#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hql s VAL 29 N 0.00 1.65 -0.09 0.00 0.11 -1.26 -4.43 120.40 116.39 3hql s VAL 29 Ca 0.00 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.24 3hql s VAL 29 Cb 0.00 -1.43 0.02 0.00 -1.53 0.00 0.00 36.38 33.44 3hql s VAL 29 CO 0.00 0.47 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.47 3hql s VAL 30 N 0.22 0.93 -0.04 2.04 1.01 -0.04 -5.00 120.40 119.51 3hql s VAL 30 Ca -0.10 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.65 3hql s VAL 30 Cb -0.15 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.30 3hql s VAL 30 CO 0.05 0.34 -0.16 -0.75 0.00 0.00 0.00 175.10 174.57 3hql s LYS 31 N 1.39 1.68 0.29 2.72 2.20 -1.26 -0.25 119.74 126.51 3hql s LYS 31 Ca -0.02 -0.58 -0.14 0.00 -0.36 0.00 0.00 55.97 54.88 3hql s LYS 31 Cb -0.14 -1.47 0.01 0.00 -1.51 0.00 0.00 37.83 34.73 3hql s LYS 31 CO -0.04 0.24 0.59 -0.59 -0.36 0.00 0.00 175.35 175.19 3hql s PHE 32 N 0.04 0.28 0.18 4.03 -0.12 -0.40 -5.01 117.98 116.98 3hql s PHE 32 Ca -0.03 -0.70 -0.09 0.00 -0.05 0.00 0.00 56.93 56.06 3hql s PHE 32 Cb -0.11 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.66 3hql s PHE 32 CO 0.02 -1.17 0.29 -1.54 -0.05 0.00 0.00 175.22 172.77 3hql s SER 33 N -3.03 0.04 -0.13 1.98 1.04 -1.26 -0.41 113.70 111.93 3hql s SER 33 Ca 0.19 -0.94 -0.08 0.00 0.48 0.00 0.00 55.95 55.60 3hql s SER 33 Cb -0.03 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.59 3hql s SER 33 CO 0.10 -0.92 0.31 -0.47 0.98 0.00 0.00 173.24 173.25 3hql s TYR 34 N -4.00 -0.41 -0.23 5.02 5.04 -0.21 -4.96 117.35 117.61 3hql s TYR 34 Ca 0.20 0.94 -0.07 0.00 -2.44 0.00 0.00 57.07 55.70 3hql s TYR 34 Cb 0.03 0.13 -0.03 0.00 0.35 0.00 0.00 41.96 42.44 3hql s TYR 34 CO 0.03 -0.24 0.07 1.41 -1.34 0.00 0.00 175.55 175.47 3hql s MET 35 N 0.90 3.75 -0.26 4.97 -2.45 -1.26 -0.88 119.30 124.07 3hql s MET 35 Ca -0.06 -0.44 -0.04 0.00 -1.25 0.00 0.00 55.69 53.90 3hql s MET 35 Cb -0.07 -3.28 0.02 0.00 1.25 0.00 0.00 34.83 32.75 3hql s MET 35 CO -0.06 -0.04 -0.00 -0.46 1.05 0.00 0.00 175.02 175.51 3hql s TRP 36 N 1.20 3.09 -0.25 4.11 -0.00 0.01 -4.98 118.94 122.11 3hql s TRP 36 Ca 0.04 -1.26 -0.09 0.00 -0.00 0.00 0.00 56.10 54.80 3hql s TRP 36 Cb -0.14 -2.14 -0.04 0.00 -0.00 0.00 0.00 33.47 31.14 3hql s TRP 36 CO 0.03 -0.65 0.13 0.99 -0.00 0.00 0.00 176.95 177.45 3hql s THR 37 N 1.41 4.89 -0.37 5.86 2.01 -1.26 -0.60 115.64 127.58 3hql s THR 37 Ca 0.02 0.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.94 3hql s THR 37 Cb -0.17 -3.30 0.03 0.00 0.01 0.00 0.00 72.50 69.08 3hql s THR 37 CO -0.02 0.31 0.18 -0.63 -0.69 0.00 0.00 174.62 173.78 3hql s ILE 38 N 1.49 4.35 0.51 1.82 1.01 0.86 -4.97 121.20 126.27 3hql s ILE 38 Ca 0.06 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.60 3hql s ILE 38 Cb -0.15 -3.44 -0.08 0.00 0.01 0.00 0.00 42.46 38.80 3hql s ILE 38 CO 0.07 -0.22 0.99 0.20 0.00 0.00 0.00 174.94 175.97 3hql s ASN 39 N 1.51 6.60 -1.45 3.58 0.02 -1.26 -1.25 114.94 122.70 3hql s ASN 39 Ca 0.01 1.61 -0.08 0.00 -1.02 0.00 0.00 52.86 53.38 3hql s ASN 39 Cb -0.19 -2.52 0.05 0.00 0.02 0.00 0.00 41.25 38.61 3hql s ASN 39 CO 0.06 -0.60 0.84 0.59 0.02 0.00 0.00 177.10 178.01 3hql n ASN 40 N -1.47 -3.19 -0.26 -1.22 3.02 -0.76 -4.86 115.26 106.52 3hql n ASN 40 Ca 0.07 -0.81 0.02 0.00 -0.03 0.00 0.00 54.58 53.83 3hql n ASN 40 Cb 0.54 -3.86 0.24 0.00 -0.61 0.00 0.00 39.78 36.09 3hql n ASN 40 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3hql h PHE 41 N -1.98 1.00 0.00 3.10 3.57 -1.13 -1.33 116.94 120.16 3hql h PHE 41 Ca -0.59 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 60.93 3hql h PHE 41 Cb 1.37 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 3hql h PHE 41 CO 0.53 0.58 -0.01 0.66 -2.23 0.00 0.00 178.31 177.84 3hql h SER 42 N 1.03 0.00 0.62 0.41 4.64 -1.89 -1.97 113.55 116.39 3hql h SER 42 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3hql h SER 42 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3hql h SER 42 CO -0.10 0.01 -0.38 0.49 -0.87 0.00 0.00 176.83 175.98 3hql n PHE 43 N -3.19 0.00 -1.65 4.77 3.72 -0.50 -4.93 117.46 115.68 3hql n PHE 43 Ca -0.02 0.00 -0.56 0.00 -0.05 0.00 0.00 57.45 56.82 3hql n PHE 43 Cb 0.13 -0.31 -0.07 0.00 -0.94 0.00 0.00 39.48 38.29 3hql n PHE 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hql n ARG 45 N 3.84 2.61 -1.69 0.00 1.74 -1.26 -4.98 116.66 116.92 3hql n ARG 45 Ca 0.23 -2.46 -0.45 0.00 -0.77 0.00 0.00 57.85 54.40 3hql n ARG 45 Cb 0.15 -1.54 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 3hql n ARG 45 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3hql n GLU 46 N 1.58 2.40 -2.61 5.56 4.71 -1.26 -4.99 120.64 126.03 3hql n GLU 46 Ca 0.22 0.87 -0.23 0.00 -0.01 0.00 0.00 57.16 58.01 3hql n GLU 46 Cb 0.62 -2.68 0.09 0.00 -1.01 0.00 0.00 31.44 28.46 3hql n GLU 46 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3hql s GLU 47 N 1.32 1.95 0.04 3.49 0.41 -1.26 -4.48 118.70 120.17 3hql s GLU 47 Ca 0.79 -1.02 -0.37 0.00 -0.41 0.00 0.00 54.97 53.95 3hql s GLU 47 Cb -0.61 -2.38 -0.17 0.00 -1.78 0.00 0.00 34.13 29.19 3hql s GLU 47 CO 0.37 -1.22 1.36 -0.12 -0.49 0.00 0.00 175.26 175.16 3hql n MET 48 N -2.68 1.06 0.00 1.61 1.56 -1.26 -1.20 117.12 116.22 3hql n MET 48 Ca 0.13 0.38 0.00 0.00 -0.27 0.00 0.00 57.70 57.94 3hql n MET 48 Cb 0.60 -2.02 0.00 0.00 2.15 0.00 0.00 33.22 33.95 3hql n MET 48 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3hql n GLY 49 N 2.61 2.52 3.82 -5.12 0.00 0.08 -4.98 105.19 104.12 3hql n GLY 49 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3hql n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hql s GLU 50 N -0.65 4.24 0.07 1.61 2.02 -0.34 -4.99 118.70 120.67 3hql s GLU 50 Ca 0.00 0.95 0.08 0.00 0.02 0.00 0.00 54.97 56.02 3hql s GLU 50 Cb 0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.58 3hql s GLU 50 CO 0.00 0.23 -0.22 0.54 0.02 0.00 0.00 175.26 175.83 3hql s VAL 51 N -1.78 1.79 -0.13 2.63 0.11 -1.26 -4.24 120.40 117.52 3hql s VAL 51 Ca 0.51 -1.37 0.01 0.00 -2.93 0.00 0.00 61.98 58.19 3hql s VAL 51 Cb -0.14 -1.58 -0.01 0.00 -1.53 0.00 0.00 36.38 33.13 3hql s VAL 51 CO 0.19 0.14 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.32 3hql s ILE 52 N -0.93 2.80 0.14 7.04 1.01 0.06 -4.98 121.20 126.34 3hql s ILE 52 Ca 0.08 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 60.02 3hql s ILE 52 Cb -0.09 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 3hql s ILE 52 CO 0.03 0.53 0.22 -1.59 0.00 0.00 0.00 174.94 174.12 3hql s LYS 53 N 0.47 3.23 0.70 2.79 -2.85 -1.26 -0.85 119.74 121.97 3hql s LYS 53 Ca -0.11 -0.67 -0.05 0.00 -1.00 0.00 0.00 55.97 54.14 3hql s LYS 53 Cb -0.16 -2.86 0.08 0.00 -2.06 0.00 0.00 37.83 32.83 3hql s LYS 53 CO 0.05 0.52 0.99 -1.54 0.10 0.00 0.00 175.35 175.47 3hql s SER 54 N -3.05 4.66 0.82 0.03 1.04 0.02 -4.99 113.70 112.23 3hql s SER 54 Ca 0.33 0.17 -0.12 0.00 0.48 0.00 0.00 55.95 56.82 3hql s SER 54 Cb -0.11 -0.76 0.09 0.00 0.10 0.00 0.00 66.02 65.33 3hql s SER 54 CO 0.26 -1.66 1.16 -0.44 0.98 0.00 0.00 173.24 173.54 3hql s SER 55 N -4.58 3.72 0.52 7.02 0.01 -1.26 -4.65 113.70 114.48 3hql s SER 55 Ca 0.62 2.17 -0.17 0.00 1.31 0.00 0.00 55.95 59.89 3hql s SER 55 Cb -0.09 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.50 3hql s SER 55 CO 0.44 -2.57 1.00 0.42 0.41 0.00 0.00 173.24 172.93 3hql s THR 56 N -2.46 4.40 0.19 1.44 -4.23 -1.26 -4.54 115.64 109.18 3hql s THR 56 Ca 0.68 1.17 -0.07 0.00 -1.18 0.00 0.00 61.69 62.30 3hql s THR 56 Cb -0.24 -3.66 -0.02 0.00 1.34 0.00 0.00 72.50 69.92 3hql s THR 56 CO 0.53 -0.64 0.26 0.72 -0.54 0.00 0.00 174.62 174.94 3hql s PHE 57 N -2.57 0.65 0.22 3.99 -0.12 0.38 -4.93 117.98 115.61 3hql s PHE 57 Ca 0.60 -0.98 -0.01 0.00 -0.05 0.00 0.00 56.93 56.48 3hql s PHE 57 Cb -0.11 -0.19 0.01 0.00 -0.63 0.00 0.00 43.02 42.10 3hql s PHE 57 CO 0.31 -0.73 0.32 -1.13 -0.05 0.00 0.00 175.22 173.93 3hql n SER 58 N -0.25 -0.88 0.08 1.98 3.41 -1.26 -0.59 113.62 116.11 3hql n SER 58 Ca -0.03 -2.20 -0.21 0.00 -0.26 0.00 0.00 58.87 56.17 3hql n SER 58 Cb 0.64 1.64 -0.15 0.00 -0.26 0.00 0.00 64.21 66.08 3hql n SER 58 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hql h SER 59 N 1.25 0.56 0.00 4.04 4.64 -1.96 -3.46 113.55 118.63 3hql h SER 59 Ca -0.17 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 3hql h SER 59 Cb 0.76 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3hql h SER 59 CO 0.24 1.63 0.00 0.47 -0.87 0.00 0.00 176.83 178.29 3hql n ASP 63 N -3.55 0.12 0.00 4.97 8.00 -1.26 -5.02 116.55 119.81 3hql n ASP 63 Ca -0.20 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.37 3hql n ASP 63 Cb 1.07 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.17 3hql n ASP 63 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hql n LYS 64 N -2.72 0.00 -3.57 -1.24 4.76 -1.26 -4.96 118.16 109.18 3hql n LYS 64 Ca 0.00 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.06 3hql n LYS 64 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 