#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hk4 s THR 2 N 0.00 0.75 0.30 2.61 -4.23 -1.26 -5.15 115.64 108.66 3hk4 s THR 2 Ca 0.00 -1.96 0.05 0.00 -1.18 0.00 0.00 61.69 58.60 3hk4 s THR 2 Cb 0.00 -1.78 0.30 0.00 1.34 0.00 0.00 72.50 72.36 3hk4 s THR 2 CO 0.00 -0.79 1.79 0.40 -0.54 0.00 0.00 174.62 175.48 3hk4 h ILE 3 N 2.90 0.76 -0.86 2.99 1.08 -1.99 0.84 117.51 123.23 3hk4 h ILE 3 Ca -0.36 -0.28 -0.03 0.00 -0.39 0.00 0.00 64.86 63.80 3hk4 h ILE 3 Cb 1.18 -0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 34.75 3hk4 h ILE 3 CO 0.64 0.15 0.43 0.00 -0.69 0.00 0.00 178.15 178.68 3hk4 h ALA 4 N 1.62 1.10 -0.12 1.87 0.00 -1.98 0.18 119.26 121.93 3hk4 h ALA 4 Ca 0.56 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.20 3hk4 h ALA 4 Cb 0.79 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hk4 h ALA 4 CO -0.35 0.65 -0.36 0.93 0.00 0.00 0.00 179.25 180.12 3hk4 h GLU 5 N 1.21 0.46 -0.36 0.00 5.08 -1.37 -1.13 114.58 118.47 3hk4 h GLU 5 Ca 0.30 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3hk4 h GLU 5 Cb 0.10 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3hk4 h GLU 5 CO -0.04 0.95 0.19 0.82 -1.00 0.00 0.00 179.01 179.93 3hk4 h ILE 6 N 0.05 1.00 -0.30 3.13 2.04 -0.77 0.18 117.51 122.84 3hk4 h ILE 6 Ca -0.01 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.74 3hk4 h ILE 6 Cb 0.98 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3hk4 h ILE 6 CO 0.08 0.07 0.12 0.00 0.00 0.00 0.00 178.15 178.42 3hk4 h ALA 7 N 1.18 0.35 -0.25 1.87 0.00 -0.64 -0.36 119.26 121.40 3hk4 h ALA 7 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hk4 h ALA 7 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hk4 h ALA 7 CO -0.09 -0.27 0.14 -0.22 0.00 0.00 0.00 179.25 178.81 3hk4 h LYS 8 N 0.27 0.36 -0.16 0.00 3.11 -0.77 -0.92 116.57 118.46 3hk4 h LYS 8 Ca 0.13 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.91 3hk4 h LYS 8 Cb 0.08 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.23 3hk4 h LYS 8 CO -0.11 0.32 0.04 0.22 -2.81 0.00 0.00 179.45 177.11 3hk4 h ASP 9 N 0.30 0.24 -0.31 4.20 3.58 -0.78 0.01 116.42 123.66 3hk4 h ASP 9 Ca 0.09 -0.22 0.02 0.00 0.42 0.00 0.00 57.03 57.34 3hk4 h ASP 9 Cb 0.07 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 3hk4 h ASP 9 CO -0.01 0.40 0.15 0.15 -2.88 0.00 0.00 179.24 177.05 3hk4 h PHE 10 N 0.07 0.29 -0.54 0.28 3.57 -1.06 0.03 116.94 119.57 3hk4 h PHE 10 Ca 0.05 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 3hk4 h PHE 10 Cb 0.25 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3hk4 h PHE 10 CO 0.01 0.16 0.22 1.15 -2.23 0.00 0.00 178.31 177.61 3hk4 h THR 11 N 0.32 1.22 0.14 4.41 2.02 -1.06 -1.84 112.91 118.12 3hk4 h THR 11 Ca 0.13 -0.68 0.02 0.00 0.77 0.00 0.00 66.41 66.65 3hk4 h THR 11 Cb 0.05 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3hk4 h THR 11 CO -0.09 0.26 -0.28 -0.33 0.37 0.00 0.00 175.52 175.45 3hk4 h GLU 12 N 0.74 -0.49 -0.90 6.66 3.07 -0.60 0.60 114.58 123.67 3hk4 h GLU 12 Ca 0.18 0.03 0.17 0.00 -0.50 0.00 0.00 59.36 59.24 3hk4 h GLU 12 Cb 0.20 0.11 -0.10 0.00 -0.84 0.00 0.00 28.75 28.12 3hk4 h GLU 12 CO -0.02 -0.32 0.48 -0.07 -1.40 0.00 0.00 179.01 177.68 3hk4 h LEU 13 N -0.50 0.58 -0.55 1.33 3.38 -0.75 -0.28 115.31 118.51 3hk4 h LEU 13 Ca 0.03 0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 3hk4 h LEU 13 Cb 0.52 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3hk4 h LEU 13 CO -0.15 0.22 -0.28 -0.07 0.09 0.00 0.00 178.44 178.24 3hk4 h LEU 14 N 0.64 0.89 -1.28 1.67 3.38 -0.76 0.19 115.31 120.04 3hk4 h LEU 14 Ca 0.51 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3hk4 