#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hq4 s VAL 2 N 0.00 4.75 -0.05 5.18 1.01 -1.26 -4.39 120.40 125.65 1hq4 s VAL 2 Ca 0.00 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 1hq4 s VAL 2 Cb 0.00 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.65 1hq4 s VAL 2 CO 0.00 0.19 0.03 -1.10 0.00 0.00 0.00 175.10 174.22 1hq4 s GLN 3 N -2.07 0.26 0.13 2.72 -1.52 0.09 -4.97 119.66 114.31 1hq4 s GLN 3 Ca 0.41 0.21 0.08 0.00 -1.95 0.00 0.00 55.36 54.11 1hq4 s GLN 3 Cb -0.15 -0.69 -0.04 0.00 -0.22 0.00 0.00 33.01 31.91 1hq4 s GLN 3 CO 0.20 -0.28 -0.08 -0.51 -0.25 0.00 0.00 175.29 174.36 1hq4 s LEU 4 N 1.87 3.07 -0.30 2.90 1.02 -1.26 -0.50 118.68 125.49 1hq4 s LEU 4 Ca 0.02 -0.44 -0.01 0.00 0.02 0.00 0.00 54.13 53.73 1hq4 s LEU 4 Cb -0.12 -1.82 0.19 0.00 0.02 0.00 0.00 46.19 44.46 1hq4 s LEU 4 CO -0.04 0.14 0.62 -1.58 0.02 0.00 0.00 176.35 175.52 1hq4 s GLN 5 N -2.49 0.55 0.93 1.70 0.74 -1.06 -4.38 119.66 115.66 1hq4 s GLN 5 Ca 0.23 0.94 -0.12 0.00 0.05 0.00 0.00 55.36 56.46 1hq4 s GLN 5 Cb -0.10 0.51 0.15 0.00 1.10 0.00 0.00 33.01 34.67 1hq4 s GLN 5 CO 0.15 -0.64 1.09 -1.21 -0.55 0.00 0.00 175.29 174.13 1hq4 s GLU 6 N 2.86 0.96 -0.28 1.67 8.01 -1.26 -2.10 118.70 128.56 1hq4 s GLU 6 Ca 0.19 0.73 -0.22 0.00 0.01 0.00 0.00 54.97 55.68 1hq4 s GLU 6 Cb -0.14 -1.78 0.13 0.00 -4.31 0.00 0.00 34.13 28.02 1hq4 s GLU 6 CO -0.21 -2.42 0.99 0.45 0.01 0.00 0.00 175.26 174.08 1hq4 s SER 7 N -3.42 -0.50 0.00 -0.19 0.15 -0.72 -4.92 113.70 104.10 1hq4 s SER 7 Ca 0.64 0.90 0.00 0.00 0.70 0.00 0.00 55.95 58.19 1hq4 s SER 7 Cb -0.18 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 1hq4 s SER 7 CO 0.57 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.47 1hq4 n GLY 8 N 2.77 1.79 0.09 9.45 0.00 -1.26 -0.81 105.19 117.21 1hq4 n GLY 8 Ca -0.15 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 1hq4 n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hq4 h PRO 9 N 0.00 -0.11 0.00 1.61 0.13 -1.93 -3.48 132.00 128.22 1hq4 h PRO 9 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1hq4 h PRO 9 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1hq4 h PRO 9 CO 0.00 0.33 0.00 0.41 -0.23 0.00 0.00 178.00 178.51 1hq4 n GLY 10 N 0.14 2.98 2.84 1.56 0.00 -1.26 -4.96 105.19 106.49 1hq4 n GLY 10 Ca -0.09 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 1hq4 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hq4 s LEU 11 N 0.00 1.22 -0.04 0.99 0.20 -1.26 -0.70 118.68 119.09 1hq4 s LEU 11 Ca 0.00 -0.06 -0.05 0.00 0.69 0.00 0.00 54.13 54.71 1hq4 s LEU 11 Cb 0.00 -0.28 0.01 0.00 -0.43 0.00 0.00 46.19 45.49 1hq4 s LEU 11 CO 0.00 -0.09 0.14 0.68 -0.29 0.00 0.00 176.35 176.79 1hq4 s VAL 12 N 0.98 0.02 0.33 1.68 -7.23 -0.56 -4.97 120.40 110.65 1hq4 s VAL 12 Ca -0.10 -0.18 -0.24 0.00 -1.81 0.00 0.00 61.98 59.65 1hq4 s VAL 12 Cb -0.14 -0.26 -0.10 0.00 0.56 0.00 0.00 36.38 36.44 1hq4 s VAL 12 CO -0.01 -0.10 0.91 -0.54 -0.31 0.00 0.00 175.10 175.05 1hq4 s LYS 13 N -0.28 4.46 0.77 4.82 1.02 -1.26 -2.35 119.74 126.91 1hq4 s LYS 13 Ca -0.04 1.21 -0.16 0.00 0.02 0.00 0.00 55.97 57.00 1hq4 s LYS 13 Cb -0.03 -2.68 -0.07 0.00 -0.52 0.00 0.00 37.83 34.53 1hq4 s LYS 13 CO 0.00 0.23 0.13 -2.30 -0.92 0.00 0.00 175.35 172.50 1hq4 n PRO 14 N 0.33 0.10 0.00 -1.68 -0.02 -1.26 -1.85 135.00 130.63 1hq4 n PRO 14 Ca 0.02 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1hq4 n PRO 14 Cb 0.51 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1hq4 n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1hq4 n SER 15 N 0.81 0.00 -2.50 2.55 3.41 0.96 -4.90 113.62 113.95 1hq4 n SER 15 Ca 0.07 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.61 1hq4 n SER 15 Cb 0.51 -1.02 0.05 0.00 -0.26 0.00 0.00 64.21 63.49 1hq4 n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hq4 n GLN 16 N -1.96 -0.23 -4.66 4.33 6.02 -0.77 -3.83 117.38 116.28 1hq4 n GLN 16 Ca 0.00 -0.54 -0.31 0.00 -0.01 0.00 0.00 57.00 56.14 1hq4 n GLN 16 Cb 0.00 -0.32 -0.12 0.00 1.02 0.00 0.00 30.24 30.82 1hq4 n GLN 16 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1hq4 s SER 17 N -2.20 3.97 -0.13 1.08 0.01 -1.26 -0.91 113.70 114.26 1hq4 s SER 17 Ca 0.19 -0.35 -0.03 0.00 1.31 0.00 0.00 55.95 57.07 1hq4 s SER 17 Cb -0.01 -0.72 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 1hq4 s SER 17 CO 0.13 0.27 -0.01 -0.22 0.41 0.00 0.00 173.24 173.82 1hq4 s LEU 18 N -1.34 3.44 -0.24 2.44 0.20 0.46 -4.97 118.68 118.67 1hq4 s LEU 18 Ca 0.15 -0.00 -0.02 0.00 0.69 0.00 0.00 54.13 54.95 1hq4 s LEU 18 Cb -0.11 -1.81 0.07 0.00 -0.43 0.00 0.00 46.19 43.91 1hq4 s LEU 18 CO 0.05 0.25 0.05 -0.44 -0.29 0.00 0.00 176.35 175.97 1hq4 s SER 19 N -0.13 3.38 0.05 3.68 0.01 -1.26 -0.71 113.70 118.72 1hq4 s SER 19 Ca 0.04 -1.12 0.02 0.00 1.31 0.00 0.00 55.95 56.19 1hq4 s SER 19 Cb -0.13 -0.74 -0.04 0.00 0.21 0.00 0.00 66.02 65.33 1hq4 s SER 19 CO 0.02 -0.33 0.06 -0.76 0.41 0.00 0.00 173.24 172.63 1hq4 s LEU 20 N 1.74 3.73 -0.12 2.44 1.43 -0.23 -4.51 118.68 123.16 1hq4 s LEU 20 Ca 0.02 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1hq4 s LEU 20 Cb -0.17 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.75 1hq4 s LEU 20 CO -0.14 0.22 -0.14 -0.89 0.23 0.00 0.00 176.35 175.62 1hq4 s THR 21 N -1.28 1.50 -0.33 5.49 2.01 0.01 -1.43 115.64 121.62 1hq4 s THR 21 Ca 0.26 -0.62 -0.09 0.00 0.31 0.00 0.00 61.69 61.55 1hq4 s THR 21 Cb -0.12 -1.39 0.01 0.00 0.01 0.00 0.00 72.50 71.00 1hq4 s THR 21 CO 0.18 0.44 0.15 0.00 -0.69 0.00 0.00 174.62 174.70 1hq4 s THR 23 N 1.56 5.16 -0.04 0.00 2.01 -0.89 -2.50 115.64 120.94 1hq4 s THR 23 Ca 0.03 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 61.93 1hq4 s THR 23 Cb -0.18 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 1hq4 s THR 23 CO 0.05 -0.12 0.32 -0.69 -0.69 0.00 0.00 174.62 173.50 1hq4 s VAL 24 N 2.03 5.18 0.00 3.82 1.01 -1.17 -2.55 120.40 128.72 1hq4 s VAL 24 Ca 0.12 0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.74 1hq4 s VAL 24 Cb -0.17 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1hq4 s VAL 24 CO 0.12 0.59 -0.02 -0.89 0.00 0.00 0.00 175.10 174.90 1hq4 s THR 25 N -1.03 0.13 0.00 3.92 2.01 0.35 -4.82 115.64 116.20 1hq4 s THR 25 Ca 0.21 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1hq4 s THR 25 Cb -0.15 -0.13 0.00 0.00 0.01 0.00 0.00 72.50 72.22 1hq4 s THR 25 CO 0.10 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.64 1hq4 n GLY 26 N 2.93 0.57 0.00 4.40 0.00 -1.26 -0.73 105.19 111.09 1hq4 n GLY 26 Ca -0.13 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1hq4 n GLY 26 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1hq4 n TYR 27 N -2.71 0.00 -3.55 1.61 4.19 -1.26 -4.56 117.16 110.88 1hq4 n TYR 27 Ca 0.00 0.00 -0.37 0.00 3.31 0.00 0.00 57.90 60.84 1hq4 n TYR 27 Cb 0.00 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 39.77 1hq4 n TYR 27 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 1hq4 s SER 28 N 0.00 6.74 0.57 2.98 0.01 -1.26 -4.95 113.70 117.80 1hq4 s SER 28 Ca 0.00 0.89 0.38 0.00 1.31 0.00 0.00 55.95 58.53 1hq4 s SER 28 Cb 0.00 -2.22 1.94 0.00 0.21 0.00 0.00 66.02 65.95 1hq4 s SER 28 CO 0.00 0.30 2.15 0.40 0.41 0.00 0.00 173.24 176.50 1hq4 h ILE 29 N 3.54 0.00 0.00 1.44 1.08 -1.91 -2.77 117.51 118.88 1hq4 h ILE 29 Ca -0.51 -0.14 -0.28 0.00 -0.39 0.00 0.00 64.86 