3hql n LYS 64 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3hql s LEU 65 N 0.00 4.46 -0.04 -0.35 1.02 -1.26 -4.38 118.68 118.13 3hql s LEU 65 Ca 0.00 0.88 0.04 0.00 0.02 0.00 0.00 54.13 55.06 3hql s LEU 65 Cb 0.00 -2.51 0.00 0.00 0.02 0.00 0.00 46.19 43.70 3hql s LEU 65 CO 0.00 0.34 -0.14 -0.54 0.02 0.00 0.00 176.35 176.02 3hql s LYS 66 N -1.09 1.56 0.24 1.70 1.02 -0.56 -4.62 119.74 117.97 3hql s LYS 66 Ca 0.23 -0.50 0.10 0.00 0.02 0.00 0.00 55.97 55.81 3hql s LYS 66 Cb -0.16 -1.36 -0.05 0.00 -0.52 0.00 0.00 37.83 35.74 3hql s LYS 66 CO 0.12 0.18 -0.18 -1.58 -0.92 0.00 0.00 175.35 172.98 3hql s TRP 67 N 0.15 2.01 0.18 3.18 0.52 0.24 -0.57 118.94 124.66 3hql s TRP 67 Ca -0.05 -0.45 -0.08 0.00 0.02 0.00 0.00 56.10 55.54 3hql s TRP 67 Cb -0.11 -0.90 -0.01 0.00 -1.15 0.00 0.00 33.47 31.29 3hql s TRP 67 CO 0.02 0.53 0.29 0.00 0.02 0.00 0.00 176.95 177.81 3hql s LEU 69 N -3.00 4.02 -0.07 0.00 1.43 -1.26 -0.58 118.68 119.21 3hql s LEU 69 Ca 0.20 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.23 3hql s LEU 69 Cb 0.03 -2.60 0.04 0.00 0.03 0.00 0.00 46.19 43.69 3hql s LEU 69 CO 0.03 0.03 0.17 -0.60 0.23 0.00 0.00 176.35 176.21 3hql s ARG 70 N -3.35 0.12 0.02 1.70 3.52 -0.68 -0.80 118.95 119.47 3hql s ARG 70 Ca 0.33 0.40 0.06 0.00 -0.13 0.00 0.00 55.73 56.39 3hql s ARG 70 Cb -0.10 -0.16 -0.02 0.00 -1.56 0.00 0.00 34.95 33.12 3hql s ARG 70 CO 0.26 -0.16 -0.18 0.54 -0.81 0.00 0.00 175.30 174.95 3hql s VAL 71 N 1.15 1.44 -0.44 7.11 0.11 -0.03 -1.28 120.40 128.46 3hql s VAL 71 Ca -0.09 -0.96 -0.08 0.00 -2.93 0.00 0.00 61.98 57.93 3hql s VAL 71 Cb -0.11 -1.24 0.10 0.00 -1.53 0.00 0.00 36.38 33.61 3hql s VAL 71 CO -0.06 0.26 0.28 0.20 -3.33 0.00 0.00 175.10 172.45 3hql s ASN 72 N -0.82 5.57 0.53 3.54 0.01 -0.20 -0.76 114.94 122.81 3hql s ASN 72 Ca 0.06 -1.81 0.22 0.00 -0.71 0.00 0.00 52.86 50.63 3hql s ASN 72 Cb -0.08 -1.96 1.38 0.00 0.41 0.00 0.00 41.25 41.00 3hql s ASN 72 CO 0.01 -0.61 2.06 -0.65 -1.51 0.00 0.00 177.10 176.39 3hql h PRO 73 N 8.35 0.00 -0.29 -0.60 0.11 -1.86 -2.04 132.00 135.67 3hql h PRO 73 Ca -0.20 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.72 3hql h PRO 73 Cb 1.07 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.05 3hql h PRO 73 CO 0.79 0.00 -0.43 1.63 -0.21 0.00 0.00 178.00 179.78 3hql n LYS 74 N -4.38 2.14 -0.01 1.05 5.02 -1.26 -4.29 118.16 116.43 3hql n LYS 74 Ca 0.05 -3.48 0.00 0.00 -2.02 0.00 0.00 58.31 52.86 3hql n LYS 74 Cb 0.41 -1.84 -0.00 0.00 -0.02 0.00 0.00 35.03 33.58 3hql n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hql n GLY 75 N -1.02 -2.24 0.10 0.72 0.00 -0.56 -4.10 105.19 98.09 3hql n GLY 75 Ca 0.30 -1.48 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 3hql n GLY 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hql h LEU 76 N -0.01 0.37 0.00 0.99 5.85 -1.84 0.27 115.31 120.94 3hql h LEU 76 Ca -0.00 -0.40 -0.07 0.00 0.84 0.00 0.00 57.88 58.25 3hql h LEU 76 Cb 0.01 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3hql h LEU 76 CO 0.00 1.32 0.13 -0.90 -0.34 0.00 0.00 178.44 178.65 3hql n ASP 77 N -3.50 -1.60 -0.34 1.25 5.68 -1.26 -4.05 116.55 112.73 3hql n ASP 77 Ca -0.08 -2.30 0.05 0.00 -0.50 0.00 0.00 54.79 51.96 3hql n ASP 77 Cb 1.02 2.72 0.21 0.00 -1.14 0.00 0.00 41.12 43.93 3hql n ASP 77 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3hql h GLU 78 N 0.00 0.92 0.00 0.11 4.57 -1.95 -1.43 114.58 116.81 3hql h GLU 78 Ca -0.25 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 3hql h GLU 78 Cb 0.95 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 3hql h GLU 78 CO 0.32 0.61 -0.10 1.49 -1.18 0.00 0.00 179.01 180.15 3hql h GLU 79 N 0.95 0.00 -0.25 1.92 4.81 -2.00 -3.01 114.58 117.00 3hql h GLU 79 Ca 0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 3hql h GLU 79 Cb 0.