#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hq4 s ILE 2 N 0.00 4.08 -0.25 5.18 1.01 -1.26 -4.99 121.20 124.97 1hq4 s ILE 2 Ca 0.00 1.49 -0.22 0.00 0.00 0.00 0.00 60.65 61.92 1hq4 s ILE 2 Cb 0.00 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1hq4 s ILE 2 CO 0.00 0.10 0.69 -0.69 0.00 0.00 0.00 174.94 175.04 1hq4 s VAL 3 N 1.22 4.94 -0.40 2.92 1.01 -1.26 -4.73 120.40 124.10 1hq4 s VAL 3 Ca 0.58 1.26 -0.17 0.00 0.00 0.00 0.00 61.98 63.65 1hq4 s VAL 3 Cb -0.29 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.12 1hq4 s VAL 3 CO 0.28 0.00 0.44 -0.76 0.00 0.00 0.00 175.10 175.07 1hq4 s LEU 4 N 2.56 4.72 -0.26 3.92 1.43 -1.26 -1.77 118.68 128.02 1hq4 s LEU 4 Ca 0.29 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 1hq4 s LEU 4 Cb -0.15 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 1hq4 s LEU 4 CO 0.08 -0.54 0.30 -0.89 0.23 0.00 0.00 176.35 175.54 1hq4 s THR 5 N 2.17 5.24 0.08 5.49 2.01 0.16 -3.94 115.64 126.85 1hq4 s THR 5 Ca 0.13 0.44 0.06 0.00 0.31 0.00 0.00 61.69 62.63 1hq4 s THR 5 Cb -0.17 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1hq4 s THR 5 CO 0.13 0.22 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.12 1hq4 s GLN 6 N 1.72 2.33 -0.18 4.92 -0.21 -1.26 0.32 119.66 127.30 1hq4 s GLN 6 Ca 0.13 -0.92 -0.28 0.00 0.02 0.00 0.00 55.36 54.31 1hq4 s GLN 6 Cb -0.15 -2.41 0.10 0.00 1.00 0.00 0.00 33.01 31.55 1hq4 s GLN 6 CO 0.09 0.53 0.85 -1.54 -2.12 0.00 0.00 175.29 173.10 1hq4 s SER 7 N -2.10 -0.55 0.97 5.90 1.04 -0.98 -4.54 113.70 113.44 1hq4 s SER 7 Ca 0.22 0.82 -0.12 0.00 0.48 0.00 0.00 55.95 57.34 1hq4 s SER 7 Cb -0.11 0.74 0.17 0.00 0.10 0.00 0.00 66.02 66.92 1hq4 s SER 7 CO 0.14 -0.36 1.10 -2.16 0.98 0.00 0.00 173.24 172.93 1hq4 s PRO 8 N -0.54 0.62 0.03 4.02 0.04 -1.26 -1.30 135.00 136.62 1hq4 s PRO 8 Ca -0.03 0.54 0.02 0.00 0.04 0.00 0.00 61.00 61.57 1hq4 s PRO 8 Cb -0.02 -1.76 -0.25 0.00 0.04 0.00 0.00 34.50 32.51 1hq4 s PRO 8 CO 0.02 -2.60 0.96 1.15 0.04 0.00 0.00 177.00 176.57 1hq4 h THR 9 N -1.80 1.28 -2.78 1.26 2.02 -1.82 -3.40 112.91 107.67 1hq4 h THR 9 Ca -0.53 -2.98 -0.10 0.00 0.77 0.00 0.00 66.41 63.57 1hq4 h THR 9 Cb 1.32 2.74 -0.20 0.00 -1.74 0.00 0.00 68.15 70.27 1hq4 h THR 9 CO 0.58 0.81 -0.17 -0.51 0.37 0.00 0.00 175.52 176.60 1hq4 s ILE 10 N -2.64 0.04 -0.23 3.11 -1.16 -1.26 -1.74 121.20 117.31 1hq4 s ILE 10 Ca -0.05 -0.33 -0.27 0.00 -0.51 0.00 0.00 60.65 59.49 1hq4 s ILE 10 Cb 0.08 -0.70 0.13 0.00 0.61 0.00 0.00 42.46 42.58 1hq4 s ILE 10 CO 0.84 -0.18 1.03 -0.32 -2.81 0.00 0.00 174.94 173.50 1hq4 s MET 11 N -1.16 0.52 -0.14 3.50 -2.45 -1.10 -4.95 119.30 113.52 1hq4 s MET 11 Ca -0.12 0.39 -0.07 0.00 -1.25 0.00 0.00 55.69 54.64 1hq4 s MET 11 Cb -0.04 0.25 -0.04 0.00 1.25 0.00 0.00 34.83 36.25 1hq4 s MET 11 CO 0.05 -0.11 0.11 -1.12 1.05 0.00 0.00 175.02 175.00 1hq4 s SER 12 N -0.33 6.11 -0.02 1.11 0.01 -1.26 -1.12 113.70 118.20 1hq4 s SER 12 Ca 0.01 0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.63 1hq4 s SER 12 Cb -0.03 -1.98 -0.00 0.00 0.21 0.00 0.00 66.02 64.21 1hq4 s SER 12 CO -0.03 0.33 -0.09 -0.69 0.41 0.00 0.00 173.24 173.17 1hq4 s VAL 13 N -0.57 0.77 0.23 3.43 1.01 -0.32 -4.89 120.40 120.06 1hq4 s VAL 13 Ca 0.12 -0.38 -0.22 0.00 0.00 0.00 0.00 61.98 61.50 1hq4 s VAL 13 Cb -0.12 -0.67 -0.09 0.00 0.00 0.00 0.00 36.38 35.51 1hq4 s VAL 13 CO 0.02 0.23 0.78 -0.44 0.00 0.00 0.00 175.10 175.69 1hq4 s SER 14 N 0.03 7.18 0.68 3.32 0.01 -1.26 -1.48 113.70 122.17 1hq4 s SER 14 Ca -0.00 1.55 -0.17 0.00 1.31 0.00 0.00 55.95 58.64 1hq4 s SER 14 Cb -0.07 -2.47 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 1hq4 s SER 14 CO 0.00 0.04 0.55 -2.65 0.41 0.00 0.00 173.24 171.59 1hq4 n PRO 15 N 0.84 0.38 0.00 12.44 -0.02 -1.26 -1.86 135.00 145.52 1hq4 n PRO 15 Ca -0.02 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1hq4 n PRO 15 Cb 0.50 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1hq4 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hq4 n GLY 16 N 1.67 2.47 3.79 -1.23 0.00 -0.89 -4.83 105.19 106.18 1hq4 n GLY 16 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1hq4 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hq4 s GLU 17 N 0.00 2.21 -0.14 1.61 0.41 -0.78 -4.26 118.70 117.75 1hq4 s GLU 17 Ca 0.00 0.79 -0.08 0.00 -0.41 0.00 0.00 54.97 55.28 1hq4 s GLU 17 Cb 0.00 -1.92 -0.04 0.00 -1.78 0.00 0.00 34.13 30.39 1hq4 s GLU 17 CO 0.00 -1.57 0.13 0.21 -0.49 0.00 0.00 175.26 173.54 1hq4 s LYS 18 N -5.08 3.64 0.02 1.61 2.20 -1.18 0.31 119.74 121.26 1hq4 s LYS 18 Ca 0.60 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 56.05 1hq4 s LYS 18 Cb -0.15 -3.23 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1hq4 s LYS 18 CO 0.55 0.63 -0.05 0.54 -0.36 0.00 0.00 175.35 176.65 1hq4 s VAL 19 N -0.59 0.38 -0.23 4.02 0.11 -0.94 -5.00 120.40 118.14 1hq4 s VAL 19 Ca 0.13 -0.63 -0.01 0.00 -2.93 0.00 0.00 61.98 58.54 1hq4 s VAL 19 Cb -0.12 -0.40 0.07 0.00 -1.53 0.00 0.00 36.38 34.40 1hq4 s VAL 19 CO 0.02 -0.17 0.03 -0.89 -3.33 0.00 0.00 175.10 170.76 1hq4 s THR 20 N -0.78 0.85 0.49 5.04 2.01 -1.26 -0.24 115.64 121.76 1hq4 s THR 20 Ca -0.05 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 60.90 1hq4 s THR 20 Cb -0.06 -1.37 -0.07 0.00 0.01 0.00 0.00 72.50 71.02 1hq4 s THR 20 CO -0.00 -0.29 0.91 -0.76 -0.69 0.00 0.00 174.62 173.79 1hq4 s LEU 21 N 1.69 3.64 0.11 4.42 1.43 0.54 -4.82 118.68 125.69 1hq4 s LEU 21 Ca 0.00 1.37 0.05 0.00 -1.03 0.00 0.00 54.13 54.52 1hq4 s LEU 21 Cb -0.18 -4.30 -0.04 0.00 0.03 0.00 0.00 46.19 41.70 1hq4 s LEU 21 CO -0.11 -0.57 -0.13 -0.89 0.23 0.00 0.00 176.35 174.88 1hq4 s THR 22 N -2.63 1.22 -0.21 5.49 2.01 -0.42 -1.54 115.64 119.57 1hq4 s THR 22 Ca 0.55 -1.65 -0.04 0.00 0.31 0.00 0.00 61.69 60.86 1hq4 s THR 22 Cb -0.10 -1.44 0.10 0.00 0.01 0.00 0.00 72.50 71.06 1hq4 s THR 22 CO 0.35 -0.42 0.24 0.00 -0.69 0.00 0.00 174.62 174.10 1hq4 s SER 24 N 2.35 4.90 -0.07 0.00 0.01 0.15 -1.43 113.70 119.60 1hq4 s SER 24 Ca 0.07 -0.10 -0.05 0.00 1.31 0.00 0.00 55.95 57.19 1hq4 s SER 24 Cb -0.16 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.24 1hq4 s SER 24 CO -0.12 0.18 0.15 0.00 0.41 0.00 0.00 173.24 173.85 1hq4 s ALA 25 N 0.32 3.88 -2.00 1.44 0.00 -0.82 0.37 121.76 124.96 1hq4 s ALA 25 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1hq4 s ALA 25 Cb -0.14 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.09 1hq4 s ALA 25 CO 0.03 0.67 0.22 -1.13 0.00 0.00 0.00 175.76 175.55 1hq4 n SER 26 N 1.53 0.00 -4.83 0.00 3.41 -0.73 -4.89 113.62 108.11 1hq4 n SER 26 Ca -0.16 -0.39 -0.34 0.00 -0.26 0.00 0.00 58.87 57.72 1hq4 n SER 26 Cb 0.54 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 1hq4 n SER 26 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1hq4 s SER 27 N -1.81 6.92 0.04 4.04 1.04 -1.26 -4.99 113.70 117.68 1hq4 s SER 27 Ca 0.00 1.37 -0.02 0.00 0.48 0.00 0.00 55.95 57.78 1hq4 s SER 27 Cb 0.00 -2.40 -0.02 0.00 0.10 0.00 0.00 66.02 63.69 1hq4 s SER 27 CO 0.00 -0.10 0.01 0.68 0.98 0.00 0.00 173.24 174.81 1hq4 s VAL 28 N -1.78 0.16 0.04 5.02 -7.23 -0.99 -5.01 120.40 110.61 1hq4 s VAL 28 Ca 0.49 -1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 59.05 1hq4 s VAL 28 Cb -0.13 -0.95 -0.07 0.00 0.56 0.00 0.00 36.38 35.79 1hq4 s VAL 28 CO 0.19 -0.72 1.59 -0.55 -0.31 