63.53 1hq4 h ILE 29 Cb 1.21 1.06 -0.05 0.00 -3.07 0.00 0.00 36.82 35.98 1hq4 h ILE 29 CO 0.62 0.00 -1.89 0.35 -0.69 0.00 0.00 178.15 176.54 1hq4 n THR 30 N -2.93 1.39 -0.36 -0.27 -2.24 -1.26 -4.05 114.28 104.55 1hq4 n THR 30 Ca -0.02 -0.78 0.02 0.00 -2.27 0.00 0.00 64.05 61.00 1hq4 n THR 30 Cb 0.13 -0.75 0.16 0.00 -2.10 0.00 0.00 70.33 67.78 1hq4 n THR 30 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1hq4 h SER 31 N 0.00 1.01 0.00 3.42 0.02 -1.80 -3.43 113.55 112.76 1hq4 h SER 31 Ca -0.34 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1hq4 h SER 31 Cb 1.97 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.30 1hq4 h SER 31 CO 0.05 0.65 0.00 0.61 -1.14 0.00 0.00 176.83 177.00 1hq4 n GLY 32 N -1.36 -1.30 0.43 -3.77 0.00 -1.26 -5.05 105.19 92.89 1hq4 n GLY 32 Ca 0.15 -0.92 0.06 0.00 0.00 0.00 0.00 46.02 45.30 1hq4 n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1hq4 n TYR 33 N 1.24 -1.10 -5.19 1.61 4.01 -1.26 -4.48 117.16 111.99 1hq4 n TYR 33 Ca 0.00 0.56 -0.32 0.00 -0.16 0.00 0.00 57.90 57.98 1hq4 n TYR 33 Cb 0.00 -1.00 -0.16 0.00 -0.31 0.00 0.00 39.34 37.87 1hq4 n TYR 33 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1hq4 s ALA 34 N -1.67 2.24 -0.39 -0.72 0.00 -1.26 -2.30 121.76 117.66 1hq4 s ALA 34 Ca 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 1hq4 s ALA 34 Cb 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 23.12 22.41 1hq4 s ALA 34 CO 0.00 0.39 0.22 -1.58 0.00 0.00 0.00 175.76 174.79 1hq4 s TRP 35 N -0.08 3.28 0.20 0.00 0.52 0.50 -4.46 118.94 118.90 1hq4 s TRP 35 Ca -0.06 -1.26 -0.05 0.00 0.02 0.00 0.00 56.10 54.75 1hq4 s TRP 35 Cb -0.14 -2.63 -0.05 0.00 -1.15 0.00 0.00 33.47 29.49 1hq4 s TRP 35 CO 0.04 -0.75 0.44 -0.80 0.02 0.00 0.00 176.95 175.91 1hq4 s ASN 35 N 1.77 6.48 -0.19 2.95 0.01 -0.08 -1.10 114.94 124.78 1hq4 s ASN 35 Ca 0.02 0.62 -0.00 0.00 -0.71 0.00 0.00 52.86 52.79 1hq4 s ASN 35 Cb -0.21 -2.10 0.01 0.00 0.41 0.00 0.00 41.25 39.36 1hq4 s ASN 35 CO 0.04 -0.03 -0.16 0.26 -1.51 0.00 0.00 177.10 175.70 1hq4 s TRP 36 N -1.81 2.84 -0.01 2.20 0.52 -0.02 -1.00 118.94 121.66 1hq4 s TRP 36 Ca 0.42 -1.48 0.06 0.00 0.02 0.00 0.00 56.10 55.12 1hq4 s TRP 36 Cb -0.11 -1.97 -0.02 0.00 -1.15 0.00 0.00 33.47 30.22 1hq4 s TRP 36 CO 0.26 -0.74 -0.19 0.42 0.02 0.00 0.00 176.95 176.71 1hq4 s ILE 37 N 1.33 1.54 0.01 2.03 1.01 0.28 -1.21 121.20 126.20 1hq4 s ILE 37 Ca 0.05 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.91 1hq4 s ILE 37 Cb -0.14 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 1hq4 s ILE 37 CO -0.10 0.43 -0.16 0.00 0.00 0.00 0.00 174.94 175.10 1hq4 s ARG 38 N -0.48 1.22 -0.24 2.79 1.70 -0.51 0.15 118.95 123.58 1hq4 s ARG 38 Ca 0.07 -0.68 -0.02 0.00 -0.47 0.00 0.00 55.73 54.63 1hq4 s ARG 38 Cb -0.08 -1.22 0.02 0.00 -0.57 0.00 0.00 34.95 33.10 1hq4 s ARG 38 CO -0.01 0.32 -0.06 -1.14 -1.08 0.00 0.00 175.30 173.34 1hq4 s GLN 39 N -0.71 2.95 0.64 3.89 0.74 0.42 -0.76 119.66 126.84 1hq4 s GLN 39 Ca 0.05 -0.90 -0.14 0.00 0.05 0.00 0.00 55.36 54.42 1hq4 s GLN 39 Cb -0.07 -2.98 -0.01 0.00 1.10 0.00 0.00 33.01 31.05 1hq4 s GLN 39 CO 0.00 -0.35 1.07 -0.06 -0.55 0.00 0.00 175.29 175.40 1hq4 s PHE 40 N 1.36 2.92 0.05 1.67 2.99 -0.42 -1.15 117.98 125.41 1hq4 s PHE 40 Ca 0.02 1.50 -0.31 0.00 0.00 0.00 0.00 56.93 58.14 1hq4 s PHE 40 Cb -0.16 -3.01 -0.07 0.00 0.00 0.00 0.00 43.02 39.78 1hq4 s PHE 40 CO -0.05 -1.28 1.51 -1.25 -0.00 0.00 0.00 175.22 174.15 1hq4 s PRO 41 N -4.33 4.25 0.00 0.24 0.04 -1.26 -0.40 135.00 133.54 1hq4 s PRO 41 Ca 0.63 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.82 1hq4 s PRO 41 Cb -0.16 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1hq4 s PRO 41 CO 0.43 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1hq4 n GLY 42 N 3.77 1.34 3.02 0.56 0.00 -1.26 -4.73 105.19 107.89 1hq4 n GLY 42 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1hq4 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hq4 n ASN 43 N 0.00 -0.07 -4.72 1.61 3.02 0.47 -5.00 115.26 110.56 1hq4 n ASN 43 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1hq4 n ASN 43 Cb 0.00 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 1hq4 n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1hq4 s LYS 44 N -0.04 4.16 -0.16 3.52 2.36 -1.24 -4.72 119.74 123.60 1hq4 s LYS 44 Ca 0.00 2.52 -0.08 0.00 -2.55 0.00 0.00 55.97 55.86 1hq4 s LYS 44 Cb 0.00 -3.09 -0.04 0.00 -1.05 0.00 0.00 37.83 33.64 1hq4 s LYS 44 CO 0.00 -0.68 0.13 -0.51 1.55 0.00 0.00 175.35 175.84 1hq4 s LEU 45 N 0.87 4.25 -0.07 5.43 1.43 -1.26 -1.30 118.68 128.04 1hq4 s LEU 45 Ca 0.71 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 1hq4 s LEU 45 Cb -0.47 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 43.70 1hq4 s LEU 45 CO 0.34 0.29 -0.08 -0.70 0.23 0.00 0.00 176.35 176.43 1hq4 s GLU 46 N -0.30 1.33 -0.23 1.70 2.12 0.06 -5.01 118.70 118.36 1hq4 s GLU 46 Ca 0.11 -0.25 -0.26 0.00 0.36 0.00 0.00 54.97 54.93 1hq4 s GLU 46 Cb -0.12 -1.25 -0.00 0.00 0.26 0.00 0.00 34.13 33.03 1hq4 s GLU 46 CO 0.01 -0.09 0.90 -0.46 -0.54 0.00 0.00 175.26 175.08 1hq4 s TRP 47 N 1.06 3.33 -0.20 5.30 -0.00 -1.26 -1.42 118.94 125.75 1hq4 s TRP 47 Ca -0.08 1.26 -0.21 0.00 -0.00 0.00 0.00 56.10 57.08 1hq4 s TRP 47 Cb -0.14 -3.12 -0.20 0.00 -0.00 0.00 0.00 33.47 30.01 1hq4 s TRP 47 CO -0.01 -0.41 0.23 0.52 -0.00 0.00 0.00 176.95 177.28 1hq4 h MET 48 N 7.57 0.02 0.00 5.86 2.86 -1.54 -3.42 114.93 126.28 1hq4 h MET 48 Ca -0.22 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1hq4 h MET 48 Cb 1.09 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1hq4 h MET 48 CO 0.90 1.02 0.00 0.41 1.06 0.00 0.00 176.91 180.30 1hq4 n GLY 49 N 1.48 -1.77 3.46 8.32 0.00 -1.20 -0.38 105.19 115.10 1hq4 n GLY 49 Ca -0.32 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 1hq4 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1hq4 s TYR 50 N -2.18 0.16 -0.09 1.61 -0.85 -0.47 -0.84 117.35 114.69 1hq4 s TYR 50 Ca 0.00 -0.52 0.02 0.00 -0.52 0.00 0.00 57.07 56.05 1hq4 s TYR 50 Cb 0.00 0.18 0.01 0.00 0.38 0.00 0.00 41.96 42.53 1hq4 s TYR 50 CO 0.00 -0.85 -0.15 -1.50 -1.52 0.00 0.00 175.55 171.53 1hq4 s ILE 51 N -3.93 1.45 0.68 -3.49 2.07 -0.26 -2.37 121.20 115.35 1hq4 s ILE 51 Ca 0.14 -0.64 -0.11 0.00 -1.41 0.00 0.00 60.65 58.63 1hq4 s ILE 51 Cb 0.01 -1.31 -0.00 0.00 0.13 0.00 0.00 42.46 41.28 1hq4 s ILE 51 CO 0.00 0.43 1.06 -0.13 -1.91 0.00 0.00 174.94 174.39 1hq4 s ARG 52 N 0.77 3.09 0.59 3.50 0.52 -0.07 -0.37 118.95 126.99 1hq4 s ARG 52 Ca -0.11 0.76 0.36 0.00 -0.52 0.00 0.00 55.73 56.22 1hq4 s ARG 52 Cb -0.16 -2.02 1.86 0.00 0.52 0.00 0.00 34.95 35.15 1hq4 s ARG 52 CO 0.02 -0.94 2.20 0.10 0.02 0.00 0.00 175.30 176.70 1hq4 h TYR 53 N -0.59 0.00 0.00 -0.53 -0.00 -1.60 0.34 116.97 114.59 1hq4 h TYR 53 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 1hq4 h TYR 53 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.95 1hq4 h TYR 53 CO 0.60 0.04 0.00 -1.13 -0.00 0.00 0.00 178.16 177.67 1hq4 n SER 54 N -3.34 0.00 0.00 0.10 3.41 -1.26 -4.51 113.62 108.02 1hq4 n SER 54 Ca -0.02 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1hq4 n SER 54 Cb 0.17 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1hq4 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hq4 n GLY 55 N 1.13 0.87 3.91 5.00 0.00 