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3hql h GLU 79 CO -0.25 0.10 0.00 -1.13 -0.73 0.00 0.00 179.01 177.00 3hql n SER 80 N -4.38 3.57 0.28 1.04 3.41 -0.61 -4.70 113.62 112.23 3hql n SER 80 Ca -0.03 -2.84 0.15 0.00 -0.26 0.00 0.00 58.87 55.89 3hql n SER 80 Cb 0.17 -0.48 0.89 0.00 -0.26 0.00 0.00 64.21 64.54 3hql n SER 80 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3hql h LYS 81 N 1.65 0.00 -0.31 4.33 1.57 -1.23 -0.76 116.57 121.83 3hql h LYS 81 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hql h LYS 81 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3hql h LYS 81 CO 0.17 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.80 3hql n ASP 82 N -3.88 1.94 -4.23 0.86 8.00 -1.26 -4.52 116.55 113.46 3hql n ASP 82 Ca -0.02 -1.90 -0.16 0.00 0.71 0.00 0.00 54.79 53.42 3hql n ASP 82 Cb 0.12 -0.20 -0.11 0.00 -0.02 0.00 0.00 41.12 40.91 3hql n ASP 82 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hql s TYR 83 N -1.59 1.30 0.07 1.24 2.02 -0.29 -0.99 117.35 119.10 3hql s TYR 83 Ca 0.28 -0.63 -0.30 0.00 -0.37 0.00 0.00 57.07 56.06 3hql s TYR 83 Cb 0.15 -0.68 -0.05 0.00 -0.40 0.00 0.00 41.96 40.99 3hql s TYR 83 CO 0.21 0.11 0.96 -0.51 -1.57 0.00 0.00 175.55 174.74 3hql s LEU 84 N -2.66 4.45 -0.15 -1.29 1.02 -0.44 -1.49 118.68 118.11 3hql s LEU 84 Ca 0.10 1.73 -0.07 0.00 0.02 0.00 0.00 54.13 55.91 3hql s LEU 84 Cb -0.02 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.58 3hql s LEU 84 CO 0.02 -0.13 0.10 -0.44 0.02 0.00 0.00 176.35 175.92 3hql s SER 85 N 0.37 6.02 -0.05 2.29 0.01 -0.87 -1.30 113.70 120.17 3hql s SER 85 Ca 0.48 0.27 0.00 0.00 1.31 0.00 0.00 55.95 58.02 3hql s SER 85 Cb -0.22 -1.98 0.02 0.00 0.21 0.00 0.00 66.02 64.05 3hql s SER 85 CO 0.29 0.29 -0.03 -0.22 0.41 0.00 0.00 173.24 173.98 3hql s LEU 86 N -0.32 1.14 0.09 2.44 2.96 -0.34 -1.03 118.68 123.62 3hql s LEU 86 Ca 0.10 -0.11 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 3hql s LEU 86 Cb -0.12 -0.44 -0.03 0.00 0.50 0.00 0.00 46.19 46.10 3hql s LEU 86 CO 0.01 -0.09 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.53 3hql s TYR 87 N 1.19 1.10 -0.19 5.38 2.02 -0.41 -0.50 117.35 125.94 3hql s TYR 87 Ca -0.07 -0.60 -0.08 0.00 -0.37 0.00 0.00 57.07 55.95 3hql s TYR 87 Cb -0.14 -0.60 -0.04 0.00 -0.40 0.00 0.00 41.96 40.78 3hql s TYR 87 CO -0.02 0.02 0.09 -1.17 -1.57 0.00 0.00 175.55 172.90 3hql s LEU 88 N -2.27 3.93 -0.11 -1.29 2.96 0.21 -1.69 118.68 120.42 3hql s LEU 88 Ca 0.03 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 3hql s LEU 88 Cb -0.05 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 3hql s LEU 88 CO 0.01 0.16 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.82 3hql s LEU 89 N 0.47 2.56 -0.43 -0.68 2.96 0.25 -1.77 118.68 122.04 3hql s LEU 89 Ca 0.05 -0.36 -0.22 0.00 -0.22 0.00 0.00 54.13 53.38 3hql s LEU 89 Cb -0.12 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.04 3hql s LEU 89 CO 0.00 0.20 0.72 -0.22 -1.32 0.00 0.00 176.35 175.74 3hql s LEU 90 N 0.12 4.32 -0.10 -0.68 2.96 -0.63 -1.10 118.68 123.57 3hql s LEU 90 Ca -0.08 -0.12 -0.20 0.00 -0.22 0.00 0.00 54.13 53.52 3hql s LEU 90 Cb -0.15 -2.87 -0.28 0.00 0.50 0.00 0.00 46.19 43.39 3hql s LEU 90 CO 0.05 -0.82 0.65 0.58 -1.32 0.00 0.00 176.35 175.49 3hql h VAL 91 N 5.90 1.25 -3.71 1.68 2.07 -1.16 0.50 116.25 122.78 3hql h VAL 91 Ca -0.25 -2.42 -0.29 0.00 0.82 0.00 0.00 66.70 64.57 3hql h VAL 91 Cb 1.09 2.89 -0.30 0.00 -1.52 0.00 0.00 31.29 33.45 3hql h VAL 91 CO 0.92 0.66 -0.74 -0.44 0.02 0.00 0.00 177.57 178.00 3hql s SER 92 N -6.91 0.26 -0.25 0.57 0.01 -0.88 -4.33 113.70 102.17 3hql s SER 92 Ca -0.19 -0.03 -0.09 0.00 1.31 0.00 0.00 55.95 56.96 3hql s SER 92 Cb 0.03 -0.07 0.11 0.00 0.21 0.00 0.00 66.02 66.29 3hql s SER 92 CO 0.76 -0.02 0.54 0.00 0.41 0.00 0.00 173.24 174.93 3hql h PRO 94 N 7.95 0.47 -7.51 0.00 0.15 -1.99 -3.46 132.00 127.60 3hql h PRO 94 Ca -0.19 -0.31 -0.46 0.00 0.15 0.00 0.00 66.00 65.19 3hql h PRO 94 Cb 1.12 0.04 0.10 0.00 0.15 0.00 0.00 31.00 32.41 3hql h PRO 94 CO 0.12 0.91 0.33 -1.59 0.15 0.00 0.00 178.00 177.93 3hql s LYS 95 N -3.91 1.80 0.24 0.86 -2.85 -1.26 -4.99 119.74 109.63 3hql s LYS 95 Ca -0.06 -0.18 -0.06 0.00 -1.00 0.00 0.00 55.97 54.67 3hql s LYS 95 Cb 0.11 -2.03 0.25 0.00 -2.06 0.00 0.00 37.83 34.10 3hql s LYS 95 CO 0.83 -1.60 1.88 1.03 0.10 0.00 0.00 175.35 177.59 3hql h SER 96 N -0.97 1.11 -5.04 0.03 0.87 -1.97 -3.46 113.55 104.13 3hql h SER 96 Ca -0.45 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.00 3hql h SER 96 Cb 1.30 -0.28 -0.12 0.00 -0.44 0.00 0.00 62.40 62.86 3hql h SER 96 CO 0.58 0.87 0.08 -1.61 -0.53 0.00 0.00 176.83 176.21 3hql s GLU 97 N -5.88 1.19 0.01 2.24 0.41 -1.26 -4.66 118.70 110.75 3hql s GLU 97 Ca -0.13 -0.59 0.00 0.00 -0.41 0.00 0.00 54.97 53.85 3hql s GLU 97 Cb 0.17 0.53 -0.01 0.00 -1.78 0.00 0.00 34.13 33.04 3hql s GLU 97 CO 0.82 -0.50 -0.02 0.54 -0.49 0.00 0.00 175.26 175.61 3hql s VAL 98 N -3.78 0.14 -0.20 2.63 0.11 -0.20 -5.00 120.40 114.10 3hql s VAL 98 Ca 0.02 -0.45 -0.04 0.00 -2.93 0.00 0.00 61.98 58.58 3hql s VAL 98 Cb 0.00 -0.20 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 3hql