h LEU 14 Cb 0.76 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3hk4 h LEU 14 CO -0.39 1.11 0.22 0.11 0.09 0.00 0.00 178.44 179.58 3hk4 h LYS 15 N 0.73 0.71 0.00 1.13 1.57 0.52 -0.16 116.57 121.07 3hk4 h LYS 15 Ca 0.09 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3hk4 h LYS 15 Cb 0.83 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3hk4 h LYS 15 CO 0.07 0.58 0.00 1.04 -0.57 0.00 0.00 179.45 180.57 3hk4 n GLN 16 N -4.36 0.69 -1.21 3.15 6.02 -0.26 -4.87 117.38 116.54 3hk4 n GLN 16 Ca 0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.96 3hk4 n GLN 16 Cb 0.14 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 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 0.34 0.91 2.64 1.08 0.00 -0.07 -4.92 105.19 105.18 3hk4 n GLY 17 Ca 0.13 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 0.24 7.42 -0.19 1.61 2.03 0.65 -4.78 116.55 123.53 3hk4 n ASP 18 Ca -0.07 -3.66 -0.03 0.00 0.52 0.00 0.00 54.79 51.55 3hk4 n ASP 18 Cb 0.29 -1.18 0.07 0.00 -0.72 0.00 0.00 41.12 39.59 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 4.17 0.42 -0.20 1.67 -0.26 -1.87 -0.86 115.58 118.65 3hk4 h ASN 19 Ca 0.55 0.03 -0.12 0.00 -0.56 0.00 0.00 56.30 56.21 3hk4 h ASN 19 Cb 0.30 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 3hk4 h ASN 19 CO 1.21 0.28 -0.27 0.00 -1.06 0.00 0.00 177.43 177.59 3hk4 h ALA 20 N 1.31 0.90 -0.40 -0.83 0.00 -1.96 -1.76 119.26 116.52 3hk4 h ALA 20 Ca 0.26 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3hk4 h ALA 20 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hk4 h ALA 20 CO -0.18 0.62 -0.24 0.78 0.00 0.00 0.00 179.25 180.23 3hk4 h GLY 21 N 0.99 0.95 0.93 0.00 0.00 -1.90 -0.68 103.07 103.36 3hk4 h GLY 21 Ca 0.08 -0.89 0.02 0.00 0.00 0.00 0.00 47.33 46.54 3hk4 h GLY 21 CO 0.06 0.81 0.44 0.00 0.00 0.00 0.00 176.54 177.84 3hk4 h ALA 22 N 0.81 0.87 -0.05 3.60 0.00 -0.90 -1.50 119.26 122.09 3hk4 h ALA 22 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hk4 h ALA 22 Cb 0.81 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hk4 h ALA 22 CO 0.07 0.23 -0.02 0.00 0.00 0.00 0.00 179.25 179.53 3hk4 h ALA 23 N 1.27 0.07 -0.68 0.00 0.00 -1.20 -1.79 119.26 116.93 3hk4 h ALA 23 Ca 0.26 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3hk4 h ALA 23 Cb -0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3hk4 h ALA 23 CO -0.08 -0.20 0.41 1.49 0.00 0.00 0.00 179.25 180.86 3hk4 h GLU 24 N -0.28 0.75 -0.49 0.00 4.57 -1.08 0.31 114.58 118.36 3hk4 h GLU 24 Ca 0.01 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 3hk4 h GLU 24 Cb 0.44 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 3hk4 h GLU 24 CO 0.01 0.50 -0.10 -0.22 -1.18 0.00 0.00 179.01 178.01 3hk4 h LYS 25 N 0.77 0.93 0.00 1.92 3.64 -1.22 -3.39 116.57 119.23 3hk4 h LYS 25 Ca 0.29 -0.35 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 3hk4 h LYS 25 Cb 0.09 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3hk4 h LYS 25 CO -0.14 1.01 -1.38 0.66 -2.27 0.00 0.00 179.45 177.34 3hk4 n TYR 26 N -4.22 0.00 -1.95 1.91 4.01 -0.68 -5.03 117.16 111.19 3hk4 n TYR 26 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 3hk4 n TYR 26 Cb 0.39 -0.21 -0.01 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 -3.10 6.55 0.54 7.72 0.01 0.08 -0.48 114.94 126.26 3hk4 s ASN 27 Ca -0.03 2.86 -0.19 0.00 -0.71 0.00 0.00 52.86 54.79 3hk4 s ASN 27 Cb 0.04 -2.65 -0.06 0.00 0.41 0.00 0.00 41.25 38.99 3hk4 s ASN 27 CO 0.31 -0.72 1.08 0.00 -1.51 0.00 0.00 177.10 176.26 3hk4 s ALA 28 N -0.94 2.75 0.42 0.60 0.00 0.58 -4.69 121.76 120.47 3hk4 s ALA 28 Ca 0.53 0.65 0.18 0.00 0.00 0.00 0.00 51.96 