0.12 -5.07 105.19 111.14 1hq4 n GLY 55 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1hq4 n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1hq4 s ASP 56 N -2.68 5.69 0.25 1.61 -4.77 -1.26 -4.74 116.67 110.77 1hq4 s ASP 56 Ca 0.00 0.76 0.05 0.00 -3.30 0.00 0.00 52.55 50.06 1hq4 s ASP 56 Cb 0.00 -1.79 -0.05 0.00 -1.09 0.00 0.00 42.92 39.98 1hq4 s ASP 56 CO 0.00 -1.00 -0.03 0.42 0.70 0.00 0.00 175.17 175.25 1hq4 s THR 57 N -2.97 1.30 -0.07 2.11 -4.23 -1.26 -0.89 115.64 109.63 1hq4 s THR 57 Ca 0.53 -2.07 -0.04 0.00 -1.18 0.00 0.00 61.69 58.93 1hq4 s THR 57 Cb -0.11 -2.37 0.04 0.00 1.34 0.00 0.00 72.50 71.41 1hq4 s THR 57 CO 0.45 -0.33 0.17 -0.13 -0.54 0.00 0.00 174.62 174.24 1hq4 s ARG 58 N -3.80 0.13 0.09 3.99 1.81 -1.00 -5.02 118.95 115.16 1hq4 s ARG 58 Ca 0.28 0.39 0.08 0.00 -1.72 0.00 0.00 55.73 54.77 1hq4 s ARG 58 Cb 0.05 -0.13 -0.03 0.00 -0.45 0.00 0.00 34.95 34.39 1hq4 s ARG 58 CO 0.10 -0.14 -0.22 0.71 -0.68 0.00 0.00 175.30 175.06 1hq4 s TYR 59 N 1.04 1.88 0.11 -0.53 4.12 -1.26 -1.37 117.35 121.34 1hq4 s TYR 59 Ca -0.08 -0.40 -0.31 0.00 0.02 0.00 0.00 57.07 56.30 1hq4 s TYR 59 Cb -0.10 -1.06 -0.08 0.00 -1.52 0.00 0.00 41.96 39.20 1hq4 s TYR 59 CO -0.06 0.19 1.52 1.21 0.02 0.00 0.00 175.55 178.43 1hq4 s ASN 60 N -1.70 6.69 0.22 2.29 3.84 0.49 -4.86 114.94 121.92 1hq4 s ASN 60 Ca 0.08 2.44 0.09 0.00 0.21 0.00 0.00 52.86 55.68 1hq4 s ASN 60 Cb -0.10 -2.58 0.48 0.00 -0.55 0.00 0.00 41.25 38.51 1hq4 s ASN 60 CO 0.04 -0.78 1.14 -2.65 -2.79 0.00 0.00 177.10 172.06 1hq4 n PRO 61 N 4.50 0.06 0.00 0.43 -0.02 -1.26 -0.83 135.00 137.88 1hq4 n PRO 61 Ca 0.14 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.22 1hq4 n PRO 61 Cb 0.41 -1.97 0.13 0.00 -0.02 0.00 0.00 33.50 32.05 1hq4 n PRO 61 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1hq4 n SER 62 N -1.81 2.27 -0.18 2.55 3.41 -1.26 -4.14 113.62 114.45 1hq4 n SER 62 Ca -0.01 -1.65 0.02 0.00 -0.26 0.00 0.00 58.87 56.97 1hq4 n SER 62 Cb 0.28 0.20 0.04 0.00 -0.26 0.00 0.00 64.21 64.47 1hq4 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1hq4 n LEU 63 N 0.49 1.92 -4.67 1.04 4.77 -0.01 -5.03 117.00 115.52 1hq4 n LEU 63 Ca 0.13 -1.63 -0.33 0.00 -0.03 0.00 0.00 56.01 54.15 1hq4 n LEU 63 Cb 0.50 -0.05 0.13 0.00 -2.33 0.00 0.00 43.42 41.68 1hq4 n LEU 63 CO 0.21 0.47 0.70 2.29 -1.33 0.00 0.00 177.39 179.73 1hq4 n LYS 64 N -0.04 0.03 0.00 3.23 -0.00 -1.21 -1.47 118.16 118.71 1hq4 n LYS 64 Ca 0.03 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1hq4 n LYS 64 Cb 0.22 -2.39 0.00 0.00 -0.00 0.00 0.00 35.03 32.87 1hq4 n LYS 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1hq4 n SER 65 N -3.31 0.00 -0.01 -5.58 3.41 -1.26 -4.48 113.62 102.39 1hq4 n SER 65 Ca 0.13 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.75 1hq4 n SER 65 Cb 0.51 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 1hq4 n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1hq4 n ARG 66 N -1.63 0.83 -3.92 4.33 1.74 -1.07 -4.97 116.66 111.96 1hq4 n ARG 66 Ca 0.00 -0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.73 1hq4 n ARG 66 Cb 0.00 -1.13 -0.04 0.00 -1.02 0.00 0.00 32.46 30.27 1hq4 n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1hq4 s ILE 67 N -2.31 5.39 -0.28 0.55 2.07 -0.54 -2.14 121.20 123.94 1hq4 s ILE 67 Ca -0.02 -0.33 0.00 0.00 -1.41 0.00 0.00 60.65 58.89 1hq4 s ILE 67 Cb 0.03 -3.60 0.16 0.00 0.13 0.00 0.00 42.46 39.18 1hq4 s ILE 67 CO 0.21 0.19 0.46 -0.55 -1.91 0.00 0.00 174.94 173.35 1hq4 s SER 68 N -2.35 -0.27 -0.18 4.50 0.15 -0.75 -4.94 113.70 109.86 1hq4 s SER 68 Ca 0.33 0.16 -0.13 0.00 0.70 0.00 0.00 55.95 57.01 1hq4 s SER 68 Cb -0.13 1.44 -0.05 0.00 -1.71 0.00 0.00 66.02 65.57 1hq4 s SER 68 CO 0.25 -0.31 0.26 -0.63 1.20 0.00 0.00 173.24 174.02 1hq4 s ILE 69 N 2.64 5.32 0.33 6.45 1.01 -1.26 -2.17 121.20 133.52 1hq4 s ILE 69 Ca 0.13 0.46 0.08 0.00 0.00 0.00 0.00 60.65 61.32 1hq4 s ILE 69 Cb -0.14 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1hq4 s ILE 69 CO -0.23 0.38 0.28 0.35 0.00 0.00 0.00 174.94 175.72 1hq4 n THR 70 N 3.72 0.00 -3.98 2.92 -2.24 -1.06 -4.97 114.28 108.66 1hq4 n THR 70 Ca -0.13 -2.42 -0.11 0.00 -2.27 0.00 0.00 64.05 59.13 1hq4 n THR 70 Cb 0.52 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.92 1hq4 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hq4 s ARG 71 N -3.34 1.83 -0.32 -0.78 1.70 -1.26 0.07 118.95 116.85 1hq4 s ARG 71 Ca 0.40 -1.46 -0.02 0.00 -0.47 0.00 0.00 55.73 54.18 1hq4 s ARG 71 Cb 0.02 0.50 0.12 0.00 -0.57 0.00 0.00 34.95 35.02 1hq4 s ARG 71 CO 0.28 -0.79 0.18 0.34 -1.08 0.00 0.00 175.30 174.23 1hq4 s ASP 72 N -3.10 3.17 0.59 -2.89 -1.08 -0.38 -4.97 116.67 108.01 1hq4 s ASP 72 Ca 0.23 -1.76 0.29 0.00 -0.52 0.00 0.00 52.55 50.79 1hq4 s ASP 72 Cb -0.02 -0.35 1.72 0.00 -1.46 0.00 0.00 42.92 42.82 1hq4 s ASP 72 CO 0.13 -0.37 2.17 0.71 0.52 0.00 0.00 175.17 178.34 1hq4 h THR 73 N 5.65 0.51 -0.02 1.71 1.35 -1.96 1.03 112.91 121.17 1hq4 h THR 73 Ca -0.06 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.62 1hq4 h THR 73 Cb 0.99 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 1hq4 h THR 73 CO 0.34 0.00 -0.80 -1.28 -0.25 0.00 0.00 175.52 173.53 1hq4 h SER 74 N 0.00 0.28 0.49 5.36 0.87 -1.96 -3.21 113.55 115.37 1hq4 h SER 74 Ca 0.05 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.32 1hq4 h SER 74 Cb 0.26 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1hq4 h SER 74 CO -0.00 0.97 -1.58 0.29 -0.53 0.00 0.00 176.83 175.97 1hq4 n LYS 75 N -3.73 0.64 -2.65 2.24 4.76 -0.29 -5.02 118.16 114.11 1hq4 n LYS 75 Ca -0.03 0.03 -0.06 0.00 -2.87 0.00 0.00 58.31 55.38 1hq4 n LYS 75 Cb 0.75 -1.69 0.03 0.00 -1.84 0.00 0.00 35.03 32.28 1hq4 n LYS 75 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1hq4 n ASN 76 N -2.60 -5.58 -3.64 4.39 4.05 0.34 -4.90 115.26 107.32 1hq4 n ASN 76 Ca -0.07 -0.29 -0.10 0.00 0.45 0.00 0.00 54.58 54.57 1hq4 n ASN 76 Cb 0.69 -3.86 -0.07 0.00 1.23 0.00 0.00 39.78 37.77 1hq4 n ASN 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1hq4 s GLN 77 N -3.53 0.58 0.44 1.20 -2.07 -1.15 -3.03 119.66 112.11 1hq4 s GLN 77 Ca 0.17 0.72 0.08 0.00 -1.82 0.00 0.00 55.36 54.51 1hq4 s GLN 77 Cb -0.02 0.27 0.00 0.00 -1.09 0.00 0.00 33.01 32.17 1hq4 s GLN 77 CO 0.51 -0.07 0.48 -0.59 -1.32 0.00 0.00 175.29 174.30 1hq4 s PHE 78 N 0.39 2.53 0.17 9.60 -0.00 -1.04 -1.24 117.98 128.38 1hq4 s PHE 78 Ca 0.01 -0.51 0.01 0.00 -0.00 0.00 0.00 56.93 56.43 1hq4 s PHE 78 Cb -0.05 -2.22 -0.04 0.00 -0.00 0.00 0.00 43.02 40.71 1hq4 s PHE 78 CO -0.06 -0.34 0.04 -0.06 -0.00 0.00 0.00 175.22 174.81 1hq4 s PHE 79 N -2.48 1.13 -0.03 3.49 0.40 0.11 -1.59 117.98 119.01 1hq4 s PHE 79 Ca 0.50 -1.12 0.03 0.00 -0.60 0.00 0.00 56.93 55.74 1hq4 s PHE 79 Cb -0.05 -0.64 0.00 0.00 0.51 0.00 0.00 43.02 42.84 1hq4 s PHE 79 CO 0.30 -0.34 -0.12 -1.17 0.70 0.00 0.00 175.22 174.58 1hq4 s LEU 80 N -3.15 1.84 -0.10 -0.37 2.96 -0.51 -2.57 118.68 116.78 1hq4 s LEU 80 Ca 0.26 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1hq4 s LEU 80 Cb 0.07 -0.71 0.03 0.00 0.50 0.00 0.00 46.19 46.08 1hq4 s LEU 80 CO 0.05 0.10 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.56 1hq4 s GLN 81 N 0.11 1.08 -0.14 1.98 0.74 -0.92 -1.07 119.66 121.44 1hq4 s GLN 81 Ca -0.03 -0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.25 