#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqk s VAL 2 N 0.00 4.48 -0.09 -0.39 1.01 -1.25 -4.46 120.40 119.70 3hqk s VAL 2 Ca 0.00 1.76 0.03 0.00 0.00 0.00 0.00 61.98 63.77 3hqk s VAL 2 Cb 0.00 -4.17 -0.24 0.00 0.00 0.00 0.00 36.38 31.97 3hqk s VAL 2 CO 0.00 0.44 0.48 0.00 0.00 0.00 0.00 175.10 176.02 3hqk n GLN 3 N 2.15 0.70 -4.13 2.72 1.13 -0.83 -4.92 117.38 114.19 3hqk n GLN 3 Ca -0.03 0.27 -0.31 0.00 -1.94 0.00 0.00 57.00 54.98 3hqk n GLN 3 Cb 0.49 -1.74 -0.08 0.00 0.11 0.00 0.00 30.24 29.02 3hqk n GLN 3 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3hqk n LEU 4 N -3.25 -0.80 -4.81 1.08 7.94 -1.25 -4.78 117.00 111.14 3hqk n LEU 4 Ca -0.25 -1.11 -0.22 0.00 -1.11 0.00 0.00 56.01 53.32 3hqk n LEU 4 Cb 1.05 -1.40 -0.04 0.00 0.53 0.00 0.00 43.42 43.56 3hqk n LEU 4 CO 0.43 0.28 -0.17 0.00 -1.11 0.00 0.00 177.39 176.83 3hqk s GLN 5 N -6.70 2.81 0.00 1.96 1.03 -1.21 -3.77 119.66 113.79 3hqk s GLN 5 Ca 0.30 -1.15 0.00 0.00 0.04 0.00 0.00 55.36 54.55 3hqk s GLN 5 Cb -0.17 -2.50 0.00 0.00 0.03 0.00 0.00 33.01 30.37 3hqk s GLN 5 CO 0.89 0.33 0.00 1.04 -2.54 0.00 0.00 175.29 175.01 3hqk n GLN 6 N -1.19 2.93 -3.61 9.60 6.02 -1.26 -1.33 117.38 128.54 3hqk n GLN 6 Ca -0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.64 3hqk n GLN 6 Cb 0.58 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.72 3hqk n GLN 6 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3hqk s SER 7 N 1.00 3.13 -1.34 1.08 1.04 -1.21 -4.99 113.70 112.41 3hqk s SER 7 Ca 0.00 -2.80 -0.06 0.00 0.48 0.00 0.00 55.95 53.57 3hqk s SER 7 Cb 0.00 -0.84 0.11 0.00 0.10 0.00 0.00 66.02 65.39 3hqk s SER 7 CO 0.00 -0.23 2.34 0.61 0.98 0.00 0.00 173.24 176.94 3hqk n GLY 8 N 3.28 5.07 3.24 7.32 0.00 -1.26 -4.83 105.19 118.01 3hqk n GLY 8 Ca 0.16 -2.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.02 3hqk n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hqk s PRO 9 N -0.65 1.04 0.28 1.61 0.04 -1.26 -4.60 135.00 131.46 3hqk s PRO 9 Ca 0.53 -1.44 0.03 0.00 0.04 0.00 0.00 61.00 60.15 3hqk s PRO 9 Cb 0.17 -0.55 -0.06 0.00 0.04 0.00 0.00 34.50 34.11 3hqk s PRO 9 CO -0.08 0.05 0.07 -1.83 0.04 0.00 0.00 177.00 175.25 3hqk s GLU 10 N -3.77 1.48 0.16 4.56 1.03 -1.26 -4.66 118.70 116.24 3hqk s GLU 10 Ca 0.17 -1.80 0.03 0.00 0.03 0.00 0.00 54.97 53.39 3hqk s GLU 10 Cb 0.03 -0.53 -0.05 0.00 -0.80 0.00 0.00 34.13 32.78 3hqk s GLU 10 CO 0.00 -0.22 -0.03 -0.48 -1.33 0.00 0.00 175.26 173.19 3hqk s LEU 11 N -3.37 2.29 0.01 1.83 0.05 -1.26 -4.90 118.68 113.33 3hqk s LEU 11 Ca 0.36 -1.12 0.05 0.00 0.05 0.00 0.00 54.13 53.47 3hqk s LEU 11 Cb 0.08 -0.16 -0.03 0.00 -2.05 0.00 0.00 46.19 44.02 3hqk s LEU 11 CO 0.13 -0.49 -0.15 0.54 -0.55 0.00 0.00 176.35 175.84 3hqk s VAL 12 N -3.53 3.04 0.60 1.48 0.11 -0.93 -4.92 120.40 116.25 3hqk s VAL 12 Ca 0.21 -0.99 -0.20 0.00 -2.93 0.00 0.00 61.98 58.07 3hqk s VAL 12 Cb 0.05 -2.27 -0.03 0.00 -1.53 0.00 0.00 36.38 32.60 3hqk s VAL 12 CO 0.03 0.41 1.31 -0.54 -3.33 0.00 0.00 175.10 172.98 3hqk s LYS 13 N -1.27 2.85 0.38 1.54 1.02 -1.26 -2.84 119.74 120.17 3hqk s LYS 13 Ca 0.14 2.12 -0.26 0.00 0.02 0.00 0.00 55.97 57.99 3hqk s LYS 13 Cb -0.11 -2.03 -0.12 0.00 -0.52 0.00 0.00 37.83 35.05 3hqk s LYS 13 CO 0.05 -1.38 1.04 -2.30 -0.92 0.00 0.00 175.35 171.84 3hqk n PRO 14 N -1.49 1.45 0.00 -1.68 -0.02 -1.26 -2.79 135.00 129.21 3hqk n PRO 14 Ca 0.13 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3hqk n PRO 14 Cb 0.47 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3hqk n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqk n GLY 15 N 1.14 2.31 0.00 -1.23 0.00 -1.03 -4.99 105.19 101.40 3hqk n GLY 15 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3hqk n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqk n ALA 16 N 0.00 0.00 -2.82 4.61 0.00 -1.12 -4.41 120.51 116.77 3hqk n ALA 16 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3hqk n ALA 16 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 3hqk n ALA 16 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hqk s LEU 17 N 0.00 2.24 -0.01 0.00 0.20 -1.26 -3.32 118.68 116.53 3hqk s LEU 17 Ca 0.00 -0.53 0.04 0.00 0.69 0.00 0.00 54.13 54.33 3hqk s LEU 17 Cb 0.00 -0.25 -0.01 0.00 -0.43 0.00 0.00 46.19 45.50 3hqk s LEU 17 CO 0.00 -0.16 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.10 3hqk s VAL 18 N -1.26 0.92 -0.13 1.68 1.01 -1.18 -4.98 120.40 116.45 3hqk s VAL 18 Ca -0.07 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3hqk s VAL 18 Cb -0.09 -0.77 0.04 0.00 0.00 0.00 0.00 36.38 35.56 3hqk s VAL 18 CO 0.01 0.24 0.00 -0.75 0.00 0.00 0.00 175.10 174.60 3hqk s LYS 19 N -0.32 0.77 0.24 2.72 2.20 -1.26 -1.30 119.74 122.79 3hqk s LYS 19 Ca 0.04 -0.19 0.09 0.00 -0.36 0.00 0.00 55.97 55.56 3hqk s LYS 19 Cb -0.05 -1.58 -0.04 0.00 -1.51 0.00 0.00 37.83 34.65 3hqk s LYS 19 CO -0.00 -0.45 -0.04 0.42 -0.36 0.00 0.00 175.35 174.91 3hqk s ILE 20 N 1.88 3.32 0.05 5.43 1.01 0.16 -4.91 121.20 128.14 3hqk s ILE 20 Ca 0.02 -1.84 0.04 0.00 0.00 0.00 0.00 60.65 58.86 3hqk s ILE 20 Cb -0.14 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 3hqk s ILE 20 CO -0.07 -0.28 -0.11 -0.94 0.00 0.00 0.00 174.94 173.54 3hqk s SER 21 N -3.37 1.24 0.01 3.58 1.04 -1.26 -0.69 113.70 114.24 3hqk s SER 21 Ca 0.29 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 56.25 3hqk s SER 21 Cb -0.07 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.01 3hqk s SER 21 CO 0.18 -0.10 -0.16 0.00 0.98 0.00 0.00 173.24 174.13 3hqk s LYS 23 N -0.64 0.69 0.07 0.00 1.02 -0.44 -0.84 119.74 119.60 3hqk s LYS 23 Ca 0.05 -0.44 -0.30 0.00 0.02 0.00 0.00 55.97 55.30 3hqk s LYS 23 Cb -0.07 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.07 3hqk s LYS 23 CO 0.00 -0.64 1.03 0.00 -0.92 0.00 0.00 175.35 174.83 3hqk s ALA 24 N 1.84 3.25 -0.13 5.17 0.00 -0.61 -3.32 121.76 127.98 3hqk s ALA 24 Ca -0.01 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3hqk s ALA 24 Cb -0.17 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.63 3hqk s ALA 24 CO -0.08 -0.21 -0.11 -1.54 0.00 0.00 0.00 175.76 173.82 3hqk s SER 25 N 0.60 2.40 0.00 0.00 1.04 -1.26 -4.77 113.70 111.70 3hqk s SER 25 Ca 0.52 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.55 3hqk s SER 25 Cb -0.24 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 64.87 3hqk s SER 25 CO 0.30 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.05 3hqk n GLY 26 N 4.75 1.33 3.48 7.32 0.00 -1.26 -1.97 105.19 118.83 3hqk n GLY 26 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 3hqk n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hqk s TYR 27 N -2.00 -0.47 0.15 1.61 -0.85 -1.26 -4.47 117.35 110.06 3hqk s TYR 27 Ca 0.00 0.41 -0.31 0.00 -0.52 0.00 0.00 57.07 56.65 3hqk s TYR 27 Cb 0.00 0.52 -0.08 0.00 0.38 0.00 0.00 41.96 42.78 3hqk s TYR 27 CO 0.00 -0.66 1.36 0.95 -1.52 0.00 0.00 175.55 175.68 3hqk s THR 28 N -2.96 3.27 0.27 -3.49 -4.23 -1.26 -4.86 115.64 102.38 3hqk s THR 28 Ca 0.01 0.96 -0.03 0.00 -1.18 0.00 0.00 61.69 61.45 3hqk s THR 28 Cb -0.01 -3.61 0.18 0.00 1.34 0.00 0.00 72.50 70.39 3hqk s THR 28 CO -0.07 0.10 1.84 0.15 -0.54 0.00 0.00 174.62 176.10 3hqk h PHE 29 N 6.25 0.97 -0.44 3.99 3.04 -1.93 -3.05 116.94 125.78 3hqk h PHE 29 Ca -0.43 -0.06 -0.14 0.00 3.98 0.00 0.00 57.97 61.32 3hqk h PHE 29 Cb 1.21 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 