0.00 0.00 175.10 175.30 1hq4 s SER 29 N -2.24 6.68 0.64 4.85 0.15 -1.26 -4.40 113.70 118.11 1hq4 s SER 29 Ca -0.04 2.36 0.32 0.00 0.70 0.00 0.00 55.95 59.29 1hq4 s SER 29 Cb -0.00 -2.56 1.77 0.00 -1.71 0.00 0.00 66.02 63.52 1hq4 s SER 29 CO -0.06 -0.85 1.99 0.77 1.20 0.00 0.00 173.24 176.30 1hq4 h SER 30 N 8.35 0.00 1.46 5.45 4.64 -1.92 0.91 113.55 132.44 1hq4 h SER 30 Ca -0.41 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.87 1hq4 h SER 30 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1hq4 h SER 30 CO 0.93 0.00 -0.19 0.78 -0.87 0.00 0.00 176.83 177.48 1hq4 h ASN 31 N 0.00 0.00 -1.02 4.97 2.35 -1.89 -2.79 115.58 117.21 1hq4 h ASN 31 Ca 0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 1hq4 h ASN 31 Cb 0.49 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 38.49 1hq4 h ASN 31 CO 0.00 0.19 -0.02 -1.22 -1.65 0.00 0.00 177.43 174.72 1hq4 n TYR 32 N -3.20 3.02 -3.89 1.19 4.01 0.31 -3.92 117.16 114.69 1hq4 n TYR 32 Ca 0.02 -2.62 -0.30 0.00 -0.16 0.00 0.00 57.90 54.84 1hq4 n TYR 32 Cb 0.53 -0.80 -0.15 0.00 -0.31 0.00 0.00 39.34 38.60 1hq4 n TYR 32 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1hq4 s VAL 33 N -4.81 1.47 0.39 -0.72 1.01 -1.25 -1.39 120.40 115.10 1hq4 s VAL 33 Ca 0.56 -1.54 0.08 0.00 0.00 0.00 0.00 61.98 61.07 1hq4 s VAL 33 Cb 0.45 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1hq4 s VAL 33 CO -0.04 -0.42 0.45 -0.31 0.00 0.00 0.00 175.10 174.78 1hq4 s TYR 34 N 1.36 2.86 -0.04 5.22 1.51 -0.29 -0.61 117.35 127.36 1hq4 s TYR 34 Ca 0.04 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1hq4 s TYR 34 Cb -0.18 -2.14 0.02 0.00 -0.11 0.00 0.00 41.96 39.54 1hq4 s TYR 34 CO -0.13 -0.15 -0.05 -1.58 -1.11 0.00 0.00 175.55 172.54 1hq4 s TRP 35 N -2.34 0.71 0.09 2.71 0.52 0.16 -0.93 118.94 119.85 1hq4 s TRP 35 Ca 0.49 -0.18 0.10 0.00 0.02 0.00 0.00 56.10 56.52 1hq4 s TRP 35 Cb -0.07 -0.62 -0.03 0.00 -1.15 0.00 0.00 33.47 31.60 1hq4 s TRP 35 CO 0.30 -0.16 -0.25 0.71 0.02 0.00 0.00 176.95 177.56 1hq4 s TYR 36 N 0.78 2.35 -0.10 -1.98 1.51 0.64 0.87 117.35 121.43 1hq4 s TYR 36 Ca -0.10 -0.37 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 1hq4 s TYR 36 Cb -0.13 -1.33 -0.01 0.00 -0.11 0.00 0.00 41.96 40.37 1hq4 s TYR 36 CO 0.00 0.25 -0.19 -1.14 -1.11 0.00 0.00 175.55 173.36 1hq4 s GLN 37 N -1.68 3.04 -0.10 -0.62 0.74 -0.76 -1.39 119.66 118.89 1hq4 s GLN 37 Ca 0.13 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 54.75 1hq4 s GLN 37 Cb -0.10 -2.41 0.02 0.00 1.10 0.00 0.00 33.01 31.62 1hq4 s GLN 37 CO 0.05 0.27 -0.08 -1.14 -0.55 0.00 0.00 175.29 173.84 1hq4 s GLN 38 N 0.15 1.51 0.12 1.67 0.74 -0.24 -1.83 119.66 121.78 1hq4 s GLN 38 Ca -0.10 -0.27 -0.05 0.00 0.05 0.00 0.00 55.36 54.98 1hq4 s GLN 38 Cb -0.16 -1.50 -0.05 0.00 1.10 0.00 0.00 33.01 32.39 1hq4 s GLN 38 CO 0.06 -0.20 0.37 0.21 -0.55 0.00 0.00 175.29 175.17 1hq4 s LYS 39 N 1.48 3.63 0.19 1.67 2.47 -1.26 -1.38 119.74 126.54 1hq4 s LYS 39 Ca 0.00 -0.06 -0.32 0.00 -1.56 0.00 0.00 55.97 54.03 1hq4 s LYS 39 Cb -0.13 -2.89 -0.15 0.00 -1.46 0.00 0.00 37.83 33.20 1hq4 s LYS 39 CO -0.05 0.49 1.24 -2.30 0.16 0.00 0.00 175.35 174.89 1hq4 n PRO 40 N 0.26 1.45 -1.59 4.03 -0.02 -1.26 -1.87 135.00 136.00 1hq4 n PRO 40 Ca -0.04 0.52 -0.14 0.00 -2.02 0.00 0.00 63.50 61.82 1hq4 n PRO 40 Cb 0.52 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.88 1hq4 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hq4 n GLY 41 N 2.07 1.12 3.09 -1.23 0.00 -1.26 -4.99 105.19 103.98 1hq4 n GLY 41 Ca 0.14 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 1hq4 n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hq4 s SER 42 N -2.75 0.65 0.58 1.61 0.01 -0.78 -5.16 113.70 107.86 1hq4 s SER 42 Ca 0.00 -0.90 -0.07 0.00 1.31 0.00 0.00 55.95 56.28 1hq4 s SER 42 Cb 0.00 0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.36 1hq4 s SER 42 CO 0.00 -0.50 0.92 -0.94 0.41 0.00 0.00 173.24 173.13 1hq4 s SER 43 N -2.66 5.92 0.69 2.44 1.04 -1.26 -4.52 113.70 115.35 1hq4 s SER 43 Ca 0.04 0.98 -0.16 0.00 0.48 0.00 0.00 55.95 57.29 1hq4 s SER 43 Cb 0.04 -2.07 0.02 0.00 0.10 0.00 0.00 66.02 64.10 1hq4 s SER 43 CO -0.07 -0.90 1.24 -2.84 0.98 0.00 0.00 173.24 171.64 1hq4 s PRO 44 N -5.00 2.35 0.00 4.02 0.02 -1.26 -4.65 135.00 130.49 1hq4 s PRO 44 Ca 0.53 1.87 0.02 0.00 0.02 0.00 0.00 61.00 63.43 1hq4 s PRO 44 Cb -0.11 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.56 1hq4 s PRO 44 CO 0.48 -1.70 -0.07 0.21 -0.33 0.00 0.00 177.00 175.59 1hq4 s LYS 45 N -3.67 0.52 0.13 5.54 2.20 -0.76 -4.96 119.74 118.74 1hq4 s LYS 45 Ca 0.77 -0.33 -0.31 0.00 -0.36 0.00 0.00 55.97 55.74 1hq4 s LYS 45 Cb -0.32 -0.47 -0.10 0.00 -1.51 0.00 0.00 37.83 35.43 1hq4 s LYS 45 CO 0.42 0.12 1.61 0.54 -0.36 0.00 0.00 175.35 177.69 1hq4 s VAL 46 N -0.38 2.73 -0.12 4.02 0.11 -1.26 -1.83 120.40 123.68 1hq4 s VAL 46 Ca 0.00 0.42 -0.00 0.00 -2.93 0.00 0.00 61.98 59.47 1hq4 s VAL 46 Cb -0.04 -3.27 -0.07 0.00 -1.53 0.00 0.00 36.38 31.47 1hq4 s VAL 46 CO -0.00 0.02 -0.11 1.87 -3.33 0.00 0.00 175.10 173.55 1hq4 n TRP 47 N 4.59 0.00 -3.72 1.54 -0.00 0.25 -4.77 117.44 115.33 1hq4 n TRP 47 Ca 0.15 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.51 1hq4 n TRP 47 Cb 0.39 -0.44 -0.14 0.00 -0.00 0.00 0.00 31.31 31.12 1hq4 n TRP 47 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1hq4 s ILE 48 N -2.23 -0.12 0.08 5.87 1.01 -0.58 -2.17 121.20 123.07 1hq4 s ILE 48 Ca -0.16 0.21 0.06 0.00 0.00 0.00 0.00 60.65 60.76 1hq4 s ILE 48 Cb 0.04 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 42.15 1hq4 s ILE 48 CO 0.26 0.09 -0.10 -0.72 0.00 0.00 0.00 174.94 174.46 1hq4 s TYR 49 N 1.53 2.74 -1.13 3.97 -0.85 -0.45 0.39 117.35 123.56 1hq4 s TYR 49 Ca -0.06 -0.15 -0.13 0.00 -0.52 0.00 0.00 57.07 56.21 1hq4 s TYR 49 Cb -0.11 -1.46 -0.03 0.00 0.38 0.00 0.00 41.96 40.74 1hq4 s TYR 49 CO -0.07 0.40 0.83 0.43 -1.52 0.00 0.00 175.55 175.62 1hq4 n SER 50 N 0.92 -5.25 0.00 -0.18 7.64 -1.11 -1.41 113.62 114.22 1hq4 n SER 50 Ca -0.14 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 58.86 1hq4 n SER 50 Cb 0.52 -4.12 0.00 0.00 -1.01 0.00 0.00 64.21 59.60 1hq4 n SER 50 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1hq4 n THR 51 N -3.86 0.00 -1.99 0.44 -1.04 0.23 -3.97 114.28 104.09 1hq4 n THR 51 Ca -0.11 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.94 1hq4 n THR 51 Cb 0.61 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.18 1hq4 n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1hq4 n SER 52 N 0.07 0.93 -4.35 8.00 3.41 -1.23 -2.91 113.62 117.54 1hq4 n SER 52 Ca 0.00 -2.42 -0.36 0.00 -0.26 0.00 0.00 58.87 55.83 1hq4 n SER 52 Cb 0.00 -0.31 -0.14 0.00 -0.26 0.00 0.00 64.21 63.50 1hq4 n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1hq4 s ASN 53 N -1.93 4.58 0.34 4.04 0.01 -0.50 -4.62 114.94 116.86 1hq4 s ASN 53 Ca 0.22 -0.35 -0.29 0.00 -0.71 0.00 0.00 52.86 51.74 1hq4 s ASN 53 Cb 0.23 -1.80 -0.11 0.00 0.41 0.00 0.00 41.25 39.98 1hq4 s ASN 53 CO -0.07 -0.03 1.38 -0.76 -1.51 0.00 0.00 177.10 176.11 1hq4 s LEU 54 N 1.52 4.39 0.00 0.60 1.43 -1.26 -1.34 118.68 124.02 1hq4 s LEU 54 Ca 0.06 2.81 -0.09 0.00 -1.03 0.00 0.00 54.13 55.89 1hq4 s LEU 54 Cb -0.15 -3.65 0.15 0.00 0.03 0.00 0.00 46.19 42.57 1hq4 s LEU 54 CO -0.01 -0.66 0.96 0.00 0.23 0.00 0.00 176.35 176.86 1hq4 n ALA 55 N 0.78 -0.73 -2.26 4.21 0.00 -0.92 -4.86 120.51 116.73 1hq4 n ALA 55 Ca 0.01 -1.42 -0.42 0.00 0.00 0.00 0.00 53.44 51.60 1hq4 n ALA 55 Cb 0.41 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 1hq4 n ALA 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1hq4 s SER 56 N -4.61 6.90 0.00 0.00 0.15 -1.26 -2.99 113.70 111.90 1hq4 s SER 56 Ca 0.57 2.13 0.00 0.00 0.70 0.00 0.00 55.95 59.34 1hq4 s SER 56 Cb -0.02 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1hq4 s SER 56 CO 0.39 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1hq4 n GLY 57 N 3.51 2.15 3.70 9.45 0.00 -1.26 -5.03 105.19 117.71 1hq4 n GLY 57 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1hq4 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hq4 s VAL 58 N -2.32 3.74 0.50 1.61 1.01 -1.16 -4.99 120.40 118.79 1hq4 s VAL 58 Ca 0.00 1.