10 -0.87 119.74 124.31 3hqm s LYS 101 Ca -0.04 0.25 -0.07 0.00 0.02 0.00 0.00 55.97 56.13 3hqm s LYS 101 Cb -0.05 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 3hqm s LYS 101 CO -0.05 0.32 0.15 -0.59 -0.92 0.00 0.00 175.35 174.26 3hqm s PHE 102 N -1.82 0.18 -0.04 3.18 -0.71 -1.26 -0.73 117.98 116.79 3hqm s PHE 102 Ca 0.47 -0.54 -0.02 0.00 -1.04 0.00 0.00 56.93 55.80 3hqm s PHE 102 Cb -0.11 -0.11 0.02 0.00 -1.21 0.00 0.00 43.02 41.62 3hqm s PHE 102 CO 0.22 -0.46 0.08 0.21 -1.34 0.00 0.00 175.22 173.93 3hqm s LYS 103 N -3.28 0.04 0.03 1.99 2.20 -0.23 -0.76 119.74 119.74 3hqm s LYS 103 Ca 0.01 0.21 0.08 0.00 -0.36 0.00 0.00 55.97 55.91 3hqm s LYS 103 Cb 0.02 -0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.19 3hqm s LYS 103 CO -0.08 -0.11 -0.24 -0.06 -0.36 0.00 0.00 175.35 174.50 3hqm s PHE 104 N 0.74 2.40 0.18 4.03 0.08 0.20 -1.24 117.98 124.37 3hqm s PHE 104 Ca -0.06 -0.37 -0.06 0.00 0.12 0.00 0.00 56.93 56.56 3hqm s PHE 104 Cb -0.08 -1.44 -0.02 0.00 -0.57 0.00 0.00 43.02 40.91 3hqm s PHE 104 CO -0.03 0.13 0.23 -1.54 -0.10 0.00 0.00 175.22 173.91 3hqm s SER 105 N -1.15 0.10 -0.12 1.36 1.04 0.03 -0.82 113.70 114.14 3hqm s SER 105 Ca 0.12 -1.09 -0.04 0.00 0.48 0.00 0.00 55.95 55.43 3hqm s SER 105 Cb -0.10 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 3hqm s SER 105 CO 0.02 -0.89 0.02 -0.63 0.98 0.00 0.00 173.24 172.74 3hqm s ILE 106 N -4.04 4.42 -0.12 -1.02 1.01 -0.35 -0.49 121.20 120.60 3hqm s ILE 106 Ca 0.25 -0.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.54 3hqm s ILE 106 Cb 0.04 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 3hqm s ILE 106 CO 0.05 0.55 0.44 -0.76 0.00 0.00 0.00 174.94 175.22 3hqm s LEU 107 N -0.35 4.28 0.00 2.97 1.43 -0.02 -0.46 118.68 126.53 3hqm s LEU 107 Ca 0.07 0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 53.83 3hqm s LEU 107 Cb -0.12 -2.63 0.16 0.00 0.03 0.00 0.00 46.19 43.62 3hqm s LEU 107 CO 0.02 0.04 0.95 -0.46 0.23 0.00 0.00 176.35 177.12 3hqm n ASN 108 N 3.55 0.16 -0.03 2.29 0.23 -0.09 -4.57 115.26 116.80 3hqm n ASN 108 Ca -0.08 -1.40 0.17 0.00 -0.53 0.00 0.00 54.58 52.75 3hqm n ASN 108 Cb 0.52 -0.72 0.62 0.00 -2.08 0.00 0.00 39.78 38.12 3hqm n ASN 108 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hqm h ALA 109 N -1.73 2.32 -0.02 -2.53 0.00 -1.90 -0.33 119.26 115.07 3hqm h ALA 109 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hqm h ALA 109 Cb 0.87 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3hqm h ALA 109 CO 0.22 -0.48 0.00 1.63 0.00 0.00 0.00 179.25 180.63 3hqm n LYS 110 N -4.42 1.42 -0.80 0.00 5.02 -1.26 -4.91 118.16 113.21 3hqm n LYS 110 Ca 0.10 -0.61 0.00 0.00 -2.02 0.00 0.00 58.31 55.78 3hqm n LYS 110 Cb 0.53 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 3hqm n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hqm n GLY 111 N 1.09 0.60 3.79 0.72 0.00 -0.14 -5.05 105.19 106.21 