s VAL 98 CO -0.12 -0.19 -0.02 -0.13 -3.33 0.00 0.00 175.10 171.30 3hql s ARG 99 N -0.67 3.51 -0.00 1.54 0.52 -1.26 -0.50 118.95 122.09 3hql s ARG 99 Ca -0.06 -0.57 0.01 0.00 -0.52 0.00 0.00 55.73 54.59 3hql s ARG 99 Cb -0.05 -3.02 -0.00 0.00 0.52 0.00 0.00 34.95 32.40 3hql s ARG 99 CO -0.00 -0.05 -0.03 0.00 0.02 0.00 0.00 175.30 175.23 3hql s ALA 100 N 1.13 0.29 0.17 2.13 0.00 -0.57 -3.53 121.76 121.39 3hql s ALA 100 Ca 0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.80 3hql s ALA 100 Cb -0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 3hql s ALA 100 CO 0.00 0.07 0.41 0.15 0.00 0.00 0.00 175.76 176.39 3hql s LYS 101 N -0.04 3.62 0.08 0.00 1.02 -0.34 -0.75 119.74 123.34 3hql s LYS 101 Ca 0.01 -0.09 -0.08 0.00 0.02 0.00 0.00 55.97 55.83 3hql s LYS 101 Cb -0.02 -2.81 -0.00 0.00 -0.52 0.00 0.00 37.83 34.48 3hql s LYS 101 CO -0.00 0.42 0.17 -0.59 -0.92 0.00 0.00 175.35 174.43 3hql s PHE 102 N -1.75 0.18 -0.05 3.18 -0.12 -1.26 -0.99 117.98 117.17 3hql s PHE 102 Ca 0.41 -0.62 -0.03 0.00 -0.05 0.00 0.00 56.93 56.65 3hql s PHE 102 Cb -0.12 -0.09 0.03 0.00 -0.63 0.00 0.00 43.02 42.21 3hql s PHE 102 CO 0.26 -0.53 0.11 0.21 -0.05 0.00 0.00 175.22 175.22 3hql s LYS 103 N -3.83 0.09 0.04 1.99 2.20 -0.21 -0.56 119.74 119.45 3hql s LYS 103 Ca 0.05 0.25 0.08 0.00 -0.36 0.00 0.00 55.97 55.99 3hql s LYS 103 Cb 0.05 -0.09 -0.03 0.00 -1.51 0.00 0.00 37.83 36.25 3hql s LYS 103 CO -0.11 -0.10 -0.22 -0.06 -0.36 0.00 0.00 175.35 174.50 3hql s PHE 104 N 0.70 2.44 0.23 4.03 0.08 -0.18 -1.14 117.98 124.13 3hql s PHE 104 Ca -0.05 -0.33 -0.06 0.00 0.12 0.00 0.00 56.93 56.61 3hql s PHE 104 Cb -0.07 -1.44 -0.02 0.00 -0.57 0.00 0.00 43.02 40.92 3hql s PHE 104 CO -0.03 0.18 0.29 -1.54 -0.10 0.00 0.00 175.22 174.02 3hql s SER 105 N -1.27 0.15 -0.12 1.36 1.04 0.04 -0.92 113.70 113.98 3hql s SER 105 Ca 0.13 -1.22 -0.01 0.00 0.48 0.00 0.00 55.95 55.32 3hql s SER 105 Cb -0.10 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 3hql s SER 105 CO 0.03 -0.99 -0.08 -0.63 0.98 0.00 0.00 173.24 172.55 3hql s ILE 106 N -4.02 3.57 -0.01 -1.02 1.01 -0.29 -0.72 121.20 119.73 3hql s ILE 106 Ca 0.32 -0.49 -0.19 0.00 0.00 0.00 0.00 60.65 60.29 3hql s ILE 106 Cb 0.03 -2.51 -0.06 0.00 0.01 0.00 0.00 42.46 39.94 3hql s ILE 106 CO 0.12 0.54 0.53 -0.76 0.00 0.00 0.00 174.94 175.36 3hql s LEU 107 N -0.04 4.43 0.00 2.97 1.43 -0.27 -0.44 118.68 126.77 3hql s LEU 107 Ca -0.00 1.08 -0.04 0.00 -1.03 0.00 0.00 54.13 54.14 3hql s LEU 107 Cb -0.14 -2.80 0.08 0.00 0.03 0.00 0.00 46.19 43.37 3hql s LEU 107 CO 0.03 0.17 0.52 -0.46 0.23 0.00 0.00 176.35 176.85 3hql n ASN 108 N 2.46 0.35 0.29 2.29 0.23 -0.30 -4.58 115.26 116.00 3hql n ASN 108 Ca -0.09 -1.38 0.20 0.00 -0.53 0.00 0.00 54.58 52.78 3hql n ASN 108 Cb 0.51 -0.37 1.01 0.00 -2.08 0.00 0.00 39.78 38.85 3hql n ASN 108 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hql h ALA 109 N -1.17 1.00 -0.04 -2.53 0.00 -1.91 -0.48 119.26 114.13 3hql h ALA 109 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hql h ALA 109 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3hql h ALA 109 CO 0.15 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.76 3hql n LYS 110 N -2.92 2.02 -0.95 0.00 -0.00 -1.26 -4.94 118.16 110.11 3hql n LYS 110 Ca -0.02 -1.48 0.00 0.00 -0.00 0.00 0.00 58.31 56.81 3hql n LYS 110 Cb 0.11 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 33.67 3hql n LYS 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hql n GLY 111 N 1.27 0.70 3.75 2.58 0.00 -0.19 -5.03 105.19 108.28 3hql n GLY 111 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3hql n GLY 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hql s GLU 112 N -0.05 4.79 0.17 1.61 1.03 -1.26 -4.74 118.70 120.25 3hql s GLU 112 Ca 0.00 1.53 -0.30 0.00 0.03 0.00 0.00 54.97 56.23 3hql s GLU 112 Cb 0.00 -3.21 -0.07 0.00 -0.80 0.00 0.00 34.13 30.05 3hql s GLU 112 CO 0.00 0.43 1.04 -1.21 -1.33 0.00 0.00 175.26 174.19 3hql s GLU 113 N -1.32 4.67 0.07 -4.83 2.02 -1.26 -1.15 118.70 116.89 3hql s GLU 113 Ca 0.43 1.61 -0.01 0.00 0.02 0.00 0.00 54.97 57.02 3hql s GLU 113 Cb -0.26 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 3hql s GLU 113 CO 0.33 0.19 -0.01 -0.08 0.02 0.00 0.00 175.26 175.70 3hql s THR 114 N -0.36 0.20 -1.40 3.63 -1.32 0.42 -4.94 115.64 111.87 3hql s THR 114 Ca 0.47 -1.83 -0.08 0.00 -1.21 0.00 0.00 61.69 59.04 3hql s THR 114 Cb -0.27 -1.63 0.04 0.00 -1.51 0.00 0.00 72.50 69.12 3hql s THR 114 CO 0.33 -0.89 