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.93 1hq4 s VAL 58 Cb 0.00 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 1hq4 s VAL 58 CO 0.00 0.04 1.40 -2.84 0.00 0.00 0.00 175.10 173.71 1hq4 s PRO 59 N 1.75 3.40 0.65 2.72 0.02 -1.26 -4.88 135.00 137.39 1hq4 s PRO 59 Ca 0.62 2.35 0.35 0.00 0.02 0.00 0.00 61.00 64.34 1hq4 s PRO 59 Cb -0.32 -2.46 1.91 0.00 0.02 0.00 0.00 34.50 33.65 1hq4 s PRO 59 CO 0.28 -1.03 2.12 0.00 -0.33 0.00 0.00 177.00 178.04 1hq4 h ALA 60 N 1.88 1.36 0.00 -1.55 0.00 -2.00 -2.27 119.26 116.67 1hq4 h ALA 60 Ca -0.51 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1hq4 h ALA 60 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1hq4 h ALA 60 CO 0.59 -0.22 -0.05 0.07 0.00 0.00 0.00 179.25 179.64 1hq4 h ARG 61 N 0.00 0.00 -7.11 0.00 0.11 -1.96 -3.44 114.38 101.98 1hq4 h ARG 61 Ca 0.03 0.00 -0.46 0.00 0.10 0.00 0.00 59.98 59.65 1hq4 h ARG 61 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 1hq4 h ARG 61 CO -0.00 0.05 0.34 -0.06 0.10 0.00 0.00 179.97 180.41 1hq4 s PHE 62 N -3.74 3.40 -0.26 4.08 0.40 -0.86 -1.92 117.98 119.07 1hq4 s PHE 62 Ca 0.00 1.50 -0.25 0.00 -0.60 0.00 0.00 56.93 57.58 1hq4 s PHE 62 Cb 0.10 -2.79 0.10 0.00 0.51 0.00 0.00 43.02 40.93 1hq4 s PHE 62 CO 0.55 -0.24 0.87 0.45 0.70 0.00 0.00 175.22 177.55 1hq4 s SER 63 N -2.71 -0.60 0.34 1.36 0.15 -0.73 -4.99 113.70 106.53 1hq4 s SER 63 Ca 0.60 1.12 0.06 0.00 0.70 0.00 0.00 55.95 58.42 1hq4 s SER 63 Cb -0.10 1.12 -0.07 0.00 -1.71 0.00 0.00 66.02 65.27 1hq4 s SER 63 CO 0.24 -0.22 0.01 -0.83 1.20 0.00 0.00 173.24 173.64 1hq4 s GLY 64 N 0.20 2.16 -0.00 9.45 0.00 -1.26 -0.46 107.32 117.41 1hq4 s GLY 64 Ca 0.01 -2.10 -0.26 0.00 0.00 0.00 0.00 44.72 42.36 1hq4 s GLY 64 CO -0.02 -1.92 1.19 -1.14 0.00 0.00 0.00 173.10 171.21 1hq4 n SER 65 N -0.75 -1.19 0.00 1.64 3.41 -0.98 -4.50 113.62 111.25 1hq4 n SER 65 Ca -0.04 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 1hq4 n SER 65 Cb 0.66 1.85 0.00 0.00 -0.26 0.00 0.00 64.21 66.46 1hq4 n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hq4 n GLY 66 N -0.85 3.21 3.75 5.00 0.00 -1.26 -1.49 105.19 113.54 1hq4 n GLY 66 Ca 0.04 -1.98 -0.04 0.00 0.00 0.00 0.00 46.02 44.03 1hq4 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hq4 s SER 67 N 0.00 -0.20 1.42 1.61 0.15 -0.05 -4.90 113.70 111.72 1hq4 s SER 67 Ca 0.00 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1hq4 s SER 67 Cb 0.00 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1hq4 s SER 67 CO 0.00 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.11 1hq4 n GLY 68 N -0.46 1.40 0.15 9.45 0.00 -1.26 -2.11 105.19 112.37 1hq4 n GLY 68 Ca -0.06 0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.12 1hq4 n GLY 68 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1hq4 n THR 69 N 0.00 0.80 -4.04 2.61 5.66 -1.26 -2.34 114.28 115.72 1hq4 n THR 69 Ca 0.00 -0.90 -0.24 0.00 -3.05 0.00 0.00 64.05 59.86 1hq4 n THR 69 Cb 0.00 0.61 -0.17 0.00 -1.55 0.00 0.00 70.33 69.22 1hq4 n THR 69 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1hq4 s SER 70 N -0.85 1.71 0.09 1.09 0.01 -0.89 -1.94 113.70 112.92 1hq4 s SER 70 Ca 0.05 -0.21 0.05 0.00 1.31 0.00 0.00 55.95 57.15 1hq4 s SER 70 Cb 0.03 -0.66 -0.03 0.00 0.21 0.00 0.00 66.02 65.57 1hq4 s SER 70 CO 0.04 -0.10 -0.13 -0.31 0.41 0.00 0.00 173.24 173.15 1hq4 s TYR 71 N 1.44 1.24 -0.10 2.43 1.51 -0.52 -0.87 117.35 122.47 1hq4 s TYR 71 Ca -0.02 -0.53 -0.19 0.00 -1.01 0.00 0.00 57.07 55.33 1hq4 s TYR 71 Cb -0.13 -0.68 0.04 0.00 -0.11 0.00 0.00 41.96 41.08 1hq4 s TYR 71 CO -0.04 0.07 0.46 -1.54 -1.11 0.00 0.00 175.55 173.39 1hq4 s SER 72 N -2.13 -0.43 0.04 2.29 1.04 -0.55 -0.66 113.70 113.29 1hq4 s SER 72 Ca 0.03 0.64 0.02 0.00 0.48 0.00 0.00 55.95 57.12 1hq4 s SER 72 Cb -0.07 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 1hq4 s SER 72 CO 0.02 -0.33 0.04 -0.22 0.98 0.00 0.00 173.24 173.73 1hq4 s LEU 73 N -0.51 3.67 -0.01 2.42 0.20 -0.59 -2.31 118.68 121.55 1hq4 s LEU 73 Ca -0.06 -0.00 0.00 0.00 0.69 0.00 0.00 54.13 54.76 1hq4 s LEU 73 Cb -0.03 -2.23 0.01 0.00 -0.43 0.00 0.00 46.19 43.50 1hq4 s LEU 73 CO 0.03 0.23 -0.00 -0.89 -0.29 0.00 0.00 176.35 175.43 1hq4 s THR 74 N -1.23 0.09 -0.17 3.68 2.01 0.39 -0.34 115.64 120.07 1hq4 s THR 74 Ca 0.24 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.22 1hq4 s THR 74 Cb -0.12 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.25 1hq4 s THR 74 CO 0.16 0.06 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.46 1hq4 s ILE 75 N 0.32 3.64 0.00 1.82 1.01 0.67 -1.77 121.20 126.89 1hq4 s ILE 75 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1hq4 s ILE 75 Cb -0.05 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.82 1hq4 s ILE 75 CO -0.01 0.48 0.87 -1.20 0.00 0.00 0.00 174.94 175.08 1hq4 n SER 76 N 3.82 0.00 -3.89 3.58 7.64 -0.81 -2.22 113.62 121.75 1hq4 n SER 76 Ca -0.18 0.87 -0.28 0.00 1.01 0.00 0.00 58.87 60.29 1hq4 n SER 76 Cb 0.52 -0.37 -0.17 0.00 -1.01 0.00 0.00 64.21 63.19 1hq4 n SER 76 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1hq4 s SER 77 N -2.19 2.66 0.72 6.43 1.04 -1.24 -3.12 113.70 118.00 1hq4 s SER 77 Ca 0.00 -0.57 -0.16 0.00 0.48 0.00 0.00 55.95 55.70 1hq4 s SER 77 Cb 0.00 -0.89 -0.05 0.00 0.10 0.00 0.00 66.02 65.18 1hq4 s SER 77 CO 0.00 -0.17 0.39 0.80 0.98 0.00 0.00 173.24 175.25 1hq4 n MET 78 N 4.89 0.25 -4.07 4.02 1.56 0.15 -4.58 117.12 119.34 1hq4 n MET 78 Ca -0.12 0.12 -0.08 0.00 -0.27 0.00 0.00 57.70 57.34 1hq4 n MET 78 Cb 0.48 -1.71 -0.09 0.00 2.15 0.00 0.00 33.22 34.05 1hq4 n MET 78 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1hq4 s GLU 79 N -2.57 0.81 0.12 2.12 0.41 -1.26 -2.08 118.70 116.25 1hq4 s GLU 79 Ca 0.63 -1.27 -0.25 0.00 -0.41 0.00 0.00 54.97 53.68 1hq4 s GLU 79 Cb -0.35 0.25 -0.05 0.00 -1.78 0.00 0.00 34.13 32.20 1hq4 s GLU 79 CO 0.60 -0.21 1.65 0.00 -0.49 0.00 0.00 175.26 176.81 1hq4 h ALA 80 N 2.94 -0.26 0.00 5.21 0.00 -1.99 -2.27 119.26 122.90 1hq4 h ALA 80 Ca -0.34 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1hq4 h ALA 80 Cb 1.18 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1hq4 h ALA 80 CO 0.61 -0.70 0.00 1.05 0.00 0.00 0.00 179.25 180.20 1hq4 h GLU 81 N -0.33 0.00 0.00 0.00 4.11 -1.97 -2.26 114.58 114.13 1hq4 h GLU 81 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1hq4 h GLU 81 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1hq4 h GLU 81 CO -0.21 