#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hk4 h ILE 3 N 0.00 0.99 -0.28 2.28 1.08 -1.99 0.51 117.51 120.10 3hk4 h ILE 3 Ca 0.00 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 3hk4 h ILE 3 Cb 0.00 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 33.86 3hk4 h ILE 3 CO 0.00 0.15 0.16 0.00 -0.69 0.00 0.00 178.15 177.76 3hk4 h ALA 4 N 1.58 0.36 -0.32 1.87 0.00 -1.98 0.31 119.26 121.08 3hk4 h ALA 4 Ca 0.36 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3hk4 h ALA 4 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3hk4 h ALA 4 CO -0.13 -0.11 0.04 0.93 0.00 0.00 0.00 179.25 179.98 3hk4 h GLU 5 N 0.34 0.54 -0.03 0.00 5.08 -1.65 0.10 114.58 118.98 3hk4 h GLU 5 Ca 0.10 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3hk4 h GLU 5 Cb 0.06 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hk4 h GLU 5 CO -0.02 0.65 0.02 0.82 -1.00 0.00 0.00 179.01 179.48 3hk4 h ILE 6 N 0.36 1.01 -0.85 3.13 2.04 -0.79 0.52 117.51 122.93 3hk4 h ILE 6 Ca 0.10 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.97 3hk4 h ILE 6 Cb 0.38 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 3hk4 h ILE 6 CO 0.01 0.01 0.54 0.00 0.00 0.00 0.00 178.15 178.71 3hk4 h ALA 7 N 1.00 1.15 -0.18 1.87 0.00 -0.33 0.07 119.26 122.84 3hk4 h ALA 7 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hk4 h ALA 7 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3hk4 h ALA 7 CO -0.00 0.33 0.07 -0.22 0.00 0.00 0.00 179.25 179.43 3hk4 h LYS 8 N 1.01 0.26 0.01 0.00 3.64 -0.47 -1.53 116.57 119.49 3hk4 h LYS 8 Ca 0.36 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3hk4 h LYS 8 Cb 0.09 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3hk4 h LYS 8 CO -0.15 0.33 -0.00 0.22 -2.27 0.00 0.00 179.45 177.58 3hk4 h ASP 9 N 0.13 -0.01 -0.32 4.20 3.58 -0.51 -1.35 116.42 122.14 3hk4 h ASP 9 Ca 0.06 -0.30 0.07 0.00 0.42 0.00 0.00 57.03 57.28 3hk4 h ASP 9 Cb 0.17 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.15 3hk4 h ASP 9 CO -0.01 0.30 -0.14 0.15 -2.88 0.00 0.00 179.24 176.66 3hk4 h PHE 10 N -0.32 -0.33 -0.67 0.28 3.57 -1.05 -0.06 116.94 118.36 3hk4 h PHE 10 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3hk4 h PHE 10 Cb 0.31 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 3hk4 h PHE 10 CO 0.03 -0.21 0.42 1.15 -2.23 0.00 0.00 178.31 177.47 3hk4 h THR 11 N -0.08 1.18 -0.65 4.41 2.02 -1.18 -1.83 112.91 116.79 3hk4 h THR 11 Ca 0.16 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 3hk4 h THR 11 Cb 0.33 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 3hk4 h THR 11 CO -0.38 0.19 0.40 -0.33 0.37 0.00 0.00 175.52 175.77 3hk4 h GLU 12 N 0.91 0.87 -0.96 6.66 5.08 -0.67 0.17 114.58 126.64 3hk4 h GLU 12 Ca 0.24 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 3hk4 h GLU 12 Cb -0.06 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 28.93 3hk4 h GLU 12 CO -0.05 0.61 0.61 -0.07 -1.00 0.00 0.00 179.01 179.11 3hk4 h LEU 13 N 0.88 0.96 -0.31 1.33 3.38 -0.66 0.05 115.31 120.94 3hk4 h LEU 13 Ca 0.23 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.04 3hk4 h LEU 13 Cb -0.05 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3hk4 h LEU 13 CO -0.05 0.60 -0.53 -0.07 0.09 0.00 0.00 178.44 178.48 3hk4 h LEU 14 N 1.09 0.98 -1.57 1.67 3.38 -0.49 0.20 115.31 120.58 3hk4 h LEU 14 Ca 0.42 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3hk4 h LEU 14 Cb 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3hk4 h LEU 14 CO -0.19 1.32 -0.22 0.11 0.09 0.00 0.00 178.44 179.55 3hk4 h LYS 15 N 0.68 0.00 0.00 1.13 1.57 -0.34 -0.42 116.57 119.19 3hk4 h LYS 15 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3hk4 h LYS 15 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3hk4 h LYS 15 CO 0.12 0.22 0.00 1.04 -0.57 0.00 0.00 179.45 180.26 3hk4 n GLN 16 N -4.20 0.68 -1.15 3.15 6.02 -0.03 -4.88 117.38 116.97 3hk4 n GLN 16 