1.00 0.29 -2.21 0.00 0.00 174.62 173.15 3hql n LYS 115 N 0.07 -6.31 -2.82 7.08 4.76 -1.26 -1.14 118.16 118.54 3hql n LYS 115 Ca -0.12 0.70 -0.36 0.00 -2.87 0.00 0.00 58.31 55.66 3hql n LYS 115 Cb 0.62 -5.60 -0.07 0.00 -1.84 0.00 0.00 35.03 28.14 3hql n LYS 115 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hql s ALA 116 N -3.38 3.18 -0.00 7.82 0.00 -1.26 -4.49 121.76 123.63 3hql s ALA 116 Ca 0.45 0.46 0.05 0.00 0.00 0.00 0.00 51.96 52.92 3hql s ALA 116 Cb -0.21 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 3hql s ALA 116 CO 0.79 0.18 -0.17 -1.64 0.00 0.00 0.00 175.76 174.92 3hql s MET 117 N -2.35 1.32 0.06 0.00 -1.94 -0.10 -4.99 119.30 111.30 3hql s MET 117 Ca 0.53 -0.65 0.05 0.00 -1.71 0.00 0.00 55.69 53.91 3hql s MET 117 Cb -0.16 -1.29 -0.03 0.00 2.01 0.00 0.00 34.83 35.36 3hql s MET 117 CO 0.21 0.35 -0.14 -1.21 -0.01 0.00 0.00 175.02 174.22 3hql s GLU 118 N -0.54 0.82 0.33 2.03 2.02 -1.26 -1.01 118.70 121.09 3hql s GLU 118 Ca 0.06 -0.89 -0.28 0.00 0.02 0.00 0.00 54.97 53.88 3hql s GLU 118 Cb -0.07 -0.82 -0.09 0.00 0.10 0.00 0.00 34.13 33.25 3hql s GLU 118 CO -0.00 0.19 1.14 -1.54 0.02 0.00 0.00 175.26 175.07 3hql s SER 119 N -1.59 6.96 0.01 -0.19 1.04 0.27 -4.92 113.70 115.29 3hql s SER 119 Ca -0.02 2.33 0.27 0.00 0.48 0.00 0.00 55.95 59.01 3hql s SER 119 Cb -0.09 -2.62 0.82 0.00 0.10 0.00 0.00 66.02 64.23 3hql s SER 119 CO 0.02 -0.36 1.64 0.00 0.98 0.00 0.00 173.24 175.52 3hql n GLN 120 N 0.73 0.02 -3.98 4.02 1.13 -1.26 -4.76 117.38 113.28 3hql n GLN 120 Ca 0.01 0.01 -0.11 0.00 -1.94 0.00 0.00 57.00 54.97 3hql n GLN 120 Cb 0.45 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 29.26 3hql n GLN 120 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3hql s ARG 121 N -3.01 1.88 0.33 -1.09 1.70 -1.26 -5.15 118.95 112.34 3hql s ARG 121 Ca 0.12 -1.49 -0.27 0.00 -0.47 0.00 0.00 55.73 53.62 3hql s ARG 121 Cb 0.18 0.50 -0.09 0.00 -0.57 0.00 0.00 34.95 34.97 3hql s ARG 121 CO 0.62 -0.81 1.06 0.00 -1.08 0.00 0.00 175.30 175.09 3hql s ALA 122 N -3.20 3.26 0.09 7.88 0.00 -1.26 -4.57 121.76 123.95 3hql s ALA 122 Ca 0.24 0.77 0.06 0.00 0.00 0.00 0.00 51.96 53.02 3hql s ALA 122 Cb -0.02 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 3hql s ALA 122 CO 0.14 -0.13 -0.05 0.71 0.00 0.00 0.00 175.76 176.43 3hql s TYR 123 N -1.40 2.86 -0.41 0.00 2.02 0.07 -4.83 117.35 115.67 3hql s TYR 123 Ca 0.50 -0.09 -0.24 0.00 -0.37 0.00 0.00 57.07 56.88 3hql s TYR 123 Cb -0.27 -1.49 0.02 0.00 -0.40 0.00 0.00 41.96 39.82 3hql s TYR 123 CO 0.34 0.45 0.81 0.50 -1.57 0.00 0.00 175.55 176.07 3hql s ARG 124 N -2.20 3.60 -0.08 -0.62 3.52 -1.26 -1.51 118.95 120.40 3hql s ARG 124 Ca 0.23 0.15 -0.06 0.00 -0.13 0.00 0.00 55.73 55.93 3hql s ARG 124 Cb -0.11 -3.87 -0.04 0.00 -1.56 0.00 0.00 34.95 29.37 3hql s ARG 124 CO 0.15 -1.00 0.16 -0.06 -0.81 0.00 0.00 175.30 173.74 3hql s PHE 125 N 3.27 3.58 0.35 5.12 0.40 0.35 -4.97 117.98 126.08 3hql s PHE 125 Ca 0.32 0.47 0.07 0.00 -0.60 0.00 0.00 56.93 57.19 3hql s PHE 125 Cb -0.12 -1.91 -0.07 0.00 0.51 0.00 0.00 43.02 41.43 3hql s PHE 125 CO 0.20 0.70 -0.02 0.14 0.70 0.00 0.00 175.22 176.95 3hql s VAL 126 N -1.14 1.79 -0.00 -0.44 -7.23 -1.26 -1.03 120.40 111.09 3hql s VAL 126 Ca 0.20 -2.07 -0.34 0.00 -1.81 0.00 0.00 61.98 57.95 3hql s VAL 126 Cb -0.12 -2.75 -0.13 0.00 0.56 0.00 0.00 36.38 33.94 3hql s VAL 126 CO 0.10 -0.11 1.77 1.67 -0.31 0.00 0.00 175.10 178.22 3hql n GLN 127 N -0.78 2.16 -0.44 4.82 7.27 -1.26 -1.40 117.38 127.75 3hql n GLN 127 Ca -0.04 0.79 0.00 0.00 0.07 0.00 0.00 57.00 57.81 3hql n GLN 127 Cb 0.65 -2.60 0.00 0.00 2.41 0.00 0.00 30.24 30.70 3hql n GLN 127 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hql n GLY 128 N 4.05 0.76 3.83 1.69 0.00 0.18 -5.02 105.19 110.67 3hql n GLY 128 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3hql n GLY 128 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hql s LYS 129 N -0.56 3.48 0.30 1.61 2.47 -0.49 -4.90 119.74 121.65 3hql s LYS 129 Ca 0.00 -0.18 0.10 0.00 -1.56 0.00 0.00 55.97 54.33 3hql s LYS 129 Cb 0.00 -3.16 -0.05 0.00 -1.46 0.00 0.00 37.83 33.16 3hql s LYS 129 CO 0.00 0.70 -0.09 0.16 0.16 0.00 0.00 175.35 176.28 3hql s ASP 130 N -0.80 3.99 -0.05 1.43 1.47 -1.26 -1.60 116.67 119.85 3hql s ASP 130 Ca 0.14 -0.94 -0.11 0.00 1.18 0.00 0.00 52.55 52.82 3hql s ASP 130 Cb -0.12 -0.50 0.02 0.00 -0.34 0.00 0.00 42.92 41.98 3hql s ASP 130 CO 0.03 -0.05 0.27 0.26 0.68 0.00 0.00 175.17 176.35 3hql s TRP 131 N -2.47 -0.19 -2.06 2.11 0.52 -0.73 -4.98 118.94 111.14 3hql s TRP 131 Ca 0.32 0.39 0.00 0.00 0.02 0.00 0.00 56.10 56.82 3hql s TRP 131 Cb -0.04 0.07 0.00 0.00 -1.15 0.00 0.00 33.47 32.36 3hql s TRP 131 CO 0.17 -0.27 0.00 0.41 0.02 0.00 0.00 176.95 177.28 3hql n GLY 132 N 1.97 -0.67 2.99 0.98 0.00 -1.26 -0.62 105.19 108.57 3hql n GLY 132 Ca -0.18 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 3hql n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hql s PHE 133 N -3.93 2.41 0.35 1.61 0.08 0.34 -4.98 117.98 113.86 3hql s PHE 133 Ca 0.00 -1.60 0.08 0.00 0.12 0.00 0.00 56.93 55.53 3hql s PHE 133 Cb 0.00 -1.63 0.65 0.00 -0.57 0.00 0.00 43.02 41.47 3hql s PHE 133 CO 0.00 -0.74 1.84 -0.22 -0.10 0.00 0.00 175.22 175.99 3hql h LYS 134 N 7.97 0.27 -2.23 0.44 3.64 -1.89 -0.89 116.57 123.88 3hql h LYS 134 Ca -0.26 -0.08 -0.59 0.00 -1.27 0.00 0.00 60.65 58.45 3hql h LYS 134 Cb 1.09 -0.03 -0.42 0.00 -0.41 0.00 0.00 32.23 32.47 3hql h LYS 134 CO 0.47 0.48 -0.65 1.63 -2.27 0.00 0.00 179.45 179.10 3hql n LYS 135 N -4.19 2.80 -0.06 1.90 5.02 -1.26 -3.82 118.16 118.55 3hql n LYS 135 Ca -0.01 -4.69 -0.13 0.00 -2.02 0.00 0.00 58.31 51.46 3hql n LYS 135 Cb 0.34 -2.20 -0.07 0.00 -0.02 0.00 0.00 35.03 33.08 3hql n LYS 135 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3hql h PHE 136 N 3.51 0.50 -2.31 2.13 3.57 -1.25 -3.46 116.94 119.63 3hql h PHE 136 Ca 0.16 -0.16 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 3hql h PHE 136 Cb 0.59 -0.10 -0.22 0.00 2.79 0.00 0.00 35.95 39.02 3hql h PHE 136 CO 0.76 0.81 -0.01 -1.50 -2.23 0.00 0.00 178.31 176.15 3hql s ILE 137 N -4.23 0.00 0.07 1.41 1.10 -1.22 -5.00 121.20 113.33 3hql s ILE 137 Ca -0.14 -0.03 -0.31 0.00 -0.51 0.00 0.00 60.65 59.66 3hql s ILE 137 Cb 0.06 -0.84 -0.07 0.00 0.15 0.00 0.00 42.46 41.76 3hql s ILE 137 CO 0.77 -0.02 1.44 -0.60 -2.11 0.00 0.00 174.94 174.42 3hql s ARG 138 N -0.01 4.28 0.27 3.50 3.52 -1.26 -1.33 118.95 127.92 3hql s ARG 138 Ca -0.02 2.08 -0.01 0.00 -0.13 0.00 0.00 55.73 57.65 3hql s ARG 138 Cb -0.04 -3.42 0.47 0.00 -1.56 0.00 0.00 34.95 30.40 3hql s ARG 138 CO 0.02 -0.54 1.87 0.00 -0.81 0.00 0.00 175.30 175.84 3hql h ARG 139 N 7.43 1.08 0.00 5.12 3.08 -1.38 -1.78 114.38 127.92 3hql h ARG 139 Ca -0.41 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3hql h ARG 139 Cb 1.20 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3hql h ARG 139 CO 0.89 0.71 0.00 0.78 -1.07 0.00 0.00 179.97 181.28 3hql h GLY 140 N 1.11 0.00 0.00 0.04 0.00 -1.92 -1.05 103.07 101.25 3hql h GLY 140 Ca 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.68 3hql h GLY 140 CO -0.21 0.00 -0.62 -2.75 0.00 0.00 0.00 176.54 172.96 3hql h PHE 141 N 0.00 0.00 -0.74 5.60 3.57 -1.83 -3.37 116.94 120.17 3hql h PHE 141 Ca 0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 3hql h PHE 141 Cb 0.38 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 3hql h PHE 141 CO 0.00 1.09 0.24 1.25 -2.23 0.00 0.00 178.31 178.66 3hql h LEU 142 N -1.00 1.07 0.00 0.59 5.85 -1.08 -2.85 115.31 117.90 3hql h LEU 142 Ca -0.16 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3hql h LEU 142 Cb 1.04 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3hql h LEU 142 CO -0.10 0.99 0.00 0.18 -0.34 0.00 0.00 178.44 179.17 3hql n LEU 143 N -4.27 0.00 -4.53 2.25 4.77 -0.42 -4.56 117.00 110.23 3hql n LEU 143 Ca 0.06 0.36 -0.43 0.00 -0.03 0.00 0.00 56.01 55.97 3hql n LEU 143 Cb 0.22 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 3hql n LEU 143 CO 0.41 -0.00 0.77 -0.62 -1.33 0.00 0.00 177.39 176.62 3hql s ASP 144 N -2.71 6.38 0.57 -1.43 -1.08 -1.08 -4.91 116.67 112.41 3hql s ASP 144 Ca 0.23 -0.22 0.31 0.00 -0.52 0.00 0.00 52.55 52.36 3hql s ASP 144 Cb 0.20 -2.45 1.74 0.00 -1.46 0.00 0.00 42.92 40.95 3hql s ASP 144 CO 0.48 -1.21 2.18 -0.33 0.52 0.00 0.00 175.17 176.81 3hql h GLU 145 N 9.28 0.00 -0.08 4.34 4.39 -1.87 -1.69 114.58 128.95 3hql h GLU 145 Ca -0.26 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.47 3hql h GLU 145 Cb 1.