1hq4 s GLN 81 Cb -0.09 -1.39 0.02 0.00 1.10 0.00 0.00 33.01 32.65 1hq4 s GLN 81 CO 0.01 -0.32 -0.13 -1.17 -0.55 0.00 0.00 175.29 173.14 1hq4 s LEU 82 N 1.82 1.57 0.26 3.68 2.96 0.11 -1.80 118.68 127.28 1hq4 s LEU 82 Ca 0.04 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 1hq4 s LEU 82 Cb -0.13 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 1hq4 s LEU 82 CO -0.07 -0.07 0.12 0.54 -1.32 0.00 0.00 176.35 175.56 1hq4 s ASN 82 N 1.52 5.13 -1.05 3.68 6.03 -0.91 0.17 114.94 129.52 1hq4 s ASN 82 Ca 0.05 -0.42 -0.00 0.00 -1.03 0.00 0.00 52.86 51.46 1hq4 s ASN 82 Cb -0.13 -1.17 0.00 0.00 -3.03 0.00 0.00 41.25 36.93 1hq4 s ASN 82 CO -0.10 -0.04 0.87 -0.24 -2.03 0.00 0.00 177.10 175.56 1hq4 n SER 82 N -1.08 -2.05 -4.75 3.54 2.88 -0.09 -4.85 113.62 107.22 1hq4 n SER 82 Ca -0.07 -0.54 -0.41 0.00 -1.33 0.00 0.00 58.87 56.53 1hq4 n SER 82 Cb 0.58 -4.53 -0.05 0.00 -0.75 0.00 0.00 64.21 59.47 1hq4 n SER 82 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1hq4 s VAL 82 N -3.31 3.91 0.36 2.46 -7.23 -0.44 -4.67 120.40 111.47 1hq4 s VAL 82 Ca 0.00 1.78 0.03 0.00 -1.81 0.00 0.00 61.98 61.99 1hq4 s VAL 82 Cb -0.00 -4.13 0.03 0.00 0.56 0.00 0.00 36.38 32.84 1hq4 s VAL 82 CO 0.64 0.37 0.29 0.35 -0.31 0.00 0.00 175.10 176.43 1hq4 n THR 83 N 1.86 0.00 0.18 5.32 -2.24 -1.26 -0.03 114.28 118.11 1hq4 n THR 83 Ca 0.00 -1.40 0.02 0.00 -2.27 0.00 0.00 64.05 60.41 1hq4 n THR 83 Cb 0.46 -0.24 0.34 0.00 -2.10 0.00 0.00 70.33 68.79 1hq4 n THR 83 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1hq4 h THR 84 N 0.56 1.25 -0.04 4.28 1.35 -1.98 -2.51 112.91 115.81 1hq4 h THR 84 Ca -0.22 -1.41 0.01 0.00 -0.55 0.00 0.00 66.41 64.24 1hq4 h THR 84 Cb 0.82 1.77 -0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1hq4 h THR 84 CO 0.34 0.40 0.14 -0.33 -0.25 0.00 0.00 175.52 175.82 1hq4 h GLU 85 N 0.00 0.00 -0.22 4.72 3.07 -1.95 -0.49 114.58 119.71 1hq4 h GLU 85 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1hq4 h GLU 85 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1hq4 h GLU 85 CO 0.05 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.41 1hq4 n ASP 86 N -3.25 1.16 -4.71 1.42 8.00 -0.94 -4.83 116.55 113.39 1hq4 n ASP 86 Ca -0.02 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.06 1hq4 n ASP 86 Cb 0.22 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 1hq4 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1hq4 s THR 87 N -1.71 4.46 -1.07 -3.53 2.01 -0.20 -4.83 115.64 110.78 1hq4 s THR 87 Ca 0.14 1.76 0.00 0.00 0.31 0.00 0.00 61.69 63.91 1hq4 s THR 87 Cb 0.08 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.46 1hq4 s THR 87 CO 0.10 0.14 0.00 0.00 -0.69 0.00 0.00 174.62 174.16 1hq4 n ALA 88 N 3.93 0.00 -2.77 7.40 0.00 -0.54 -4.51 120.51 124.03 1hq4 n ALA 88 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.15 1hq4 n ALA 88 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 1hq4 n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hq4 s THR 89 N -2.30 4.98 -0.21 0.00 2.01 -0.30 -0.43 115.64 119.39 1hq4 s THR 89 Ca 0.00 0.05 -0.09 0.00 0.31 0.00 0.00 61.69 61.96 1hq4 s THR 89 Cb 0.00 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 1hq4 s THR 89 CO 0.00 0.33 0.12 -0.31 -0.69 0.00 0.00 174.62 174.07 1hq4 s TYR 90 N 1.32 3.32 0.12 4.92 1.51 0.15 -0.43 117.35 128.25 1hq4 s TYR 90 Ca 0.06 0.18 0.09 0.00 -1.01 0.00 0.00 57.07 56.40 1hq4 s TYR 90 Cb -0.15 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.49 1hq4 s TYR 90 CO 0.06 0.14 -0.24 0.71 -1.11 0.00 0.00 175.55 175.11 1hq4 s TYR 91 N 0.66 2.02 0.01 2.71 1.51 0.39 -1.64 117.35 123.01 1hq4 s TYR 91 Ca 0.06 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.79 1hq4 s TYR 91 Cb -0.12 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.60 1hq4 s TYR 91 CO 0.01 0.27 -0.19 0.00 -1.11 0.00 0.00 175.55 174.53 1hq4 s ALA 93 N -0.81 -1.72 0.16 0.00 0.00 -0.17 -2.26 121.76 116.95 1hq4 s ALA 93 Ca 0.13 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1hq4 s ALA 93 Cb -0.10 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 1hq4 s ALA 93 CO 0.03 -0.65 0.04 0.96 0.00 0.00 0.00 175.76 176.13 1hq4 s ILE 94 N -2.98 0.40 0.00 0.00 -4.36 -0.98 -0.90 121.20 112.38 1hq4 s ILE 94 Ca 0.00 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 1hq4 s ILE 94 Cb -0.01 -2.13 0.00 0.00 1.25 0.00 0.00 42.46 41.57 1hq4 s ILE 94 CO -0.07 -0.42 0.00 0.61 0.24 0.00 0.00 174.94 175.29 1hq4 n GLY 95 N -0.19 3.84 3.26 6.27 0.00 -1.26 -0.48 105.19 116.63 1hq4 n GLY 95 Ca -0.05 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 1hq4 n GLY 95 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hq4 s TYR 96 N -0.95 -0.37 0.00 1.61 5.04 -0.58 -4.91 117.35 117.19 1hq4 s TYR 96 Ca 0.00 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 1hq4 s TYR 96 Cb 0.00 0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.45 1hq4 s TYR 96 CO 0.00 -0.24 0.00 0.41 -1.34 0.00 0.00 175.55 174.38 1hq4 n GLY 97 N 2.53 0.97 0.86 8.97 0.00 -1.26 -3.46 105.19 113.80 1hq4 n GLY 97 Ca -0.15 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1hq4 n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hq4 n ASN 98 N 1.53 1.58 -3.61 1.61 2.04 -1.26 -4.79 115.26 112.36 1hq4 n ASN 98 Ca 0.00 -1.30 -0.07 0.00 -0.44 0.00 0.00 54.58 52.77 1hq4 n ASN 98 Cb 0.00 -0.33 -0.02 0.00 -2.53 0.00 0.00 39.78 36.91 1hq4 n ASN 98 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1hq4 s SER 99 N 0.61 -0.30 0.33 0.53 1.04 -1.22 -5.17 113.70 109.51 1hq4 s SER 99 Ca 0.00 -0.18 -0.18 0.00 0.48 0.00 0.00 55.95 56.08 1hq4 s SER 99 Cb 0.00 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.63 1hq4 s SER 99 CO 0.00 -0.77 0.86 1.51 0.98 0.00 0.00 173.24 175.82 1hq4 s ASP 101 N -2.69 0.00 -0.13 7.02 1.47 -1.26 -1.52 116.67 119.55 1hq4 s ASP 101 Ca 0.08 -1.01 -0.07 0.00 1.18 0.00 0.00 52.55 52.73 1hq4 s ASP 101 Cb -0.01 0.75 0.05 0.00 -0.34 0.00 0.00 42.92 43.37 1hq4 s ASP 101 CO -0.04 -1.49 0.31 -0.31 0.68 0.00 0.00 175.17 174.31 1hq4 s TYR 102 N -2.29 -0.43 0.22 2.11 2.02 0.37 -4.94 117.35 114.40 1hq4 s TYR 102 Ca 0.17 0.98 0.08 0.00 -0.37 0.00 0.00 57.07 57.93 1hq4 s TYR 102 Cb -0.04 0.13 -0.05 0.00 -0.40 0.00 0.00 41.96 41.60 1hq4 s TYR 102 CO 0.10 -0.28 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.07 1hq4 s TRP 103 N 1.33 1.80 0.56 2.71 0.52 -1.26 -2.30 118.94 122.30 1hq4 s TRP 103 Ca -0.09 -0.53 -0.03 0.00 0.02 0.00 0.00 56.10 55.47 1hq4 s TRP 103 Cb -0.10 -0.83 0.02 0.00 -1.15 0.00 0.00 33.47 31.42 1hq4 s TRP 103 CO -0.10 0.42 0.83 0.20 0.02 0.00 0.00 176.95 178.32 1hq4 s GLY 104 N -3.35 1.65 0.48 0.98 0.00 -0.96 -4.53 107.32 101.59 1hq4 s GLY 104 Ca 0.24 -0.96 0.15 0.00 0.00 0.00 0.00 44.72 44.14 1hq4 s GLY 104 CO 0.08 -0.69 2.07 0.06 0.00 0.00 0.00 173.10 174.62 1hq4 h GLN 105 N -0.03 0.21 0.00 2.90 -0.00 -1.94 -3.46 115.11 112.80 1hq4 h GLN 105 Ca -0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 1hq4 h GLN 105 Cb 1.27 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 28.70 1hq4 h GLN 105 CO 0.58 0.14 0.00 0.41 -0.00 0.00 0.00 178.83 179.96 1hq4 n GLY 106 N -1.53 2.72 2.85 0.06 0.00 -1.26 -5.07 105.19 102.96 1hq4 n GLY 106 Ca 0.03 -1.76 -0.19 0.00 0.00 0.00 0.00 46.02 44.10 1hq4 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1hq4 