53.32 3hk4 s ALA 28 Cb -0.43 -3.30 1.10 0.00 0.00 0.00 0.00 23.12 20.49 3hk4 s ALA 28 CO 0.56 -0.65 1.85 -0.44 0.00 0.00 0.00 175.76 177.09 3hk4 h ASP 29 N 1.11 0.40 -0.77 0.00 3.32 -1.94 -1.64 116.42 116.91 3hk4 h ASP 29 Ca -0.49 0.04 -0.41 0.00 0.02 0.00 0.00 57.03 56.19 3hk4 h ASP 29 Cb 1.24 -0.03 -0.24 0.00 0.22 0.00 0.00 39.33 40.52 3hk4 h ASP 29 CO 0.57 0.15 0.38 -0.90 -1.72 0.00 0.00 179.24 177.73 3hk4 n ASP 30 N -4.51 3.51 -4.65 6.45 5.75 -1.26 -0.60 116.55 121.24 3hk4 n ASP 30 Ca 0.19 -3.69 -0.46 0.00 -0.01 0.00 0.00 54.79 50.82 3hk4 n ASP 30 Cb 0.71 -0.77 -0.04 0.00 -1.03 0.00 0.00 41.12 40.00 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 -1.12 0.52 -3.69 2.12 3.06 -0.62 -4.27 119.36 115.36 3hk4 n ILE 31 Ca 0.51 -0.13 -0.35 0.00 -2.50 0.00 0.00 62.75 60.27 3hk4 n ILE 31 Cb 1.39 -1.38 -0.08 0.00 0.54 0.00 0.00 39.64 40.11 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 0.32 3.66 -0.10 1.51 0.00 -0.74 -0.34 121.76 126.08 3hk4 s ALA 32 Ca 0.74 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.02 3hk4 s ALA 32 Cb -0.70 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.20 3hk4 s ALA 32 CO 0.45 0.08 -0.17 0.45 0.00 0.00 0.00 175.76 176.58 3hk4 s SER 33 N 0.50 2.43 -0.26 0.00 0.15 0.85 -1.58 113.70 115.80 3hk4 s SER 33 Ca 0.09 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.33 3hk4 s SER 33 Cb -0.12 -1.10 0.06 0.00 -1.71 0.00 0.00 66.02 63.15 3hk4 s SER 33 CO -0.00 0.05 -0.07 -0.31 1.20 0.00 0.00 173.24 174.11 3hk4 s TYR 34 N 0.75 2.91 0.65 3.44 2.02 -0.05 -0.55 117.35 126.52 3hk4 s TYR 34 Ca -0.11 -2.13 -0.11 0.00 -0.37 0.00 0.00 57.07 54.35 3hk4 s TYR 34 Cb -0.16 -1.86 -0.02 0.00 -0.40 0.00 0.00 41.96 39.52 3hk4 s TYR 34 CO 0.02 -0.84 1.04 -1.21 -1.57 0.00 0.00 175.55 172.99 3hk4 s GLU 35 N 1.22 3.31 -0.79 -0.62 0.41 0.00 -1.00 118.70 121.24 3hk4 s GLU 35 Ca -0.06 0.60 -0.06 0.00 -0.41 0.00 0.00 54.97 55.04 3hk4 s GLU 35 Cb -0.19 -2.07 -0.07 0.00 -1.78 0.00 0.00 34.13 30.01 3hk4 s GLU 35 CO -0.06 -0.73 3.03 0.00 -0.49 0.00 0.00 175.26 177.01 3hk4 n ALA 36 N -2.82 6.80 -2.66 5.21 0.00 -1.18 -4.83 120.51 121.03 3hk4 n ALA 36 Ca 0.06 -2.98 -0.20 0.00 0.00 0.00 0.00 53.44 50.32 3hk4 n ALA 36 Cb 0.55 -2.65 -0.13 0.00 0.00 0.00 0.00 19.45 17.22 3hk4 n ALA 36 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hk4 s GLU 38 N 0.31 0.90 0.00 0.00 8.01 -1.26 -5.08 118.70 121.57 3hk4 s GLU 38 Ca 0.64 -0.69 0.00 0.00 0.01 0.00 0.00 54.97 54.92 3hk4 s GLU 38 Cb 0.27 -0.88 0.00 0.00 -4.31 0.00 0.00 34.13 29.21 3hk4 s GLU 38 CO -0.08 0.22 0.00 0.41 0.01 0.00 0.00 175.26 175.82 3hk4 n GLY 39 N 2.02 -1.65 0.00 -1.39 0.00 -1.26 -4.96 105.19 97.95 3hk4 n GLY 39 Ca -0.18 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.24 0.00 0.00 1.61 -0.02 -1.26 -4.68 135.00 130.41 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 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 -0.27 0.00 -3.09 3.55 0.00 -1.26 -5.11 120.51 114.32 3hk4 n ALA 42 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3hk4 n ALA 42 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 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 2.47 0.01 0.00 1.01 -1.26 -0.82 120.40 121.82 3hk4 s VAL 43 Ca 0.00 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3hk4 s VAL 43 Cb 0.00 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 3hk4 s VAL 43 CO 0.00 0.55 -0.11 -0.55 0.00 0.00 0.00 175.10 174.99 3hk4 s SER 44 N 0.26 1.24 -0.06 3.32 0.15 0.29 -4.98 113.70 113.92 3hk4 s SER 44 Ca -0.13 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.27 3hk4 s SER 44 Cb -0.17 