3hqm n GLY 111 Ca 0.20 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3hqm n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hqm s GLU 112 N -0.21 4.44 0.24 1.61 2.02 -1.26 -4.74 118.70 120.80 3hqm s GLU 112 Ca 0.00 1.04 -0.30 0.00 0.02 0.00 0.00 54.97 55.73 3hqm s GLU 112 Cb 0.00 -3.14 -0.09 0.00 0.10 0.00 0.00 34.13 31.00 3hqm s GLU 112 CO 0.00 0.52 1.23 -1.21 0.02 0.00 0.00 175.26 175.82 3hqm s GLU 113 N -1.40 4.47 0.05 1.61 2.02 -1.26 -0.91 118.70 123.28 3hqm s GLU 113 Ca 0.37 1.98 -0.06 0.00 0.02 0.00 0.00 54.97 57.28 3hqm s GLU 113 Cb -0.21 -3.18 -0.01 0.00 0.10 0.00 0.00 34.13 30.83 3hqm s GLU 113 CO 0.24 -0.09 0.11 0.95 0.02 0.00 0.00 175.26 176.49 3hqm s THR 114 N -0.49 0.14 -1.40 3.63 -4.23 0.39 -4.92 115.64 108.76 3hqm s THR 114 Ca 0.51 -1.19 -0.04 0.00 -1.18 0.00 0.00 61.69 59.79 3hqm s THR 114 Cb -0.35 -1.08 0.03 0.00 1.34 0.00 0.00 72.50 72.44 3hqm s THR 114 CO 0.41 -0.66 0.70 0.29 -0.54 0.00 0.00 174.62 174.83 3hqm n LYS 115 N 0.48 -4.59 -2.69 3.99 4.76 -1.26 -1.22 118.16 117.64 3hqm n LYS 115 Ca -0.17 0.55 -0.36 0.00 -2.87 0.00 0.00 58.31 55.46 3hqm n LYS 115 Cb 0.60 -5.10 -0.05 0.00 -1.84 0.00 0.00 35.03 28.64 3hqm n LYS 115 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hqm s ALA 116 N -3.63 3.10 -0.02 7.82 0.00 -1.26 -4.44 121.76 123.32 3hqm s ALA 116 Ca 0.20 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.74 3hqm s ALA 116 Cb -0.10 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3hqm s ALA 116 CO 0.84 -0.02 -0.09 -1.64 0.00 0.00 0.00 175.76 174.85 3hqm s MET 117 N -2.59 0.91 -0.01 0.00 -1.94 -0.00 -5.00 119.30 110.68 3hqm s MET 117 Ca 0.57 -0.30 0.04 0.00 -1.71 0.00 0.00 55.69 54.29 3hqm s MET 117 Cb -0.17 -0.86 -0.01 0.00 2.01 0.00 0.00 34.83 35.80 3hqm s MET 117 CO 0.22 0.13 -0.13 -2.00 -0.01 0.00 0.00 175.02 173.23 3hqm s GLU 118 N 0.13 1.06 0.20 2.03 2.12 -1.26 -0.62 118.70 122.34 3hqm s GLU 118 Ca -0.02 -0.48 -0.31 0.00 0.36 0.00 0.00 54.97 54.52 3hqm s GLU 118 Cb -0.08 -1.02 -0.09 0.00 0.26 0.00 0.00 34.13 33.20 3hqm s GLU 118 CO 0.00 0.28 1.41 -1.54 -0.54 0.00 0.00 175.26 174.88 3hqm s SER 119 N -0.35 6.74 0.35 -1.70 1.04 0.06 -4.89 113.70 114.95 3hqm s SER 119 Ca 0.05 2.52 0.27 0.00 0.48 0.00 0.00 55.95 59.27 3hqm s SER 119 Cb -0.05 -2.61 1.02 0.00 0.10 0.00 0.00 66.02 64.48 3hqm s SER 119 CO -0.00 -0.66 1.79 1.56 0.98 0.00 0.00 173.24 176.91 3hqm h GLN 120 N 5.76 0.00 -4.19 4.02 1.08 -1.99 -3.44 115.11 116.34 3hqm h GLN 120 Ca -0.44 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.59 3hqm h GLN 120 Cb 1.21 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.52 3hqm h GLN 120 CO 0.81 0.00 -0.39 -0.98 -0.95 0.00 0.00 178.83 177.32 3hqm s ARG 121 N -3.38 1.38 0.36 1.46 1.70 -1.26 -5.15 118.95 114.06 3hqm s ARG 121 Ca 0.05 -1.48 -0.26 0.00 -0.47 0.00 0.00 55.73 53.57 3hqm s ARG 121 Cb 0.09 0.36 -0.09 0.00 -0.57 0.00 0.00 34.95 34.74 