s THR 107 N -2.08 0.37 -0.10 2.61 -1.32 -0.65 -4.86 115.64 109.61 1hq4 s THR 107 Ca 0.00 -0.02 -0.24 0.00 -1.21 0.00 0.00 61.69 60.23 1hq4 s THR 107 Cb 0.00 -0.44 -0.03 0.00 -1.51 0.00 0.00 72.50 70.52 1hq4 s THR 107 CO 0.00 0.19 0.73 -0.22 -2.21 0.00 0.00 174.62 173.11 1hq4 s LEU 108 N 1.04 4.27 -0.13 9.08 1.98 -1.26 0.33 118.68 134.00 1hq4 s LEU 108 Ca -0.09 1.16 0.01 0.00 -2.89 0.00 0.00 54.13 52.31 1hq4 s LEU 108 Cb -0.14 -3.10 0.02 0.00 0.66 0.00 0.00 46.19 43.63 1hq4 s LEU 108 CO -0.01 -0.20 -0.14 -0.69 -1.89 0.00 0.00 176.35 173.43 1hq4 s VAL 109 N 1.21 1.47 -0.17 1.68 1.01 0.43 -4.23 120.40 121.80 1hq4 s VAL 109 Ca 0.37 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 1hq4 s VAL 109 Cb -0.17 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1hq4 s VAL 109 CO 0.16 0.44 0.01 -0.89 0.00 0.00 0.00 175.10 174.83 1hq4 s THR 110 N 1.30 4.31 -0.63 3.92 2.01 0.12 -1.46 115.64 125.21 1hq4 s THR 110 Ca 0.00 -0.21 -0.07 0.00 0.31 0.00 0.00 61.69 61.72 1hq4 s THR 110 Cb -0.14 -2.92 0.16 0.00 0.01 0.00 0.00 72.50 69.61 1hq4 s THR 110 CO -0.07 0.47 0.49 -0.69 -0.69 0.00 0.00 174.62 174.13 1hq4 s VAL 111 N 0.47 4.31 0.01 3.82 1.01 -1.26 -1.50 120.40 127.27 1hq4 s VAL 111 Ca -0.00 -2.48 -0.09 0.00 0.00 0.00 0.00 61.98 59.40 1hq4 s VAL 111 Cb -0.13 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1hq4 s VAL 111 CO 0.02 -0.88 0.18 -0.55 0.00 0.00 0.00 175.10 173.87 1hq4 s SER 112 N 1.65 0.00 0.42 3.32 0.15 -0.99 -4.26 113.70 113.99 1hq4 s SER 112 Ca 0.14 -0.24 0.23 0.00 0.70 0.00 0.00 55.95 56.78 1hq4 s SER 112 Cb -0.19 0.25 0.33 0.00 -1.71 0.00 0.00 66.02 64.69 1hq4 s SER 112 CO -0.04 -0.46 1.57 0.00 1.20 0.00 0.00 173.24 175.52 1hq4 h ALA 113 N 3.89 0.96 -2.28 5.45 0.00 -1.96 -3.37 119.26 121.95 1hq4 h ALA 113 Ca -0.31 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.01 1hq4 h ALA 113 Cb 1.19 0.00 0.12 0.00 0.00 0.00 0.00 17.79 19.10 1hq4 h ALA 113 CO 0.44 0.00 0.25 0.00 0.00 0.00 0.00 179.25 179.94 1hq4 n ALA 114 N -2.10 0.37 -1.81 0.00 0.00 -1.26 -4.96 120.51 110.75 1hq4 n ALA 114 Ca 0.04 0.33 -0.33 0.00 0.00 0.00 0.00 53.44 53.48 1hq4 n ALA 114 Cb 0.53 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.83 1hq4 n ALA 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1hq4 s LYS 115 N -1.79 3.97 0.24 0.00 2.20 -1.26 -5.01 119.74 118.09 1hq4 s LYS 115 Ca 0.59 1.08 -0.30 0.00 -0.36 0.00 0.00 55.97 56.98 1hq4 s LYS 115 Cb -0.62 -2.14 -0.09 0.00 -1.51 0.00 0.00 37.83 33.47 1hq4 s LYS 115 CO 0.60 -0.26 1.32 0.99 -0.36 0.00 0.00 175.35 177.64 1hq4 s THR 116 N -2.38 3.02 -0.06 3.43 2.01 -1.26 -4.76 115.64 115.63 1hq4 s THR 116 Ca 0.61 0.88 -0.03 0.00 0.31 0.00 0.00 61.69 63.47 1hq4 s THR 116 Cb -0.11 -3.56 0.04 0.00 0.01 0.00 0.00 72.50 68.88 1hq4 s THR 116 CO 0.24 0.15 0.11 -0.89 -0.69 0.00 0.00 174.62 173.55 1hq4 s THR 117 N -0.24 -0.18 1.08 -0.82 2.01 0.49 -4.97 115.64 113.00 1hq4 s THR 117 Ca 0.55 0.37 -0.13 0.00 0.31 0.00 0.00 61.69 62.79 1hq4 s THR 117 Cb -0.38 -0.22 0.23 0.00 0.01 0.00 0.00 72.50 72.14 1hq4 s THR 117 CO 0.42 0.15 1.06 -2.16 -0.69 0.00 0.00 174.62 173.41 1hq4 s PRO 118 N 2.11 -0.21 0.34 4.92 0.04 -1.26 -1.15 135.00 139.79 1hq4 s PRO 118 Ca 0.02 0.65 -0.00 0.00 0.04 0.00 0.00 61.00 61.72 1hq4 s PRO 118 Cb -0.12 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 1hq4 s PRO 118 CO -0.05 -3.20 0.55 -1.25 0.04 0.00 0.00 177.00 173.09 1hq4 s PRO 119 N -4.74 3.50 -0.21 0.56 0.04 -1.26 -3.78 135.00 129.11 1hq4 s PRO 119 Ca 0.67 -0.30 -0.05 0.00 0.04 0.00 0.00 61.00 61.36 1hq4 s PRO 119 Cb -0.21 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.64 1hq4 s PRO 119 CO 0.61 0.15 0.01 -1.12 0.04 0.00 0.00 177.00 176.69 1hq4 s SER 120 N -3.95 4.87 -0.20 6.66 0.01 -0.35 -4.93 113.70 115.80 1hq4 s SER 120 Ca 0.40 -0.20 -0.05 0.00 1.31 0.00 0.00 55.95 57.41 1hq4 s SER 120 Cb -0.10 -1.84 -0.02 0.00 0.21 0.00 0.00 66.02 64.27 1hq4 s SER 120 CO 0.36 0.05 -0.01 -0.69 0.41 0.00 0.00 173.24 173.37 1hq4 s VAL 121 N 1.06 3.92 -0.06 3.43 1.01 -1.26 -1.09 120.40 127.41 1hq4 s VAL 121 Ca 0.02 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1hq4 s VAL 121 Cb -0.14 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 1hq4 s VAL 121 CO 0.02 0.43 -0.21 -0.31 0.00 0.00 0.00 175.10 175.03 1hq4 s TYR 122 N 0.97 2.12 0.47 5.22 2.02 0.34 -4.98 117.35 123.52 1hq4 s TYR 122 Ca 0.01 -0.70 -0.22 0.00 -0.37 0.00 0.00 57.07 55.80 1hq4 s TYR 122 Cb -0.14 -1.42 -0.07 0.00 -0.40 0.00 0.00 41.96 39.92 1hq4 s TYR 122 CO 0.02 -0.25 1.14 -2.14 -1.57 0.00 0.00 175.55 172.74 1hq4 s PRO 123 N 0.09 3.71 -0.51 -1.71 0.02 -1.26 -1.46 135.00 133.89 1hq4 s PRO 123 Ca -0.08 1.68 0.03 0.00 0.02 0.00 0.00 61.00 62.66 1hq4 s PRO 123 Cb -0.14 -2.31 0.15 0.00 0.02 0.00 0.00 34.50 32.22 1hq4 s PRO 123 CO 0.04 -0.57 0.32 -0.51 -0.33 0.00 0.00 177.00 175.96 1hq4 s LEU 124 N -3.19 3.12 0.48 -5.54 1.43 -0.69 -4.88 118.68 109.41 1hq4 s LEU 124 Ca 0.65 -3.04 -0.05 0.00 -1.03 0.00 0.00 54.13 50.66 1hq4 s LEU 124 Cb -0.26 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1hq4 s LEU 124 CO 0.31 -0.20 0.79 0.00 0.23 0.00 0.00 176.35 177.48 1hq4 s ALA 125 N -0.20 3.40 0.64 4.21 0.00 -1.26 -2.30 121.76 126.24 1hq4 s ALA 125 Ca 0.22 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.56 1hq4 s ALA 125 Cb -0.14 -2.59 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 1hq4 s ALA 125 CO -0.08 -0.35 1.04 -1.25 0.00 0.00 0.00 175.76 175.13 1hq4 s PRO 126 N -4.74 3.29 0.44 0.00 0.04 -1.26 -4.99 135.00 127.78 1hq4 s PRO 126 Ca 0.47 0.96 -0.23 0.00 0.04 0.00 0.00 61.00 62.24 1hq4 s PRO 126 Cb -0.10 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 1hq4 s PRO 126 CO 0.45 -0.82 0.94 0.41 0.04 0.00 0.00 177.00 178.03 1hq4 n GLY 127 N -1.92 -0.39 3.68 0.56 0.00 -1.26 -4.58 105.19 101.27 1hq4 n GLY 127 Ca 0.07 0.10 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 1hq4 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hq4 n GLY 129 N 4.26 -0.95 0.00 0.00 0.00 -1.26 -4.89 105.19 102.34 1hq4 n GLY 129 Ca 0.21 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1hq4 n GLY 129 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hq4 n ASP 130 N 1.61 0.00 -3.68 1.61 5.68 -1.25 -5.11 116.55 115.40 1hq4 n ASP 130 Ca -0.03 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 53.96 1hq4 n ASP 130 Cb 0.30 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.13 1hq4 n ASP 130 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1hq4 s THR 131 N 0.00 0.60 -0.16 2.12 -4.23 -1.26 -4.95 115.64 107.75 1hq4 s THR 131 Ca 0.00 -1.19 0.13 0.00 -1.18 0.00 0.00 61.69 59.44 1hq4 s THR 131 Cb 0.00 -1.46 0.30 0.00 1.34 0.00 0.00 72.50 72.69 1hq4 s THR 131 CO 0.00 -0.68 1.23 0.41 -0.54 0.00 0.00 174.62 175.04 1hq4 n THR 132 N 4.97 0.23 0.00 3.99 -1.04 -1.26 -5.02 114.28 116.14 1hq4 n THR 132 Ca -0.03 -1.03 0.00 0.00 -2.04 0.00 0.00 64.05 60.95 1hq4 n THR 132 Cb 0.42 0.90 0.00 0.00 -1.82 0.00 0.00 70.33 69.83 1hq4 n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hq4 n GLY 133 N -0.55 -1.45 0.09 3.41 0.00 -1.26 -4.92 105.19 100.50 1hq4 n GLY 133 Ca -0.13 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 44.95 1hq4 n GLY 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hq4 n SER 134 N 0.00 0.61 -3.99 1.61 3.41 -1.26 -4.74 