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.04 3hk4 s SER 44 CO 0.07 0.07 -0.15 -1.00 1.20 0.00 0.00 173.24 173.43 3hk4 s HIS 45 N -0.47 1.65 0.00 3.44 3.76 -1.26 -0.11 115.29 122.30 3hk4 s HIS 45 Ca 0.02 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.35 3hk4 s HIS 45 Cb -0.05 -1.16 0.00 0.00 1.11 0.00 0.00 32.58 32.48 3hk4 s HIS 45 CO 0.00 -0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.04 3hk4 n GLY 46 N 3.57 2.80 0.10 -2.22 0.00 0.54 -4.65 105.19 105.34 3hk4 n GLY 46 Ca -0.21 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 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 0.24 -0.48 1.61 3.64 -1.01 -2.03 116.57 118.55 3hk4 h LYS 47 Ca 0.00 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 3hk4 h LYS 47 Cb 0.00 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3hk4 h LYS 47 CO 0.00 0.43 -0.13 0.93 -2.27 0.00 0.00 179.45 178.41 3hk4 h GLU 48 N 0.01 0.89 -0.58 1.90 3.07 -1.92 -1.26 114.58 116.68 3hk4 h GLU 48 Ca 0.04 -0.32 0.08 0.00 -0.50 0.00 0.00 59.36 58.66 3hk4 h GLU 48 Cb 0.31 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.09 3hk4 h GLU 48 CO 0.00 0.97 0.24 0.00 -1.40 0.00 0.00 179.01 178.82 3hk4 h ALA 49 N 1.05 0.75 -0.63 3.43 0.00 -1.81 -1.28 119.26 120.78 3hk4 h ALA 49 Ca 0.12 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3hk4 h ALA 49 Cb 0.66 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3hk4 h ALA 49 CO 0.05 -0.16 0.12 1.25 0.00 0.00 0.00 179.25 180.51 3hk4 h LEU 50 N 0.44 0.98 -0.75 0.00 5.85 -0.94 -0.89 115.31 119.99 3hk4 h LEU 50 Ca 0.28 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3hk4 h LEU 50 Cb 0.31 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 3hk4 h LEU 50 CO -0.26 0.98 0.44 -0.09 -0.34 0.00 0.00 178.44 179.17 3hk4 h ARG 51 N 0.94 0.79 -0.63 1.25 2.43 -0.78 0.25 114.38 118.62 3hk4 h ARG 51 Ca 0.19 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3hk4 h ARG 51 Cb 0.40 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3hk4 h ARG 51 CO 0.01 0.52 0.23 1.96 -1.51 0.00 0.00 179.97 181.18 3hk4 h GLN 52 N 0.81 0.97 -0.55 0.20 1.08 -0.68 -0.77 115.11 116.17 3hk4 h GLN 52 Ca 0.33 -0.19 -0.04 0.00 -1.45 0.00 0.00 58.65 57.30 3hk4 h GLN 52 Cb 0.18 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 3hk4 h GLN 52 CO -0.18 0.83 0.18 -0.22 -0.95 0.00 0.00 178.83 178.49 3hk4 h LYS 53 N 0.90 0.85 -0.83 1.46 3.64 -0.74 -0.20 116.57 121.66 3hk4 h LYS 53 Ca 0.21 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3hk4 h LYS 53 Cb 0.25 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3hk4 h LYS 53 CO -0.01 0.77 0.42 0.77 -2.27 0.00 0.00 179.45 179.13 3hk4 h SER 54 N 0.77 1.06 -0.36 4.20 0.02 -0.23 0.14 113.55 119.14 3hk4 h SER 54 Ca 0.18 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 3hk4 h SER 54 Cb 0.27 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3hk4 h SER 54 CO -0.01 0.87 -0.14 1.56 -1.14 0.00 0.00 176.83 177.97 3hk4 h GLN 55 N 1.17 0.73 -0.65 3.45 4.20 -0.92 -2.25 115.11 120.84 3hk4 h GLN 55 Ca 0.29 -0.31 0.07 0.00 0.06 0.00 0.00 58.65 58.76 3hk4 h GLN 55 Cb 0.07 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.77 3hk4 h GLN 55 CO -0.04 0.91 0.33 2.35 -0.67 0.00 0.00 178.83 181.71 3hk4 h TRP 56 N 0.52 0.60 -0.58 2.96 7.01 -0.66 -0.97 115.95 124.83 3hk4 h TRP 56 Ca 0.08 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.06 3hk4 h TRP 56 Cb 0.67 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 3hk4 h TRP 56 CO 0.06 0.25 0.17 2.35 -2.79 0.00 0.00 178.44 178.48 3hk4 h TRP 57 N 0.60 0.94 -0.63 2.65 7.01 -0.84 -2.24 115.95 123.44 3hk4 h TRP 57 Ca 0.30 -0.10 -0.04 0.00 2.11 