39.42 3hqk h PHE 29 CO 0.64 0.75 -0.26 1.15 -2.02 0.00 0.00 178.31 178.57 3hqk h THR 30 N 0.94 1.27 -0.04 4.41 2.02 -1.92 -3.30 112.91 116.28 3hqk h THR 30 Ca 0.22 -1.42 0.01 0.00 0.77 0.00 0.00 66.41 65.99 3hqk h THR 30 Cb 0.20 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 3hqk h THR 30 CO -0.02 0.48 0.46 0.78 0.37 0.00 0.00 175.52 177.60 3hqk h ASN 31 N 0.78 0.00 -4.92 4.18 -0.26 -1.93 -3.44 115.58 110.00 3hqk h ASN 31 Ca 0.09 0.00 -0.54 0.00 -0.56 0.00 0.00 56.30 55.29 3hqk h ASN 31 Cb 0.84 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 37.97 3hqk h ASN 31 CO 0.07 0.00 -0.47 -1.22 -1.06 0.00 0.00 177.43 174.75 3hqk n TYR 32 N -2.89 -0.17 -3.24 1.19 4.01 -1.24 -4.97 117.16 109.85 3hqk n TYR 32 Ca -0.01 -2.72 -0.24 0.00 -0.16 0.00 0.00 57.90 54.77 3hqk n TYR 32 Cb 0.51 0.09 -0.01 0.00 -0.31 0.00 0.00 39.34 39.63 3hqk n TYR 32 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hqk s ASP 33 N -3.49 6.27 0.02 7.72 1.01 -1.26 -4.49 116.67 122.45 3hqk s ASP 33 Ca 0.27 0.52 0.07 0.00 0.71 0.00 0.00 52.55 54.12 3hqk s ASP 33 Cb 0.01 -2.05 -0.03 0.00 1.01 0.00 0.00 42.92 41.87 3hqk s ASP 33 CO 0.19 -0.36 -0.19 -0.63 0.21 0.00 0.00 175.17 174.39 3hqk s ILE 34 N -2.40 2.71 0.00 0.77 -1.09 -0.30 -4.57 121.20 116.32 3hqk s ILE 34 Ca 0.42 -1.11 0.03 0.00 -2.23 0.00 0.00 60.65 57.75 3hqk s ILE 34 Cb -0.10 -2.10 -0.01 0.00 -1.58 0.00 0.00 42.46 38.67 3hqk s ILE 34 CO 0.38 0.41 -0.10 0.20 -1.23 0.00 0.00 174.94 174.59 3hqk s ASN 35 N -1.22 1.19 -0.21 3.58 0.01 0.25 -0.97 114.94 117.58 3hqk s ASN 35 Ca 0.13 -0.25 0.01 0.00 -0.71 0.00 0.00 52.86 52.05 3hqk s ASN 35 Cb -0.10 -0.11 0.04 0.00 0.41 0.00 0.00 41.25 41.49 3hqk s ASN 35 CO 0.04 0.08 -0.14 0.26 -1.51 0.00 0.00 177.10 175.83 3hqk s TRP 36 N -0.41 2.71 0.40 2.20 0.52 -0.82 0.04 118.94 123.58 3hqk s TRP 36 Ca 0.02 -1.77 0.08 0.00 0.02 0.00 0.00 56.10 54.45 3hqk s TRP 36 Cb -0.05 -1.79 -0.02 0.00 -1.15 0.00 0.00 33.47 30.47 3hqk s TRP 36 CO -0.00 -0.79 0.40 0.14 0.02 0.00 0.00 176.95 176.72 3hqk s VAL 37 N 1.30 2.87 -0.34 4.03 -7.23 -0.68 0.26 120.40 120.60 3hqk s VAL 37 Ca -0.01 -1.28 0.01 0.00 -1.81 0.00 0.00 61.98 58.89 3hqk s VAL 37 Cb -0.16 -3.03 0.14 0.00 0.56 0.00 0.00 36.38 33.89 3hqk s VAL 37 CO -0.09 -0.03 0.27 -0.75 -0.31 0.00 0.00 175.10 174.19 3hqk s LYS 38 N -4.15 0.51 -0.13 4.82 2.20 0.43 -2.40 119.74 121.02 3hqk s LYS 38 Ca 0.48 -0.95 -0.28 0.00 -0.36 0.00 0.00 55.97 54.86 3hqk s LYS 38 Cb -0.05 -1.01 -0.01 0.00 -1.51 0.00 0.00 37.83 35.25 3hqk s LYS 38 CO 0.29 -1.17 0.95 -1.14 -0.36 0.00 0.00 175.35 173.92 3hqk s GLN 39 N 1.44 4.37 0.90 4.03 0.74 -1.02 -2.77 119.66 127.36 3hqk s GLN 39 Ca 0.16 1.27 -0.13 0.00 0.05 0.00 0.00 55.36 56.70 3hqk s GLN 39 Cb -0.19 -3.56 0.14 0.00 1.10 0.00 0.00 33.01 30.51 3hqk s GLN 39 CO -0.08 -0.33 1.18 1.03 -0.55 0.00 0.00 175.29 176.54 3hqk s ARG 40 N 2.11 1.19 0.17 1.67 1.81 -1.25 -0.49 118.95 124.17 3hqk s ARG 40 Ca 0.45 0.08 -0.33 0.00 -1.72 0.00 0.00 55.73 54.20 3hqk s ARG 40 Cb -0.17 -1.86 -0.14 0.00 -0.45 0.00 0.00 34.95 32.32 3hqk s ARG 40 CO 0.15 -2.12 1.49 -2.30 -0.68 0.00 0.00 175.30 171.85 3hqk n PRO 41 N -3.67 1.98 -2.54 3.54 -0.02 -1.26 -2.95 135.00 130.07 3hqk n PRO 41 Ca 0.09 0.71 -0.06 0.00 -2.02 0.00 0.00 63.50 62.22 3hqk n PRO 41 Cb 0.60 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3hqk n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqk n GLY 42 N 2.94 -0.22 0.08 -1.23 0.00 -1.26 -4.84 105.19 100.66 3hqk n GLY 42 Ca 0.16 0.16 -0.00 0.00 0.00 0.00 0.00 46.02 46.33 3hqk n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hqk n GLN 43 N -0.78 0.02 -2.16 1.61 6.02 -1.15 -5.14 117.38 115.80 3hqk n GLN 43 Ca -0.06 -0.05 -0.41 0.00 -0.01 0.00 0.00 57.00 56.47 3hqk n GLN 43 Cb 0.15 0.06 -0.03 0.00 1.02 0.00 0.00 30.24 31.44 3hqk n GLN 43 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3hqk s GLY 44 N -1.04 2.56 0.29 1.08 0.00 -1.26 -4.59 107.32 104.36 3hqk s GLY 44 Ca 0.00 1.18 -0.28 0.00 0.00 0.00 0.00 44.72 45.62 3hqk s GLY 44 CO 0.00 2.06 1.01 1.08 0.00 0.00 0.00 173.10 177.26 3hqk s LEU 45 N -0.58 4.48 -0.11 0.66 1.02 -1.26 -3.87 118.68 119.03 3hqk s LEU 45 Ca 0.55 2.05 0.03 0.00 0.02 0.00 0.00 54.13 56.78 3hqk s LEU 45 Cb -0.38 -3.78 -0.00 0.00 0.02 0.00 0.00 46.19 42.05 3hqk s LEU 45 CO 0.42 -0.08 -0.22 -0.70 0.02 0.00 0.00 176.35 175.79 3hqk s GLU 46 N -1.63 3.10 0.21 1.70 2.12 -1.11 -4.88 118.70 118.20 3hqk s GLU 46 Ca 0.46 -0.85 -0.27 0.00 0.36 0.00 0.00 54.97 54.68 3hqk s GLU 46 Cb -0.26 -2.37 -0.09 0.00 0.26 0.00 0.00 34.13 31.67 3hqk s GLU 46 CO 0.33 0.15 0.85 -0.46 -0.54 0.00 0.00 175.26 175.59 3hqk s TRP 47 N 0.42 3.92 -0.11 5.30 -0.00 -1.26 0.16 118.94 127.37 3hqk s TRP 47 Ca -0.16 1.75 -0.10 0.00 -0.00 0.00 0.00 56.10 57.59 3hqk s TRP 47 Cb -0.17 -2.86 -0.05 0.00 -0.00 0.00 0.00 33.47 30.39 3hqk s TRP 47 CO 0.07 0.47 -0.21 -0.89 -0.00 0.00 0.00 176.95 176.39 3hqk n ILE 48 N 1.47 1.20 -3.64 5.86 5.41 0.71 -4.80 119.36 125.56 3hqk n ILE 48 Ca -0.04 0.05 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 3hqk n ILE 48 Cb 0.48 -1.91 -0.01 0.00 -0.71 0.00 0.00 39.64 37.48 3hqk n ILE 48 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3hqk s GLY 49 N -4.87 -0.34 -0.07 7.39 0.00 -1.12 0.16 107.32 108.48 3hqk s GLY 49 Ca -0.20 0.60 0.03 0.00 0.00 0.00 0.00 44.72 45.15 3hqk s GLY 49 CO 0.27 0.17 -0.17 0.66 0.00 0.00 0.00 173.10 174.03 3hqk s TRP 50 N -3.05 1.87 0.04 1.90 -2.14 -0.02 -1.95 118.94 115.59 3hqk s TRP 50 Ca 0.10 -0.68 0.06 0.00 2.66 0.00 0.00 56.10 58.24 3hqk s TRP 50 Cb -0.00 -1.29 -0.02 0.00 -3.10 0.00 0.00 33.47 29.05 3hqk s TRP 50 CO -0.03 -0.29 -0.18 -1.50 -2.66 0.00 0.00 176.95 172.29 3hqk s ILE 51 N 0.40 1.47 -0.17 0.66 2.07 -0.14 0.57 121.20 126.07 3hqk s ILE 51 Ca -0.13 -1.09 -0.03 0.00 -1.41 0.00 0.00 60.65 57.99 3hqk s ILE 51 Cb -0.15 -1.29 -0.02 0.00 0.13 0.00 0.00 42.46 41.13 3hqk s ILE 51 CO 0.05 0.17 -0.06 -0.47 -1.91 0.00 0.00 174.94 172.72 3hqk s TYR 52 N -0.77 2.95 0.23 3.50 5.04 -0.55 -1.15 117.35 126.60 3hqk s TYR 52 Ca 0.06 -0.58 -0.06 0.00 -2.44 0.00 0.00 57.07 54.05 3hqk s TYR 52 Cb -0.08 -1.98 0.37 0.00 0.35 0.00 0.00 41.96 40.62 3hqk s TYR 52 CO 0.01 -0.24 1.77 -1.35 -1.34 0.00 0.00 175.55 174.40 3hqk h PRO 53 N 7.17 0.56 -0.13 4.97 0.11 -1.84 -2.85 132.00 139.99 3hqk h PRO 53 Ca -0.33 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 3hqk h PRO 53 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3hqk h PRO 53 CO 0.60 0.37 0.04 0.78 -0.21 0.00 0.00 178.00 179.58 3hqk h GLY 54 N 0.57 0.22 -5.07 -0.55 0.00 -1.92 -3.45 103.07 92.87 3hqk h GLY 54 Ca 0.37 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.62 3hqk h GLY 54 CO -0.30 0.12 0.45 0.99 0.00 0.00 0.00 176.54 177.81 3hqk s ASP 55 N -5.58 -0.45 0.26 0.19 1.01 -1.07 -5.15 116.67 105.86 3hqk s ASP 55 Ca -0.14 0.76 0.00 0.00 0.71 0.00 0.00 52.55 53.89 3hqk s ASP 55 Cb 0.06 0.74 0.00 0.00 1.01 0.00 0.00 42.92 44.73 3hqk s ASP 55 CO 0.70 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 176.46 3hqk n GLY 56 N 1.78 -2.02 3.55 0.21 0.00 -1.26 -4.40 105.19 103.05 3hqk n GLY 56 Ca -0.12 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 3hqk n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hqk s SER 57 N -5.79 -0.44 -0.12 1.61 1.04 -1.26 -1.48 113.70 107.25 3hqk s SER 57 Ca 0.00 