113.62 109.26 1hq4 n SER 134 Ca 0.00 0.27 -0.17 0.00 -0.26 0.00 0.00 58.87 58.71 1hq4 n SER 134 Cb 0.00 0.44 -0.14 0.00 -0.26 0.00 0.00 64.21 64.25 1hq4 n SER 134 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1hq4 s SER 135 N -5.68 0.82 0.19 4.04 1.04 -1.26 -1.43 113.70 111.42 1hq4 s SER 135 Ca -0.05 -0.14 0.05 0.00 0.48 0.00 0.00 55.95 56.29 1hq4 s SER 135 Cb 0.08 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 1hq4 s SER 135 CO 0.83 0.08 0.19 -0.69 0.98 0.00 0.00 173.24 174.63 1hq4 s VAL 136 N -0.20 4.65 -0.17 5.02 1.01 0.83 -4.77 120.40 126.76 1hq4 s VAL 136 Ca 0.02 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 1hq4 s VAL 136 Cb -0.03 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.97 1hq4 s VAL 136 CO -0.00 -0.19 -0.01 -0.89 0.00 0.00 0.00 175.10 174.00 1hq4 s THR 137 N -1.88 0.86 0.55 3.92 2.01 -1.26 -1.49 115.64 118.34 1hq4 s THR 137 Ca 0.32 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.77 1hq4 s THR 137 Cb -0.09 -1.17 0.05 0.00 0.01 0.00 0.00 72.50 71.30 1hq4 s THR 137 CO 0.25 -0.02 0.76 -0.76 -0.69 0.00 0.00 174.62 174.16 1hq4 s LEU 138 N 1.73 3.30 0.29 4.42 2.01 0.17 -4.63 118.68 125.97 1hq4 s LEU 138 Ca -0.00 -0.33 -0.18 0.00 0.01 0.00 0.00 54.13 53.62 1hq4 s LEU 138 Cb -0.16 -2.45 0.02 0.00 0.01 0.00 0.00 46.19 43.61 1hq4 s LEU 138 CO -0.07 -1.19 0.68 -0.83 1.01 0.00 0.00 176.35 175.95 1hq4 s GLY 139 N -4.50 0.12 -0.08 -3.19 0.00 -0.97 -0.98 107.32 97.71 1hq4 s GLY 139 Ca 0.59 -0.50 -0.07 0.00 0.00 0.00 0.00 44.72 44.74 1hq4 s GLY 139 CO 0.38 -0.24 0.21 0.00 0.00 0.00 0.00 173.10 173.46 1hq4 s LEU 141 N 0.33 1.69 -0.22 0.00 2.96 -0.53 -1.55 118.68 121.37 1hq4 s LEU 141 Ca -0.02 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 1hq4 s LEU 141 Cb -0.03 -1.17 -0.01 0.00 0.50 0.00 0.00 46.19 45.48 1hq4 s LEU 141 CO -0.01 -0.04 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.24 1hq4 s VAL 142 N 1.40 3.39 0.08 1.68 1.01 0.18 -0.50 120.40 127.64 1hq4 s VAL 142 Ca 0.03 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 1hq4 s VAL 142 Cb -0.13 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1hq4 s VAL 142 CO -0.09 0.42 0.20 -1.59 0.00 0.00 0.00 175.10 174.04 1hq4 s LYS 143 N 1.44 0.82 0.00 2.72 -2.85 -0.25 -0.67 119.74 120.95 1hq4 s LYS 143 Ca 0.05 -0.86 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 1hq4 s LYS 143 Cb -0.14 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1hq4 s LYS 143 CO -0.03 -0.26 0.00 0.41 0.10 0.00 0.00 175.35 175.57 1hq4 n GLY 144 N 0.12 0.77 3.93 0.59 0.00 -0.55 -1.22 105.19 108.83 1hq4 n GLY 144 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1hq4 n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1hq4 s TYR 145 N -2.95 3.26 -0.29 1.61 1.13 -1.17 -4.66 117.35 114.28 1hq4 s TYR 145 Ca 0.00 0.52 -0.27 0.00 -1.41 0.00 0.00 57.07 55.91 1hq4 s TYR 145 Cb 0.00 -2.58 0.19 0.00 -1.10 0.00 0.00 41.96 38.47 1hq4 s TYR 145 CO 0.00 -0.65 1.38 0.12 -2.51 0.00 0.00 175.55 173.90 1hq4 s PHE 146 N -2.84 -0.07 0.99 -3.49 2.19 -0.30 -0.37 117.98 114.09 1hq4 s PHE 146 Ca 0.52 0.15 -0.16 0.00 0.33 0.00 0.00 56.93 57.77 1hq4 s PHE 146 Cb -0.10 0.48 0.21 0.00 -1.31 0.00 0.00 43.02 42.30 1hq4 s PHE 146 CO 0.43 -0.05 1.31 -1.25 1.83 0.00 0.00 175.22 177.49 1hq4 s PRO 147 N -0.43 0.43 0.87 10.12 0.04 -1.26 -0.38 135.00 144.40 1hq4 s PRO 147 Ca 0.08 -0.39 -0.11 0.00 0.04 0.00 0.00 61.00 60.62 1hq4 s PRO 147 Cb -0.03 -1.82 0.12 0.00 0.04 0.00 0.00 34.50 32.81 1hq4 s PRO 147 CO -0.12 -2.56 1.16 -1.21 0.04 0.00 0.00 177.00 174.31 1hq4 s GLU 148 N -5.85 1.29 0.00 4.56 0.41 -1.26 -4.82 118.70 113.02 1hq4 s GLU 148 Ca 0.74 1.57 0.00 0.00 -0.41 0.00 0.00 54.97 56.87 1hq4 s GLU 148 Cb -0.04 -1.76 0.00 0.00 -1.78 0.00 0.00 34.13 30.55 1hq4 s GLU 148 CO 0.53 -2.44 0.00 0.45 -0.49 0.00 0.00 175.26 173.32 1hq4 n SER 149 N -3.92 0.00 -4.14 -0.19 2.88 -1.26 -4.96 113.62 102.03 1hq4 n SER 149 Ca 0.12 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.48 1hq4 n SER 149 Cb 0.52 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.85 1hq4 n SER 149 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1hq4 s VAL 150 N 0.00 1.02 -0.21 2.46 -7.23 -1.26 -4.36 120.40 110.81 1hq4 s VAL 150 Ca 0.00 -1.08 -0.02 0.00 -1.81 0.00 0.00 61.98 59.08 1hq4 s VAL 150 Cb 0.00 -0.96 0.01 0.00 0.56 0.00 0.00 36.38 35.99 1hq4 s VAL 150 CO 0.00 -0.11 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.69 1hq4 s THR 151 N -1.02 2.79 -0.09 5.32 2.01 0.44 -4.96 115.64 120.13 1hq4 s THR 151 Ca -0.01 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.25 1hq4 s THR 151 Cb -0.09 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.14 1hq4 s THR 151 CO 0.01 0.41 -0.23 0.54 -0.69 0.00 0.00 174.62 174.66 1hq4 s VAL 152 N 1.37 1.98 0.04 3.82 0.11 -1.26 -0.87 120.40 125.59 1hq4 s VAL 152 Ca 0.04 -0.97 0.02 0.00 -2.93 0.00 0.00 61.98 58.13 1hq4 s VAL 152 Cb -0.14 -1.71 -0.02 0.00 -1.53 0.00 0.00 36.38 32.97 1hq4 s VAL 152 CO -0.07 0.54 -0.07 0.42 -3.33 0.00 0.00 175.10 172.59 1hq4 s THR 153 N 0.33 0.47 -0.32 5.04 -4.23 -0.40 -4.98 115.64 111.55 1hq4 s THR 153 Ca -0.18 -1.13 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 1hq4 s THR 153 Cb -0.17 -0.64 -0.02 0.00 1.34 0.00 0.00 72.50 73.00 1hq4 s THR 153 CO 0.08 -0.45 0.21 0.26 -0.54 0.00 0.00 174.62 174.18 1hq4 s TRP 154 N -1.61 3.21 -1.19 3.99 0.52 -1.26 0.04 118.94 122.65 1hq4 s TRP 154 Ca -0.09 -0.19 -0.01 0.00 0.02 0.00 0.00 56.10 55.83 1hq4 s TRP 154 Cb -0.09 -2.42 -0.01 0.00 -1.15 0.00 0.00 33.47 29.80 1hq4 s TRP 154 CO -0.00 -0.32 0.98 0.09 0.02 0.00 0.00 176.95 177.71 1hq4 n ASN 155 N 5.07 -2.54 -4.16 2.95 3.02 0.46 -1.77 115.26 118.30 1hq4 n ASN 155 Ca -0.13 -0.64 -0.41 0.00 -0.03 0.00 0.00 54.58 53.37 1hq4 n ASN 155 Cb 0.50 -5.08 -0.02 0.00 -0.61 0.00 0.00 39.78 34.57 1hq4 n ASN 155 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1hq4 n SER 156 N -3.14 -2.20 0.00 6.41 3.41 -1.26 -0.83 113.62 116.01 1hq4 n SER 156 Ca -0.26 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.06 1hq4 n SER 156 Cb 0.66 -1.69 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 1hq4 n SER 156 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hq4 n GLY 157 N -2.27 2.73 0.43 5.00 0.00 -1.21 -4.89 105.19 104.98 1hq4 n GLY 157 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1hq4 n GLY 157 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1hq4 h SER 158 N 0.00 -1.73 -3.35 1.61 0.87 -1.03 -3.36 113.55 106.56 1hq4 h SER 158 Ca 0.00 0.24 -0.58 0.00 -1.23 0.00 0.00 61.79 60.22 1hq4 h SER 158 Cb 0.00 0.72 -0.08 0.00 -0.44 0.00 0.00 62.40 62.61 1hq4 h SER 158 CO 0.00 -0.39 0.70 -0.76 -0.53 0.00 0.00 176.83 175.85 1hq4 s LEU 159 N -10.41 3.99 0.00 2.23 1.43 -0.73 -4.82 118.68 110.37 1hq4 s LEU 159 Ca -0.14 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1hq4 s LEU 159 Cb 0.10 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1hq4 s LEU 159 CO 0.63 -0.80 0.00 -1.54 0.23 0.00 0.00 176.35 174.87 1hq4 n SER 160 N 6.66 2.65 -4.77 2.29 3.41 -1.26 -4.25 113.62 118.35 1hq4 n SER 160 Ca 0.09 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.31 1hq4 n SER 160 Cb 0.47 0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 1hq4 n SER 160 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1hq4 s SER 161 