3hqm s ARG 121 CO 0.49 -0.51 1.05 0.00 -1.08 0.00 0.00 175.30 175.25 3hqm s ALA 122 N -4.05 3.18 0.12 7.88 0.00 -1.26 -4.62 121.76 123.01 3hqm s ALA 122 Ca 0.32 0.73 0.07 0.00 0.00 0.00 0.00 51.96 53.08 3hqm s ALA 122 Cb 0.03 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3hqm s ALA 122 CO 0.11 -0.15 -0.09 0.71 0.00 0.00 0.00 175.76 176.34 3hqm s TYR 123 N -1.52 2.75 -0.29 0.00 2.02 -0.05 -4.81 117.35 115.45 3hqm s TYR 123 Ca 0.53 -0.16 -0.25 0.00 -0.37 0.00 0.00 57.07 56.83 3hqm s TYR 123 Cb -0.24 -1.41 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 3hqm s TYR 123 CO 0.31 0.45 0.84 0.50 -1.57 0.00 0.00 175.55 176.08 3hqm s ARG 124 N -2.37 4.04 -0.01 -0.62 3.52 -1.26 -1.48 118.95 120.76 3hqm s ARG 124 Ca 0.23 0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 56.58 3hqm s ARG 124 Cb -0.11 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 3hqm s ARG 124 CO 0.15 -0.67 0.07 -0.06 -0.81 0.00 0.00 175.30 173.98 3hqm s PHE 125 N 3.02 3.26 0.31 5.12 0.08 -0.21 -4.98 117.98 124.58 3hqm s PHE 125 Ca 0.35 0.20 0.07 0.00 0.12 0.00 0.00 56.93 57.67 3hqm s PHE 125 Cb -0.14 -1.74 -0.06 0.00 -0.57 0.00 0.00 43.02 40.51 3hqm s PHE 125 CO 0.11 0.54 -0.05 0.14 -0.10 0.00 0.00 175.22 175.86 3hqm s VAL 126 N -1.15 1.76 0.00 -0.44 -7.23 -1.26 -1.09 120.40 111.00 3hqm s VAL 126 Ca 0.21 -2.12 -0.36 0.00 -1.81 0.00 0.00 61.98 57.90 3hqm s VAL 126 Cb -0.12 -2.56 -0.15 0.00 0.56 0.00 0.00 36.38 34.11 3hqm s VAL 126 CO 0.12 -0.23 1.59 1.67 -0.31 0.00 0.00 175.10 177.95 3hqm n GLN 127 N -0.67 1.63 -0.55 4.82 7.27 -1.26 -1.52 117.38 127.11 3hqm n GLN 127 Ca -0.05 0.59 0.00 0.00 0.07 0.00 0.00 57.00 57.61 3hqm n GLN 127 Cb 0.64 -2.32 0.00 0.00 2.41 0.00 0.00 30.24 30.97 3hqm n GLN 127 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hqm n GLY 128 N 3.47 0.77 3.80 1.69 0.00 0.14 -5.03 105.19 110.03 3hqm n GLY 128 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3hqm n GLY 128 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hqm s LYS 129 N -0.45 3.91 0.26 1.61 2.47 -0.57 -4.90 119.74 122.06 3hqm s LYS 129 Ca 0.00 0.06 0.10 0.00 -1.56 0.00 0.00 55.97 54.58 3hqm s LYS 129 Cb 0.00 -3.30 -0.05 0.00 -1.46 0.00 0.00 37.83 33.02 3hqm s LYS 129 CO 0.00 0.52 -0.10 0.16 0.16 0.00 0.00 175.35 176.09 3hqm s ASP 130 N -0.39 4.10 0.02 1.43 1.47 -1.26 -1.64 116.67 120.40 3hqm s ASP 130 Ca 0.17 -0.79 -0.02 0.00 1.18 0.00 0.00 52.55 53.09 3hqm s ASP 130 Cb -0.13 -0.60 -0.01 0.00 -0.34 0.00 0.00 42.92 41.83 3hqm s ASP 130 CO 0.05 0.03 0.01 0.26 0.68 0.00 0.00 175.17 176.21 3hqm s TRP 131 N -2.28 0.21 -0.88 2.11 0.52 -0.56 -4.97 118.94 113.09 3hqm s TRP 131 Ca 0.29 -0.44 0.00 0.00 0.02 0.00 0.00 56.10 55.97 3hqm s TRP 131 Cb -0.06 -0.16 0.00 0.00 -1.15 0.00 0.00 33.47 32.10 3hqm s TRP 131 CO 0.17 -0.22 0.00 0.41 0.02 0.00 0.00 176.95 177.33 3hqm n GLY 132 N 1.52 -0.70 3.01 0.98 0.00 -1.26 -0.34 105.19 108.41 