Ca -0.02 0.01 -0.05 0.00 -0.01 0.00 0.00 57.00 56.93 3hk4 n GLN 16 Cb 0.29 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 3hk4 n GLN 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hk4 n GLY 17 N 0.51 0.78 2.75 1.08 0.00 -0.17 -4.97 105.19 105.18 3hk4 n GLY 17 Ca 0.17 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 3hk4 n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hk4 n ASP 18 N 1.16 6.46 -0.09 1.61 2.03 0.67 -4.82 116.55 123.56 3hk4 n ASP 18 Ca -0.05 -3.62 -0.06 0.00 0.52 0.00 0.00 54.79 51.58 3hk4 n ASP 18 Cb 0.17 -1.05 0.01 0.00 -0.72 0.00 0.00 41.12 39.53 3hk4 n ASP 18 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 3hk4 h ASN 19 N 4.23 -0.10 -0.35 1.67 -0.26 -1.87 -1.79 115.58 117.10 3hk4 h ASN 19 Ca 0.38 0.07 -0.06 0.00 -0.56 0.00 0.00 56.30 56.13 3hk4 h ASN 19 Cb 0.43 0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.79 3hk4 h ASN 19 CO 1.13 -0.02 0.02 0.00 -1.06 0.00 0.00 177.43 177.50 3hk4 h ALA 20 N 1.28 1.22 -0.31 -0.83 0.00 -1.96 -1.25 119.26 117.42 3hk4 h ALA 20 Ca 0.16 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3hk4 h ALA 20 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hk4 h ALA 20 CO -0.26 0.52 -0.18 0.78 0.00 0.00 0.00 179.25 180.11 3hk4 h GLY 21 N 0.93 0.72 0.98 0.00 0.00 -1.88 0.17 103.07 103.99 3hk4 h GLY 21 Ca 0.14 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 3hk4 h GLY 21 CO 0.01 0.61 0.28 0.00 0.00 0.00 0.00 176.54 177.44 3hk4 h ALA 22 N 0.75 0.70 -0.21 3.60 0.00 -1.00 -1.22 119.26 121.88 3hk4 h ALA 22 Ca 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hk4 h ALA 22 Cb 0.72 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hk4 h ALA 22 CO 0.05 0.24 0.12 0.00 0.00 0.00 0.00 179.25 179.67 3hk4 h ALA 23 N 1.11 0.27 -0.62 0.00 0.00 -1.14 -1.50 119.26 117.38 3hk4 h ALA 23 Ca 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hk4 h ALA 23 Cb 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hk4 h ALA 23 CO -0.03 -0.22 0.29 1.49 0.00 0.00 0.00 179.25 180.79 3hk4 h GLU 24 N 0.25 0.89 -0.41 0.00 4.57 -0.69 -0.52 114.58 118.66 3hk4 h GLU 24 Ca 0.07 -0.13 -0.14 0.00 -1.18 0.00 0.00 59.36 57.98 3hk4 h GLU 24 Cb 0.03 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 3hk4 h GLU 24 CO -0.01 0.72 -0.29 -0.22 -1.18 0.00 0.00 179.01 178.03 3hk4 h LYS 25 N 0.85 0.92 0.00 1.92 3.64 -1.18 -3.39 116.57 119.33 3hk4 h LYS 25 Ca 0.21 -0.44 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 3hk4 h LYS 25 Cb 0.13 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3hk4 h LYS 25 CO -0.03 1.10 -1.59 0.66 -2.27 0.00 0.00 179.45 177.33 3hk4 n TYR 26 N -4.13 0.00 -2.13 1.91 4.01 -0.57 -5.00 117.16 111.25 3hk4 n TYR 26 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 3hk4 n TYR 26 Cb 0.49 -0.31 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 3hk4 n TYR 26 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3hk4 s ASN 27 N -3.53 6.80 0.64 7.72 0.01 -0.22 -0.20 114.94 126.16 3hk4 s ASN 27 Ca -0.05 2.59 -0.14 0.00 -0.71 0.00 0.00 52.86 54.56 3hk4 s ASN 27 Cb 0.07 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 3hk4 s ASN 27 CO 0.51 -0.55 1.07 0.00 -1.51 0.00 0.00 177.10 176.61 3hk4 s ALA 28 N -0.56 2.65 0.43 0.60 0.00 0.61 -4.73 121.76 120.76 3hk4 s ALA 28 Ca 0.53 0.33 0.17 0.00 0.00 0.00 0.00 51.96 52.98 3hk4 s ALA 28 Cb -0.39 -3.23 1.08 0.00 0.00 0.00 0.00 23.12 20.58 3hk4 s ALA 28 CO 0.46 -1.05 1.90 -0.44 0.00 0.00 0.00 175.76 176.63 3hk4 h ASP 29 N -0.03 0.38 -0.43 0.00 3.32 -1.94 -1.53 116.42 116.20 3hk4 h ASP 29 Ca -0.46 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.47 3hk4 h ASP 29 Cb 1.22 -0.05 -0.09 0.00 0.22 0.00 0.00 39.33 40.64 3hk4 h ASP 29 CO 0.56 0.18 0.06 -0.90 -1.72 0.00 0.00 179.24 177.43 3hk4 n ASP 30 N -4.48 3.43 -4.58 6.45 5.75 -1.26 -0.35 116.55 121.51 3hk4 n ASP 30 Ca 0.16 -3.41 -0.47 0.00 -0.01 0.00 