N -2.83 7.47 -0.52 4.04 0.15 -1.26 -3.99 113.70 116.76 1hq4 s SER 161 Ca 0.00 1.75 -0.01 0.00 0.70 0.00 0.00 55.95 58.39 1hq4 s SER 161 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1hq4 s SER 161 CO 0.00 0.18 0.20 -1.20 1.20 0.00 0.00 173.24 173.61 1hq4 n SER 162 N 1.50 -3.03 -4.31 5.45 7.64 -1.26 -4.79 113.62 114.81 1hq4 n SER 162 Ca -0.04 -0.09 -0.23 0.00 1.01 0.00 0.00 58.87 59.52 1hq4 n SER 162 Cb 0.48 -1.97 -0.12 0.00 -1.01 0.00 0.00 64.21 61.59 1hq4 n SER 162 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1hq4 s VAL 163 N -2.72 1.76 -0.05 0.44 -7.23 -1.26 -1.27 120.40 110.07 1hq4 s VAL 163 Ca 0.10 -1.71 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 1hq4 s VAL 163 Cb -0.04 -1.68 0.03 0.00 0.56 0.00 0.00 36.38 35.25 1hq4 s VAL 163 CO 0.12 -0.18 0.08 -1.00 -0.31 0.00 0.00 175.10 173.81 1hq4 s HIS 164 N -1.56 0.01 -0.03 2.82 3.76 -0.46 -5.00 115.29 114.83 1hq4 s HIS 164 Ca 0.11 0.32 -0.01 0.00 -0.15 0.00 0.00 55.06 55.33 1hq4 s HIS 164 Cb -0.08 -0.43 -0.04 0.00 1.11 0.00 0.00 32.58 33.15 1hq4 s HIS 164 CO 0.05 -0.20 0.06 0.00 -0.85 0.00 0.00 174.74 173.80 1hq4 s ALA 165 N 2.14 3.51 0.09 -1.40 0.00 -1.26 -0.98 121.76 123.86 1hq4 s ALA 165 Ca 0.04 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1hq4 s ALA 165 Cb -0.12 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 1hq4 s ALA 165 CO -0.04 0.66 -0.06 -0.06 0.00 0.00 0.00 175.76 176.26 1hq4 s PHE 166 N -1.10 2.84 0.18 0.00 0.40 0.58 -4.98 117.98 115.91 1hq4 s PHE 166 Ca 0.20 -0.10 -0.32 0.00 -0.60 0.00 0.00 56.93 56.10 1hq4 s PHE 166 Cb -0.12 -1.48 -0.12 0.00 0.51 0.00 0.00 43.02 41.81 1hq4 s PHE 166 CO 0.10 0.44 1.72 -2.30 0.70 0.00 0.00 175.22 175.88 1hq4 n PRO 167 N 0.69 2.66 -1.18 0.24 -0.02 -1.26 -4.26 135.00 131.87 1hq4 n PRO 167 Ca -0.13 0.96 -0.34 0.00 -2.02 0.00 0.00 63.50 61.98 1hq4 n PRO 167 Cb 0.52 -2.80 0.12 0.00 -0.02 0.00 0.00 33.50 31.32 1hq4 n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hq4 n ALA 168 N 4.17 -0.03 -2.49 3.55 0.00 -1.26 -4.87 120.51 119.58 1hq4 n ALA 168 Ca 0.17 -0.29 -0.25 0.00 0.00 0.00 0.00 53.44 53.06 1hq4 n ALA 168 Cb 0.34 -2.22 -0.15 0.00 0.00 0.00 0.00 19.45 17.41 1hq4 n ALA 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1hq4 s LEU 169 N -5.06 2.04 -0.42 0.00 2.01 0.21 -4.93 118.68 112.52 1hq4 s LEU 169 Ca 0.74 -0.32 -0.14 0.00 0.01 0.00 0.00 54.13 54.41 1hq4 s LEU 169 Cb -0.30 -0.91 0.04 0.00 0.01 0.00 0.00 46.19 45.02 1hq4 s LEU 169 CO 0.50 0.22 0.31 -0.22 1.01 0.00 0.00 176.35 178.17 1hq4 s LEU 170 N -0.43 5.18 -0.27 1.79 1.98 -1.26 -1.22 118.68 124.46 1hq4 s LEU 170 Ca 0.07 -1.08 0.03 0.00 -2.89 0.00 0.00 54.13 50.26 1hq4 s LEU 170 Cb -0.07 -2.13 0.07 0.00 0.66 0.00 0.00 46.19 44.72 1hq4 s LEU 170 CO -0.01 -0.50 -0.08 -1.58 -1.89 0.00 0.00 176.35 172.29 1hq4 s GLN 171 N 1.63 2.14 -0.80 1.98 0.74 -0.04 -4.84 119.66 120.46 1hq4 s GLN 171 Ca 0.04 -1.43 -0.01 0.00 0.05 0.00 0.00 55.36 54.01 1hq4 s GLN 171 Cb -0.21 -2.95 -0.00 0.00 1.10 0.00 0.00 33.01 30.95 1hq4 s GLN 171 CO 0.08 -0.63 0.69 -1.13 -0.55 0.00 0.00 175.29 173.75 1hq4 n SER 172 N 4.41 -6.86 -1.99 6.67 3.41 -1.26 -2.96 113.62 115.03 1hq4 n SER 172 Ca -0.11 -0.38 -0.14 0.00 -0.26 0.00 0.00 58.87 57.98 1hq4 n SER 172 Cb 0.42 -4.28 -0.03 0.00 -0.26 0.00 0.00 64.21 60.06 1hq4 n SER 172 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hq4 n GLY 173 N -1.71 0.27 3.21 5.00 0.00 -1.26 -4.94 105.19 105.76 1hq4 n GLY 173 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1hq4 n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hq4 s LEU 174 N -4.88 0.84 -0.11 0.99 1.02 -1.16 -4.92 118.68 110.46 1hq4 s LEU 174 Ca 0.00 0.44 -0.07 0.00 0.02 0.00 0.00 54.13 54.52 1hq4 s LEU 174 Cb 0.00 1.12 -0.04 0.00 0.02 0.00 0.00 46.19 47.29 1hq4 s LEU 174 CO 0.00 -0.22 0.15 -0.31 0.02 0.00 0.00 176.35 175.99 1hq4 s TYR 175 N -0.33 3.60 -0.03 0.29 2.02 0.50 -0.86 117.35 122.54 1hq4 s TYR 175 Ca -0.05 0.54 0.05 0.00 -0.37 0.00 0.00 57.07 57.24 1hq4 s TYR 175 Cb -0.03 -1.95 -0.01 0.00 -0.40 0.00 0.00 41.96 39.57 1hq4 s TYR 175 CO 0.02 0.73 -0.17 0.99 -1.57 0.00 0.00 175.55 175.55 1hq4 s THR 176 N -1.04 1.41 0.01 -0.71 2.01 -0.35 -1.48 115.64 115.49 1hq4 s THR 176 Ca 0.16 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 61.25 1hq4 s THR 176 Cb -0.12 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.23 1hq4 s THR 176 CO 0.05 0.40 0.37 -0.32 -0.69 0.00 0.00 174.62 174.43 1hq4 s MET 177 N -0.23 0.80 0.15 4.92 0.00 0.15 -0.62 119.30 124.48 1hq4 s MET 177 Ca 0.02 -0.26 -0.07 0.00 0.00 0.00 0.00 55.69 55.39 1hq4 s MET 177 Cb -0.09 0.36 -0.02 0.00 0.00 0.00 0.00 34.83 35.08 1hq4 s MET 177 CO 0.00 -0.25 0.22 -1.54 0.00 0.00 0.00 175.02 173.46 1hq4 s SER 178 N -1.64 0.12 -0.12 1.11 1.04 -1.26 -0.64 113.70 112.30 1hq4 s SER 178 Ca -0.09 -0.95 -0.17 0.00 0.48 0.00 0.00 55.95 55.21 1hq4 s SER 178 Cb -0.03 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.53 1hq4 s SER 178 CO 0.02 -0.84 0.45 -0.55 0.98 0.00 0.00 173.24 173.29 1hq4 s SER 179 N -2.98 -0.43 0.19 7.02 0.15 -0.59 -0.31 113.70 116.74 1hq4 s SER 179 Ca 0.18 0.70 0.10 0.00 0.70 0.00 0.00 55.95 57.63 1hq4 s SER 179 Cb 0.04 0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 65.05 1hq4 s SER 179 CO -0.00 -0.28 -0.21 -0.94 1.20 0.00 0.00 173.24 173.01 1hq4 s SER 180 N -0.30 3.07 -0.05 5.45 1.04 -0.15 -0.54 113.70 122.21 1hq4 s SER 180 Ca -0.05 -0.88 -0.02 0.00 0.48 0.00 0.00 55.95 55.49 1hq4 s SER 180 Cb -0.03 -0.21 0.04 0.00 0.10 0.00 0.00 66.02 65.91 1hq4 s SER 180 CO 0.03 0.04 0.09 0.54 0.98 0.00 0.00 173.24 174.92 1hq4 s VAL 181 N -1.92 -0.08 -0.17 5.02 0.11 -0.15 -1.35 120.40 121.86 1hq4 s VAL 181 Ca 0.19 0.25 -0.04 0.00 -2.93 0.00 0.00 61.98 59.45 1hq4 s VAL 181 Cb -0.07 -0.17 -0.02 0.00 -1.53 0.00 0.00 36.38 34.59 1hq4 s VAL 181 CO 0.09 0.10 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.03 1hq4 s THR 182 N 1.38 3.79 0.23 5.04 2.01 -0.39 -0.65 115.64 127.04 1hq4 s THR 182 Ca -0.06 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1hq4 s THR 182 Cb -0.12 -2.67 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 1hq4 s THR 182 CO -0.04 0.48 0.07 0.68 -0.69 0.00 0.00 174.62 175.11 1hq4 s VAL 183 N 0.59 0.57 0.46 3.82 -7.23 -0.55 -4.76 120.40 113.31 1hq4 s VAL 183 Ca -0.03 -1.99 -0.22 0.00 -1.81 0.00 0.00 61.98 57.93 1hq4 s VAL 183 Cb -0.14 -2.46 -0.08 0.00 0.56 0.00 0.00 36.38 34.26 1hq4 s VAL 183 CO 0.03 -0.16 1.13 -2.16 -0.31 0.00 0.00 175.10 173.62 1hq4 s PRO 184 N -4.00 3.78 0.55 4.82 0.04 -1.26 -0.12 135.00 138.81 1hq4 s PRO 184 Ca 0.33 1.66 0.34 0.00 0.04 0.00 0.00 61.00 63.38 1hq4 s PRO 184 Cb 0.07 -2.35 1.51 0.00 0.04 0.00 0.00 34.50 33.77 1hq4 s PRO 184 CO 0.10 -0.50 1.81 0.66 0.04 0.00 0.00 177.00 179.11 1hq4 h SER 185 N 1.97 0.00 -0.28 6.66 4.64 -1.53 -1.81 113.55 123.20 1hq4 h SER 185 Ca -0.49 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.67 1hq4 h SER 185 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1hq4 h SER 185 CO 0.60 0.00 -0.43 0.28 -0.87 0.00 0.00 176.83 176.41 1hq4 h SER 186 N 0.00 0.90 0.18 4.97 0.02 -1.91 -3.34 113.55 114.38 1hq4 h SER 186 Ca 0.49 -0.43 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1hq4 h SER 186 Cb 2.06 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 64.30 1hq4 h SER 