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3hql h GLU 145 CO 1.08 0.05 0.09 0.00 -1.16 0.00 0.00 179.01 179.07 3hql h ALA 146 N 1.95 1.69 0.00 3.43 0.00 -1.95 -0.64 119.26 123.75 3hql h ALA 146 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hql h ALA 146 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hql h ALA 146 CO 0.01 -0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.22 3hql n ASN 147 N -3.90 0.00 -0.67 0.00 3.02 -0.63 -4.92 115.26 108.15 3hql n ASN 147 Ca -0.01 0.44 -0.07 0.00 -0.03 0.00 0.00 54.58 54.91 3hql n ASN 147 Cb 0.19 -0.48 -0.02 0.00 -0.61 0.00 0.00 39.78 38.86 3hql n ASN 147 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hql n GLY 148 N 0.44 0.48 0.64 7.41 0.00 -0.25 -4.92 105.19 108.99 3hql n GLY 148 Ca 0.05 -0.66 0.07 0.00 0.00 0.00 0.00 46.02 45.48 3hql n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hql n LEU 149 N -0.90 2.40 -2.91 0.99 4.77 -1.26 -4.24 117.00 115.84 3hql n LEU 149 Ca -0.08 -1.17 -0.23 0.00 -0.03 0.00 0.00 56.01 54.50 3hql n LEU 149 Cb 0.40 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3hql n LEU 149 CO 0.10 0.47 0.03 0.18 -1.33 0.00 0.00 177.39 176.85 3hql n LEU 150 N 0.84 3.32 -4.72 2.23 4.77 -1.26 -4.59 117.00 117.59 3hql n LEU 150 Ca 0.10 -5.28 -0.42 0.00 -0.03 0.00 0.00 56.01 50.38 3hql n LEU 150 Cb 0.39 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 3hql n LEU 150 CO 0.09 2.26 1.20 -2.16 -1.33 0.00 0.00 177.39 177.46 3hql s PRO 151 N -3.18 4.23 -1.40 3.23 0.04 -1.24 -0.82 135.00 135.86 3hql s PRO 151 Ca 0.45 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.81 3hql s PRO 151 Cb 0.33 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.71 3hql s PRO 151 CO -0.12 -0.58 0.00 -0.40 0.04 0.00 0.00 177.00 175.94 3hql n ASP 152 N 3.92 -4.81 -1.50 6.66 5.68 -1.26 -2.04 116.55 123.19 3hql n ASP 152 Ca 0.13 0.11 -0.15 0.00 -0.50 0.00 0.00 54.79 54.38 3hql n ASP 152 Cb 0.39 -4.05 -0.03 0.00 -1.14 0.00 0.00 41.12 36.29 3hql n ASP 152 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3hql n ASP 153 N -1.88 -4.62 -4.52 -1.12 2.03 -0.00 -4.72 116.55 101.73 3hql n ASP 153 Ca -0.19 0.12 -0.34 0.00 0.52 0.00 0.00 54.79 54.91 3hql n ASP 153 Cb 0.64 -3.64 -0.12 0.00 -0.72 0.00 0.00 41.12 37.28 3hql n ASP 153 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3hql s LYS 154 N -4.21 3.26 -0.25 -0.67 1.02 -0.87 -0.83 119.74 117.20 3hql s LYS 154 Ca 0.00 -0.55 -0.10 0.00 0.02 0.00 0.00 55.97 55.34 3hql s LYS 154 Cb 0.00 -2.75 -0.05 0.00 -0.52 0.00 0.00 37.83 34.51 3hql s LYS 154 CO 0.00 0.41 0.16 -1.17 -0.92 0.00 0.00 175.35 173.83 3hql s LEU 155 N -0.13 4.04 -0.25 3.17 2.96 -0.38 -3.63 118.68 124.46 3hql s LEU 155 Ca 0.02 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 53.97 3hql s LEU 155 Cb -0.13 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.49 3hql s LEU 155 CO 0.03 0.04 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.16 3hql s THR 156 N 1.21 2.98 0.05 3.68 2.01 -1.26 -0.10 115.64 124.21 3hql s THR 156 Ca 0.07 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.08 3hql s THR 156 Cb -0.14 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 3hql s THR 156 CO 0.06 0.18 0.16 -0.76 -0.69 0.00 0.00 174.62 173.57 3hql s LEU 157 N 1.34 4.16 -0.06 4.42 1.43 0.23 -1.11 118.68 129.09 3hql s LEU 157 Ca 0.00 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 3hql s LEU 157 Cb -0.17 -2.73 0.02 0.00 0.03 0.00 0.00 46.19 43.34 3hql s LEU 157 CO -0.04 0.19 -0.08 0.12 0.23 0.00 0.00 176.35 176.77 3hql s PHE 158 N -1.43 1.10 -0.06 0.29 5.36 0.10 -0.81 117.98 122.52 3hql s PHE 158 Ca 0.32 -0.38 0.05 0.00 -0.96 0.00 0.00 56.93 55.96 3hql s PHE 158 Cb -0.13 -0.87 -0.01 0.00 -0.34 0.00 0.00 43.02 41.68 3hql s PHE 158 CO 0.24 -0.24 -0.21 0.00 -1.46 0.00 0.00 175.22 173.55 3hql s GLU 160 N 0.01 2.44 -0.02 0.00 2.02 -0.30 -1.05 118.70 121.80 3hql s GLU 160 Ca -0.06 -0.76 0.04 0.00 0.02 0.00 0.00 54.97 54.21 3hql s GLU 160 Cb -0.13 -1.97 -0.01 0.00 0.10 0.00 0.00 34.13 32.12 3hql s GLU 160 CO 0.04 0.23 -0.15 0.08 0.02 0.00 0.00 175.26 175.47 3hql s VAL 161 N 0.17 1.26 -0.10 2.63 1.01 0.45 -1.05 120.40 124.77 3hql s VAL 161 Ca -0.11 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.23 3hql s VAL 161 Cb -0.15 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.18 3hql s VAL 161 CO 0.05 0.36 -0.12 -0.94 0.00 0.00 0.00 175.10 174.46 3hql s SER 162 N -0.16 2.19 -0.23 3.32 1.04 -0.16 -1.27 113.70 118.42 3hql s SER 162 Ca 0.02 -0.35 -0.06 0.00 0.48 0.00 0.00 55.95 56.03 3hql s SER 162 Cb -0.08 -0.94 -0.02 0.00 0.10 0.00 0.00 66.02 65.08 3hql s SER 162 CO 0.00 -0.03 0.03 -0.69 0.98 0.00 0.00 173.24 173.53 3hql s VAL 163 N 1.20 4.00 -0.40 5.02 1.01 0.66 -1.20 120.40 130.68 3hql s VAL 163 Ca -0.03 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3hql s VAL 163 Cb -0.14 -2.85 0.03 0.00 0.00 0.00 0.00 36.38 33.42 3hql s VAL 163 CO -0.03 0.38 0.60 1.33 0.00 0.00 0.00 175.10 177.38