0.00 0.00 58.89 61.16 3hk4 h TRP 57 Cb 0.26 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 27.02 3hk4 h TRP 57 CO -0.10 0.79 0.23 1.96 -2.79 0.00 0.00 178.44 178.53 3hk4 h GLN 58 N 0.82 0.94 0.00 2.65 1.08 -1.05 -2.24 115.11 117.31 3hk4 h GLN 58 Ca 0.18 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3hk4 h GLN 58 Cb 0.31 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3hk4 h GLN 58 CO -0.00 0.79 0.00 1.49 -0.95 0.00 0.00 178.83 180.15 3hk4 h GLU 59 N 0.92 0.00 -0.10 1.46 4.57 -0.68 -3.19 114.58 117.56 3hk4 h GLU 59 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 3hk4 h GLU 59 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3hk4 h GLU 59 CO -0.02 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.90 3hk4 n ASN 60 N -3.01 2.35 -3.96 1.04 3.02 -0.88 -4.97 115.26 108.85 3hk4 n ASN 60 Ca 0.00 -1.66 -0.15 0.00 -0.03 0.00 0.00 54.58 52.74 3hk4 n ASN 60 Cb 0.27 -0.06 -0.14 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.12 0.44 -0.27 3.10 3.76 -0.96 -0.51 115.29 119.72 3hk4 s HIS 61 Ca 0.19 -0.13 -0.14 0.00 -0.15 0.00 0.00 55.06 54.82 3hk4 s HIS 61 Cb 0.12 -0.28 -0.04 0.00 1.11 0.00 0.00 32.58 33.49 3hk4 s HIS 61 CO 0.18 -0.02 0.33 -2.00 -0.85 0.00 0.00 174.74 172.38 3hk4 s GLU 62 N -0.29 4.01 -0.31 1.40 2.12 -0.01 -4.81 118.70 120.81 3hk4 s GLU 62 Ca 0.00 -0.03 -0.18 0.00 0.36 0.00 0.00 54.97 55.12 3hk4 s GLU 62 Cb -0.03 -3.65 -0.01 0.00 0.26 0.00 0.00 34.13 30.70 3hk4 s GLU 62 CO -0.00 -0.24 0.52 0.14 -0.54 0.00 0.00 175.26 175.14 3hk4 s VAL 63 N 1.94 5.03 -0.14 3.70 -7.23 -1.26 -0.71 120.40 121.72 3hk4 s VAL 63 Ca 0.13 0.59 0.18 0.00 -1.81 0.00 0.00 61.98 61.07 3hk4 s VAL 63 Cb -0.16 -3.91 -0.10 0.00 0.56 0.00 0.00 36.38 32.77 3hk4 s VAL 63 CO 0.10 -0.09 0.89 0.45 -0.31 0.00 0.00 175.10 176.14 3hk4 h HIS 64 N 8.27 0.00 0.00 2.82 -0.00 0.88 -3.49 115.15 123.64 3hk4 h HIS 64 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 3hk4 h HIS 64 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.54 3hk4 h HIS 64 CO 0.74 0.48 0.00 0.41 -0.00 0.00 0.00 177.93 179.56 3hk4 n GLY 65 N 1.35 -1.39 0.00 2.45 0.00 -1.07 -4.97 105.19 101.57 3hk4 n GLY 65 Ca -0.08 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.07 1.20 3.14 -0.02 0.00 -1.26 -1.52 105.19 106.66 3hk4 n GLY 66 Ca 0.00 -1.32 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 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 0.24 -0.06 1.61 1.04 -0.37 -5.01 113.70 111.15 3hk4 s SER 67 Ca 0.00 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.74 3hk4 s SER 67 Cb 0.00 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.40 3hk4 s SER 67 CO 0.00 -0.62 -0.08 -0.69 0.98 0.00 0.00 173.24 172.83 3hk4 s VAL 68 N -3.43 0.85 -0.08 5.02 1.01 -1.26 -2.00 120.40 120.51 3hk4 s VAL 68 Ca 0.02 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3hk4 s VAL 68 Cb 0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 3hk4 s VAL 68 CO -0.08 0.30 -0.16 -1.61 0.00 0.00 0.00 175.10 173.55 3hk4 s GLU 69 N 0.95 2.78 0.00 2.72 2.02 0.38 -4.97 118.70 122.59 3hk4 s GLU 69 Ca -0.10 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.17 3hk4 s GLU 69 Cb -0.15 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.66 3hk4 s GLU 69 CO 0.00 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.16 3hk4 n GLY 70 N 2.78 0.85 3.82 -1.39 0.00 -1.26 -0.80 105.19 109.19 3hk4 n GLY 70 Ca -0.17 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.55 4.21 -0.22 1.61 0.04 -1.26 -5.03 135.00 132.79 3hk4 s PRO 71 Ca 0.00 1.09 -0.04 0.00 0.04 0.00 0.00 61.00 62.09 3hk4 s PRO 71 Cb 0.00 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 