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.30 3hqk s SER 57 Cb 0.00 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.68 3hqk s SER 57 CO 0.00 -0.96 -0.18 -0.89 0.98 0.00 0.00 173.24 172.19 3hqk s THR 58 N -3.61 2.62 0.03 2.02 2.01 0.19 -4.98 115.64 113.91 3hqk s THR 58 Ca 0.05 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.27 3hqk s THR 58 Cb -0.02 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 3hqk s THR 58 CO -0.07 0.54 -0.08 0.00 -0.69 0.00 0.00 174.62 174.31 3hqk s MET 59 N 0.39 2.43 0.31 4.92 0.23 -1.26 -0.84 119.30 125.47 3hqk s MET 59 Ca -0.14 -0.80 -0.29 0.00 -1.03 0.00 0.00 55.69 53.43 3hqk s MET 59 Cb -0.17 -2.44 -0.11 0.00 -1.53 0.00 0.00 34.83 30.59 3hqk s MET 59 CO 0.07 0.58 1.55 -0.47 -2.03 0.00 0.00 175.02 174.71 3hqk s TYR 60 N -1.03 2.75 0.20 3.16 6.14 0.42 -4.92 117.35 124.07 3hqk s TYR 60 Ca 0.18 0.91 -0.08 0.00 0.64 0.00 0.00 57.07 58.72 3hqk s TYR 60 Cb -0.11 -4.02 0.13 0.00 0.42 0.00 0.00 41.96 38.38 3hqk s TYR 60 CO 0.09 -3.32 1.70 -0.97 0.64 0.00 0.00 175.55 173.68 3hqk h ASN 61 N 4.42 1.04 -0.74 4.32 -0.73 -1.93 -3.25 115.58 118.70 3hqk h ASN 61 Ca -0.48 -0.25 0.00 0.00 1.87 0.00 0.00 56.30 57.44 3hqk h ASN 61 Cb 1.22 -0.28 -0.04 0.00 0.27 0.00 0.00 38.32 39.50 3hqk h ASN 61 CO 0.75 1.04 0.47 -0.08 -0.37 0.00 0.00 177.43 179.24 3hqk h GLU 62 N 1.01 0.99 -4.81 6.67 4.81 -1.94 -3.30 114.58 118.00 3hqk h GLU 62 Ca 0.20 -0.08 -0.67 0.00 -0.13 0.00 0.00 59.36 58.68 3hqk h GLU 62 Cb 0.45 -0.21 -0.24 0.00 0.63 0.00 0.00 28.75 29.38 3hqk h GLU 62 CO 0.01 0.68 -0.59 -1.59 -0.73 0.00 0.00 179.01 176.79 3hqk s LYS 63 N -6.05 3.25 -0.15 1.92 -2.85 -1.23 -5.07 119.74 109.56 3hqk s LYS 63 Ca -0.13 -0.76 -0.04 0.00 -1.00 0.00 0.00 55.97 54.04 3hqk s LYS 63 Cb 0.15 -3.45 -0.03 0.00 -2.06 0.00 0.00 37.83 32.44 3hqk s LYS 63 CO 0.78 -0.41 -0.03 0.12 0.10 0.00 0.00 175.35 175.91 3hqk s PHE 64 N 1.56 3.04 0.00 1.78 5.36 -1.25 -4.37 117.98 124.11 3hqk s PHE 64 Ca 0.04 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 3hqk s PHE 64 Cb -0.17 -1.94 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 3hqk s PHE 64 CO 0.04 0.02 0.00 1.63 -1.46 0.00 0.00 175.22 175.46 3hqk n LYS 65 N 3.38 0.00 0.00 10.12 4.76 -1.26 -4.67 118.16 130.49 3hqk n LYS 65 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 3hqk n LYS 65 Cb 0.53 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.72 3hqk n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hqk n GLY 66 N 0.00 0.57 3.57 0.72 0.00 -1.26 -4.67 105.19 104.12 3hqk n GLY 66 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3hqk n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hqk s LYS 67 N 0.00 1.92 -0.22 1.61 -2.85 -1.25 0.69 119.74 119.64 3hqk s LYS 67 Ca 0.00 -1.78 -0.03 0.00 -1.00 0.00 0.00 55.97 53.16 3hqk s LYS 67 Cb 0.00 -1.84 0.10 0.00 -2.06 0.00 0.00 37.83 34.03 3hqk s LYS 67 CO 0.00 0.21 0.23 0.00 0.10 0.00 0.00 175.35 175.89 3hqk s ALA 68 N -2.53 -0.29 0.37 0.59 0.00 -0.92 -4.95 121.76 114.03 3hqk s ALA 68 Ca 0.33 0.12 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 3hqk s ALA 68 Cb -0.01 -1.42 -0.09 0.00 0.00 0.00 0.00 23.12 21.60 3hqk s ALA 68 CO 0.17 -1.31 1.15 0.95 0.00 0.00 0.00 175.76 176.72 3hqk s THR 69 N 2.33 3.26 0.27 0.00 -4.23 -1.26 -3.02 115.64 112.98 3hqk s THR 69 Ca 0.08 1.09 -0.12 0.00 -1.18 0.00 0.00 61.69 61.56 3hqk s THR 69 Cb -0.15 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.06 3hqk s THR 69 CO -0.17 0.13 0.50 -0.22 -0.54 0.00 0.00 174.62 174.33 3hqk s LEU 70 N -2.27 0.37 0.03 4.79 2.96 -0.04 -4.93 118.68 119.60 3hqk s LEU 70 Ca 0.54 -1.00 -0.28 0.00 -0.22 0.00 0.00 54.13 53.17 3hqk s LEU 70 Cb -0.30 1.81 0.10 0.00 0.50 0.00 0.00 46.19 48.30 3hqk s LEU 70 CO 0.39 -1.19 1.21 0.28 -1.32 0.00 0.00 176.35 175.71 3hqk s THR 71 N -3.81 0.00 -0.24 3.68 -1.32 -1.26 -1.63 115.64 111.06 3hqk s THR 71 Ca 0.23 -0.32 -0.03 0.00 -1.21 0.00 0.00 61.69 60.35 3hqk s THR 71 Cb -0.01 -2.30 0.08 0.00 -1.51 0.00 0.00 72.50 68.76 3hqk s THR 71 CO 0.10 0.00 0.09 0.00 -2.21 0.00 0.00 174.62 172.61 3hqk s ALA 72 N -2.44 0.80 0.30 11.08 0.00 -1.13 -4.99 121.76 125.38 3hqk s ALA 72 Ca 0.18 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.29 3hqk s ALA 72 Cb 0.02 -1.29 0.63 0.00 0.00 0.00 0.00 23.12 22.48 3hqk s ALA 72 CO -0.01 -1.42 1.85 -0.44 0.00 0.00 0.00 175.76 175.74 3hqk h ASP 73 N 8.32 0.85 0.35 0.00 3.32 -1.87 -3.09 116.42 124.30 3hqk h ASP 73 Ca -0.17 0.04 -0.25 0.00 0.02 0.00 0.00 57.03 56.67 3hqk h ASP 73 Cb 1.07 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.50 3hqk h ASP 73 CO 0.38 0.46 -1.08 0.11 -1.72 0.00 0.00 179.24 177.39 3hqk h LYS 74 N 0.91 0.44 0.00 3.56 1.57 -1.96 -2.60 116.57 118.49 3hqk h LYS 74 Ca 0.47 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3hqk h LYS 74 Cb 0.53 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3hqk h LYS 74 CO -0.24 1.20 0.00 0.43 -0.57 0.00 0.00 179.45 180.27 3hqk n SER 75 N -3.71 0.56 -3.09 0.86 7.64 -1.17 -4.87 113.62 109.83 3hqk n SER 75 Ca -0.09 0.64 -0.23 0.00 1.01 0.00 0.00 58.87 60.21 3hqk n SER 75 Cb 0.91 -0.76 0.03 0.00 -1.01 0.00 0.00 64.21 63.38 3hqk n SER 75 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3hqk n SER 76 N -2.12 -5.69 -4.02 6.43 2.88 -0.98 -4.91 113.62 105.21 3hqk n SER 76 Ca 0.02 -0.31 -0.08 0.00 -1.33 0.00 0.00 58.87 57.17 3hqk n SER 76 Cb 0.21 -4.61 -0.09 0.00 -0.75 0.00 0.00 64.21 58.97 3hqk n SER 76 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3hqk s SER 77 N -2.71 0.27 0.15 -3.46 1.04 -1.24 -1.57 113.70 106.19 3hqk s SER 77 Ca 0.32 -0.93 0.05 0.00 0.48 0.00 0.00 55.95 55.88 3hqk s SER 77 Cb -0.15 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 3hqk s SER 77 CO 0.40 -0.71 -0.12 0.42 0.98 0.00 0.00 173.24 174.21 3hqk s THR 78 N -3.94 1.31 0.06 2.02 -4.23 -0.02 -2.85 115.64 108.00 3hqk s THR 78 Ca 0.12 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 58.71 3hqk s THR 78 Cb 0.06 -1.81 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 3hqk s THR 78 CO -0.06 -0.64 -0.23 0.00 -0.54 0.00 0.00 174.62 173.14 3hqk s ALA 79 N -2.98 2.00 -0.05 3.99 0.00 -0.64 -1.61 121.76 122.47 3hqk s ALA 79 Ca 0.16 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 50.97 3hqk s ALA 79 Cb 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 3hqk s ALA 79 CO 0.02 0.45 -0.19 -0.47 0.00 0.00 0.00 175.76 175.58 3hqk s TYR 80 N -0.88 1.88 -0.03 0.00 5.04 0.13 -0.86 117.35 122.64 3hqk s TYR 80 Ca 0.09 -0.55 0.03 0.00 -2.44 0.00 0.00 57.07 54.20 3hqk s TYR 80 Cb -0.09 -1.26 0.00 0.00 0.35 0.00 0.00 41.96 40.96 3hqk s TYR 80 CO 0.03 -0.18 -0.12 -1.64 -1.34 0.00 0.00 175.55 172.30 3hqk s MET 81 N 0.01 1.27 -0.24 4.97 -1.94 -1.17 -0.66 119.30 121.54 3hqk s MET 81 Ca -0.04 -0.41 -0.08 0.00 -1.71 0.00 0.00 55.69 53.45 3hqk s MET 81 Cb -0.12 -1.14 -0.03 0.00 2.01 0.00 0.00 34.83 35.54 3hqk s MET 81 CO 0.03 0.15 0.08 -0.65 -0.01 0.00 0.00 175.02 174.62 3hqk s GLN 82 N 0.18 3.73 -0.17 2.03 -1.52 -0.42 -2.17 119.66 121.34 3hqk s GLN 82 Ca -0.04 -0.44 -0.21 0.00 -1.95 0.00 0.00 55.36 52.71 3hqk s GLN 82 Cb -0.10 -3.35 -0.19 0.00 -0.22 0.00 0.00 33.01 29.16 3hqk s GLN 82 CO 0.01 -0.12 0.37 1.25 -0.25 0.00 0.00 175.29 176.55 3hqk h LEU 83 N 8.03 0.00 -6.02 2.90 5.85 2.20 -3.12 115.31 125.15 3hqk h LEU 83 Ca -0.37 -0.60 -0.58 0.00 0.84 0.00 0.00 57.88 57.16 3hqk h LEU 