0.00 54.79 51.06 3hk4 n ASP 30 Cb 0.60 -0.64 -0.03 0.00 -1.03 0.00 0.00 41.12 40.02 3hk4 n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hk4 n ILE 31 N -0.77 1.39 -4.25 2.12 3.06 -0.57 -4.25 119.36 116.10 3hk4 n ILE 31 Ca 0.32 -0.35 -0.34 0.00 -2.50 0.00 0.00 62.75 59.88 3hk4 n ILE 31 Cb 1.09 -0.89 -0.12 0.00 0.54 0.00 0.00 39.64 40.26 3hk4 n ILE 31 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hk4 s ALA 32 N -0.57 3.10 -0.11 1.51 0.00 -0.86 -0.43 121.76 124.40 3hk4 s ALA 32 Ca 0.67 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.82 3hk4 s ALA 32 Cb -0.79 -1.68 0.01 0.00 0.00 0.00 0.00 23.12 20.66 3hk4 s ALA 32 CO 0.55 0.14 -0.19 0.45 0.00 0.00 0.00 175.76 176.71 3hk4 s SER 33 N 0.48 2.68 -0.20 0.00 0.15 0.12 -1.35 113.70 115.59 3hk4 s SER 33 Ca -0.01 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.16 3hk4 s SER 33 Cb -0.14 -1.23 0.04 0.00 -1.71 0.00 0.00 66.02 62.99 3hk4 s SER 33 CO 0.02 0.08 -0.12 -0.31 1.20 0.00 0.00 173.24 174.11 3hk4 s TYR 34 N 0.70 2.56 0.40 3.44 2.02 -0.26 -1.27 117.35 124.95 3hk4 s TYR 34 Ca -0.12 -1.68 -0.14 0.00 -0.37 0.00 0.00 57.07 54.76 3hk4 s TYR 34 Cb -0.16 -1.71 -0.08 0.00 -0.40 0.00 0.00 41.96 39.61 3hk4 s TYR 34 CO 0.02 -0.77 0.82 -1.21 -1.57 0.00 0.00 175.55 172.85 3hk4 s GLU 35 N 1.35 3.92 0.00 -0.62 0.41 0.52 -1.30 118.70 122.98 3hk4 s GLU 35 Ca -0.01 0.68 0.01 0.00 -0.41 0.00 0.00 54.97 55.24 3hk4 s GLU 35 Cb -0.16 -2.33 0.03 0.00 -1.78 0.00 0.00 34.13 29.89 3hk4 s GLU 35 CO -0.09 -0.03 0.39 0.00 -0.49 0.00 0.00 175.26 175.05 3hk4 n ALA 36 N -1.02 1.86 -2.73 5.21 0.00 -1.16 -4.87 120.51 117.79 3hk4 n ALA 36 Ca 0.04 -0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 3hk4 n ALA 36 Cb 0.54 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.89 3hk4 n ALA 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hk4 s GLU 38 N -2.00 3.04 0.00 0.00 2.12 -1.26 -5.05 118.70 115.55 3hk4 s GLU 38 Ca 0.01 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 54.94 3hk4 s GLU 38 Cb 0.00 -2.85 0.00 0.00 0.26 0.00 0.00 34.13 31.55 3hk4 s GLU 38 CO 0.01 0.70 0.00 0.41 -0.54 0.00 0.00 175.26 175.83 3hk4 n GLY 39 N 1.90 0.22 0.41 -1.50 0.00 -1.26 -4.98 105.19 99.98 3hk4 n GLY 39 Ca -0.18 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3hk4 n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hk4 n PRO 40 N -0.31 0.00 0.00 1.61 -0.02 -1.26 -4.73 135.00 130.29 3hk4 n PRO 40 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hk4 n PRO 40 Cb 0.00 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 3hk4 n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hk4 n ALA 42 N 0.29 0.00 -3.22 3.55 0.00 -1.26 -5.14 120.51 114.72 3hk4 n ALA 42 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3hk4 n ALA 42 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 3hk4 n ALA 42 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hk4 s VAL 43 N 0.00 1.89 -0.01 0.00 1.01 -1.26 -0.36 120.40 121.67 3hk4 s VAL 43 Ca 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.10 3hk4 s VAL 43 Cb 0.00 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 3hk4 s VAL 43 CO 0.00 0.52 -0.13 -0.55 0.00 0.00 0.00 175.10 174.94 3hk4 s SER 44 N 0.35 1.51 -0.07 3.32 0.15 -0.39 -4.99 113.70 113.59 3hk4 s SER 44 Ca -0.17 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.28 3hk4 s SER 44 Cb -0.17 -0.17 0.01 0.00 -1.71 0.00 0.00 66.02 63.98 3hk4 s SER 44 CO 0.08 0.16 -0.15 -1.00 1.20 0.00 0.00 173.24 173.52 3hk4 s HIS 45 N -0.30 1.68 0.00 3.44 3.76 -1.26 -0.70 115.29 121.91 3hk4 s HIS 45 Ca 0.05 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.35 3hk4 s HIS 45 Cb -0.05 -1.18 0.00 0.00 1.11 0.00 0.00 32.58 32.46 3hk4 s HIS 45 CO -0.00 -0.27 0.00 0.41 -0.85 0.00 0.00 174.74 174.02 3hk4 n GLY 46 N 3.60 3.23 0.22 -2.22 0.00 0.43 -4.67 105.19 105.78 3hk4 n GLY 46 Ca -0.21 