3hk4 s PRO 71 CO 0.00 -0.03 -0.04 0.71 0.04 0.00 0.00 177.00 177.68 3hk4 s TYR 72 N -2.19 2.96 0.07 0.56 2.02 -0.78 -4.94 117.35 115.04 3hk4 s TYR 72 Ca 0.61 -0.92 0.06 0.00 -0.37 0.00 0.00 57.07 56.45 3hk4 s TYR 72 Cb -0.09 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 3hk4 s TYR 72 CO 0.14 -0.54 -0.09 0.08 -1.57 0.00 0.00 175.55 173.57 3hk4 s VAL 73 N 1.47 3.43 -0.26 0.71 1.01 -1.26 -0.15 120.40 125.35 3hk4 s VAL 73 Ca 0.06 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 3hk4 s VAL 73 Cb -0.14 -2.56 0.15 0.00 0.00 0.00 0.00 36.38 33.83 3hk4 s VAL 73 CO -0.03 0.22 0.44 0.21 0.00 0.00 0.00 175.10 175.93 3hk4 s ASN 74 N -1.91 -0.16 1.78 3.32 3.84 -0.48 -5.01 114.94 116.32 3hk4 s ASN 74 Ca 0.20 0.29 0.00 0.00 0.21 0.00 0.00 52.86 53.56 3hk4 s ASN 74 Cb -0.11 1.38 0.00 0.00 -0.55 0.00 0.00 41.25 41.97 3hk4 s ASN 74 CO 0.11 -0.30 0.00 0.61 -2.79 0.00 0.00 177.10 174.74 3hk4 n GLY 75 N 5.38 3.36 0.48 1.21 0.00 -1.26 -2.01 105.19 112.35 3hk4 n GLY 75 Ca -0.02 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 7.00 1.37 -4.23 1.61 5.75 -1.26 -4.91 116.55 121.88 3hk4 n ASP 76 Ca 0.00 -2.02 -0.14 0.00 -0.01 0.00 0.00 54.79 52.62 3hk4 n ASP 76 Cb 0.00 -0.18 -0.10 0.00 -1.03 0.00 0.00 41.12 39.80 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 -1.67 1.01 0.02 0.11 -0.21 -0.85 -0.55 119.66 117.53 3hk4 s GLN 77 Ca 0.16 -1.39 0.00 0.00 0.02 0.00 0.00 55.36 54.16 3hk4 s GLN 77 Cb 0.09 -0.59 -0.02 0.00 1.00 0.00 0.00 33.01 33.49 3hk4 s GLN 77 CO 0.11 0.07 -0.04 -0.59 -2.12 0.00 0.00 175.29 172.72 3hk4 s PHE 78 N -3.18 0.34 0.03 0.91 -0.71 -0.33 -1.39 117.98 113.65 3hk4 s PHE 78 Ca 0.14 -0.52 0.08 0.00 -1.04 0.00 0.00 56.93 55.59 3hk4 s PHE 78 Cb 0.02 -0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.57 3hk4 s PHE 78 CO 0.00 -0.17 -0.22 0.00 -1.34 0.00 0.00 175.22 173.50 3hk4 s ALA 79 N -1.43 2.43 0.08 1.99 0.00 0.79 -0.25 121.76 125.37 3hk4 s ALA 79 Ca -0.15 -1.20 0.06 0.00 0.00 0.00 0.00 51.96 50.67 3hk4 s ALA 79 Cb -0.10 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 3hk4 s ALA 79 CO -0.01 0.55 -0.16 -0.51 0.00 0.00 0.00 175.76 175.64 3hk4 s LEU 80 N -1.23 2.29 -0.20 0.00 1.43 0.29 -1.87 118.68 119.40 3hk4 s LEU 80 Ca 0.13 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3hk4 s LEU 80 Cb -0.10 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.51 3hk4 s LEU 80 CO 0.03 -0.05 -0.12 -0.60 0.23 0.00 0.00 176.35 175.84 3hk4 s ARG 81 N -1.85 3.20 -0.10 1.70 3.52 0.02 -1.07 118.95 124.38 3hk4 s ARG 81 Ca 0.01 -0.72 -0.01 0.00 -0.13 0.00 0.00 55.73 54.87 3hk4 s ARG 81 Cb -0.10 -2.79 -0.03 0.00 -1.56 0.00 0.00 34.95 30.48 3hk4 s ARG 81 CO 0.03 -0.18 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.23 3hk4 s PHE 82 N 1.33 3.00 -0.12 5.12 0.08 0.05 -0.47 117.98 126.97 3hk4 s PHE 82 Ca 0.04 -0.07 0.00 0.00 0.12 0.00 0.00 56.93 57.02 3hk4 s PHE 82 Cb -0.14 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.53 3hk4 s PHE 82 CO -0.07 0.22 -0.11 0.21 -0.10 0.00 0.00 175.22 175.37 3hk4 s LYS 83 N -0.41 1.82 -0.05 0.44 2.20 -0.85 -1.24 119.74 121.65 3hk4 s LYS 83 Ca 0.06 -0.38 0.05 0.00 -0.36 0.00 0.00 55.97 55.35 3hk4 s LYS 83 Cb -0.12 -1.74 -0.01 0.00 -1.51 0.00 0.00 37.83 34.45 3hk4 s LYS 83 CO 0.02 -0.21 -0.22 -0.59 -0.36 0.00 0.00 175.35 173.99 3hk4 s PHE 84 N 1.47 2.18 -0.44 4.03 -0.71 -1.26 -1.23 117.98 122.01 3hk4 s PHE 84 Ca 0.02 -0.65 -0.12 0.00 -1.04 0.00 0.00 56.93 55.14 3hk4 s PHE 84 Cb -0.13 -1.44 0.08 0.00 -1.21 0.00 0.00 43.02 40.32 3hk4 s PHE 84 CO -0.07 -0.21 0.32 0.34 -1.34 0.00 0.00 175.22 174.26 3hk4 s ASP 85 N -0.07 