83 Cb 1.18 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.80 3hqk h LEU 83 CO 0.59 1.16 -0.77 -1.20 -0.34 0.00 0.00 178.44 177.88 3hqk n SER 84 N -4.55 2.74 -4.47 1.25 7.64 -1.25 -4.68 113.62 110.30 3hqk n SER 84 Ca -0.19 -3.25 -0.32 0.00 1.01 0.00 0.00 58.87 56.12 3hqk n SER 84 Cb 0.51 -0.65 0.13 0.00 -1.01 0.00 0.00 64.21 63.20 3hqk n SER 84 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3hqk n SER 85 N 0.83 -1.56 -3.65 6.43 7.64 -1.21 -4.81 113.62 117.29 3hqk n SER 85 Ca 0.27 0.34 -0.14 0.00 1.01 0.00 0.00 58.87 60.36 3hqk n SER 85 Cb 0.45 -1.26 -0.06 0.00 -1.01 0.00 0.00 64.21 62.33 3hqk n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hqk s LEU 86 N -2.33 1.02 0.22 -3.43 1.43 -1.26 -2.45 118.68 111.87 3hqk s LEU 86 Ca 0.59 -1.39 -0.07 0.00 -1.03 0.00 0.00 54.13 52.23 3hqk s LEU 86 Cb -0.21 1.12 0.19 0.00 0.03 0.00 0.00 46.19 47.32 3hqk s LEU 86 CO 0.65 -1.12 1.78 0.00 0.23 0.00 0.00 176.35 177.89 3hqk h THR 87 N 2.27 1.26 -0.42 5.49 1.03 -1.97 -2.81 112.91 117.74 3hqk h THR 87 Ca -0.29 -0.86 -0.03 0.00 -0.01 0.00 0.00 66.41 65.22 3hqk h THR 87 Cb 1.24 0.40 -0.02 0.00 -1.07 0.00 0.00 68.15 68.70 3hqk h THR 87 CO 0.41 0.34 0.12 0.77 -0.01 0.00 0.00 175.52 177.16 3hqk h SER 88 N 1.10 0.57 0.21 0.00 4.64 -1.96 -3.04 113.55 115.06 3hqk h SER 88 Ca 0.25 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3hqk h SER 88 Cb 0.26 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3hqk h SER 88 CO -0.01 0.55 0.00 -0.33 -0.87 0.00 0.00 176.83 176.17 3hqk h GLU 89 N 0.61 0.00 -6.91 4.77 4.39 -1.89 -3.46 114.58 112.08 3hqk h GLU 89 Ca 0.14 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.29 3hqk h GLU 89 Cb 0.20 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 28.96 3hqk h GLU 89 CO -0.01 0.00 0.67 0.27 -1.16 0.00 0.00 179.01 178.79 3hqk n ASN 90 N -2.88 3.31 -4.76 1.42 2.04 -1.15 -4.94 115.26 108.30 3hqk n ASN 90 Ca -0.02 1.17 -0.39 0.00 -0.44 0.00 0.00 54.58 54.91 3hqk n ASN 90 Cb 0.11 -1.58 0.01 0.00 -2.53 0.00 0.00 39.78 35.80 3hqk n ASN 90 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 3hqk s SER 91 N -0.33 5.84 -1.04 0.53 0.01 -0.77 -4.81 113.70 113.13 3hqk s SER 91 Ca 0.57 2.65 -0.14 0.00 1.31 0.00 0.00 55.95 60.34 3hqk s SER 91 Cb -0.48 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.10 3hqk s SER 91 CO 0.61 -1.17 0.79 -0.24 0.41 0.00 0.00 173.24 173.63 3hqk n SER 92 N -0.48 -5.85 -4.70 2.44 2.88 -0.78 -4.62 113.62 102.51 3hqk n SER 92 Ca 0.07 -0.84 -0.41 0.00 -1.33 0.00 0.00 58.87 56.37 3hqk n SER 92 Cb 0.45 -3.77 0.01 0.00 -0.75 0.00 0.00 64.21 60.15 3hqk n SER 92 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 3hqk n VAL 93 N -3.56 2.53 -2.97 2.46 3.14 0.36 -4.18 118.33 116.11 3hqk n VAL 93 Ca -0.10 -0.50 -0.40 0.00 -2.96 0.00 0.00 64.34 60.38 3hqk n VAL 93 Cb 0.59 -1.55 -0.04 0.00 -1.06 0.00 0.00 33.84 31.78 3hqk n VAL 93 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 3hqk s TYR 94 N -1.20 3.56 -0.09 1.45 1.51 -0.93 -2.43 117.35 119.23 3hqk s TYR 94 Ca 0.61 1.32 0.02 0.00 -1.01 0.00 0.00 57.07 58.00 3hqk s TYR 94 Cb -0.51 -2.89 0.02 0.00 -0.11 0.00 0.00 41.96 38.46 3hqk s TYR 94 CO 0.58 0.02 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.85 3hqk s PHE 95 N 1.05 1.70 0.03 2.71 0.08 -1.01 -1.57 117.98 120.97 3hqk s PHE 95 Ca 0.40 -0.74 -0.04 0.00 0.12 0.00 0.00 56.93 56.67 3hqk s PHE 95 Cb -0.18 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 40.97 3hqk s PHE 95 CO 0.19 -0.40 0.25 0.00 -0.10 0.00 0.00 175.22 175.15 3hqk s ALA 97 N -1.41 -1.62 -0.21 0.00 0.00 0.11 0.20 121.76 118.83 3hqk s ALA 97 Ca 0.31 1.56 -0.02 0.00 0.00 0.00 0.00 51.96 53.81 3hqk s ALA 97 Cb -0.13 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.38 3hqk s ALA 97 CO 0.21 -0.33 -0.10 0.50 0.00 0.00 0.00 175.76 176.04 3hqk s ARG 98 N -0.31 3.16 0.84 0.00 3.52 -0.64 -0.58 118.95 124.94 3hqk s ARG 98 Ca -0.05 -0.75 -0.12 0.00 -0.13 0.00 0.00 55.73 54.68 3hqk s ARG 98 Cb -0.03 -2.85 0.10 0.00 -1.56 0.00 0.00 34.95 30.60 3hqk s ARG 98 CO 0.04 -0.23 1.13 -0.48 -0.81 0.00 0.00 175.30 174.95 3hqk s LEU 99 N 1.39 2.35 -0.60 -0.88 0.05 -1.26 -2.58 118.68 117.16 3hqk s LEU 99 Ca 0.05 1.05 -0.23 0.00 0.05 0.00 0.00 54.13 55.04 3hqk s LEU 99 Cb -0.14 -3.53 0.06 0.00 -2.05 0.00 0.00 46.19 40.52 3hqk s LEU 99 CO -0.07 -2.15 0.93 -1.81 -0.55 0.00 0.00 176.35 172.70 3hqk s ASP 100 N -4.12 6.25 0.00 1.48 1.01 -1.04 -4.76 116.67 115.50 3hqk s ASP 100 Ca 0.62 -0.69 0.00 0.00 0.71 0.00 0.00 52.55 53.19 3hqk s ASP 100 Cb -0.14 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.38 3hqk s ASP 100 CO 0.53 -1.30 0.00 0.61 0.21 0.00 0.00 175.17 175.22 3hqk n GLY 101 N 5.22 -0.79 3.78 0.21 0.00 -1.26 -4.29 105.19 108.06 3hqk n GLY 101 Ca -0.01 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.12 3hqk n GLY 101 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hqk n ASN 102 N -1.33 -3.17 -3.94 1.61 4.13 -1.26 -3.55 115.26 107.75 3hqk n ASN 102 Ca 0.00 -0.78 -0.09 0.00 1.68 0.00 0.00 54.58 55.39 3hqk n ASN 102 Cb 0.00 -4.08 -0.10 0.00 -1.54 0.00 0.00 39.78 34.07 3hqk n ASN 102 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3hqk s TYR 103 N -3.47 0.21 0.00 3.10 1.51 -1.26 -5.16 117.35 112.28 3hqk s TYR 103 Ca 0.34 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 3hqk s TYR 103 Cb -0.17 -0.16 0.00 0.00 -0.11 0.00 0.00 41.96 41.53 3hqk s TYR 103 CO 0.81 -0.34 0.00 0.41 -1.11 0.00 0.00 175.55 175.32 3hqk n GLY 104 N 0.87 0.00 2.48 0.71 0.00 -1.23 -4.95 105.19 103.07 3hqk n GLY 104 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 3hqk n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqk n GLY 105 N 0.66 0.49 3.07 -0.02 0.00 -1.26 -4.96 105.19 103.16 3hqk n GLY 105 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 3hqk n GLY 105 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hqk s TRP 106 N 0.10 1.76 0.23 1.61 1.48 -1.26 -5.06 118.94 117.81 3hqk s TRP 106 Ca 0.10 -0.71 -0.30 0.00 -1.06 0.00 0.00 56.10 54.13 3hqk s TRP 106 Cb 0.24 -1.26 -0.09 0.00 -1.16 0.00 0.00 33.47 31.20 3hqk s TRP 106 CO -0.06 -0.34 1.29 -0.06 -4.06 0.00 0.00 176.95 173.71 3hqk s PHE 107 N 0.67 3.24 -0.04 1.66 0.08 -1.26 -2.48 117.98 119.85 3hqk s PHE 107 Ca -0.14 1.31 0.01 0.00 0.12 0.00 0.00 56.93 58.23 3hqk s PHE 107 Cb -0.16 -3.59 -0.02 0.00 -0.57 0.00 0.00 43.02 38.68 3hqk s PHE 107 CO 0.04 -1.75 0.05 0.00 -0.10 0.00 0.00 175.22 173.46 3hqk n ALA 108 N 2.11 2.14 -3.71 5.36 0.00 -1.06 -4.88 120.51 120.46 3hqk n ALA 108 Ca 0.04 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 3hqk n ALA 108 Cb 0.43 -0.05 -0.18 0.00 0.00 0.00 0.00 19.45 19.65 3hqk n ALA 108 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hqk s TYR 109 N -1.48 0.32 0.00 0.00 2.02 -1.12 -5.02 117.35 112.06 3hqk s TYR 109 Ca 0.00 0.07 0.04 0.00 -0.37 0.00 0.00 57.07 56.81 3hqk s TYR 109 Cb 0.01 -0.59 -0.03 0.00 -0.40 0.00 0.00 41.96 40.95 3hqk s TYR 109 CO 0.06 -0.23 -0.08 -1.58 -1.57 0.00 0.00 175.55 172.14 3hqk s TRP 110 N 1.95 2.85 0.89 2.71 0.52 -1.26 -1.62 118.94 124.97 3hqk s TRP 110 Ca 0.03 -0.06 -0.11 0.00 0.02 0.00 0.00 56.10 55.98 3hqk s TRP 110 Cb -0.12 -1.60 0.12 0.00 -1.15 0.00 0.00 33.47 30.72 3hqk s TRP 110 CO -0.04 0.35 1.09 0.20 0.02 0.00 0.00 176.95 178.58 3hqk s GLY 111 N -1.36 1.63 0.00 0.98 0.00 0.54 -4.89 107.32 104.22 3hqk s GLY 111 Ca 0.16 0.06 0.29 0.00 0.00 0.00 0.00 44.72 45.24 3hqk s GLY 111 CO 0.07 0.53 1.90 0.61 0.00 0.00 0.00 173.10 176.21 3hqk n GLN 112 N -3.89 0.18 0.00 2.90 0.00 -1.26 -4.73 117.38 110.57 3hqk n GLN 112 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 57.00 57.05 3hqk n GLN 112 Cb 0.54 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.28 3hqk n GLN 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hqk n GLY 113 N 1.42 1.95 2.65 2.61 0.00 -1.26 -5.04 105.19 107.52 3hqk n GLY 113 Ca 0.09 -1.