3hqm n GLY 132 Ca -0.23 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 3hqm n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hqm s PHE 133 N -3.70 2.79 0.34 1.61 0.08 0.10 -4.99 117.98 114.22 3hqm s PHE 133 Ca 0.00 -1.98 0.18 0.00 0.12 0.00 0.00 56.93 55.25 3hqm s PHE 133 Cb 0.00 -1.75 0.93 0.00 -0.57 0.00 0.00 43.02 41.63 3hqm s PHE 133 CO 0.00 -0.82 1.88 -0.22 -0.10 0.00 0.00 175.22 175.97 3hqm h LYS 134 N 7.88 0.00 -2.25 0.44 3.64 -1.89 -0.98 116.57 123.41 3hqm h LYS 134 Ca -0.20 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.58 3hqm h LYS 134 Cb 1.06 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 32.47 3hqm h LYS 134 CO 0.45 0.29 -0.56 1.63 -2.27 0.00 0.00 179.45 178.98 3hqm n LYS 135 N -3.87 2.96 -0.03 1.90 5.02 -1.26 -3.83 118.16 119.05 3hqm n LYS 135 Ca -0.02 -4.77 -0.13 0.00 -2.02 0.00 0.00 58.31 51.37 3hqm n LYS 135 Cb 0.37 -2.26 -0.09 0.00 -0.02 0.00 0.00 35.03 33.03 3hqm n LYS 135 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3hqm h PHE 136 N 3.63 0.17 -2.62 2.13 3.57 -1.19 -3.46 116.94 119.16 3hqm h PHE 136 Ca 0.17 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 3hqm h PHE 136 Cb 0.58 -0.03 -0.23 0.00 2.79 0.00 0.00 35.95 39.06 3hqm h PHE 136 CO 0.79 0.66 -0.16 -1.50 -2.23 0.00 0.00 178.31 175.87 3hqm s ILE 137 N -4.02 0.01 0.12 1.41 2.07 -1.21 -5.00 121.20 114.58 3hqm s ILE 137 Ca -0.15 -0.06 -0.31 0.00 -1.41 0.00 0.00 60.65 58.71 3hqm s ILE 137 Cb 0.02 -0.67 -0.09 0.00 0.13 0.00 0.00 42.46 41.86 3hqm s ILE 137 CO 0.71 -0.03 1.52 -0.60 -1.91 0.00 0.00 174.94 174.63 3hqm s ARG 138 N -0.05 4.25 0.24 3.50 3.52 -1.26 -1.10 118.95 128.05 3hqm s ARG 138 Ca -0.02 2.24 -0.06 0.00 -0.13 0.00 0.00 55.73 57.76 3hqm s ARG 138 Cb -0.03 -3.31 0.28 0.00 -1.56 0.00 0.00 34.95 30.33 3hqm s ARG 138 CO 0.02 -0.58 1.90 0.00 -0.81 0.00 0.00 175.30 175.82 3hqm h ARG 139 N 7.20 1.16 0.00 5.12 3.08 -1.06 -1.67 114.38 128.21 3hqm h ARG 139 Ca -0.42 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 3hqm h ARG 139 Cb 1.20 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 3hqm h ARG 139 CO 0.90 0.77 -0.05 0.78 -1.07 0.00 0.00 179.97 181.30 3hqm h GLY 140 N 1.20 0.00 0.00 0.04 0.00 -1.91 -0.48 103.07 101.92 3hqm h GLY 140 Ca 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 3hqm h GLY 140 CO -0.11 0.00 -0.21 -2.75 0.00 0.00 0.00 176.54 173.47 3hqm h PHE 141 N 0.00 0.00 -0.82 5.60 3.57 -1.75 -3.33 116.94 120.22 3hqm h PHE 141 Ca -0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3hqm h PHE 141 Cb 0.22 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 3hqm h PHE 141 CO 0.00 0.39 0.51 1.25 -2.23 0.00 0.00 178.31 178.23 3hqm h LEU 142 N -1.00 0.81 -0.11 0.59 5.85 -1.14 -2.66 115.31 117.64 3hqm h LEU 142 Ca -0.03 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3hqm h LEU 142 Cb 0.46 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3hqm h LEU 