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.62 1hq4 n ASP 82 N -2.37 0.00 -4.62 3.06 9.92 -0.85 -4.71 116.55 116.98 1hq4 n ASP 82 Ca -0.00 -1.34 -0.43 0.00 -0.53 0.00 0.00 54.79 52.49 1hq4 n ASP 82 Cb 0.12 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.58 1hq4 n ASP 82 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hq4 s ALA 83 N -2.00 3.32 0.00 2.24 0.00 -0.85 -4.88 121.76 119.58 1hq4 s ALA 83 Ca 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1hq4 s ALA 83 Cb 0.13 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1hq4 s ALA 83 CO 0.21 -1.89 0.00 0.00 0.00 0.00 0.00 175.76 174.09 1hq4 n ALA 84 N 7.35 0.00 -2.54 0.00 0.00 -1.15 -4.94 120.51 119.22 1hq4 n ALA 84 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 1hq4 n ALA 84 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 1hq4 n ALA 84 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1hq4 s SER 85 N -1.43 6.62 -0.09 0.00 0.01 -0.48 -1.90 113.70 116.44 1hq4 s SER 85 Ca 0.00 0.80 -0.01 0.00 1.31 0.00 0.00 55.95 58.05 1hq4 s SER 85 Cb 0.00 -2.18 0.03 0.00 0.21 0.00 0.00 66.02 64.08 1hq4 s SER 85 CO 0.00 0.09 -0.03 -0.31 0.41 0.00 0.00 173.24 173.40 1hq4 s TYR 86 N -1.54 1.04 0.15 2.43 1.51 -0.19 -1.08 117.35 119.66 1hq4 s TYR 86 Ca 0.38 -0.43 0.08 0.00 -1.01 0.00 0.00 57.07 56.10 1hq4 s TYR 86 Cb -0.13 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.68 1hq4 s TYR 86 CO 0.20 -0.41 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.06 1hq4 s PHE 87 N 1.83 2.65 0.06 2.71 0.40 -0.49 -1.66 117.98 123.49 1hq4 s PHE 87 Ca 0.05 -0.21 0.07 0.00 -0.60 0.00 0.00 56.93 56.24 1hq4 s PHE 87 Cb -0.12 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1hq4 s PHE 87 CO -0.06 0.47 -0.16 0.00 0.70 0.00 0.00 175.22 176.16 1hq4 s LEU 89 N -1.70 2.14 -0.10 0.00 2.96 -0.11 -1.19 118.68 120.68 1hq4 s LEU 89 Ca 0.16 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1hq4 s LEU 89 Cb -0.11 -0.58 0.02 0.00 0.50 0.00 0.00 46.19 46.03 1hq4 s LEU 89 CO 0.08 0.04 -0.12 0.00 -1.32 0.00 0.00 176.35 175.03 1hq4 s GLN 90 N -0.98 1.82 -0.41 1.98 1.03 -0.95 -1.14 119.66 121.02 1hq4 s GLN 90 Ca 0.02 -0.41 0.10 0.00 0.04 0.00 0.00 55.36 55.11 1hq4 s GLN 90 Cb -0.07 -1.64 0.42 0.00 0.03 0.00 0.00 33.01 31.75 1hq4 s GLN 90 CO 0.01 -0.11 1.01 -2.67 -2.54 0.00 0.00 175.29 170.98 1hq4 n TRP 91 N 4.35 2.47 0.28 9.60 4.27 -0.48 -2.74 117.44 135.18 1hq4 n TRP 91 Ca -0.18 -3.17 0.06 0.00 -3.89 0.00 0.00 57.50 50.32 1hq4 n TRP 91 Cb 0.51 -0.26 0.09 0.00 -1.36 0.00 0.00 31.31 30.30 1hq4 n TRP 91 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1hq4 n SER 92 N -0.25 2.39 -3.64 -0.67 2.88 -1.26 -4.90 113.62 108.18 1hq4 n SER 92 Ca 0.27 -1.69 -0.10 0.00 -1.33 0.00 0.00 58.87 56.02 1hq4 n SER 92 Cb 0.68 -0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 63.98 1hq4 n SER 92 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1hq4 s SER 93 N -1.03 -0.66 0.09 -3.46 0.01 -1.26 -4.88 113.70 102.50 1hq4 s SER 93 Ca 0.19 1.22 -0.24 0.00 1.31 0.00 0.00 55.95 58.43 1hq4 s SER 93 Cb 0.12 1.25 -0.07 0.00 0.21 0.00 0.00 66.02 67.53 1hq4 s SER 93 CO 0.16 -0.21 0.72 -0.36 0.41 0.00 0.00 173.24 173.97 1hq4 s PHE 94 N 0.60 3.81 0.63 2.43 0.08 -1.26 -3.58 117.98 120.68 1hq4 s PHE 94 Ca -0.01 1.48 -0.06 0.00 0.12 0.00 0.00 56.93 58.46 1hq4 s PHE 94 Cb -0.05 -2.73 0.03 0.00 -0.57 0.00 0.00 43.02 39.70 1hq4 s PHE 94 CO -0.06 0.42 0.93 -1.25 -0.10 0.00 0.00 175.22 175.17 1hq4 s PRO 95 N -0.66 2.67 0.16 0.24 0.04 -1.26 -3.54 135.00 132.65 1hq4 s PRO 95 Ca 0.35 -0.11 -0.30 0.00 0.04 0.00 0.00 61.00 60.98 1hq4 s PRO 95 Cb -0.21 -2.25 -0.07 0.00 0.04 0.00 0.00 34.50 32.01 1hq4 s PRO 95 CO 0.23 -0.88 1.17 0.71 0.04 0.00 0.00 177.00 178.28 1hq4 s TYR 96 N -3.07 3.48 -0.01 0.56 2.02 -1.24 -2.98 117.35 116.11 1hq4 s TYR 96 Ca 0.56 1.45 0.03 0.00 -0.37 0.00 0.00 57.07 58.74 1hq4 s TYR 96 Cb -0.11 -3.38 -0.00 0.00 -0.40 0.00 0.00 41.96 38.07 1hq4 s TYR 96 CO 0.45 -1.05 -0.10 0.95 -1.57 0.00 0.00 175.55 174.23 1hq4 s THR 97 N 0.14 0.82 0.67 -0.71 -4.23 -1.11 -4.97 115.64 106.26 1hq4 s THR 97 Ca 0.53 -0.42 0.01 0.00 -1.18 0.00 0.00 61.69 60.63 1hq4 s THR 97 Cb -0.31 -0.70 0.11 0.00 1.34 0.00 0.00 72.50 72.93 1hq4 s THR 97 CO 0.34 0.24 0.93 -0.36 -0.54 0.00 0.00 174.62 175.23 1hq4 s PHE 98 N -0.09 1.77 0.33 3.99 0.40 -1.26 -2.24 117.98 120.88 1hq4 s PHE 98 Ca 0.01 -0.30 0.07 0.00 -0.60 0.00 0.00 56.93 56.12 1hq4 s PHE 98 Cb -0.06 -2.84 -0.03 0.00 0.51 0.00 0.00 43.02 40.60 1hq4 s PHE 98 CO -0.00 -1.49 0.29 0.20 0.70 0.00 0.00 175.22 174.91 1hq4 s GLY 99 N -4.67 1.74 0.54 4.36 0.00 -0.34 -4.25 107.32 104.70 1hq4 s GLY 99 Ca 0.64 -1.63 0.20 0.00 0.00 0.00 0.00 44.72 43.93 1hq4 s GLY 99 CO 0.43 -1.56 2.17 -1.33 0.00 0.00 0.00 173.10 172.80 1hq4 h GLY 100 N 1.26 0.00 0.00 0.20 0.00 -1.91 -3.43 103.07 99.19 1hq4 h GLY 100 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1hq4 h GLY 100 CO 0.58 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.73 1hq4 n GLY 101 N -1.49 2.40 2.77 4.60 0.00 -1.26 -5.00 105.19 107.20 1hq4 n GLY 101 Ca -0.02 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.85 1hq4 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hq4 s THR 102 N -2.89 0.27 0.08 2.61 2.01 -0.66 -4.62 115.64 112.45 1hq4 s THR 102 Ca 0.00 0.16 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 1hq4 s THR 102 Cb 0.00 -0.43 -0.06 0.00 0.01 0.00 0.00 72.50 72.02 1hq4 s THR 102 CO 0.00 0.23 0.43 -0.75 -0.69 0.00 0.00 174.62 173.83 1hq4 s LYS 103 N 1.82 3.81 -0.14 4.92 2.20 -0.71 -1.02 119.74 130.61 1hq4 s LYS 103 Ca 0.02 0.24 -0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1hq4 s LYS 103 Cb -0.12 -3.00 0.03 0.00 -1.51 0.00 0.00 37.83 33.23 1hq4 s LYS 103 CO -0.04 0.56 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.92 1hq4 s LEU 104 N -1.86 1.47 -0.03 5.43 1.43 -0.80 -2.72 118.68 121.60 1hq4 s LEU 104 Ca 0.33 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1hq4 s LEU 104 Cb -0.14 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 1hq4 s LEU 104 CO 0.18 -0.14 0.11 -1.61 0.23 0.00 0.00 176.35 175.12 1hq4 s GLU 105 N 1.64 3.22 -0.44 1.70 2.02 -0.28 -2.95 118.70 123.61 1hq4 s GLU 105 Ca 0.03 -0.38 -0.22 0.00 0.02 0.00 0.00 54.97 54.43 1hq4 s GLU 105 Cb -0.14 -2.97 0.02 0.00 0.10 0.00 0.00 34.13 31.14 1hq4 s GLU 105 CO -0.08 0.68 0.70 -1.17 0.02 0.00 0.00 175.26 175.41 1hq4 s LEU 106 N -1.61 4.39 0.36 1.80 1.98 -1.26 -1.17 118.68 123.17 1hq4 s LEU 106 Ca 0.22 -0.22 -0.28 0.00 -2.89 0.00 0.00 54.13 50.95 1hq4 s LEU 106 Cb -0.12 -2.82 -0.11 0.00 0.66 0.00 0.00 46.19 43.80 1hq4 s LEU 106 CO 0.13 -0.82 1.47 -0.54 -1.89 0.00 0.00 176.35 174.69 1hq4 s LYS 107 N 3.00 4.15 0.26 1.98 1.02 -0.55 -4.91 119.74 124.69 1hq4 s LYS 107 Ca 0.26 2.51 0.04 0.00 0.02 0.00 0.00 55.97 58.80 1hq4 s LYS 107 Cb -0.13 -2.99 -0.02 0.00 -0.52 0.00 0.00 37.83 34.17 1hq4 s LYS 107 CO 0.20 -0.49 0.26 2.89 -0.92 0.00 0.00 175.35 177.29 1hq4 n ARG 108 N 0.74 0.37 -2.32 1.68 -4.01 -1.26 -4.53 116.66 107.33 1hq4 n ARG 108 Ca 0.02 -2.49 -0.40 0.00 -1.04 0.00 0.00 57.85 53.94 1hq4 n ARG 108 Cb 0.39 2.12 -0.03 0.00 -3.04 0.00 0.00 32.46 31.90 1hq4 n ARG 108 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1hq4 s ALA 109 N -2.93 3.33 0.53 2.89 0.00 -1.26 -4.96 121.76 119.36 