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.05 3hqk n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hqk s THR 114 N -2.59 0.12 0.16 2.61 2.01 -0.61 -4.68 115.64 112.66 3hqk s THR 114 Ca 0.00 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 3hqk s THR 114 Cb 0.00 -0.72 -0.07 0.00 0.01 0.00 0.00 72.50 71.72 3hqk s THR 114 CO 0.00 -0.25 1.09 -0.55 -0.69 0.00 0.00 174.62 174.21 3hqk s SER 115 N 2.04 7.29 -0.36 3.53 0.15 -1.26 -2.18 113.70 122.90 3hqk s SER 115 Ca 0.01 2.04 0.01 0.00 0.70 0.00 0.00 55.95 58.70 3hqk s SER 115 Cb -0.16 -2.60 0.11 0.00 -1.71 0.00 0.00 66.02 61.66 3hqk s SER 115 CO -0.09 -0.22 0.14 -0.69 1.20 0.00 0.00 173.24 173.59 3hqk s VAL 116 N -0.09 1.22 0.50 4.45 1.01 -1.26 -4.03 120.40 122.20 3hqk s VAL 116 Ca 0.50 -1.93 -0.13 0.00 0.00 0.00 0.00 61.98 60.41 3hqk s VAL 116 Cb -0.28 -1.89 -0.06 0.00 0.00 0.00 0.00 36.38 34.14 3hqk s VAL 116 CO 0.34 -0.75 0.92 -0.89 0.00 0.00 0.00 175.10 174.71 3hqk s THR 117 N 1.07 4.66 -0.42 3.92 2.01 -1.26 -1.84 115.64 123.77 3hqk s THR 117 Ca 0.13 0.92 0.09 0.00 0.31 0.00 0.00 61.69 63.13 3hqk s THR 117 Cb -0.20 -3.76 0.35 0.00 0.01 0.00 0.00 72.50 68.90 3hqk s THR 117 CO -0.14 -0.74 1.07 0.55 -0.69 0.00 0.00 174.62 174.67 3hqk n VAL 118 N -1.77 0.03 -4.10 3.82 3.14 -1.26 -2.18 118.33 116.02 3hqk n VAL 118 Ca 0.05 -2.25 -0.24 0.00 -2.96 0.00 0.00 64.34 58.94 3hqk n VAL 118 Cb 0.54 0.99 -0.07 0.00 -1.06 0.00 0.00 33.84 34.24 3hqk n VAL 118 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3hqk s SER 119 N -1.63 4.52 0.12 6.55 0.15 -1.13 -4.27 113.70 118.01 3hqk s SER 119 Ca 0.26 -0.96 0.24 0.00 0.70 0.00 0.00 55.95 56.19 3hqk s SER 119 Cb 0.33 -0.56 0.32 0.00 -1.71 0.00 0.00 66.02 64.40 3hqk s SER 119 CO -0.06 -0.45 1.30 0.28 1.20 0.00 0.00 173.24 175.51 3hqk h SER 120 N 1.47 0.00 -4.11 5.45 0.02 -1.95 -3.35 113.55 111.08 3hqk h SER 120 Ca -0.43 -0.21 -0.55 0.00 -0.84 0.00 0.00 61.79 59.76 3hqk h SER 120 Cb 1.25 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.95 3hqk h SER 120 CO 0.67 0.10 0.50 0.00 -1.14 0.00 0.00 176.83 176.96 3hqk s ALA 121 N -3.18 2.37 0.35 3.77 0.00 -1.26 -4.96 121.76 118.85 3hqk s ALA 121 Ca 0.06 1.17 -0.19 0.00 0.00 0.00 0.00 51.96 52.99 3hqk s ALA 121 Cb 0.13 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 3hqk s ALA 121 CO 0.73 -1.58 0.84 0.21 0.00 0.00 0.00 175.76 175.96 3hqk s LYS 122 N -3.42 4.20 0.67 0.00 2.20 -1.26 -5.02 119.74 117.12 3hqk s LYS 122 Ca 0.81 0.95 -0.17 0.00 -0.36 0.00 0.00 55.97 57.21 3hqk s LYS 122 Cb -0.36 -2.45 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 3hqk s LYS 122 CO 0.39 0.14 0.71 -2.37 -0.36 0.00 0.00 175.35 173.86 3hqk n THR 123 N -0.19 2.50 -3.80 3.43 5.66 -1.26 -4.47 114.28 116.15 3hqk n THR 123 Ca 0.04 -0.43 -0.10 0.00 -3.05 0.00 0.00 64.05 60.51 3hqk n THR 123 Cb 0.53 -0.89 -0.05 0.00 -1.55 0.00 0.00 70.33 68.37 3hqk n THR 123 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3hqk s THR 124 N -1.78 0.05 0.43 1.09 2.01 -1.26 -4.87 115.64 111.31 3hqk s THR 124 Ca 0.70 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.80 3hqk s THR 124 Cb -0.38 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 3hqk s THR 124 CO 0.53 -0.24 0.31 -2.16 -0.69 0.00 0.00 174.62 172.37 3hqk s PRO 125 N -3.89 2.40 0.83 4.92 0.05 -1.26 -4.39 135.00 133.66 3hqk s PRO 125 Ca 0.11 -1.69 -0.12 0.00 0.05 0.00 0.00 61.00 59.34 3hqk s PRO 125 Cb 0.01 -2.21 0.09 0.00 0.05 0.00 0.00 34.50 32.45 3hqk s PRO 125 CO -0.04 -0.20 1.15 -2.14 0.05 0.00 0.00 177.00 175.82 3hqk s PRO 126 N -4.06 1.78 -0.35 0.56 0.02 -1.24 -4.35 135.00 127.36 3hqk s PRO 126 Ca 0.44 0.26 0.01 0.00 0.02 0.00 0.00 61.00 61.74 3hqk s PRO 126 Cb -0.00 -1.92 0.11 0.00 0.02 0.00 0.00 34.50 32.71 3hqk s PRO 126 CO 0.25 -1.75 0.12 -1.12 -0.33 0.00 0.00 177.00 174.17 3hqk s SER 127 N -4.30 4.19 -0.05 2.53 0.01 -0.09 -4.95 113.70 111.03 3hqk s SER 127 Ca 0.62 -2.05 -0.25 0.00 1.31 0.00 0.00 55.95 55.58 3hqk s SER 127 Cb -0.13 -1.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.91 3hqk s SER 127 CO 0.51 -0.37 0.77 -0.69 0.41 0.00 0.00 173.24 173.88 3hqk s VAL 128 N 1.07 5.00 -0.11 3.43 1.01 -1.26 -1.11 120.40 128.42 3hqk s VAL 128 Ca 0.12 1.60 -0.01 0.00 0.00 0.00 0.00 61.98 63.69 3hqk s VAL 128 Cb -0.20 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.11 3hqk s VAL 128 CO -0.14 0.22 -0.04 -0.31 0.00 0.00 0.00 175.10 174.83 3hqk s TYR 129 N 0.90 1.20 0.48 5.22 2.02 -0.97 -4.93 117.35 121.27 3hqk s TYR 129 Ca 0.41 -0.61 -0.23 0.00 -0.37 0.00 0.00 57.07 56.27 3hqk s TYR 129 Cb -0.18 -1.08 -0.08 0.00 -0.40 0.00 0.00 41.96 40.21 3hqk s TYR 129 CO 0.20 -0.48 1.18 -2.30 -1.57 0.00 0.00 175.55 172.58 3hqk n PRO 130 N 5.01 1.58 -3.71 -1.71 -0.02 -1.26 -1.78 135.00 133.10 3hqk n PRO 130 Ca -0.10 0.57 -0.37 0.00 -2.02 0.00 0.00 63.50 61.58 3hqk n PRO 130 Cb 0.49 -2.31 -0.12 0.00 -0.02 0.00 0.00 33.50 31.55 3hqk n PRO 130 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hqk s LEU 131 N -1.81 3.71 -0.18 2.45 1.43 -0.71 -4.79 118.68 118.79 3hqk s LEU 131 Ca 0.66 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 53.38 3hqk s LEU 131 Cb -0.49 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 3hqk s LEU 131 CO 0.54 -0.10 -0.02 0.00 0.23 0.00 0.00 176.35 177.00 3hqk s ALA 132 N 1.61 2.98 0.28 4.21 0.00 -1.26 -2.98 121.76 126.60 3hqk s ALA 132 Ca 0.06 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.90 3hqk s ALA 132 Cb -0.16 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.31 3hqk s ALA 132 CO 0.05 -0.04 0.62 -2.14 0.00 0.00 0.00 175.76 174.25 3hqk s PRO 133 N 0.80 1.73 0.00 0.00 0.02 -1.26 -4.63 135.00 131.67 3hqk s PRO 133 Ca -0.01 -1.15 0.22 0.00 0.02 0.00 0.00 61.00 60.08 3hqk s PRO 133 Cb -0.14 0.55 0.76 0.00 0.02 0.00 0.00 34.50 35.69 3hqk s PRO 133 CO 0.02 -0.77 1.56 1.55 -0.33 0.00 0.00 177.00 179.03 3hqk n VAL 134 N -0.44 0.19 -0.61 3.83 3.14 -1.26 -4.74 118.33 118.44 3hqk n VAL 134 Ca -0.03 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 3hqk n VAL 134 Cb 0.60 0.46 0.00 0.00 -1.06 0.00 0.00 33.84 33.84 3hqk n VAL 134 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hqk n GLY 136 N -2.00 5.88 3.64 0.00 0.00 -1.26 -5.04 105.19 106.41 3hqk n GLY 136 Ca 0.00 -2.63 -0.53 0.00 0.00 0.00 0.00 46.02 42.86 3hqk n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hqk n ASP 137 N -0.24 2.07 0.00 1.61 8.00 -1.26 -3.02 116.55 123.71 3hqk n ASP 137 Ca 0.44 1.10 0.00 0.00 0.71 0.00 0.00 54.79 57.03 3hqk n ASP 137 Cb 0.33 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 3hqk n ASP 137 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3hqk n THR 138 N 3.30 0.00 -0.98 -3.53 -2.24 -1.26 -4.95 114.28 104.61 3hqk n THR 138 Ca 0.21 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.07 3hqk n THR 138 Cb 0.19 