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 3hk4 n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hk4 h LYS 47 N 0.00 0.74 -0.03 1.61 3.64 -0.87 -2.22 116.57 119.44 3hk4 h LYS 47 Ca 0.00 -0.29 -0.21 0.00 -1.27 0.00 0.00 60.65 58.88 3hk4 h LYS 47 Cb 0.00 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3hk4 h LYS 47 CO 0.00 0.89 -0.85 1.49 -2.27 0.00 0.00 179.45 178.71 3hk4 h GLU 48 N 0.54 0.40 -0.44 1.90 4.57 -1.92 -1.52 114.58 118.11 3hk4 h GLU 48 Ca 0.09 -0.39 0.01 0.00 -1.18 0.00 0.00 59.36 57.90 3hk4 h GLU 48 Cb 0.63 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 3hk4 h GLU 48 CO 0.04 1.05 0.28 0.00 -1.18 0.00 0.00 179.01 179.20 3hk4 h ALA 49 N 0.83 0.56 -0.29 2.92 0.00 -1.82 -1.30 119.26 120.16 3hk4 h ALA 49 Ca -0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3hk4 h ALA 49 Cb 1.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3hk4 h ALA 49 CO 0.15 -0.01 -0.06 1.25 0.00 0.00 0.00 179.25 180.58 3hk4 h LEU 50 N 0.58 0.44 -0.64 0.00 5.85 -1.20 -1.24 115.31 119.10 3hk4 h LEU 50 Ca 0.17 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3hk4 h LEU 50 Cb -0.05 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3hk4 h LEU 50 CO -0.05 0.56 0.41 -0.09 -0.34 0.00 0.00 178.44 178.93 3hk4 h ARG 51 N 0.44 0.85 -0.67 1.25 2.43 -0.86 0.13 114.38 117.95 3hk4 h ARG 51 Ca 0.09 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 3hk4 h ARG 51 Cb 0.39 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3hk4 h ARG 51 CO 0.02 0.57 0.16 1.96 -1.51 0.00 0.00 179.97 181.17 3hk4 h GLN 52 N 0.87 1.07 -0.46 0.20 1.08 -0.36 -1.65 115.11 115.85 3hk4 h GLN 52 Ca 0.23 -0.26 -0.09 0.00 -1.45 0.00 0.00 58.65 57.08 3hk4 h GLN 52 Cb -0.08 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 3hk4 h GLN 52 CO -0.05 0.96 -0.08 -0.22 -0.95 0.00 0.00 178.83 178.49 3hk4 h LYS 53 N 1.00 0.87 -0.62 1.46 3.64 -0.92 -0.90 116.57 121.10 3hk4 h LYS 53 Ca 0.21 -0.32 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 3hk4 h LYS 53 Cb 0.37 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3hk4 h LYS 53 CO 0.00 0.96 0.24 0.77 -2.27 0.00 0.00 179.45 179.15 3hk4 h SER 54 N 0.71 0.85 -0.41 4.20 0.02 -0.59 0.13 113.55 118.46 3hk4 h SER 54 Ca 0.12 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3hk4 h SER 54 Cb 0.62 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 3hk4 h SER 54 CO 0.04 0.79 0.28 1.56 -1.14 0.00 0.00 176.83 178.36 3hk4 h GLN 55 N 0.86 0.55 -0.28 3.45 4.20 -1.18 -0.69 115.11 122.01 3hk4 h GLN 55 Ca 0.21 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.93 3hk4 h GLN 55 Cb 0.21 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 3hk4 h GLN 55 CO -0.02 0.36 -0.02 2.35 -0.67 0.00 0.00 178.83 180.83 3hk4 h TRP 56 N 0.56 -0.06 -0.36 2.96 7.01 -0.64 -0.67 115.95 124.76 3hk4 h TRP 56 Ca 0.15 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.18 3hk4 h TRP 56 Cb -0.07 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 3hk4 h TRP 56 CO -0.05 -0.07 0.22 2.35 -2.79 0.00 0.00 178.44 178.10 3hk4 h TRP 57 N 0.05 0.42 -0.42 2.65 7.01 -0.41 -1.68 115.95 123.57 3hk4 h TRP 57 Ca 0.14 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.10 3hk4 h TRP 57 Cb 0.19 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.09 3hk4 h TRP 57 CO -0.23 0.25 0.06 1.96 -2.79 0.00 0.00 178.44 177.69 3hk4 h GLN 58 N 0.45 0.65 0.00 2.65 1.08 -0.68 -1.63 115.11 117.63 3hk4 h GLN 58 Ca 0.14 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 3hk4 h GLN 58 Cb -0.02 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 3hk4 h GLN 58 CO -0.05 0.62 -0.21 0.93 -0.95 0.00 0.00 178.83 179.18 3hk4 h GLU 59 N 0.63 0.00 -0.35 1.46 4.39 -0.53 -3.15 114.58 117.02 3hk4 h GLU 59 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3hk4 h GLU 59 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3hk4 h GLU 59 CO 0.00 0.21 0.00 0.09 -1.16 0.00 0.00 179.01 