1hq4 s ALA 109 Ca 0.29 1.01 -0.21 0.00 0.00 0.00 0.00 51.96 53.05 1hq4 s ALA 109 Cb 0.01 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 1hq4 s ALA 109 CO 0.21 -0.41 0.96 -0.25 0.00 0.00 0.00 175.76 176.27 1hq4 n ASP 110 N 0.66 0.91 -3.77 0.00 10.43 -1.26 -4.83 116.55 118.69 1hq4 n ASP 110 Ca 0.01 0.90 -0.13 0.00 2.57 0.00 0.00 54.79 58.14 1hq4 n ASP 110 Cb 0.45 -1.37 -0.11 0.00 1.84 0.00 0.00 41.12 41.93 1hq4 n ASP 110 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1hq4 s VAL 111 N -1.43 0.01 0.12 2.53 0.11 0.10 -4.94 120.40 116.90 1hq4 s VAL 111 Ca 0.70 -0.08 -0.14 0.00 -2.93 0.00 0.00 61.98 59.53 1hq4 s VAL 111 Cb -0.47 -0.47 -0.07 0.00 -1.53 0.00 0.00 36.38 33.85 1hq4 s VAL 111 CO 0.52 -0.04 0.52 0.00 -3.33 0.00 0.00 175.10 172.77 1hq4 s ALA 112 N -0.06 3.61 0.51 1.54 0.00 -1.26 -2.43 121.76 123.67 1hq4 s ALA 112 Ca -0.02 -0.15 -0.21 0.00 0.00 0.00 0.00 51.96 51.58 1hq4 s ALA 112 Cb -0.03 -2.49 -0.06 0.00 0.00 0.00 0.00 23.12 20.54 1hq4 s ALA 112 CO 0.01 0.46 1.15 -1.25 0.00 0.00 0.00 175.76 176.13 1hq4 s PRO 113 N -1.80 3.52 -0.37 0.00 0.04 -1.26 -4.69 135.00 130.44 1hq4 s PRO 113 Ca 0.35 1.69 -0.09 0.00 0.04 0.00 0.00 61.00 63.00 1hq4 s PRO 113 Cb -0.15 -2.18 0.04 0.00 0.04 0.00 0.00 34.50 32.25 1hq4 s PRO 113 CO 0.19 -0.73 0.17 0.99 0.04 0.00 0.00 177.00 177.66 1hq4 s THR 114 N -1.66 4.18 -0.05 1.26 2.01 -0.85 -4.90 115.64 115.64 1hq4 s THR 114 Ca 0.69 -1.07 -0.12 0.00 0.31 0.00 0.00 61.69 61.50 1hq4 s THR 114 Cb -0.26 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1hq4 s THR 114 CO 0.31 -0.26 0.31 -0.69 -0.69 0.00 0.00 174.62 173.59 1hq4 s VAL 115 N 1.47 5.21 0.06 3.82 1.01 -1.26 -1.76 120.40 128.95 1hq4 s VAL 115 Ca 0.01 0.60 0.04 0.00 0.00 0.00 0.00 61.98 62.63 1hq4 s VAL 115 Cb -0.20 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1hq4 s VAL 115 CO 0.04 0.59 -0.12 -0.44 0.00 0.00 0.00 175.10 175.17 1hq4 s SER 116 N -1.06 1.43 0.08 3.32 0.01 -0.41 -4.98 113.70 112.09 1hq4 s SER 116 Ca 0.20 -0.60 0.06 0.00 1.31 0.00 0.00 55.95 56.92 1hq4 s SER 116 Cb -0.15 -0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 1hq4 s SER 116 CO 0.10 -0.12 -0.15 -0.51 0.41 0.00 0.00 173.24 172.97 1hq4 s ILE 117 N -1.32 1.21 -0.04 1.44 2.07 -1.26 -1.53 121.20 121.78 1hq4 s ILE 117 Ca -0.04 -1.34 -0.01 0.00 -1.41 0.00 0.00 60.65 57.85 1hq4 s ILE 117 Cb -0.10 -1.15 0.03 0.00 0.13 0.00 0.00 42.46 41.37 1hq4 s ILE 117 CO 0.02 -0.19 0.07 -0.36 -1.91 0.00 0.00 174.94 172.56 1hq4 s PHE 118 N -1.25 -0.03 0.81 3.50 0.40 0.23 -5.00 117.98 116.65 1hq4 s PHE 118 Ca -0.01 0.25 -0.12 0.00 -0.60 0.00 0.00 56.93 56.46 1hq4 s PHE 118 Cb -0.10 -0.21 0.08 0.00 0.51 0.00 0.00 43.02 43.30 1hq4 s PHE 118 CO 0.03 -0.12 1.14 -1.25 0.70 0.00 0.00 175.22 175.72 1hq4 s PRO 119 N 1.21 1.96 1.29 0.24 0.04 -1.26 -2.21 135.00 136.28 1hq4 s PRO 119 Ca -0.08 0.28 -0.17 0.00 0.04 0.00 0.00 61.00 61.07 1hq4 s PRO 119 Cb -0.13 -1.93 0.32 0.00 0.04 0.00 0.00 34.50 32.80 1hq4 s PRO 119 CO -0.04 -1.63 0.90 -2.30 0.04 0.00 0.00 177.00 173.97 1hq4 n PRO 120 N -3.37 -3.37 -3.95 0.56 -0.02 -1.22 -4.82 135.00 118.81 1hq4 n PRO 120 Ca 0.07 -0.98 -0.22 0.00 -2.02 0.00 0.00 63.50 60.36 1hq4 n PRO 120 Cb 0.59 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 1hq4 n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1hq4 s SER 121 N -2.57 5.11 0.13 2.55 1.04 -1.26 -5.02 113.70 113.67 1hq4 s SER 121 Ca 0.67 -0.56 -0.20 0.00 0.48 0.00 0.00 55.95 56.35 1hq4 s SER 121 Cb -0.20 -0.94 -0.03 0.00 0.10 0.00 0.00 66.02 64.95 1hq4 s SER 121 CO 0.62 -0.29 1.72 0.28 0.98 0.00 0.00 173.24 176.55 1hq4 h SER 122 N 1.38 -0.10 -0.33 7.02 0.02 -1.99 -2.76 113.55 116.79 1hq4 h SER 122 Ca -0.45 0.05 0.07 0.00 -0.84 0.00 0.00 61.79 60.62 1hq4 h SER 122 Cb 1.25 0.09 -0.07 0.00 0.14 0.00 0.00 62.40 63.80 1hq4 h SER 122 CO 0.60 -0.02 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.77 1hq4 h GLU 123 N 0.06 -0.12 -0.05 3.45 5.08 -1.99 0.11 114.58 121.12 1hq4 h GLU 123 Ca 0.10 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1hq4 h GLU 123 Cb 0.13 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1hq4 h GLU 123 CO -0.17 -0.08 -0.24 0.37 -1.00 0.00 0.00 179.01 177.89 1hq4 h GLN 124 N -0.12 0.09 -0.26 2.33 4.15 -1.83 -2.52 115.11 116.94 1hq4 h GLN 124 Ca 0.17 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 1hq4 h GLN 124 Cb 0.38 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1hq4 h GLN 124 CO -0.41 0.33 -0.00 -0.07 -1.93 0.00 0.00 178.83 176.75 1hq4 h LEU 125 N 0.08 0.45 -0.97 -2.39 4.07 -1.00 -1.63 115.31 113.92 1hq4 h LEU 125 Ca 0.01 -0.31 0.15 0.00 0.08 0.00 0.00 57.88 57.81 1hq4 h LEU 125 Cb 0.48 -0.12 -0.09 0.00 1.08 0.00 0.00 40.66 42.01 1hq4 h LEU 125 CO 0.03 0.65 0.59 0.74 -1.08 0.00 0.00 178.44 179.37 1hq4 h THR 126 N 0.24 0.81 0.00 0.22 2.02 -0.60 0.77 112.91 116.37 1hq4 h THR 126 Ca 0.07 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1hq4 h THR 126 Cb 0.42 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1hq4 h THR 126 CO 0.01 0.15 0.00 -0.24 0.37 0.00 0.00 175.52 175.82 1hq4 n SER 127 N -4.72 0.00 0.00 4.18 2.88 -0.97 -4.84 113.62 110.16 1hq4 n SER 127 Ca 0.20 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 1hq4 n SER 127 Cb 0.44 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 1hq4 n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1hq4 n GLY 128 N -0.29 0.64 3.17 0.46 0.00 0.27 -5.07 105.19 104.37 1hq4 n GLY 128 Ca 0.03 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 1hq4 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hq4 s GLY 129 N -2.80 0.78 -0.08 -0.02 0.00 -0.65 -3.02 107.32 101.53 1hq4 s GLY 129 Ca 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 44.72 43.32 1hq4 s GLY 129 CO 0.00 -1.45 0.18 0.00 0.00 0.00 0.00 173.10 171.83 1hq4 s ALA 130 N -3.66 -0.31 -0.12 3.20 0.00 0.39 -2.85 121.76 118.41 1hq4 s ALA 130 Ca 0.13 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.82 1hq4 s ALA 130 Cb 0.06 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1hq4 s ALA 130 CO -0.04 -0.34 -0.15 -1.12 0.00 0.00 0.00 175.76 174.11 1hq4 s SER 131 N 1.66 2.48 -0.23 0.00 0.01 -1.26 0.85 113.70 117.21 1hq4 s SER 131 Ca -0.04 -0.43 -0.08 0.00 1.31 0.00 0.00 55.95 56.70 1hq4 s SER 131 Cb -0.12 -1.10 -0.04 0.00 0.21 0.00 0.00 66.02 64.98 1hq4 s SER 131 CO -0.07 -0.01 0.10 -0.69 0.41 0.00 0.00 173.24 172.98 1hq4 s VAL 132 N 1.14 4.75 -0.09 3.43 1.01 0.36 -3.38 120.40 127.62 1hq4 s VAL 132 Ca -0.03 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1hq4 s VAL 132 Cb -0.14 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1hq4 s VAL 132 CO -0.04 0.37 -0.10 -0.69 0.00 0.00 0.00 175.10 174.64 1hq4 s VAL 133 N 1.13 3.40 -0.08 2.92 1.01 -0.94 -0.73 120.40 127.11 1hq4 s VAL 133 Ca 0.05 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1hq4 s VAL 133 Cb -0.14 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.85 1hq4 s VAL 133 CO 0.04 0.56 -0.12 0.00 0.00 0.00 0.00 175.10 175.58 1hq4 s PHE 135 N 0.96 3.06 -0.33 0.00 0.08 -0.58 0.01 117.98 121.17 1hq4 s PHE 135 Ca -0.09 -0.14 0.04 0.00 0.12 0.00 0.00 56.93 56.86 1hq4 s PHE 135 Cb -0.15 -1.91 0.10 0.00 -0.57 0.00 0.00 43.02 40.48 1hq4 s PHE 135 CO 0.00 0.11 0.04 -0.51 -0.10 0.00 0.00 175.22 174.76 1hq4 s LEU 136 N 0.02 