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.69 3hqk n THR 138 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hqk n THR 139 N -2.75 2.33 -3.81 4.28 -2.24 -1.17 -4.99 114.28 105.92 3hqk n THR 139 Ca 0.00 -1.83 -0.15 0.00 -2.27 0.00 0.00 64.05 59.80 3hqk n THR 139 Cb 0.00 -0.25 -0.16 0.00 -2.10 0.00 0.00 70.33 67.82 3hqk n THR 139 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hqk s GLY 140 N -1.82 0.12 0.29 3.38 0.00 -1.26 -5.02 107.32 102.99 3hqk s GLY 140 Ca 0.43 0.25 0.07 0.00 0.00 0.00 0.00 44.72 45.47 3hqk s GLY 140 CO 0.10 0.60 1.68 0.23 0.00 0.00 0.00 173.10 175.70 3hqk h SER 141 N 7.16 0.23 -4.77 1.64 0.87 -1.96 -3.39 113.55 113.33 3hqk h SER 141 Ca -0.43 -0.10 -0.46 0.00 -1.23 0.00 0.00 61.79 59.57 3hqk h SER 141 Cb 1.13 -0.07 -0.14 0.00 -0.44 0.00 0.00 62.40 62.89 3hqk h SER 141 CO 0.48 0.66 -0.53 -0.94 -0.53 0.00 0.00 176.83 175.97 3hqk s SER 142 N -6.88 1.80 -0.27 6.23 1.04 -1.26 -2.71 113.70 111.65 3hqk s SER 142 Ca -0.04 -1.64 -0.20 0.00 0.48 0.00 0.00 55.95 54.55 3hqk s SER 142 Cb 0.13 0.47 0.07 0.00 0.10 0.00 0.00 66.02 66.79 3hqk s SER 142 CO 0.77 -0.95 0.70 -0.69 0.98 0.00 0.00 173.24 174.05 3hqk s VAL 143 N -3.49 -0.00 -0.31 5.02 1.01 0.23 -4.59 120.40 118.27 3hqk s VAL 143 Ca 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.24 3hqk s VAL 143 Cb 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.43 3hqk s VAL 143 CO 0.20 0.00 0.12 -0.89 0.00 0.00 0.00 175.10 174.53 3hqk s THR 144 N 1.03 4.27 -0.02 3.92 2.01 -1.26 -2.10 115.64 123.49 3hqk s THR 144 Ca -0.05 -0.61 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 3hqk s THR 144 Cb -0.05 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 3hqk s THR 144 CO -0.10 0.04 0.09 -1.48 -0.69 0.00 0.00 174.62 172.49 3hqk s LEU 145 N 1.55 3.98 0.55 4.42 0.05 -1.06 -4.76 118.68 123.41 3hqk s LEU 145 Ca 0.03 0.21 0.09 0.00 0.05 0.00 0.00 54.13 54.50 3hqk s LEU 145 Cb -0.17 -2.26 0.07 0.00 -2.05 0.00 0.00 46.19 41.77 3hqk s LEU 145 CO 0.04 0.29 0.68 -0.83 -0.55 0.00 0.00 176.35 175.98 3hqk s GLY 146 N -1.62 1.90 -0.15 -3.48 0.00 -1.16 -2.47 107.32 100.35 3hqk s GLY 146 Ca 0.22 -1.91 -0.07 0.00 0.00 0.00 0.00 44.72 42.96 3hqk s GLY 146 CO 0.13 -1.73 0.33 0.00 0.00 0.00 0.00 173.10 171.82 3hqk s LEU 148 N 1.71 3.85 -0.33 0.00 0.20 -0.73 -1.70 118.68 121.68 3hqk s LEU 148 Ca -0.06 -0.28 0.03 0.00 0.69 0.00 0.00 54.13 54.51 3hqk s LEU 148 Cb -0.10 -2.47 0.16 0.00 -0.43 0.00 0.00 46.19 43.35 3hqk s LEU 148 CO -0.11 -0.25 0.42 0.54 -0.29 0.00 0.00 176.35 176.66 3hqk s VAL 149 N -2.18 -0.58 0.11 1.68 0.11 -0.86 -2.29 120.40 116.39 3hqk s VAL 149 Ca 0.39 -0.47 0.04 0.00 -2.93 0.00 0.00 61.98 59.01 3hqk s VAL 149 Cb -0.08 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 3hqk s VAL 149 CO 0.28 -0.35 0.09 -0.75 -3.33 0.00 0.00 175.10 171.04 3hqk s LYS 150 N 2.14 2.86 -0.09 1.54 2.20 -0.27 -1.36 119.74 126.76 3hqk s LYS 150 Ca 0.12 -0.77 -0.03 0.00 -0.36 0.00 0.00 55.97 54.93 3hqk s LYS 150 Cb -0.12 -2.68 0.01 0.00 -1.51 0.00 0.00 37.83 33.53 3hqk s LYS 150 CO -0.20 0.53 0.07 0.41 -0.36 0.00 0.00 175.35 175.80 3hqk n GLY 151 N 0.16 -3.74 3.56 5.54 0.00 -1.25 -0.91 105.19 108.54 3hqk n GLY 151 Ca -0.09 0.35 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 3hqk n GLY 151 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hqk s TYR 152 N -0.40 -0.22 0.00 1.61 -0.85 -1.19 -3.66 117.35 112.64 3hqk s TYR 152 Ca -0.08 0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.60 3hqk s TYR 152 Cb 0.01 0.53 0.00 0.00 0.38 0.00 0.00 41.96 42.87 3hqk s TYR 152 CO 0.32 -0.35 0.00 0.34 -1.52 0.00 0.00 175.55 174.34 3hqk n PHE 153 N -0.16 0.00 -2.82 -3.49 7.35 -1.26 0.12 117.46 117.20 3hqk n PHE 153 Ca -0.03 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.23 3hqk n PHE 153 Cb 0.60 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.39 3hqk n PHE 153 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3hqk s PRO 154 N -0.82 3.61 0.15 -7.13 0.02 -1.26 -4.92 135.00 124.65 3hqk s PRO 154 Ca 0.00 0.27 -0.27 0.00 0.02 0.00 0.00 61.00 61.02 3hqk s PRO 154 Cb 0.00 -3.89 -0.00 0.00 0.02 0.00 0.00 34.50 30.62 3hqk s PRO 154 CO 0.00 -1.15 1.57 1.49 -0.33 0.00 0.00 177.00 178.58 3hqk h GLU 155 N 8.92 -0.31 -6.34 5.54 4.22 -1.93 -3.44 114.58 121.25 3hqk h GLU 155 Ca -0.24 0.02 -0.55 0.00 0.08 0.00 0.00 59.36 58.67 3hqk h GLU 155 Cb 1.08 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3hqk h GLU 155 CO 1.01 -0.21 0.72 -2.14 -2.18 0.00 0.00 179.01 176.22 3hqk s PRO 156 N -5.85 4.34 0.16 0.92 0.02 -1.26 -5.04 135.00 128.30 3hqk s PRO 156 Ca -0.15 1.75 0.01 0.00 0.02 0.00 0.00 61.00 62.63 3hqk s PRO 156 Cb 0.12 -3.55 -0.00 0.00 0.02 0.00 0.00 34.50 31.09 3hqk s PRO 156 CO 0.65 -0.47 0.03 0.28 -0.33 0.00 0.00 177.00 177.16 3hqk n VAL 157 N 4.58 0.00 -2.78 3.83 0.31 -1.26 -4.00 118.33 119.01 3hqk n VAL 157 Ca 0.11 -0.84 -0.08 0.00 -0.01 0.00 0.00 64.34 63.52 3hqk n VAL 157 Cb 0.46 0.24 0.03 0.00 -0.91 0.00 0.00 33.84 33.65 3hqk n VAL 157 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3hqk n THR 158 N -0.39 -0.05 -2.11 2.52 -1.04 -0.38 -4.91 114.28 107.92 3hqk n THR 158 Ca -0.05 -1.45 -0.38 0.00 -2.04 0.00 0.00 64.05 60.13 3hqk n THR 158 Cb 0.22 1.16 0.00 0.00 -1.82 0.00 0.00 70.33 69.89 3hqk n THR 158 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3hqk s VAL 159 N 0.68 2.78 -0.29 12.58 1.01 -1.26 -2.52 120.40 133.38 3hqk s VAL 159 Ca 0.31 0.62 -0.15 0.00 0.00 0.00 0.00 61.98 62.77 3hqk s VAL 159 Cb 0.15 -3.34 0.11 0.00 0.00 0.00 0.00 36.38 33.31 3hqk s VAL 159 CO -0.18 0.03 0.79 -0.89 0.00 0.00 0.00 175.10 174.85 3hqk s THR 160 N -1.40 -0.21 -0.53 3.92 2.01 -1.18 -4.93 115.64 113.32 3hqk s THR 160 Ca 0.62 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 62.43 3hqk s THR 160 Cb -0.34 -1.00 0.07 0.00 0.01 0.00 0.00 72.50 71.24 3hqk s THR 160 CO 0.42 0.00 0.64 0.26 -0.69 0.00 0.00 174.62 175.25 3hqk s TRP 161 N 1.84 3.04 -0.87 4.92 0.52 -1.26 0.82 118.94 127.96 3hqk s TRP 161 Ca -0.08 -0.67 -0.01 0.00 0.02 0.00 0.00 56.10 55.36 3hqk s TRP 161 Cb -0.06 -3.67 -0.01 0.00 -1.15 0.00 0.00 33.47 28.59 3hqk s TRP 161 CO -0.18 -1.10 0.73 0.09 0.02 0.00 0.00 176.95 176.50 3hqk n ASN 162 N 6.20 -2.61 -4.10 2.95 4.13 -0.11 -2.15 115.26 119.55 3hqk n ASN 162 Ca -0.08 -0.47 -0.33 0.00 1.68 0.00 0.00 54.58 55.38 3hqk n ASN 162 Cb 0.44 -3.92 -0.01 0.00 -1.54 0.00 0.00 39.78 34.75 3hqk n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3hqk n SER 163 N -2.60 -3.38 -2.69 6.41 7.64 -1.26 -2.43 113.62 115.30 3hqk n SER 163 Ca -0.19 -0.94 -0.12 0.00 1.01 0.00 0.00 58.87 58.63 3hqk n SER 163 Cb 0.62 -3.12 0.06 0.00 -1.01 0.00 0.00 64.21 60.76 3hqk n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hqk n GLY 164 N -1.55 -0.12 0.00 0.23 0.00 -1.16 -4.89 105.19 97.70 3hqk n GLY 164 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3hqk n GLY 164 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hqk n SER 165 N -2.48 2.38 -4.41 1.61 7.64 -1.02 -4.74 113.62 112.60 3hqk n SER 165 Ca -0.20 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.23 3hqk n SER 165 Cb 0.62 0.39 -0.02 0.00 -1.01 0.00 0.00 64.21 64.19 3hqk n SER 165 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3hqk s LEU 166 N -1.79 5.61 -0.05 -3.43 2.96 -0.92 -4.76 118.68 116.31 3hqk s LEU 166 Ca 0.00 -2.35 0.08 0.00 -0.22 0.00 0.00 