178.15 3hk4 n ASN 60 N -3.89 3.12 -3.77 1.42 3.02 -0.68 -4.93 115.26 109.55 3hk4 n ASN 60 Ca -0.02 -1.90 -0.13 0.00 -0.03 0.00 0.00 54.58 52.50 3hk4 n ASN 60 Cb 0.30 -0.23 -0.14 0.00 -0.61 0.00 0.00 39.78 39.10 3hk4 n ASN 60 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3hk4 s HIS 61 N -1.22 -0.16 -0.25 3.10 3.76 -0.80 -0.40 115.29 119.33 3hk4 s HIS 61 Ca 0.31 0.44 -0.16 0.00 -0.15 0.00 0.00 55.06 55.51 3hk4 s HIS 61 Cb 0.18 -0.03 -0.04 0.00 1.11 0.00 0.00 32.58 33.80 3hk4 s HIS 61 CO 0.25 -0.13 0.41 -2.00 -0.85 0.00 0.00 174.74 172.41 3hk4 s GLU 62 N 0.79 4.08 -0.32 1.40 2.12 -0.21 -4.71 118.70 121.85 3hk4 s GLU 62 Ca -0.06 0.15 -0.14 0.00 0.36 0.00 0.00 54.97 55.28 3hk4 s GLU 62 Cb -0.08 -3.62 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 3hk4 s GLU 62 CO -0.04 -0.21 0.33 0.08 -0.54 0.00 0.00 175.26 174.88 3hk4 s VAL 63 N 1.87 5.20 0.04 3.70 1.01 -1.26 -0.48 120.40 130.48 3hk4 s VAL 63 Ca 0.18 0.15 0.10 0.00 0.00 0.00 0.00 61.98 62.40 3hk4 s VAL 63 Cb -0.15 -3.75 -0.21 0.00 0.00 0.00 0.00 36.38 32.26 3hk4 s VAL 63 CO 0.09 0.01 1.01 0.45 0.00 0.00 0.00 175.10 176.66 3hk4 h HIS 64 N 8.40 0.00 0.00 5.22 -0.00 -1.31 -3.49 115.15 123.96 3hk4 h HIS 64 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.06 3hk4 h HIS 64 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.56 3hk4 h HIS 64 CO 0.71 0.98 0.00 0.41 -0.00 0.00 0.00 177.93 180.03 3hk4 n GLY 65 N 1.43 -1.63 0.00 2.45 0.00 -1.20 -5.00 105.19 101.25 3hk4 n GLY 65 Ca -0.07 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3hk4 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hk4 n GLY 66 N -0.24 -0.77 3.02 -0.02 0.00 -1.26 -1.64 105.19 104.28 3hk4 n GLY 66 Ca 0.00 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 3hk4 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hk4 s SER 67 N 0.00 0.39 -0.10 1.61 1.04 0.34 -4.98 113.70 112.00 3hk4 s SER 67 Ca 0.00 -0.65 -0.00 0.00 0.48 0.00 0.00 55.95 55.78 3hk4 s SER 67 Cb 0.00 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.26 3hk4 s SER 67 CO 0.00 -0.38 -0.07 -0.69 0.98 0.00 0.00 173.24 173.08 3hk4 s VAL 68 N -2.18 0.95 -0.07 5.02 1.01 -1.26 -1.82 120.40 122.05 3hk4 s VAL 68 Ca -0.08 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3hk4 s VAL 68 Cb -0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 3hk4 s VAL 68 CO -0.03 0.35 -0.14 -1.61 0.00 0.00 0.00 175.10 173.67 3hk4 s GLU 69 N 1.52 2.74 0.00 2.72 2.02 0.12 -4.95 118.70 122.87 3hk4 s GLU 69 Ca 0.01 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.31 3hk4 s GLU 69 Cb -0.13 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.65 3hk4 s GLU 69 CO -0.06 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.16 3hk4 n GLY 70 N 2.61 0.65 3.76 -1.39 0.00 -1.26 -0.67 105.19 108.90 3hk4 n GLY 70 Ca -0.17 -2.15 -0.39 0.00 0.00 0.00 0.00 46.02 43.30 3hk4 n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hk4 s PRO 71 N -0.70 4.52 -0.26 1.61 0.04 -1.26 -5.03 135.00 133.92 3hk4 s PRO 71 Ca 0.00 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 3hk4 s PRO 71 Cb 0.00 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 3hk4 s PRO 71 CO 0.00 0.13 0.14 0.71 0.04 0.00 0.00 177.00 178.03 3hk4 s TYR 72 N -1.30 3.19 0.03 0.56 2.02 -0.39 -4.93 117.35 116.53 3hk4 s TYR 72 Ca 0.48 -0.04 0.05 0.00 -0.37 0.00 0.00 57.07 57.19 3hk4 s TYR 72 Cb -0.29 -2.31 -0.03 0.00 -0.40 0.00 0.00 41.96 38.93 3hk4 s TYR 72 CO 0.37 -0.18 -0.12 0.08 -1.57 0.00 0.00 175.55 174.12 3hk4 s VAL 73 N 1.57 3.22 -0.25 0.71 1.01 -1.26 -0.19 120.40 125.21 3hk4 s VAL 73 Ca 0.07 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 3hk4 s VAL 73 Cb -0.15 -2.39 0.14 0.00 0.00 0.00 0.00 36.38 33.98 3hk4 s VAL 73 CO 0.08 0.34 0.41 0.21 0.00 0.00 0.00 175.10 176.14 3hk4 s ASN 74 N -1.49 0.01 1.68 3.32 3.84 -0.32 -4.99 114.94 116.99 3hk4 s ASN 74 Ca 0.16 0.35 0.00 0.00 