186 CO -0.01 1.20 -0.47 0.74 -1.14 0.00 0.00 176.83 177.16 1hq4 h THR 187 N 0.68 0.08 -2.93 -2.27 2.02 -1.70 -3.42 112.91 105.37 1hq4 h THR 187 Ca 0.05 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 66.61 1hq4 h THR 187 Cb 1.01 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1hq4 h THR 187 CO 0.10 0.00 -0.46 0.86 0.37 0.00 0.00 175.52 176.39 1hq4 s TRP 188 N -5.86 3.52 -2.21 3.16 -0.00 -1.26 -0.38 118.94 115.92 1hq4 s TRP 188 Ca -0.17 0.35 0.20 0.00 -0.00 0.00 0.00 56.10 56.48 1hq4 s TRP 188 Cb 0.06 -1.83 0.79 0.00 -0.00 0.00 0.00 33.47 32.49 1hq4 s TRP 188 CO 0.62 0.58 1.56 -0.35 -0.00 0.00 0.00 176.95 179.36 1hq4 n PRO 189 N 0.45 1.58 0.00 5.86 -0.04 -1.26 -4.88 135.00 136.71 1hq4 n PRO 189 Ca -0.06 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 1hq4 n PRO 189 Cb 0.52 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1hq4 n PRO 189 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1hq4 n SER 190 N 0.10 0.00 -4.75 3.54 7.64 -1.10 -4.50 113.62 114.55 1hq4 n SER 190 Ca 0.15 0.69 -0.41 0.00 1.01 0.00 0.00 58.87 60.31 1hq4 n SER 190 Cb 0.27 -0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 1hq4 n SER 190 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1hq4 s GLN 191 N -1.75 4.18 0.16 1.43 -0.21 0.49 -4.94 119.66 119.01 1hq4 s GLN 191 Ca 0.00 2.47 -0.30 0.00 0.02 0.00 0.00 55.36 57.54 1hq4 s GLN 191 Cb 0.00 -3.05 -0.08 0.00 1.00 0.00 0.00 33.01 30.88 1hq4 s GLN 191 CO 0.00 -0.53 1.24 0.99 -2.12 0.00 0.00 175.29 174.87 1hq4 s THR 192 N -0.14 3.55 -0.25 -0.19 2.01 -1.26 -4.57 115.64 114.80 1hq4 s THR 192 Ca 0.60 1.24 0.01 0.00 0.31 0.00 0.00 61.69 63.85 1hq4 s THR 192 Cb -0.45 -3.79 0.06 0.00 0.01 0.00 0.00 72.50 68.33 1hq4 s THR 192 CO 0.48 0.16 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.83 1hq4 s VAL 193 N 0.33 1.65 0.14 3.82 1.01 -1.26 -5.03 120.40 121.06 1hq4 s VAL 193 Ca 0.56 -1.35 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1hq4 s VAL 193 Cb -0.33 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1hq4 s VAL 193 CO 0.35 -0.13 -0.00 -0.89 0.00 0.00 0.00 175.10 174.42 1hq4 s THR 194 N 1.33 3.82 -0.26 3.92 2.01 -1.26 -2.19 115.64 123.01 1hq4 s THR 194 Ca -0.05 -1.25 -0.04 0.00 0.31 0.00 0.00 61.69 60.66 1hq4 s THR 194 Cb -0.19 -2.88 0.01 0.00 0.01 0.00 0.00 72.50 69.45 1hq4 s THR 194 CO -0.07 -0.01 -0.01 0.00 -0.69 0.00 0.00 174.62 173.84 1hq4 s SER 196 N 1.43 6.38 -0.07 0.00 0.01 0.11 -1.88 113.70 119.68 1hq4 s SER 196 Ca 0.03 0.44 0.01 0.00 1.31 0.00 0.00 55.95 57.74 1hq4 s SER 196 Cb -0.16 -2.20 0.02 0.00 0.21 0.00 0.00 66.02 63.89 1hq4 s SER 196 CO -0.02 -0.03 -0.06 -0.69 0.41 0.00 0.00 173.24 172.86 1hq4 s VAL 197 N 1.14 0.73 -0.06 3.43 1.01 -0.24 -1.28 120.40 125.14 1hq4 s VAL 197 Ca 0.17 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1hq4 s VAL 197 Cb -0.14 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1hq4 s VAL 197 CO 0.07 0.29 -0.12 0.00 0.00 0.00 0.00 175.10 175.34 1hq4 s ALA 198 N 1.18 1.18 -0.35 5.51 0.00 -0.05 -0.30 121.76 128.94 1hq4 s ALA 198 Ca -0.06 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 51.53 1hq4 s ALA 198 Cb -0.14 -0.52 0.10 0.00 0.00 0.00 0.00 23.12 22.57 1hq4 s ALA 198 CO -0.02 0.12 0.08 -1.58 0.00 0.00 0.00 175.76 174.37 1hq4 s HIS 199 N 0.58 3.21 0.12 0.00 2.46 -0.36 -0.42 115.29 120.88 1hq4 s HIS 199 Ca -0.12 -2.72 -0.24 0.00 0.47 0.00 0.00 55.06 52.45 1hq4 s HIS 199 Cb -0.15 -2.62 -0.06 0.00 -0.13 0.00 0.00 32.58 29.63 1hq4 s HIS 199 CO 0.03 -0.91 1.67 -1.35 -2.47 0.00 0.00 174.74 171.71 1hq4 h PRO 200 N 7.60 -0.24 0.00 2.88 0.11 -1.84 -1.30 132.00 139.22 1hq4 h PRO 200 Ca -0.06 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1hq4 h PRO 200 Cb 1.01 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1hq4 h PRO 200 CO 0.52 -0.16 0.15 0.00 -0.21 0.00 0.00 178.00 178.30 1hq4 n ALA 201 N -2.49 0.68 -1.60 -0.75 0.00 -1.26 0.29 120.51 115.38 1hq4 n ALA 201 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1hq4 n ALA 201 Cb 0.21 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1hq4 n ALA 201 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1hq4 n SER 202 N -1.19 0.00 -3.09 0.00 3.41 -1.07 -4.92 113.62 106.75 1hq4 n SER 202 Ca 0.00 -1.54 -0.18 0.00 -0.26 0.00 0.00 58.87 56.89 1hq4 n SER 202 Cb 0.15 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1hq4 n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1hq4 n SER 203 N 0.00 -3.01 -3.93 4.04 7.64 0.15 -4.95 113.62 113.55 1hq4 n SER 203 Ca 0.00 -0.47 -0.18 0.00 1.01 0.00 0.00 58.87 59.23 1hq4 n SER 203 Cb 0.61 -0.97 -0.16 0.00 -1.01 0.00 0.00 64.21 62.69 1hq4 n SER 203 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1hq4 s THR 204 N -2.14 0.51 -0.21 0.44 -4.23 -0.90 -5.02 115.64 104.09 1hq4 s THR 204 Ca 0.06 -0.18 -0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1hq4 s THR 204 Cb -0.01 -0.49 0.05 0.00 1.34 0.00 0.00 72.50 73.40 1hq4 s THR 204 CO 0.54 0.19 -0.05 -0.89 -0.54 0.00 0.00 174.62 173.87 1hq4 s THR 205 N 0.46 1.31 -0.05 3.99 2.01 -1.26 -1.22 115.64 120.88 1hq4 s THR 205 Ca -0.06 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 60.99 1hq4 s THR 205 Cb -0.10 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1hq4 s THR 205 CO -0.00 -0.03 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.11 1hq4 s VAL 206 N 1.51 3.46 -0.16 3.82 1.01 0.59 -4.99 120.40 125.64 1hq4 s VAL 206 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1hq4 s VAL 206 Cb -0.17 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.84 1hq4 s VAL 206 CO -0.07 0.58 -0.10 -1.81 0.00 0.00 0.00 175.10 173.70 1hq4 s ASP 207 N -0.84 2.85 -0.19 3.32 -0.00 -1.26 -1.08 116.67 119.48 1hq4 s ASP 207 Ca 0.12 -0.62 0.01 0.00 -0.00 0.00 0.00 52.55 52.06 1hq4 s ASP 207 Cb -0.11 -1.09 0.04 0.00 -0.00 0.00 0.00 42.92 41.76 1hq4 s ASP 207 CO 0.02 -0.12 -0.11 -0.54 -0.00 0.00 0.00 175.17 174.42 1hq4 s LYS 208 N 1.53 2.07 0.02 8.23 -0.14 -0.79 -4.97 119.74 125.69 1hq4 s LYS 208 Ca 0.02 -0.76 -0.19 0.00 -1.36 0.00 0.00 55.97 53.68 1hq4 s LYS 208 Cb -0.14 -2.32 -0.06 0.00 -1.68 0.00 0.00 37.83 33.62 1hq4 s LYS 208 CO -0.09 -0.38 0.55 -1.59 -0.76 0.00 0.00 175.35 173.08 1hq4 s LYS 209 N 1.43 4.22 -0.51 1.68 -2.85 -1.26 -0.81 119.74 121.64 1hq4 s LYS 209 Ca 0.00 0.67 -0.28 0.00 -1.00 0.00 0.00 55.97 55.36 1hq4 s LYS 209 Cb -0.15 -3.29 0.03 0.00 -2.06 0.00 0.00 37.83 32.36 1hq4 s LYS 209 CO -0.09 0.51 1.12 -0.51 0.10 0.00 0.00 175.35 176.48 1hq4 s LEU 210 N -0.64 3.65 -0.09 2.77 2.01 -0.93 -4.96 118.68 120.48 1hq4 s LEU 210 Ca 0.29 0.29 -0.05 0.00 0.01 0.00 0.00 54.13 54.67 1hq4 s LEU 210 Cb -0.18 -3.38 -0.04 0.00 0.01 0.00 0.00 46.19 42.60 1hq4 s LEU 210 CO 0.17 -1.29 0.10 -1.61 1.01 0.00 0.00 176.35 174.73 1hq4 s GLU 211 N 4.48 3.28 0.29 1.70 2.02 -1.26 -4.78 118.70 124.43 1hq4 s GLU 211 Ca 0.45 -0.25 -0.30 0.00 0.02 0.00 0.00 54.97 54.89 1hq4 s GLU 211 Cb -0.08 -3.04 -0.13 0.00 0.10 0.00 0.00 34.13 30.98 1hq4 s GLU 211 CO 0.29 0.74 1.38 -2.30 0.02 0.00 0.00 175.26 175.39 1hq4 n PRO 212 N 1.89 2.14 0.00 0.39 -0.02 -1.26 -4.78 135.00 133.36 1hq4 n PRO 212 Ca -0.18 0.76 0.08 0.00 -2.02 0.00 0.00 63.50 62.13 1hq4 n PRO 212 Cb 0.54 -2.40 0.48 0.00 -0.02 0.00 0.00 33.50 32.10 1hq4 n PRO 212 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11