54.13 51.65 3hqk s LEU 166 Cb 0.00 -2.34 -0.12 0.00 0.50 0.00 0.00 46.19 44.23 3hqk s LEU 166 CO 0.00 -0.87 0.11 -1.54 -1.32 0.00 0.00 176.35 172.73 3hqk n SER 167 N 5.59 2.91 -4.57 3.68 3.41 -1.26 -4.23 113.62 119.15 3hqk n SER 167 Ca 0.22 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.54 3hqk n SER 167 Cb 0.48 1.06 0.17 0.00 -0.26 0.00 0.00 64.21 65.66 3hqk n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hqk s SER 168 N -3.55 2.80 -0.38 4.04 0.01 -1.26 -4.01 113.70 111.35 3hqk s SER 168 Ca -0.04 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.15 3hqk s SER 168 Cb 0.04 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.82 3hqk s SER 168 CO 0.36 -2.99 0.00 0.61 0.41 0.00 0.00 173.24 171.63 3hqk n GLY 169 N -1.78 0.34 3.56 3.44 0.00 -1.26 -4.60 105.19 104.88 3hqk n GLY 169 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3hqk n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hqk s VAL 170 N -1.12 4.44 -0.19 1.61 0.11 -1.26 -2.07 120.40 121.92 3hqk s VAL 170 Ca 0.00 -0.15 -0.02 0.00 -2.93 0.00 0.00 61.98 58.88 3hqk s VAL 170 Cb 0.00 -3.00 -0.00 0.00 -1.53 0.00 0.00 36.38 31.85 3hqk s VAL 170 CO 0.00 0.44 -0.10 -1.00 -3.33 0.00 0.00 175.10 171.11 3hqk s HIS 171 N 0.64 2.88 -0.11 1.54 3.76 -0.62 -4.97 115.29 118.42 3hqk s HIS 171 Ca 0.02 -1.04 0.01 0.00 -0.15 0.00 0.00 55.06 53.90 3hqk s HIS 171 Cb -0.13 -2.00 -0.02 0.00 1.11 0.00 0.00 32.58 31.53 3hqk s HIS 171 CO 0.02 -0.54 -0.14 0.99 -0.85 0.00 0.00 174.74 174.22 3hqk s THR 172 N 1.19 2.99 0.09 1.30 2.01 -1.26 -0.71 115.64 121.25 3hqk s THR 172 Ca 0.02 -0.70 -0.14 0.00 0.31 0.00 0.00 61.69 61.19 3hqk s THR 172 Cb -0.14 -2.23 -0.06 0.00 0.01 0.00 0.00 72.50 70.07 3hqk s THR 172 CO -0.04 0.54 0.48 -0.36 -0.69 0.00 0.00 174.62 174.55 3hqk s PHE 173 N 0.10 3.65 0.42 4.92 2.99 -1.01 -5.00 117.98 124.04 3hqk s PHE 173 Ca -0.06 0.98 -0.26 0.00 0.00 0.00 0.00 56.93 57.59 3hqk s PHE 173 Cb -0.15 -2.30 -0.09 0.00 0.00 0.00 0.00 43.02 40.49 3hqk s PHE 173 CO 0.05 0.52 1.35 -2.14 -0.00 0.00 0.00 175.22 175.00 3hqk s PRO 174 N -1.67 3.87 0.37 0.24 0.02 -1.26 -4.25 135.00 132.32 3hqk s PRO 174 Ca 0.32 2.26 -0.28 0.00 0.02 0.00 0.00 61.00 63.32 3hqk s PRO 174 Cb -0.15 -2.73 -0.10 0.00 0.02 0.00 0.00 34.50 31.54 3hqk s PRO 174 CO 0.18 -0.61 1.39 0.00 -0.33 0.00 0.00 177.00 177.63 3hqk s ALA 175 N -1.24 3.49 0.08 -1.55 0.00 -1.26 -4.78 121.76 116.49 3hqk s ALA 175 Ca 0.58 1.41 0.08 0.00 0.00 0.00 0.00 51.96 54.03 3hqk s ALA 175 Cb -0.40 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.14 3hqk s ALA 175 CO 0.52 -0.88 -0.22 0.08 0.00 0.00 0.00 175.76 175.26 3hqk s VAL 176 N -1.15 1.77 -0.01 0.00 1.01 -0.77 -4.90 120.40 116.35 3hqk s VAL 176 Ca 0.52 -1.41 0.02 0.00 0.00 0.00 0.00 61.98 61.11 3hqk s VAL 176 Cb -0.43 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.38 3hqk s VAL 176 CO 0.57 0.09 -0.05 -1.48 0.00 0.00 0.00 175.10 174.23 3hqk s LEU 177 N -1.57 1.84 -0.03 3.92 2.34 -1.26 -0.20 118.68 123.72 3hqk s LEU 177 Ca 0.08 -0.11 0.04 0.00 0.06 0.00 0.00 54.13 54.20 3hqk s LEU 177 Cb -0.09 -0.33 -0.06 0.00 -0.56 0.00 0.00 46.19 45.15 3hqk s LEU 177 CO 0.03 0.04 0.05 0.00 -1.06 0.00 0.00 176.35 175.42 3hqk n GLN 178 N 3.21 1.82 -2.76 1.48 0.00 -1.25 -4.85 117.38 115.04 3hqk n GLN 178 Ca -0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 57.00 56.76 3hqk n GLN 178 Cb 0.56 -1.11 0.02 0.00 0.00 0.00 0.00 30.24 29.72 3hqk n GLN 178 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3hqk n SER 179 N -1.92 -3.26 -3.17 2.61 2.88 -1.26 -4.93 113.62 104.57 3hqk n SER 179 Ca -0.04 -3.04 -0.17 0.00 -1.33 0.00 0.00 58.87 54.28 3hqk n SER 179 Cb 0.39 1.78 -0.02 0.00 -0.75 0.00 0.00 64.21 65.62 3hqk n SER 179 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3hqk n ASP 180 N 2.48 -2.46 -3.67 -3.46 9.92 -1.26 -4.91 116.55 113.20 3hqk n ASP 180 Ca 0.15 -0.17 -0.15 0.00 -0.53 0.00 0.00 54.79 54.09 3hqk n ASP 180 Cb 0.59 -2.12 -0.14 0.00 -0.64 0.00 0.00 41.12 38.80 3hqk n ASP 180 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3hqk s LEU 181 N -6.00 -0.17 -0.23 0.64 1.02 -1.26 -4.53 118.68 108.14 3hqk s LEU 181 Ca 0.29 0.46 -0.29 0.00 0.02 0.00 0.00 54.13 54.61 3hqk s LEU 181 Cb -0.16 0.48 0.00 0.00 0.02 0.00 0.00 46.19 46.53 3hqk s LEU 181 CO 0.36 -0.24 1.14 -0.31 0.02 0.00 0.00 176.35 177.32 3hqk s TYR 182 N 2.33 3.08 -0.06 0.29 2.02 0.33 -3.74 117.35 121.60 3hqk s TYR 182 Ca 0.02 1.22 0.03 0.00 -0.37 0.00 0.00 57.07 57.96 3hqk s TYR 182 Cb -0.12 -3.48 -0.02 0.00 -0.40 0.00 0.00 41.96 37.93 3hqk s TYR 182 CO -0.07 -1.04 -0.13 -0.08 -1.57 0.00 0.00 175.55 172.66 3hqk s THR 183 N 3.50 3.15 -0.02 -0.71 -1.32 0.72 -3.15 115.64 117.81 3hqk s THR 183 Ca 0.49 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 3hqk s THR 183 Cb -0.17 -2.25 0.03 0.00 -1.51 0.00 0.00 72.50 68.59 3hqk s THR 183 CO 0.12 0.58 0.02 -0.22 -2.21 0.00 0.00 174.62 172.92 3hqk s LEU 184 N -0.59 1.19 0.47 9.08 0.20 -0.46 -1.85 118.68 126.72 3hqk s LEU 184 Ca 0.08 0.03 0.08 0.00 0.69 0.00 0.00 54.13 55.02 3hqk s LEU 184 Cb -0.11 -0.07 0.03 0.00 -0.43 0.00 0.00 46.19 45.61 3hqk s LEU 184 CO 0.01 -0.11 0.64 -0.44 -0.29 0.00 0.00 176.35 176.16 3hqk s SER 185 N 0.94 5.48 -0.12 3.68 0.01 -1.26 -2.04 113.70 120.40 3hqk s SER 185 Ca -0.08 -0.53 -0.33 0.00 1.31 0.00 0.00 55.95 56.33 3hqk s SER 185 Cb -0.11 -0.39 0.13 0.00 0.21 0.00 0.00 66.02 65.85 3hqk s SER 185 CO -0.03 -0.94 1.13 -0.55 0.41 0.00 0.00 173.24 173.26 3hqk s SER 186 N -4.44 -0.19 0.07 2.44 0.15 -0.69 -2.41 113.70 108.62 3hqk s SER 186 Ca 0.57 -0.03 -0.14 0.00 0.70 0.00 0.00 55.95 57.05 3hqk s SER 186 Cb -0.09 0.22 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 3hqk s SER 186 CO 0.35 -0.36 0.33 -0.94 1.20 0.00 0.00 173.24 173.82 3hqk s SER 187 N -2.36 -0.14 -0.00 5.45 1.04 0.12 -1.32 113.70 116.48 3hqk s SER 187 Ca 0.09 -0.24 -0.20 0.00 0.48 0.00 0.00 55.95 56.08 3hqk s SER 187 Cb -0.00 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.55 3hqk s SER 187 CO -0.05 -0.69 0.43 0.54 0.98 0.00 0.00 173.24 174.45 3hqk s VAL 188 N -2.97 0.04 0.03 5.02 0.11 -1.03 -1.59 120.40 120.02 3hqk s VAL 188 Ca -0.02 -0.36 0.05 0.00 -2.93 0.00 0.00 61.98 58.72 3hqk s VAL 188 Cb 0.00 -0.82 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 3hqk s VAL 188 CO -0.06 -0.20 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.47 3hqk s THR 189 N -1.70 1.21 0.20 5.04 2.01 -0.88 -2.58 115.64 118.94 3hqk s THR 189 Ca -0.10 -0.97 -0.21 0.00 0.31 0.00 0.00 61.69 60.72 3hqk s THR 189 Cb -0.02 -1.08 0.04 0.00 0.01 0.00 0.00 72.50 71.45 3hqk s THR 189 CO 0.03 0.09 0.60 0.68 -0.69 0.00 0.00 174.62 175.33 3hqk s VAL 190 N -0.76 0.01 0.71 3.82 -7.23 -0.89 -4.64 120.40 111.41 3hqk s VAL 190 Ca 0.03 -0.50 -0.15 0.00 -1.81 0.00 0.00 61.98 59.55 3hqk s VAL 190 Cb -0.08 -1.43 0.03 0.00 0.56 0.00 0.00 36.38 35.46 3hqk s VAL 190 CO 0.01 -0.05 1.18 -2.84 -0.31 0.00 0.00 175.10 173.09 3hqk s PRO 191 N -3.83 2.36 0.31 4.82 0.02 -1.26 0.74 135.00 138.16 3hqk s PRO 191 Ca 0.06 1.65 -0.00 0.00 0.02 0.00 0.00 61.00 62.72 3hqk s PRO 191 Cb -0.02 -1.87 0.50 0.00 0.02 0.00 0.00 34.50 33.13 3hqk s PRO 191 CO -0.05 -1.64 1.96 0.66 -0.33 0.00 0.00 177.00 177.60 3hqk h SER 192 N -0.17 0.89 -0.66 2.53 4.64 -1.70 -2.97 113.55 116.12 3hqk h SER 192 Ca -0.47 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 