0.21 0.00 0.00 52.86 53.58 3hk4 s ASN 74 Cb -0.11 1.26 0.00 0.00 -0.55 0.00 0.00 41.25 41.85 3hk4 s ASN 74 CO 0.07 -0.29 0.00 0.61 -2.79 0.00 0.00 177.10 174.70 3hk4 n GLY 75 N 5.37 3.15 1.30 1.21 0.00 -1.26 -1.99 105.19 112.97 3hk4 n GLY 75 Ca -0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 3hk4 n GLY 75 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hk4 n ASP 76 N 7.33 3.12 -3.68 1.61 5.75 -1.26 -4.91 116.55 124.51 3hk4 n ASP 76 Ca 0.00 -2.52 -0.11 0.00 -0.01 0.00 0.00 54.79 52.15 3hk4 n ASP 76 Cb 0.00 -0.61 -0.06 0.00 -1.03 0.00 0.00 41.12 39.42 3hk4 n ASP 76 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3hk4 s GLN 77 N -1.46 0.96 0.03 0.11 -0.21 -0.84 -1.26 119.66 116.98 3hk4 s GLN 77 Ca 0.22 -0.60 -0.03 0.00 0.02 0.00 0.00 55.36 54.97 3hk4 s GLN 77 Cb 0.18 0.42 -0.02 0.00 1.00 0.00 0.00 33.01 34.59 3hk4 s GLN 77 CO 0.05 -0.35 0.05 -0.59 -2.12 0.00 0.00 175.29 172.33 3hk4 s PHE 78 N -3.22 0.24 0.09 0.91 -0.71 -0.50 -1.17 117.98 113.62 3hk4 s PHE 78 Ca -0.01 -0.55 0.10 0.00 -1.04 0.00 0.00 56.93 55.43 3hk4 s PHE 78 Cb 0.01 -0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.61 3hk4 s PHE 78 CO -0.08 -0.31 -0.25 0.00 -1.34 0.00 0.00 175.22 173.24 3hk4 s ALA 79 N -2.32 2.19 0.02 1.99 0.00 0.73 -0.61 121.76 123.76 3hk4 s ALA 79 Ca -0.08 -1.33 0.04 0.00 0.00 0.00 0.00 51.96 50.59 3hk4 s ALA 79 Cb -0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 3hk4 s ALA 79 CO -0.04 0.50 -0.12 -0.51 0.00 0.00 0.00 175.76 175.59 3hk4 s LEU 80 N -1.69 2.12 -0.22 0.00 1.43 -0.32 -1.26 118.68 118.73 3hk4 s LEU 80 Ca 0.12 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 3hk4 s LEU 80 Cb -0.10 -0.53 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 3hk4 s LEU 80 CO 0.04 0.04 0.01 -0.60 0.23 0.00 0.00 176.35 176.07 3hk4 s ARG 81 N -0.85 3.56 -0.14 1.70 3.52 0.15 -0.69 118.95 126.20 3hk4 s ARG 81 Ca 0.01 -0.54 -0.04 0.00 -0.13 0.00 0.00 55.73 55.03 3hk4 s ARG 81 Cb -0.07 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 3hk4 s ARG 81 CO 0.01 -0.11 -0.00 -0.06 -0.81 0.00 0.00 175.30 174.32 3hk4 s PHE 82 N 1.33 3.12 -0.09 5.12 0.08 -0.17 0.12 117.98 127.49 3hk4 s PHE 82 Ca 0.04 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.03 3hk4 s PHE 82 Cb -0.15 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 3hk4 s PHE 82 CO 0.01 0.16 -0.07 0.21 -0.10 0.00 0.00 175.22 175.43 3hk4 s LYS 83 N 0.01 1.31 -0.00 0.44 2.20 -0.76 -1.06 119.74 121.89 3hk4 s LYS 83 Ca 0.02 -0.20 -0.08 0.00 -0.36 0.00 0.00 55.97 55.35 3hk4 s LYS 83 Cb -0.13 -1.36 0.00 0.00 -1.51 0.00 0.00 37.83 34.83 3hk4 s LYS 83 CO 0.02 -0.20 0.16 -0.59 -0.36 0.00 0.00 175.35 174.38 3hk4 s PHE 84 N 1.49 0.01 -0.21 4.03 -0.71 -1.26 -0.50 117.98 120.82 3hk4 s PHE 84 Ca -0.00 -0.07 -0.08 0.00 -1.04 0.00 0.00 56.93 55.73 3hk4 s PHE 84 Cb -0.13 -0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.61 3hk4 s PHE 84 CO -0.05 -0.30 0.09 0.34 -1.34 0.00 0.00 175.22 173.96 3hk4 s ASP 85 N -1.36 5.63 0.05 1.98 -1.08 -0.65 -4.24 116.67 117.00 3hk4 s ASP 85 Ca -0.14 0.02 -0.04 0.00 -0.52 0.00 0.00 52.55 51.87 3hk4 s ASP 85 Cb -0.07 -1.99 -0.02 0.00 -1.46 0.00 0.00 42.92 39.38 3hk4 s ASP 85 CO 0.02 0.10 0.05 -0.69 0.52 0.00 0.00 175.17 175.16 3hk4 s VAL 86 N 0.84 0.17 -0.29 1.11 1.01 -0.30 -0.76 120.40 122.18 3hk4 s VAL 86 Ca 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.64 3hk4 s VAL 86 Cb -0.13 -1.17 0.09 0.00 0.00 0.00 0.00 36.38 35.17 3hk4 s VAL 86 CO 0.02 -0.77 0.05 -0.89 0.00 0.00 0.00 175.10 173.52 3hk4 s THR 87 N -3.26 1.24 0.31 3.92 2.01 0.37 -0.35 115.64 119.89 3hk4 s THR 87 Ca 0.01 -1.47 -0.29 0.00 0.31 0.00 0.00 61.69 60.24 3hk4 s THR 87 Cb 0.03 -1.83 -0.10 0.00 0.01 0.00 0.00 72.50 70.60 3hk4 s THR 87 CO -0.08 -0.51 1.33 -2.84 -0.69 0.00 0.00 174.62 171.83 3hk4 s PRO 88 N 1.46 4.34 0.50 4.92 0.02 -1.26 -1.05 135.00 143.93 3hk4 s PRO 