4.63 0.04 -0.37 1.02 0.11 -1.28 118.68 122.85 1hq4 s LEU 136 Ca 0.01 -2.07 -0.02 0.00 0.02 0.00 0.00 54.13 52.07 1hq4 s LEU 136 Cb -0.13 -1.63 -0.04 0.00 0.02 0.00 0.00 46.19 44.41 1hq4 s LEU 136 CO 0.02 -0.36 0.23 0.20 0.02 0.00 0.00 176.35 176.46 1hq4 s ASN 137 N 0.94 6.39 -1.01 2.29 0.01 -0.72 0.12 114.94 122.96 1hq4 s ASN 137 Ca 0.09 0.36 -0.15 0.00 -0.71 0.00 0.00 52.86 52.45 1hq4 s ASN 137 Cb -0.19 -2.00 -0.00 0.00 0.41 0.00 0.00 41.25 39.47 1hq4 s ASN 137 CO -0.08 0.19 0.73 0.59 -1.51 0.00 0.00 177.10 177.02 1hq4 n ASN 138 N 0.55 -5.50 -4.46 -1.22 3.02 -0.47 -2.00 115.26 105.18 1hq4 n ASN 138 Ca -0.07 -0.89 -0.23 0.00 -0.03 0.00 0.00 54.58 53.36 1hq4 n ASN 138 Cb 0.52 -3.12 -0.10 0.00 -0.61 0.00 0.00 39.78 36.47 1hq4 n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1hq4 s PHE 139 N -3.29 2.08 -0.28 3.10 -0.71 -0.01 -4.53 117.98 114.33 1hq4 s PHE 139 Ca 0.30 -0.65 -0.22 0.00 -1.04 0.00 0.00 56.93 55.32 1hq4 s PHE 139 Cb -0.12 -1.20 0.12 0.00 -1.21 0.00 0.00 43.02 40.61 1hq4 s PHE 139 CO 0.86 0.36 0.96 -0.47 -1.34 0.00 0.00 175.22 175.59 1hq4 s TYR 140 N -2.91 -0.58 1.27 3.49 6.14 -1.02 -0.96 117.35 122.78 1hq4 s TYR 140 Ca 0.31 1.32 -0.20 0.00 0.64 0.00 0.00 57.07 59.13 1hq4 s TYR 140 Cb 0.04 0.37 0.32 0.00 0.42 0.00 0.00 41.96 43.11 1hq4 s TYR 140 CO 0.13 -0.28 0.72 -2.30 0.64 0.00 0.00 175.55 174.46 1hq4 n PRO 141 N 2.79 -4.01 0.08 4.97 -0.02 -1.26 -0.72 135.00 136.82 1hq4 n PRO 141 Ca -0.15 -1.21 0.00 0.00 -2.02 0.00 0.00 63.50 60.13 1hq4 n PRO 141 Cb 0.56 -1.67 -0.04 0.00 -0.02 0.00 0.00 33.50 32.34 1hq4 n PRO 141 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1hq4 h LYS 142 N 0.00 0.00 -6.25 -0.52 3.64 -1.99 -3.45 116.57 108.00 1hq4 h LYS 142 Ca -0.33 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.50 1hq4 h LYS 142 Cb 1.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1hq4 h LYS 142 CO 0.20 0.46 1.00 0.16 -2.27 0.00 0.00 179.45 178.99 1hq4 s ASP 143 N -6.18 6.77 -0.12 4.20 3.84 -1.26 -4.96 116.67 118.96 1hq4 s ASP 143 Ca 0.00 2.07 -0.24 0.00 -0.00 0.00 0.00 52.55 54.38 1hq4 s ASP 143 Cb 0.08 -2.54 0.06 0.00 -1.38 0.00 0.00 42.92 39.14 1hq4 s ASP 143 CO 0.78 -0.85 0.58 -0.51 -0.00 0.00 0.00 175.17 175.18 1hq4 s ILE 144 N 3.63 0.01 0.01 2.11 2.07 -1.26 -4.70 121.20 123.06 1hq4 s ILE 144 Ca 0.67 -0.08 0.04 0.00 -1.41 0.00 0.00 60.65 59.87 1hq4 s ILE 144 Cb -0.30 -0.87 -0.03 0.00 0.13 0.00 0.00 42.46 41.39 1hq4 s ILE 144 CO 0.25 -0.05 -0.11 0.21 -1.91 0.00 0.00 174.94 173.33 1hq4 s ASN 145 N -0.58 4.30 -0.07 4.50 2.47 -1.03 -5.00 114.94 119.52 1hq4 s ASN 145 Ca -0.07 -0.23 0.01 0.00 0.42 0.00 0.00 52.86 52.99 1hq4 s ASN 145 Cb -0.03 -0.91 0.02 0.00 -1.45 0.00 0.00 41.25 38.88 1hq4 s ASN 145 CO 0.05 0.28 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.94 1hq4 s VAL 146 N -0.94 0.95 0.08 -5.21 1.01 -1.26 -1.22 120.40 113.81 1hq4 s VAL 146 Ca 0.15 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 61.90 1hq4 s VAL 146 Cb -0.11 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1hq4 s VAL 146 CO 0.06 0.32 -0.25 -0.54 0.00 0.00 0.00 175.10 174.69 1hq4 s LYS 147 N 0.97 1.68 -0.06 2.72 1.02 0.22 -4.99 119.74 121.30 1hq4 s LYS 147 Ca -0.09 -1.19 0.02 0.00 0.02 0.00 0.00 55.97 54.72 1hq4 s LYS 147 Cb -0.15 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.15 1hq4 s LYS 147 CO 0.00 0.49 -0.10 -1.58 -0.92 0.00 0.00 175.35 173.24 1hq4 s TRP 148 N -0.94 2.84 -0.07 3.18 0.52 -1.26 -0.69 118.94 122.52 1hq4 s TRP 148 Ca 0.13 -0.05 0.01 0.00 0.02 0.00 0.00 56.10 56.21 1hq4 s TRP 148 Cb -0.10 -1.67 0.02 0.00 -1.15 0.00 0.00 33.47 30.57 1hq4 s TRP 148 CO 0.05 0.28 -0.07 0.15 0.02 0.00 0.00 176.95 177.38 1hq4 s LYS 149 N -0.82 1.19 -0.21 4.98 1.02 -0.57 -1.82 119.74 123.50 1hq4 s LYS 149 Ca 0.12 -0.20 -0.03 0.00 0.02 0.00 0.00 55.97 55.88 1hq4 s LYS 149 Cb -0.11 -1.16 -0.01 0.00 -0.52 0.00 0.00 37.83 36.03 1hq4 s LYS 149 CO 0.01 -0.11 -0.06 0.42 -0.92 0.00 0.00 175.35 174.69 1hq4 s ILE 150 N 1.12 3.24 -1.42 2.17 1.01 0.21 -0.90 121.20 126.63 1hq4 s ILE 150 Ca -0.07 -0.54 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 1hq4 s ILE 150 Cb -0.14 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 39.89 1hq4 s ILE 150 CO -0.01 0.44 0.58 0.47 0.00 0.00 0.00 174.94 176.42 1hq4 n ASP 151 N 4.76 -1.24 0.00 3.58 10.43 0.02 -0.41 116.55 133.69 1hq4 n ASP 151 Ca -0.18 -0.94 0.00 0.00 2.57 0.00 0.00 54.79 56.24 1hq4 n ASP 151 Cb 0.51 -3.37 0.00 0.00 1.84 0.00 0.00 41.12 40.09 1hq4 n ASP 151 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1hq4 n GLY 152 N -1.79 0.89 3.84 0.44 0.00 -1.26 -4.96 105.19 102.35 1hq4 n GLY 152 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 1hq4 n GLY 152 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hq4 s SER 153 N -2.67 6.67 -0.21 1.61 0.15 0.45 -4.98 113.70 114.71 1hq4 s SER 153 Ca 0.00 0.79 -0.27 0.00 0.70 0.00 0.00 55.95 57.17 1hq4 s SER 153 Cb 0.00 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1hq4 s SER 153 CO 0.00 0.34 0.95 -0.70 1.20 0.00 0.00 173.24 175.03 1hq4 s GLU 154 N -0.98 4.26 -0.15 5.44 2.12 -1.26 0.66 118.70 128.79 1hq4 s GLU 154 Ca 0.21 1.21 -0.01 0.00 0.36 0.00 0.00 54.97 56.74 1hq4 s GLU 154 Cb -0.15 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 1hq4 s GLU 154 CO 0.10 -0.53 -0.12 0.50 -0.54 0.00 0.00 175.26 174.67 1hq4 s ARG 155 N 2.86 3.35 0.00 4.30 3.52 -0.76 -4.96 118.95 127.26 1hq4 s ARG 155 Ca 0.41 -0.69 0.03 0.00 -0.13 0.00 0.00 55.73 55.36 1hq4 s ARG 155 Cb -0.16 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 30.55 1hq4 s ARG 155 CO 0.08 0.11 0.41 0.00 -0.81 0.00 0.00 175.30 175.10 1hq4 n GLN 156 N 3.83 2.15 -3.64 5.12 0.00 -1.26 -4.24 117.38 119.35 1hq4 n GLN 156 Ca -0.18 -0.42 -0.36 0.00 0.00 0.00 0.00 57.00 56.04 1hq4 n GLN 156 Cb 0.52 -0.89 -0.09 0.00 0.00 0.00 0.00 30.24 29.78 1hq4 n GLN 156 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1hq4 s ASN 157 N -0.70 6.19 0.00 2.61 0.02 -1.26 -4.22 114.94 117.57 1hq4 s ASN 157 Ca 0.03 0.20 0.00 0.00 -1.02 0.00 0.00 52.86 52.07 1hq4 s ASN 157 Cb 0.03 -2.12 0.00 0.00 0.02 0.00 0.00 41.25 39.18 1hq4 s ASN 157 CO 0.08 0.08 0.00 0.61 0.02 0.00 0.00 177.10 177.89 1hq4 n GLY 158 N 4.01 1.49 3.33 0.66 0.00 -1.26 -4.88 105.19 108.55 1hq4 n GLY 158 Ca -0.14 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1hq4 n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hq4 s VAL 159 N -2.05 3.59 -0.37 1.61 1.01 -1.26 -1.94 120.40 120.98 1hq4 s VAL 159 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 1hq4 s VAL 159 Cb 0.00 -2.68 0.07 0.00 0.00 0.00 0.00 36.38 33.77 1hq4 s VAL 159 CO 0.00 0.36 0.16 -0.22 0.00 0.00 0.00 175.10 175.40 1hq4 s LEU 160 N 1.50 4.72 -0.01 3.92 2.96 0.96 -4.94 118.68 127.79 1hq4 s LEU 160 Ca 0.05 -1.47 -0.03 0.00 -0.22 0.00 0.00 54.13 52.46 1hq4 s LEU 160 Cb -0.15 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1hq4 s LEU 160 CO -0.01 -0.43 0.18 0.20 -1.32 0.00 0.00 176.35 174.96 1hq4 s ASN 161 N 1.71 6.36 -0.14 3.68 0.01 -1.26 -1.94 114.94 123.35 1hq4 s ASN 161 Ca 0.01 0.35 -0.07 0.00 -0.71 0.00 0.00 52.86 52.44 1hq4 s ASN 161 Cb -0.21 -2.00 0.06 0.00 0.41 0.00 0.00 41.25 39.51 1hq4 s ASN 161 CO 0.00 0.27 0.33 -0.55 -1.51 0.00 0.00 177.10 175.64 1hq4 s SER 162 N -1.91 -0.30 0.15 -1.22 0.15 -0.80 -5.01 113.70 104.76 1hq4 s SER 162 Ca 0.27 0.73 0.04 0.00 0.70 0.00 0.00 55.95 57.69 1hq4 s SER 162 Cb -0.13 0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 1hq4 s SER 162 CO 0.18 -0.19 0.18 0.26 1.20 0.00 0.00 173.24 174.87 1hq4 s TRP 163 N 1.57 3.27 0.00 3.44 0.51 -1.26 -1.89 118.94 124.57 1hq4 s TRP 163 Ca -0.08 0.04 0.00 0.00 -2.12 0.00 0.00 56.10 53.94 1hq4 s TRP 163 Cb -0.10 -1.57 0.00 0.00 -0.81 0.00 0.00 33.47 30.99 1hq4 s TRP 163 CO -0.11 0.52 0.00 0.25 -0.51 0.00 0.00 176.95 177.10 1hq4 n THR 164 N -0.36 0.00 -3.81 2.01 -2.24 -0.78 -5.03 114.28 104.08 1hq4 n THR 164 Ca -0.08 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.49 1hq4 n THR 164 Cb 0.54 -1.28 -0.04 0.00 -2.10 0.00 0.00 70.33 67.46 1hq4 n THR 164 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1hq4 s ASP 165 N -1.00 5.16 -0.18 3.42 1.01 -1.26 -4.80 116.67 119.02 1hq4 s ASP 165 Ca 0.00 -0.58 -0.35 0.00 0.71 0.00 0.00 52.55 52.33 1hq4 s ASP 165 Cb 0.00 -0.87 -0.12 0.00 1.01 0.00 0.00 42.92 42.94 1hq4 s ASP 165 CO 0.00 -0.40 1.94 1.67 0.21 0.00 0.00 175.17 178.59 1hq4 n GLN 166 N -1.37 1.77 -1.76 8.23 7.27 -1.26 -4.72 117.38 125.54 1hq4 n GLN 166 Ca -0.01 0.62 -0.41 0.00 0.07 0.00 0.00 57.00 57.27 1hq4 n GLN 166 Cb 0.60 -2.55 -0.00 0.00 2.41 0.00 0.00 30.24 30.70 1hq4 n GLN 166 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1hq4 n ASP 167 N 7.34 3.55 0.05 1.69 -0.08 0.74 -4.86 116.55 124.98 1hq4 n ASP 167 Ca 0.27 1.22 0.13 0.00 -1.51 0.00 0.00 54.79 54.90 1hq4 n ASP 167 Cb 0.26 -1.59 0.46 0.00 2.34 0.00 0.00 41.12 42.59 1hq4 n ASP 167 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1hq4 n SER 168 N 0.60 0.42 -0.03 1.67 3.41 -1.26 -0.62 113.62 117.82 1hq4 n SER 168 Ca 0.02 0.41 -0.18 0.00 -0.26 0.00 0.00 58.87 58.86 1hq4 n SER 168 Cb 0.38 -0.47 -0.14 0.00 -0.26 0.00 0.00 64.21 63.73 1hq4 n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1hq4 n LYS 169 N -1.85 0.72 0.00 4.33 4.01 -1.26 -4.67 118.16 119.44 1hq4 n LYS 169 Ca 0.06 0.23 0.00 0.00 -0.51 0.00 0.00 58.31 58.09 1hq4 n LYS 169 Cb 0.38 -1.68 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 1hq4 n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1hq4 n ASP 170 N -3.35 0.59 -1.45 4.39 5.68 -1.25 -5.01 116.55 116.14 1hq4 n ASP 170 Ca -0.32 -1.15 -0.18 0.00 -0.50 0.00 0.00 54.79 52.63 1hq4 n ASP 170 Cb 1.04 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.95 1hq4 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1hq4 n SER 171 N -0.07 -5.21 -4.93 -1.12 7.64 0.21 -4.96 113.62 105.18 1hq4 n SER 171 Ca 0.00 0.42 -0.20 0.00 1.01 0.00 0.00 58.87 60.10 1hq4 n SER 171 Cb 0.23 -4.32 0.05 0.00 -1.01 0.00 0.00 64.21 59.16 1hq4 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1hq4 s THR 172 N -2.70 2.50 0.34 0.44 -4.23 -1.26 -4.51 115.64 106.22 1hq4 s THR 172 Ca 0.00 -0.81 0.09 0.00 -1.18 0.00 0.00 61.69 59.79 1hq4 s THR 172 Cb 0.00 -2.69 -0.06 0.00 1.34 0.00 0.00 72.50 71.08 1hq4 s THR 172 CO 0.00 0.00 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.68 1hq4 s TYR 173 N -2.73 2.35 -0.08 3.99 2.02 -0.13 -0.19 117.35 122.58 1hq4 s TYR 173 Ca 0.60 -0.52 -0.07 0.00 -0.37 0.00 0.00 57.07 56.70 1hq4 s TYR 173 Cb -0.08 -1.35 0.02 0.00 -0.40 0.00 0.00 41.96 40.16 1hq4 s TYR 173 CO 0.39 0.55 0.21 -1.12 -1.57 0.00 0.00 175.55 174.00 1hq4 s SER 174 N -3.59 -0.22 0.12 2.29 0.01 -1.26 -0.83 113.70 110.22 1hq4 s SER 174 Ca 0.32 0.42 0.07 0.00 1.31 0.00 0.00 55.95 58.07 1hq4 s SER 174 Cb 0.03 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 1hq4 s SER 174 CO 0.16 -0.08 -0.17 -0.32 0.41 0.00 0.00 173.24 173.25 1hq4 s MET 175 N 0.17 1.06 -0.08 12.44 1.75 0.12 -1.87 119.30 132.89 1hq4 s MET 175 Ca -0.00 -1.21 0.02 0.00 -1.25 0.00 0.00 55.69 53.25 1hq4 s MET 175 Cb -0.02 -1.09 0.01 0.00 2.84 0.00 0.00 34.83 36.57 1hq4 s MET 175 CO -0.00 0.23 -0.12 0.45 -0.65 0.00 0.00 175.02 174.93 1hq4 s SER 176 N -2.25 1.95 -0.07 1.11 0.15 -0.79 0.05 113.70 113.85 1hq4 s SER 176 Ca 0.08 -0.32 0.05 0.00 0.70 0.00 0.00 55.95 56.46 1hq4 s SER 176 Cb -0.07 -0.88 -0.01 0.00 -1.71 0.00 0.00 66.02 63.36 1hq4 s SER 176 CO 0.04 0.01 -0.24 -0.55 1.20 0.00 0.00 173.24 173.69 1hq4 s SER 177 N 0.86 3.10 -0.05 5.45 0.15 0.10 -1.89 113.70 121.42 1hq4 s SER 177 Ca -0.11 -0.52 0.02 0.00 0.70 0.00 0.00 55.95 56.04 1hq4 s SER 177 Cb -0.15 -1.04 0.02 0.00 -1.71 0.00 0.00 66.02 63.14 1hq4 s SER 177 CO 0.01 0.22 -0.08 -0.89 1.20 0.00 0.00 173.24 173.70 1hq4 s THR 178 N 0.00 0.77 -0.16 6.45 2.01 -0.82 0.03 115.64 123.92 1hq4 s THR 178 Ca -0.09 -0.28 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 1hq4 s THR 178 Cb -0.15 -0.74 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 1hq4 s THR 178 CO 0.05 0.27 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.93 1hq4 s LEU 179 N 0.72 2.75 -0.17 4.42 2.96 0.10 -0.03 118.68 129.43 1hq4 s LEU 179 Ca -0.12 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1hq4 s LEU 179 Cb -0.14 -1.65 -0.00 0.00 0.50 0.00 0.00 46.19 44.89 1hq4 s LEU 179 CO 0.02 0.09 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.12 1hq4 s THR 180 N 0.79 2.86 0.29 3.68 2.01 -0.82 -0.48 115.64 123.97 1hq4 s THR 180 Ca -0.04 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.30 1hq4 s THR 180 Cb -0.15 -2.23 -0.06 0.00 0.01 0.00 0.00 72.50 70.07 1hq4 s THR 180 CO 0.01 0.49 0.04 -0.76 -0.69 0.00 0.00 174.62 173.72 1hq4 s LEU 181 N 0.98 2.13 0.25 4.42 1.43 0.25 -4.83 118.68 123.31 1hq4 s LEU 181 Ca -0.02 -1.33 -0.24 0.00 -1.03 0.00 0.00 54.13 51.51 1hq4 s LEU 181 Cb -0.15 -0.33 -0.09 0.00 0.03 0.00 0.00 46.19 45.66 1hq4 s LEU 181 CO -0.02 -0.58 0.84 0.42 0.23 0.00 0.00 176.35 177.24 1hq4 s THR 182 N -3.36 4.34 0.54 5.49 -4.23 -1.26 -0.46 115.64 116.70 1hq4 s THR 182 Ca 0.35 1.65 0.33 0.00 -1.18 0.00 0.00 61.69 62.84 1hq4 s THR 182 Cb 0.08 -4.01 0.51 0.00 1.34 0.00 0.00 72.50 70.41 1hq4 s THR 182 CO 0.14 0.26 1.86 0.50 -0.54 0.00 0.00 174.62 176.84 1hq4 h LYS 183 N 3.55 0.01 0.35 3.99 3.11 -1.76 0.39 116.57 126.20 1hq4 h LYS 183 Ca -0.47 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.36 1hq4 h LYS 183 Cb 1.20 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.40 1hq4 h LYS 183 CO 0.65 0.00 -0.44 0.22 -2.81 0.00 0.00 179.45 177.08 1hq4 h ASP 184 N 0.01 -1.24 0.90 4.20 3.58 -1.90 -2.67 116.42 119.30 1hq4 h ASP 184 Ca 0.48 0.11 -0.02 0.00 0.42 0.00 0.00 57.03 58.02 1hq4 h ASP 184 Cb 1.91 0.42 -0.00 0.00 1.72 0.00 0.00 39.33 43.38 1hq4 h ASP 184 CO -0.01 -0.55 -0.09 -0.08 -2.88 0.00 0.00 179.24 175.63 1hq4 h GLU 185 N -0.82 0.00 0.00 0.28 4.22 -1.33 -3.03 114.58 113.90 1hq4 h GLU 185 Ca -0.04 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.28 1hq4 h GLU 185 Cb 0.73 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1hq4 h GLU 185 CO -0.10 0.09 -0.55 -0.92 -2.18 0.00 0.00 179.01 175.35 1hq4 h TYR 186 N 0.00 0.00 0.00 0.92 3.20 -1.04 -3.08 116.97 116.97 1hq4 h TYR 186 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1hq4 h TYR 186 Cb 0.56 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1hq4 h TYR 186 CO 0.00 0.55 -0.55 0.39 -1.64 0.00 0.00 178.16 176.91 1hq4 n GLU 187 N -3.76 0.23 -0.03 1.82 1.02 -1.03 -3.62 120.64 115.27 1hq4 n GLU 187 Ca -0.01 0.08 0.11 0.00 -0.02 0.00 0.00 57.16 57.31 1hq4 n GLU 187 Cb 0.58 -1.66 0.53 0.00 -0.02 0.00 0.00 31.44 30.87 1hq4 n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1hq4 n ARG 188 N -2.00 1.29 -4.12 3.49 1.74 -1.16 -4.86 116.66 111.04 1hq4 n ARG 188 Ca 0.04 -0.44 -0.08 0.00 -0.77 0.00 0.00 57.85 56.60 1hq4 n ARG 188 Cb 0.42 -1.36 -0.10 0.00 -1.02 0.00 0.00 32.46 30.40 1hq4 n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1hq4 s HIS 189 N -1.93 0.68 -0.02 -1.55 3.76 -1.24 -5.10 115.29 109.90 1hq4 s HIS 189 Ca 0.32 -1.08 0.01 0.00 -0.15 0.00 0.00 55.06 54.16 1hq4 s HIS 189 Cb 0.16 -0.44 -0.02 0.00 1.11 0.00 0.00 32.58 33.38 1hq4 s HIS 189 CO 0.26 -0.37 -0.00 -1.71 -0.85 0.00 0.00 174.74 172.06 1hq4 n ASN 190 N 0.03 4.28 -4.36 1.40 5.15 -1.26 -4.83 115.26 115.66 1hq4 n ASN 190 Ca -0.11 -0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.54 1hq4 n ASN 190 Cb 0.62 0.36 -0.15 0.00 -0.53 0.00 0.00 39.78 40.08 1hq4 n ASN 190 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1hq4 s SER 191 N -3.56 3.43 -0.08 1.20 1.04 -1.26 -0.42 113.70 114.05 1hq4 s SER 191 Ca -0.02 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.06 1hq4 s SER 191 Cb 0.01 -0.69 0.01 0.00 0.10 0.00 0.00 66.02 65.45 1hq4 s SER 191 CO 0.07 0.30 -0.15 -0.31 0.98 0.00 0.00 173.24 174.13 1hq4 s TYR 192 N -0.50 1.77 -0.04 5.02 1.51 -0.68 -0.80 117.35 123.63 1hq4 s TYR 192 Ca 0.06 -0.68 0.03 0.00 -1.01 0.00 0.00 57.07 55.47 1hq4 s TYR 192 Cb -0.11 -1.25 0.01 0.00 -0.11 0.00 0.00 41.96 40.49 1hq4 s TYR 192 CO 0.01 -0.32 -0.11 0.99 -1.11 0.00 0.00 175.55 175.00 1hq4 s THR 193 N 0.59 0.99 -0.36 -0.71 2.01 -0.08 -1.90 115.64 116.18 1hq4 s THR 193 Ca -0.16 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 1hq4 s THR 193 Cb -0.16 -0.89 0.02 0.00 0.01 0.00 0.00 72.50 71.48 1hq4 s THR 193 CO 0.05 0.31 0.19 0.00 -0.69 0.00 0.00 174.62 174.48 1hq4 s GLU 195 N 1.57 3.17 -0.16 0.00 2.12 0.13 -1.53 118.70 124.00 1hq4 s GLU 195 Ca 0.03 -0.78 -0.03 0.00 0.36 0.00 0.00 54.97 54.55 1hq4 s GLU 195 Cb -0.19 -3.16 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 1hq4 s GLU 195 CO 0.07 -0.33 -0.07 0.00 -0.54 0.00 0.00 175.26 174.39 1hq4 s ALA 196 N 1.46 2.84 -0.36 6.30 0.00 0.14 -0.61 121.76 131.53 1hq4 s ALA 196 Ca 0.03 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 1hq4 s ALA 196 Cb -0.16 -1.49 0.06 0.00 0.00 0.00 0.00 23.12 21.53 1hq4 s ALA 196 CO -0.01 0.06 0.13 0.99 0.00 0.00 0.00 175.76 176.93 1hq4 s THR 197 N 0.64 3.55 0.41 0.00 2.01 -0.36 0.07 115.64 121.96 1hq4 s THR 197 Ca -0.04 -1.45 0.07 0.00 0.31 0.00 0.00 61.69 60.58 1hq4 s THR 197 Cb -0.15 -3.14 -0.07 0.00 0.01 0.00 0.00 72.50 69.15 1hq4 s THR 197 CO 0.02 -0.33 0.07 -2.28 -0.69 0.00 0.00 174.62 171.41 1hq4 s HIS 198 N 1.31 2.55 0.24 4.92 2.46 -1.26 -2.47 115.29 123.03 1hq4 s HIS 198 Ca 0.00 -0.63 0.05 0.00 0.47 0.00 0.00 55.06 54.95 1hq4 s HIS 198 Cb -0.21 -1.84 0.25 0.00 -0.13 0.00 0.00 32.58 30.65 1hq4 s HIS 198 CO 0.00 0.35 1.56 0.87 -2.47 0.00 0.00 174.74 175.05 1hq4 h LYS 199 N 1.65 0.22 0.00 2.88 1.57 -1.93 -3.25 116.57 117.71 1hq4 h LYS 199 Ca -0.44 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1hq4 h LYS 199 Cb 1.24 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1hq4 h LYS 199 CO 0.77 0.76 0.00 0.25 -0.57 0.00 0.00 179.45 180.66 1hq4 n THR 200 N -3.86 0.00 -3.55 -0.16 -2.24 -1.26 -4.66 114.28 98.55 1hq4 n THR 200 Ca -0.02 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.68 1hq4 n THR 200 Cb 0.62 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 1hq4 n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hq4 s SER 201 N -1.95 -0.29 -0.05 3.42 0.15 -1.23 -4.92 113.70 108.83 1hq4 s SER 201 Ca 0.00 0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.80 1hq4 s SER 201 Cb 0.00 0.29 -0.25 0.00 -1.71 0.00 0.00 66.02 64.35 1hq4 s SER 201 CO 0.00 -0.42 0.63 0.71 1.20 0.00 0.00 173.24 175.36 1hq4 h THR 202 N 2.15 0.86 -3.17 6.45 1.35 -1.84 -3.43 112.91 115.27 1hq4 h THR 202 Ca -0.17 -2.63 -0.58 0.00 -0.55 0.00 0.00 66.41 62.48 1hq4 h THR 202 Cb 1.20 2.52 -0.04 0.00 -1.73 0.00 0.00 68.15 70.10 1hq4 h THR 202 CO 0.28 0.69 -0.27 -0.94 -0.25 0.00 0.00 175.52 175.03 1hq4 s SER 203 N -6.56 6.55 0.35 5.36 1.04 -1.26 -5.06 113.70 114.12 1hq4 s SER 203 Ca -0.11 0.68 -0.27 0.00 0.48 0.00 0.00 55.95 56.73 1hq4 s SER 203 Cb 0.07 -2.13 -0.09 0.00 0.10 0.00 0.00 66.02 63.97 1hq4 s SER 203 CO 0.81 0.08 1.17 -2.84 0.98 0.00 0.00 173.24 173.44 1hq4 s PRO 204 N -2.44 4.28 -0.17 4.02 0.02 -1.26 -4.84 135.00 134.61 1hq4 s PRO 204 Ca 0.39 1.88 -0.24 0.00 0.02 0.00 0.00 61.00 63.05 1hq4 s PRO 204 Cb -0.13 -2.88 -0.02 0.00 0.02 0.00 0.00 34.50 31.49 1hq4 s PRO 204 CO 0.22 -0.13 0.77 0.42 -0.33 0.00 0.00 177.00 177.95 1hq4 s ILE 205 N -1.31 4.92 0.04 2.83 1.01 0.11 -4.87 121.20 123.94 1hq4 s ILE 205 Ca 0.52 1.51 0.05 0.00 0.00 0.00 0.00 60.65 62.73 1hq4 s ILE 205 Cb -0.32 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 1hq4 s ILE 205 CO 0.41 0.06 -0.15 0.68 0.00 0.00 0.00 174.94 175.94 1hq4 s VAL 206 N 2.02 1.22 0.01 2.92 -7.23 -1.26 0.29 120.40 118.37 1hq4 s VAL 206 Ca 0.36 -1.08 0.01 0.00 -1.81 0.00 0.00 61.98 59.46 1hq4 s VAL 206 Cb -0.16 -1.10 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 1hq4 s VAL 206 CO 0.12 0.01 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.34 1hq4 s LYS 207 N -1.23 0.32 0.15 4.82 3.01 -0.58 -5.00 119.74 121.23 1hq4 s LYS 207 Ca 0.02 -0.27 -0.24 0.00 -1.01 0.00 0.00 55.97 54.47 1hq4 s LYS 207 Cb -0.08 -0.23 0.06 0.00 -1.01 0.00 0.00 37.83 36.57 1hq4 s LYS 207 CO 0.02 0.06 0.80 -1.54 0.51 0.00 0.00 175.35 175.20 1hq4 s SER 208 N -0.46 -0.33 0.22 2.83 1.04 -1.26 -0.01 113.70 115.73 1hq4 s SER 208 Ca -0.02 -0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.06 1hq4 s SER 208 Cb -0.04 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 1hq4 s SER 208 CO -0.00 -0.96 0.34 0.72 0.98 0.00 0.00 173.24 174.32 1hq4 s PHE 209 N -3.50 0.65 -0.06 5.02 -0.12 -0.80 -4.99 117.98 114.18 1hq4 s PHE 209 Ca 0.08 -0.96 0.03 0.00 -0.05 0.00 0.00 56.93 56.03 1hq4 s PHE 209 Cb -0.02 -0.10 0.01 0.00 -0.63 0.00 0.00 43.02 42.28 1hq4 s PHE 209 CO -0.03 -0.85 -0.15 -0.80 -0.05 0.00 0.00 175.22 173.35 1hq4 s ASN 210 N -3.07 1.98 0.51 1.98 -0.87 -1.26 -1.69 114.94 112.52 1hq4 s ASN 210 Ca 0.28 -0.33 0.21 0.00 -1.57 0.00 0.00 52.86 51.44 1hq4 s ASN 210 Cb 0.02 -0.76 1.29 0.00 -0.02 0.00 0.00 41.25 41.79 1hq4 s ASN 210 CO 0.09 0.09 2.03 0.03 -2.57 0.00 0.00 177.10 176.78 1hq4 h ARG 211 N 6.64 0.08 0.00 -0.60 3.08 -1.06 -3.00 114.38 119.52 1hq4 h ARG 211 Ca -0.31 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1hq4 h ARG 211 Cb 1.19 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1hq4 h ARG 211 CO 0.48 0.05 0.00 0.09 -1.07 0.00 0.00 179.97 179.52 1hq4 n ASN 212 N -4.44 0.00 -4.64 7.04 5.03 -1.26 -4.24 115.26 112.75 1hq4 n ASN 212 Ca 0.06 0.21 -0.42 0.00 0.87 0.00 0.00 54.58 55.30 1hq4 n ASN 212 Cb 0.42 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.15 1hq4 n ASN 212 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1hq4 s GLU 213 N -0.42 3.79 0.00 3.52 2.02 -1.13 -5.24 118.70 121.24 1hq4 s GLU 213 Ca 0.00 2.36 0.00 0.00 0.02 0.00 0.00 54.97 57.35 1hq4 s GLU 213 Cb 0.00 -4.22 0.00 0.00 0.10 0.00 0.00 34.13 30.01 1hq4 s GLU 213 CO 0.00 -1.35 0.00 0.00 0.02 0.00 0.00 175.26 173.93