60.79 3hqk h SER 192 Cb 1.28 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 3hqk h SER 192 CO 0.51 0.63 0.28 0.77 -0.87 0.00 0.00 176.83 178.15 3hqk h SER 193 N 1.05 0.92 -0.32 4.97 4.64 -1.90 -3.27 113.55 119.63 3hqk h SER 193 Ca 0.31 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.42 3hqk h SER 193 Cb -0.04 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.81 3hqk h SER 193 CO -0.08 0.81 -0.14 0.74 -0.87 0.00 0.00 176.83 177.29 3hqk h THR 194 N 0.99 1.29 0.00 2.95 2.02 -1.89 -3.16 112.91 115.11 3hqk h THR 194 Ca 0.23 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3hqk h THR 194 Cb 0.17 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3hqk h THR 194 CO -0.02 0.40 0.00 1.87 0.37 0.00 0.00 175.52 178.14 3hqk n TRP 195 N -4.38 0.00 -0.28 3.16 -0.00 -1.23 -0.06 117.44 114.64 3hqk n TRP 195 Ca -0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.44 3hqk n TRP 195 Cb 0.38 -0.40 -0.00 0.00 -0.00 0.00 0.00 31.31 31.28 3hqk n TRP 195 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 3hqk n PRO 196 N -1.71 -0.21 0.03 5.87 -0.02 -1.25 -1.11 135.00 136.60 3hqk n PRO 196 Ca 0.00 1.08 -0.12 0.00 -2.02 0.00 0.00 63.50 62.45 3hqk n PRO 196 Cb 0.00 -1.61 -0.07 0.00 -0.02 0.00 0.00 33.50 31.81 3hqk n PRO 196 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3hqk h SER 197 N 0.00 0.03 -1.67 2.55 0.02 -1.50 -3.45 113.55 109.53 3hqk h SER 197 Ca 0.20 -0.04 -0.46 0.00 -0.84 0.00 0.00 61.79 60.65 3hqk h SER 197 Cb 0.38 -0.01 0.04 0.00 0.14 0.00 0.00 62.40 62.96 3hqk h SER 197 CO -0.69 0.07 -0.07 -1.61 -1.14 0.00 0.00 176.83 173.38 3hqk s GLU 198 N -6.01 2.32 -0.97 3.45 8.01 0.91 -5.03 118.70 121.37 3hqk s GLU 198 Ca -0.13 -1.22 -0.02 0.00 0.01 0.00 0.00 54.97 53.60 3hqk s GLU 198 Cb 0.06 -2.56 0.29 0.00 -4.31 0.00 0.00 34.13 27.61 3hqk s GLU 198 CO 0.67 -0.85 1.23 0.25 0.01 0.00 0.00 175.26 176.57 3hqk n THR 199 N -2.33 4.41 -1.68 3.63 -2.24 -1.26 -4.74 114.28 110.07 3hqk n THR 199 Ca 0.12 -5.66 -0.42 0.00 -2.27 0.00 0.00 64.05 55.81 3hqk n THR 199 Cb 0.60 -2.15 -0.03 0.00 -2.10 0.00 0.00 70.33 66.65 3hqk n THR 199 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hqk s VAL 200 N -2.48 3.06 0.08 2.28 1.01 -1.26 -4.94 120.40 118.15 3hqk s VAL 200 Ca 0.33 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.45 3hqk s VAL 200 Cb 0.05 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 3hqk s VAL 200 CO 0.04 -0.02 -0.20 0.28 0.00 0.00 0.00 175.10 175.21 3hqk s THR 201 N 5.91 1.59 -0.29 3.92 -1.32 -1.26 -2.87 115.64 121.31 3hqk s THR 201 Ca 0.92 -1.42 -0.05 0.00 -1.21 0.00 0.00 61.69 59.93 3hqk s THR 201 Cb -0.38 -1.44 0.03 0.00 -1.51 0.00 0.00 72.50 69.20 3hqk s THR 201 CO 0.38 -0.03 0.04 0.00 -2.21 0.00 0.00 174.62 172.80 3hqk s ASN 203 N 1.40 6.90 -0.10 0.00 0.01 0.24 -3.21 114.94 120.18 3hqk s ASN 203 Ca -0.00 -2.90 -0.22 0.00 -0.71 0.00 0.00 52.86 49.03 3hqk s ASN 203 Cb -0.18 -2.22 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 3hqk s ASN 203 CO 0.00 -0.52 0.65 -0.69 -1.51 0.00 0.00 177.10 175.03 3hqk s VAL 204 N -0.09 5.07 -0.07 1.60 1.01 -0.96 -3.10 120.40 123.86 3hqk s VAL 204 Ca 0.22 1.31 0.03 0.00 0.00 0.00 0.00 61.98 63.54 3hqk s VAL 204 Cb -0.10 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3hqk s VAL 204 CO -0.09 0.24 -0.18 0.00 0.00 0.00 0.00 175.10 175.08 3hqk s ALA 205 N 0.95 1.69 -0.24 5.51 0.00 -1.05 -2.50 121.76 126.11 3hqk s ALA 205 Ca 0.34 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 3hqk s ALA 205 Cb -0.17 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.32 3hqk s ALA 205 CO 0.15 0.22 -0.07 -1.58 0.00 0.00 0.00 175.76 174.48 3hqk s HIS 206 N 0.41 3.04 0.13 0.00 2.46 -1.16 -1.25 115.29 118.92 3hqk s HIS 206 Ca -0.14 -1.53 -0.14 0.00 0.47 0.00 0.00 55.06 53.72 3hqk s HIS 206 Cb -0.16 -2.05 -0.02 0.00 -0.13 0.00 0.00 32.58 30.22 3hqk s HIS 206 CO 0.06 -0.72 1.57 -1.00 -2.47 0.00 0.00 174.74 172.17 3hqk h PRO 207 N 8.01 0.75 -0.43 2.88 0.13 -1.86 -1.93 132.00 139.54 3hqk h PRO 207 Ca -0.34 -0.25 -0.02 0.00 -0.87 0.00 0.00 66.00 64.52 3hqk h PRO 207 Cb 1.11 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 3hqk h PRO 207 CO 0.58 0.84 0.18 0.00 -0.23 0.00 0.00 178.00 179.37 3hqk h ALA 208 N 0.88 0.56 -0.52 -0.56 0.00 -1.88 -2.38 119.26 115.37 3hqk h ALA 208 Ca 0.11 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3hqk h ALA 208 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hqk h ALA 208 CO 0.03 0.16 0.00 0.66 0.00 0.00 0.00 179.25 180.10 3hqk h SER 209 N 0.56 0.84 0.00 0.00 4.64 -1.77 -3.46 113.55 114.36 3hqk h SER 209 Ca 0.15 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3hqk h SER 209 Cb 0.18 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3hqk h SER 209 CO -0.01 0.90 0.00 -0.24 -0.87 0.00 0.00 176.83 176.61 3hqk n SER 210 N -4.20 -2.59 -4.45 4.97 2.88 -0.73 -5.02 113.62 104.47 3hqk n SER 210 Ca 0.03 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.23 3hqk n SER 210 Cb 0.31 -0.43 -0.13 0.00 -0.75 0.00 0.00 64.21 63.21 3hqk n SER 210 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3hqk s THR 211 N -2.02 3.60 -0.16 2.46 -4.23 -1.18 -5.02 115.64 109.09 3hqk s THR 211 Ca 0.00 -0.46 -0.01 0.00 -1.18 0.00 0.00 61.69 60.04 3hqk s THR 211 Cb 0.00 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 3hqk s THR 211 CO 0.00 0.50 -0.11 -0.75 -0.54 0.00 0.00 174.62 173.72 3hqk s LYS 212 N 0.42 3.35 -0.04 3.99 2.20 -1.26 -2.98 119.74 125.43 3hqk s LYS 212 Ca -0.06 -0.68 0.05 0.00 -0.36 0.00 0.00 55.97 54.93 3hqk s LYS 212 Cb -0.15 -2.75 -0.01 0.00 -1.51 0.00 0.00 37.83 33.42 3hqk s LYS 212 CO 0.04 0.05 -0.19 0.14 -0.36 0.00 0.00 175.35 175.03 3hqk s VAL 213 N 0.77 1.55 -0.52 4.02 -7.23 -1.04 -5.05 120.40 112.91 3hqk s VAL 213 Ca -0.04 -0.80 0.06 0.00 -1.81 0.00 0.00 61.98 59.39 3hqk s VAL 213 Cb -0.15 -1.32 0.23 0.00 0.56 0.00 0.00 36.38 35.71 3hqk s VAL 213 CO 0.01 0.44 0.58 0.47 -0.31 0.00 0.00 175.10 176.30 3hqk n ASP 214 N 2.96 1.72 -4.65 4.85 9.92 -1.26 -2.26 116.55 127.83 3hqk n ASP 214 Ca -0.17 -2.99 -0.35 0.00 -0.53 0.00 0.00 54.79 50.75 3hqk n ASP 214 Cb 0.53 -0.65 0.11 0.00 -0.64 0.00 0.00 41.12 40.46 3hqk n ASP 214 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3hqk n LYS 215 N 1.42 0.37 -4.14 -1.24 4.76 -1.20 -4.76 118.16 113.36 3hqk n LYS 215 Ca 0.25 0.19 -0.30 0.00 -2.87 0.00 0.00 58.31 55.58 3hqk n LYS 215 Cb 0.46 -2.33 -0.08 0.00 -1.84 0.00 0.00 35.03 31.24 3hqk n LYS 215 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3hqk s LYS 216 N -3.72 2.60 -0.40 1.97 2.20 -1.26 -2.05 119.74 119.08 3hqk s LYS 216 Ca 0.73 -0.80 -0.12 0.00 -0.36 0.00 0.00 55.97 55.42 3hqk s LYS 216 Cb -0.32 -2.57 0.03 0.00 -1.51 0.00 0.00 37.83 33.47 3hqk s LYS 216 CO 0.50 0.55 0.26 -1.50 -0.36 0.00 0.00 175.35 174.80 3hqk s ILE 217 N -1.29 4.81 0.01 5.43 1.10 -1.14 -4.75 121.20 125.37 3hqk s ILE 217 Ca 0.25 -0.87 0.02 0.00 -0.51 0.00 0.00 60.65 59.55 3hqk s ILE 217 Cb -0.12 -3.73 -0.01 0.00 0.15 0.00 0.00 42.46 38.76 3hqk s ILE 217 CO 0.18 -0.31 -0.06 -0.69 -2.11 0.00 0.00 174.94 171.94 3hqk s VAL 218 N 1.59 0.48 -2.00 4.00 1.01 -1.26 -4.76 120.40 119.46 3hqk s VAL 218 Ca 0.03 -0.54 0.20 0.00 0.00 0.00 0.00 61.98 61.67 3hqk s VAL 218 Cb -0.20 -0.46 0.58 0.00 0.00 0.00 0.00 36.38 36.30 3hqk s VAL 218 CO 0.07 -0.05 1.60 -0.81 0.00 0.00 0.00 175.10 175.91