88 Ca 0.06 2.23 0.22 0.00 0.02 0.00 0.00 61.00 63.53 3hk4 s PRO 88 Cb -0.18 -3.08 1.33 0.00 0.02 0.00 0.00 34.50 32.59 3hk4 s PRO 88 CO -0.17 -0.23 2.08 0.87 -0.33 0.00 0.00 177.00 179.22 3hk4 h LYS 89 N 3.72 0.00 -0.15 5.54 1.57 -1.10 -0.41 116.57 125.73 3hk4 h LYS 89 Ca -0.48 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 3hk4 h LYS 89 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3hk4 h LYS 89 CO 0.68 0.12 -0.06 0.00 -0.57 0.00 0.00 179.45 179.61 3hk4 h ALA 90 N 1.88 1.61 0.00 3.86 0.00 -1.91 -3.34 119.26 121.37 3hk4 h ALA 90 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3hk4 h ALA 90 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hk4 h ALA 90 CO 0.02 0.28 -1.19 0.25 0.00 0.00 0.00 179.25 178.61 3hk4 n THR 91 N -4.34 0.15 -1.27 0.00 -2.24 -1.14 -5.02 114.28 100.42 3hk4 n THR 91 Ca -0.01 -0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 3hk4 n THR 91 Cb 0.21 -0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 67.85 3hk4 n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hk4 n GLY 92 N 2.68 1.02 3.28 3.38 0.00 -0.18 -4.98 105.19 110.39 3hk4 n GLY 92 Ca -0.04 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 3hk4 n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hk4 s GLU 93 N -2.56 3.28 0.14 1.61 2.12 -1.26 -4.97 118.70 117.06 3hk4 s GLU 93 Ca 0.00 -0.68 -0.31 0.00 0.36 0.00 0.00 54.97 54.34 3hk4 s GLU 93 Cb 0.00 -2.95 -0.08 0.00 0.26 0.00 0.00 34.13 31.36 3hk4 s GLU 93 CO 0.00 -0.22 1.30 0.50 -0.54 0.00 0.00 175.26 176.31 3hk4 s ARG 94 N 1.44 4.38 0.12 4.30 3.52 -1.26 -4.23 118.95 127.23 3hk4 s ARG 94 Ca 0.05 1.98 -0.00 0.00 -0.13 0.00 0.00 55.73 57.63 3hk4 s ARG 94 Cb -0.14 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 3hk4 s ARG 94 CO -0.05 -0.30 0.02 0.14 -0.81 0.00 0.00 175.30 174.30 3hk4 s VAL 95 N 0.66 0.26 0.21 7.11 -7.23 0.52 -4.98 120.40 116.96 3hk4 s VAL 95 Ca 0.60 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 3hk4 s VAL 95 Cb -0.35 -1.92 0.03 0.00 0.56 0.00 0.00 36.38 34.70 3hk4 s VAL 95 CO 0.33 -0.61 0.23 0.41 -0.31 0.00 0.00 175.10 175.15 3hk4 n THR 96 N -0.07 0.00 0.00 5.32 -1.04 -1.26 -1.15 114.28 116.08 3hk4 n THR 96 Ca -0.08 -0.75 0.00 0.00 -2.04 0.00 0.00 64.05 61.18 3hk4 n THR 96 Cb 0.63 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 3hk4 n THR 96 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3hk4 n ASP 98 N -2.38 0.00 -4.29 8.00 2.03 -1.26 -4.93 116.55 113.73 3hk4 n ASP 98 Ca 0.03 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.18 3hk4 n ASP 98 Cb 0.22 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.52 3hk4 n ASP 98 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3hk4 s GLU 99 N 0.00 1.17 -0.10 -0.67 2.02 -0.22 -4.73 118.70 116.16 3hk4 s GLU 99 Ca 0.00 -1.52 0.03 0.00 0.02 0.00 0.00 54.97 53.51 3hk4 s GLU 99 Cb 0.00 -0.76 -0.01 0.00 0.10 0.00 0.00 34.13 33.46 3hk4 s GLU 99 CO 0.00 0.08 -0.21 0.08 0.02 0.00 0.00 175.26 175.24 3hk4 s VAL 100 N -3.24 2.38 -0.11 2.63 1.01 -0.36 -1.00 120.40 121.72 3hk4 s VAL 100 Ca 0.20 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3hk4 s VAL 100 Cb 0.02 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3hk4 s VAL 100 CO 0.03 0.55 -0.07 -0.83 0.00 0.00 0.00 175.10 174.79 3hk4 s GLY 101 N 0.20 1.68 -0.18 4.51 0.00 0.13 -0.50 107.32 113.17 3hk4 s GLY 101 Ca -0.13 -0.87 -0.01 0.00 0.00 0.00 0.00 44.72 43.72 3hk4 s GLY 101 CO 0.07 -0.40 -0.13 -2.27 0.00 0.00 0.00 173.10 170.37 3hk4 s LEU 102 N -0.24 2.53 -0.14 0.66 2.96 0.52 -1.18 118.68 123.79 3hk4 s LEU 102 Ca 0.03 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3hk4 s LEU 102 Cb -0.13 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 3hk4 s LEU 102 CO 0.03 0.04 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.62 3hk4 s TYR 103 N 1.08 2.74 -0.21 5.38 1.51 0.22 -1.47 117.35 126.60 3hk4 s TYR 103 Ca -0.00 -0.96 -0.08 0.00 -1.01 0.00 0.00 57.07 55.02 3hk4 s TYR 103 Cb -0.14 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 3hk4 s TYR 103 CO -0.04 -0.41 0.08 0.99 -1.11 0.00 0.00 175.55 175.06 3hk4 s THR 104 N 0.61 4.68 -0.16 -0.71 2.01 -0.38 -1.41 115.64 120.28 3hk4 s THR 104 Ca -0.09 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.82 3hk4 s THR 104 Cb -0.16 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 3hk4 s THR 104 CO 0.03 0.40 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.61 3hk4 s VAL 105 N 0.92 3.60 -0.05 3.82 1.01 -0.39 -0.56 120.40 128.75 3hk4 s VAL 105 Ca 0.04 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 3hk4 s VAL 105 Cb -0.14 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.70 3hk4 s VAL 105 CO 0.03 0.49 0.01 -0.54 0.00 0.00 0.00 175.10 175.09 3hk4 s LYS 106 N 0.53 0.38 -1.63 2.72 1.02 -0.25 -4.80 119.74 117.71 3hk4 s LYS 106 Ca -0.05 0.14 -0.01 0.00 0.02 0.00 0.00 55.97 56.07 3hk4 s LYS 106 Cb -0.15 -0.70 0.00 0.00 -0.52 0.00 0.00 37.83 36.47 3hk4 s LYS 106 CO 0.03 -0.23 0.18 0.09 -0.92 0.00 0.00 175.35 174.49 3hk4 n ASN 107 N 4.75 -5.74 0.00 2.83 3.02 -1.26 -2.05 115.26 116.81 3hk4 n ASN 107 Ca -0.14 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 3hk4 n ASN 107 Cb 0.50 -4.70 0.00 0.00 -0.61 0.00 0.00 39.78 34.97 3hk4 n ASN 107 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hk4 n GLY 108 N -1.16 0.88 3.29 7.41 0.00 -1.26 -5.03 105.19 109.32 3hk4 n GLY 108 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 3hk4 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hk4 s LYS 109 N -0.07 1.16 -0.43 1.61 1.02 -0.87 -4.92 119.74 117.24 3hk4 s LYS 109 Ca 0.00 -1.26 -0.28 0.00 0.02 0.00 0.00 55.97 54.45 3hk4 s LYS 109 Cb 0.00 -1.28 0.03 0.00 -0.52 0.00 0.00 37.83 36.06 3hk4 s LYS 109 CO 0.00 0.28 1.07 0.42 -0.92 0.00 0.00 175.35 176.20 3hk4 s ILE 110 N -1.65 4.35 -0.25 2.17 1.01 0.71 -1.09 121.20 126.45 3hk4 s ILE 110 Ca 0.10 1.27 0.23 0.00 0.00 0.00 0.00 60.65 62.25 3hk4 s ILE 110 Cb -0.08 -4.51 -0.06 0.00 0.01 0.00 0.00 42.46 37.82 3hk4 s ILE 110 CO 0.05 -0.82 0.96 0.35 0.00 0.00 0.00 174.94 175.48 3hk4 n THR 111 N 6.48 0.47 -3.72 2.92 -2.24 0.28 -0.28 114.28 118.19 3hk4 n THR 111 Ca 0.11 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 3hk4 n THR 111 Cb 0.48 -0.23 -0.09 0.00 -2.10 0.00 0.00 70.33 68.39 3hk4 n THR 111 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3hk4 s GLU 112 N -3.37 0.54 -0.02 -0.78 2.12 -1.21 -2.03 118.70 113.95 3hk4 s GLU 112 Ca -0.01 0.63 0.04 0.00 0.36 0.00 0.00 54.97 55.99 3hk4 s GLU 112 Cb 0.11 0.26 -0.01 0.00 0.26 0.00 0.00 34.13 34.76 3hk4 s GLU 112 CO 0.81 -0.07 -0.14 -1.83 -0.54 0.00 0.00 175.26 173.49 3hk4 s GLU 113 N 0.22 1.32 -0.06 4.30 -1.05 -0.45 -1.24 118.70 121.73 3hk4 s GLU 113 Ca -0.00 -0.51 -0.03 0.00 -0.15 0.00 0.00 54.97 54.28 3hk4 s GLU 113 Cb -0.03 -1.23 0.04 0.00 -0.44 0.00 0.00 34.13 32.47 3hk4 s GLU 113 CO 0.01 0.27 0.14 0.50 0.95 0.00 0.00 175.26 177.12 3hk4 s ARG 114 N -0.15 0.07 -0.07 -4.83 3.52 -0.54 -1.11 118.95 115.84 3hk4 s ARG 114 Ca 0.02 0.39 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 3hk4 s ARG 114 Cb -0.08 -0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.07 3hk4 s ARG 114 CO 0.00 -0.20 -0.06 -0.06 -0.81 0.00 0.00 175.30 174.18 3hk4 s PHE 115 N 1.39 2.98 -0.06 5.12 0.08 -0.42 -0.36 117.98 126.71 3hk4 s PHE 115 Ca -0.07 0.05 0.05 0.00 0.12 0.00 0.00 56.93 57.09 3hk4 s PHE 115 Cb -0.12 -1.72 -0.01 0.00 -0.57 0.00 0.00 43.02 40.60 3hk4 s PHE 115 CO -0.06 0.36 -0.22 0.71 -0.10 0.00 0.00 175.22 175.91 3hk4 s TYR 116 N -0.83 2.20 0.00 0.36 1.51 0.34 -3.01 117.35 117.93 3hk4 s TYR 116 Ca 0.13 -0.71 0.00 0.00 -1.01 0.00 0.00 57.07 55.48 3hk4 s TYR 116 Cb -0.11 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.27 3hk4 s TYR 116 CO 0.02 -0.24 0.00 0.66 -1.11 0.00 0.00 175.55 174.87