142 CO -0.02 0.53 -0.05 0.18 -0.34 0.00 0.00 178.44 178.75 3hqm n LEU 143 N -4.63 0.22 -4.64 2.25 4.77 -0.20 -4.63 117.00 110.14 3hqm n LEU 143 Ca 0.11 0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.79 3hqm n LEU 143 Cb 0.14 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 3hqm n LEU 143 CO 0.32 0.04 0.61 -0.62 -1.33 0.00 0.00 177.39 176.41 3hqm s ASP 144 N -2.45 6.77 0.49 -1.43 -1.08 -1.01 -4.93 116.67 113.03 3hqm s ASP 144 Ca 0.31 0.93 0.24 0.00 -0.52 0.00 0.00 52.55 53.52 3hqm s ASP 144 Cb 0.20 -2.42 1.30 0.00 -1.46 0.00 0.00 42.92 40.55 3hqm s ASP 144 CO 0.45 -0.52 1.91 1.05 0.52 0.00 0.00 175.17 178.59 3hqm h GLU 145 N 7.78 0.16 0.00 4.34 -0.00 -1.88 -2.02 114.58 122.96 3hqm h GLU 145 Ca -0.24 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 59.10 3hqm h GLU 145 Cb 1.10 -0.04 -0.00 0.00 -0.00 0.00 0.00 28.75 29.81 3hqm h GLU 145 CO 0.86 0.11 -0.06 0.00 -0.00 0.00 0.00 179.01 179.92 3hqm h ALA 146 N 1.62 1.57 0.00 1.06 0.00 -1.94 -2.04 119.26 119.53 3hqm h ALA 146 Ca 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3hqm h ALA 146 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hqm h ALA 146 CO -0.07 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.35 3hqm n ASN 147 N -3.99 0.79 -1.52 0.00 5.03 -0.76 -4.94 115.26 109.86 3hqm n ASN 147 Ca -0.03 0.58 -0.16 0.00 0.87 0.00 0.00 54.58 55.84 3hqm n ASN 147 Cb 0.15 -0.79 -0.04 0.00 -1.02 0.00 0.00 39.78 38.08 3hqm n ASN 147 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hqm n GLY 148 N 1.20 0.78 0.58 7.41 0.00 -0.77 -4.90 105.19 109.49 3hqm n GLY 148 Ca 0.05 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.98 3hqm n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hqm n LEU 149 N -2.07 1.88 -3.08 0.99 4.77 -1.26 -4.24 117.00 113.99 3hqm n LEU 149 Ca -0.18 -0.62 -0.26 0.00 -0.03 0.00 0.00 56.01 54.92 3hqm n LEU 149 Cb 0.59 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.61 3hqm n LEU 149 CO 0.24 0.32 0.08 0.18 -1.33 0.00 0.00 177.39 176.88 3hqm n LEU 150 N 0.38 3.83 -4.74 2.23 4.77 -1.26 -4.62 117.00 117.59 3hqm n LEU 150 Ca 0.16 -5.54 -0.41 0.00 -0.03 0.00 0.00 56.01 50.19 3hqm n LEU 150 Cb 0.43 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3hqm n LEU 150 CO 0.18 2.28 1.09 -2.16 -1.33 0.00 0.00 177.39 177.44 3hqm s PRO 151 N -3.09 4.30 -1.56 3.23 0.04 -1.24 -1.40 135.00 135.28 3hqm s PRO 151 Ca 0.46 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.73 3hqm s PRO 151 Cb 0.26 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.65 3hqm s PRO 151 CO -0.11 -0.40 0.00 -0.25 0.04 0.00 0.00 177.00 176.28 3hqm n ASP 152 N 2.71 -4.88 -2.41 6.66 8.00 -1.26 -1.61 116.55 123.76 3hqm n ASP 152 Ca 0.08 0.17 -0.19 0.00 0.71 0.00 0.00 54.79 55.56 3hqm n ASP 152 Cb 0.41 -4.17 0.01 0.00 -0.02 0.00 0.00 41.12 37.35 3hqm n ASP 152 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hqm n ASP 153 N -1.65 -5.49 -4.42 -2.24 2.03 -0.49 -4.69 116.55 99.60 3hqm n ASP 153 Ca -0.19 -0.14 -0.33 0.00 0.52 0.00 0.00 54.79 54.64 3hqm n ASP 153 Cb 0.63 -4.42 -0.14 0.00 -0.72 0.00 0.00 41.12 36.47 3hqm n ASP 153 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3hqm s LYS 154 N -5.26 3.19 -0.24 -0.67 1.02 -0.64 -0.99 119.74 116.15 3hqm s LYS 154 Ca 0.14 -0.66 -0.13 0.00 0.02 0.00 0.00 55.97 55.34 3hqm s LYS 154 Cb -0.06 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 3hqm s LYS 154 CO 0.18 0.33 0.28 -1.17 -0.92 0.00 0.00 175.35 174.05 3hqm s LEU 155 N 0.05 4.10 -0.23 3.17 2.96 -0.56 -3.68 118.68 124.48 3hqm s LEU 155 Ca -0.04 0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 54.09 3hqm s LEU 155 Cb -0.14 -2.30 0.01 0.00 0.50 0.00 0.00 46.19 44.26 3hqm s LEU 155 CO 0.04 -0.05 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.07 3hqm s THR 156 N 1.46 3.01 0.02 3.68 2.01 -1.26 -0.07 115.64 124.49 3hqm s THR 156 Ca 0.12 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.35 3hqm s THR 156 Cb -0.15 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 3hqm s THR 156 CO 0.08 0.32 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.52 3hqm s LEU 157 N 1.39 3.28 -0.08 4.42 1.43 0.44 -0.84 118.68 128.72 3hqm s LEU 157 Ca 0.03 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 3hqm s LEU 157 Cb -0.15 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.17 3hqm s LEU 157 CO -0.05 0.26 -0.13 0.12 0.23 0.00 0.00 176.35 176.79 3hqm s PHE 158 N -1.06 1.61 -0.10 0.29 5.36 0.36 -0.29 117.98 124.14 3hqm s PHE 158 Ca 0.19 -0.66 0.04 0.00 -0.96 0.00 0.00 56.93 55.53 3hqm s PHE 158 Cb -0.11 -1.19 -0.00 0.00 -0.34 0.00 0.00 43.02 41.38 3hqm s PHE 158 CO 0.10 -0.36 -0.23 0.00 -1.46 0.00 0.00 175.22 173.27 3hqm s GLU 160 N 0.33 2.55 -0.02 0.00 2.02 -0.37 -0.93 118.70 122.28 3hqm s GLU 160 Ca -0.18 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.06 3hqm s GLU 160 Cb -0.18 -2.29 -0.01 0.00 0.10 0.00 0.00 34.13 31.75 3hqm s GLU 160 CO 0.09 0.50 -0.14 0.08 0.02 0.00 0.00 175.26 175.80 3hqm s VAL 161 N -0.43 1.13 -0.23 2.63 1.01 0.17 -1.07 120.40 123.60 3hqm s VAL 161 Ca 0.05 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3hqm s VAL 161 Cb -0.12 -0.95 0.06 0.00 0.00 0.00 0.00 36.38 35.37 3hqm s VAL 161 CO 0.02 0.32 -0.04 -0.44 0.00 0.00 0.00 175.10 174.95 3hqm s SER 162 N -0.23 3.80 -0.11 3.32 0.01 0.09 -1.34 113.70 119.24 3hqm s SER 162 Ca 0.04 -1.17 -0.18 0.00 1.31 0.00 0.00 55.95 55.95 3hqm s SER 162 Cb -0.07 -1.14 -0.04 0.00 0.21 0.00 0.00 66.02 64.98 3hqm s SER 162 CO -0.00 -0.24 0.49 -0.69 0.41 0.00 0.00 173.24 173.20 3hqm s VAL 163 N 1.42 5.17 -2.67 3.43 1.01 -0.25 -0.93 120.40 127.58 3hqm s VAL 163 Ca -0.05 0.98 0.21 0.00 0.00 0.00 0.00 61.98 63.12 3hqm s VAL 163 Cb -0.19 -3.83 0.17 0.00 0.00 0.00 0.00 36.38 32.53 3hqm s VAL 163 CO -0.06 0.33 1.18 0.52 0.00 0.00 0.00 175.10 177.06