5.85 0.01 1.98 3.68 -0.58 -4.20 116.67 123.35 3hk4 s ASP 85 Ca -0.04 -1.43 0.00 0.00 2.13 0.00 0.00 52.55 53.21 3hk4 s ASP 85 Cb -0.13 -2.07 -0.01 0.00 -1.45 0.00 0.00 42.92 39.26 3hk4 s ASP 85 CO 0.03 -0.59 -0.02 0.54 0.13 0.00 0.00 175.17 175.27 3hk4 s VAL 86 N 1.52 0.11 -0.37 1.11 0.11 -0.47 0.14 120.40 122.55 3hk4 s VAL 86 Ca 0.03 -0.46 -0.04 0.00 -2.93 0.00 0.00 61.98 58.58 3hk4 s VAL 86 Cb -0.24 -0.17 0.08 0.00 -1.53 0.00 0.00 36.38 34.52 3hk4 s VAL 86 CO 0.04 -0.22 0.14 -0.89 -3.33 0.00 0.00 175.10 170.84 3hk4 s THR 87 N -0.70 3.46 0.28 5.04 2.01 0.11 -1.31 115.64 124.53 3hk4 s THR 87 Ca -0.07 -1.60 -0.29 0.00 0.31 0.00 0.00 61.69 60.03 3hk4 s THR 87 Cb -0.05 -3.15 -0.10 0.00 0.01 0.00 0.00 72.50 69.21 3hk4 s THR 87 CO -0.00 -0.42 1.21 -2.84 -0.69 0.00 0.00 174.62 171.88 3hk4 s PRO 88 N 1.27 4.49 0.46 4.92 0.02 -1.26 -0.83 135.00 144.06 3hk4 s PRO 88 Ca 0.02 2.00 0.14 0.00 0.02 0.00 0.00 61.00 63.18 3hk4 s PRO 88 Cb -0.21 -3.15 1.06 0.00 0.02 0.00 0.00 34.50 32.21 3hk4 s PRO 88 CO -0.01 -0.03 2.03 0.87 -0.33 0.00 0.00 177.00 179.53 3hk4 h LYS 89 N 3.99 0.03 -0.43 5.54 1.57 -1.18 0.39 116.57 126.49 3hk4 h LYS 89 Ca -0.47 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 3hk4 h LYS 89 Cb 1.22 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 3hk4 h LYS 89 CO 0.68 0.15 0.22 0.00 -0.57 0.00 0.00 179.45 179.93 3hk4 h ALA 90 N 1.86 1.59 0.00 3.86 0.00 -1.92 -3.33 119.26 121.32 3hk4 h ALA 90 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 3hk4 h ALA 90 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hk4 h ALA 90 CO 0.02 0.34 -1.51 0.25 0.00 0.00 0.00 179.25 178.35 3hk4 n THR 91 N -4.42 0.51 -1.02 0.00 -2.24 -1.11 -5.01 114.28 100.99 3hk4 n THR 91 Ca 0.03 -0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 61.55 3hk4 n THR 91 Cb 0.11 -0.82 -0.00 0.00 -2.10 0.00 0.00 70.33 67.52 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 2.82 0.41 3.36 3.38 0.00 0.14 -4.99 105.19 110.30 3hk4 n GLY 92 Ca -0.14 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3hk4 n GLY 92 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hk4 s GLU 93 N -0.84 3.42 0.27 1.61 1.03 -1.26 -4.95 118.70 117.98 3hk4 s GLU 93 Ca 0.00 -0.61 -0.29 0.00 0.03 0.00 0.00 54.97 54.09 3hk4 s GLU 93 Cb 0.00 -3.16 -0.10 0.00 -0.80 0.00 0.00 34.13 30.07 3hk4 s GLU 93 CO 0.00 -0.23 1.35 0.50 -1.33 0.00 0.00 175.26 175.55 3hk4 s ARG 94 N 1.52 4.33 0.11 -4.83 3.52 -1.26 -4.29 118.95 118.05 3hk4 s ARG 94 Ca 0.05 2.21 -0.07 0.00 -0.13 0.00 0.00 55.73 57.79 3hk4 s ARG 94 Cb -0.15 -3.11 -0.01 0.00 -1.56 0.00 0.00 34.95 30.12 3hk4 s ARG 94 CO -0.00 -0.28 0.19 0.14 -0.81 0.00 0.00 175.30 174.53 3hk4 s VAL 95 N -0.47 0.12 0.38 7.11 -7.23 -0.43 -5.00 120.40 114.88 3hk4 s VAL 95 Ca 0.54 -1.36 0.03 0.00 -1.81 0.00 0.00 61.98 59.38 3hk4 s VAL 95 Cb -0.40 -1.56 0.03 0.00 0.56 0.00 0.00 36.38 35.01 3hk4 s VAL 95 CO 0.46 -0.56 0.23 0.41 -0.31 0.00 0.00 175.10 175.33 3hk4 n THR 96 N -0.09 0.00 0.00 5.32 -1.04 -1.26 -1.37 114.28 115.84 3hk4 n THR 96 Ca -0.12 -1.54 0.00 0.00 -2.04 0.00 0.00 64.05 60.35 3hk4 n THR 96 Cb 0.63 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 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 -1.76 0.00 -3.96 8.00 -0.08 -1.26 -4.93 116.55 112.55 3hk4 n ASP 98 Ca -0.04 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.15 3hk4 n ASP 98 Cb 0.44 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.83 3hk4 n ASP 98 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 3hk4 s GLU 99 N 0.00 1.22 -0.10 -0.67 -1.05 -0.37 -4.72 118.70 113.01 3hk4 s GLU 99 Ca 0.00 -1.18 0.03 0.00 -0.15 0.00 0.00 54.97 53.66 3hk4 s GLU 99 Cb 0.00 0.39 -0.01 0.00 -0.44 0.00 0.00 34.13 34.07 3hk4 s GLU 99 CO 0.00 -0.46 -0.20 0.08 0.95 0.00 0.00 175.26 175.63 3hk4 s VAL 100 N -3.98 2.48 -0.11 1.83 1.01 -0.23 -0.77 120.40 120.63 3hk4 s VAL 100 Ca 0.18 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 3hk4 s VAL 100 Cb 0.03 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 3hk4 s VAL 100 CO 0.02 0.55 -0.05 -0.83 0.00 0.00 0.00 175.10 174.78 3hk4 s GLY 101 N 0.21 1.72 -0.16 4.51 0.00 -0.23 -0.37 107.32 112.98 3hk4 s GLY 101 Ca -0.12 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.76 3hk4 s GLY 101 CO 0.07 -0.39 -0.17 -2.27 0.00 0.00 0.00 173.10 170.34 3hk4 s LEU 102 N -0.28 2.35 -0.16 0.66 2.96 0.19 -0.55 118.68 123.85 3hk4 s LEU 102 Ca 0.04 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 3hk4 s LEU 102 Cb -0.13 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.04 3hk4 s LEU 102 CO 0.02 0.06 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.63 3hk4 s TYR 103 N 0.93 2.77 -0.18 5.38 1.51 0.65 -1.19 117.35 127.22 3hk4 s TYR 103 Ca -0.03 -1.27 -0.11 0.00 -1.01 0.00 0.00 57.07 54.64 3hk4 s TYR 103 Cb -0.15 -1.90 -0.05 0.00 -0.11 0.00 0.00 41.96 39.76 3hk4 s TYR 103 CO -0.03 -0.61 0.18 0.99 -1.11 0.00 0.00 175.55 174.97 3hk4 s THR 104 N 1.00 5.39 -0.11 -0.71 2.01 -0.10 -1.18 115.64 121.92 3hk4 s THR 104 Ca -0.02 0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.30 3hk4 s THR 104 Cb -0.15 -3.51 -0.00 0.00 0.01 0.00 0.00 72.50 68.85 3hk4 s THR 104 CO -0.04 0.45 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.43 3hk4 s VAL 105 N 0.22 2.26 -0.03 3.82 1.01 0.29 -0.36 120.40 127.61 3hk4 s VAL 105 Ca 0.11 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.17 3hk4 s VAL 105 Cb -0.12 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.38 3hk4 s VAL 105 CO 0.00 0.55 -0.06 -1.59 0.00 0.00 0.00 175.10 174.00 3hk4 s LYS 106 N 0.42 0.79 -1.64 2.72 -2.85 -0.52 -4.84 119.74 113.83 3hk4 s LYS 106 Ca -0.16 -0.19 -0.16 0.00 -1.00 0.00 0.00 55.97 54.46 3hk4 s LYS 106 Cb -0.17 -0.77 0.13 0.00 -2.06 0.00 0.00 37.83 34.96 3hk4 s LYS 106 CO 0.07 0.03 0.82 0.09 0.10 0.00 0.00 175.35 176.46 3hk4 n ASN 107 N 3.54 -3.54 0.00 0.03 3.02 -1.26 -1.14 115.26 115.91 3hk4 n ASN 107 Ca -0.20 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 3hk4 n ASN 107 Cb 0.53 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.60 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 -1.52 0.42 3.18 7.41 0.00 -1.26 -5.00 105.19 108.41 3hk4 n GLY 108 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.50 0.84 -0.36 1.61 -0.14 -0.30 -4.94 119.74 115.96 3hk4 s LYS 109 Ca 0.00 -0.98 -0.29 0.00 -1.36 0.00 0.00 55.97 53.34 3hk4 s LYS 109 Cb 0.00 -0.83 0.02 0.00 -1.68 0.00 0.00 37.83 35.34 3hk4 s LYS 109 CO 0.00 0.18 1.13 0.42 -0.76 0.00 0.00 175.35 176.32 3hk4 s ILE 110 N -1.37 4.37 -0.28 2.17 1.01 0.36 -1.44 121.20 126.02 3hk4 s ILE 110 Ca -0.01 1.53 0.23 0.00 0.00 0.00 0.00 60.65 62.39 3hk4 s ILE 110 Cb -0.09 -4.42 -0.11 0.00 0.01 0.00 0.00 42.46 37.84 3hk4 s ILE 110 CO 0.02 -0.62 0.91 0.35 0.00 0.00 0.00 174.94 175.60 3hk4 n THR 111 N 6.19 0.36 -3.72 2.92 -2.24 0.52 -0.31 114.28 117.99 3hk4 n THR 111 Ca 0.12 -0.46 -0.14 0.00 -2.27 0.00 0.00 64.05 61.31 3hk4 n THR 111 Cb 0.47 -0.12 -0.09 0.00 -2.10 0.00 0.00 70.33 68.49 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 -3.36 0.58 -0.05 -0.78 2.12 -1.20 -1.79 118.70 114.21 3hk4 s GLU 112 Ca -0.01 0.43 0.02 0.00 0.36 0.00 0.00 54.97 55.77 3hk4 s GLU 112 Cb 0.12 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.79 3hk4 s GLU 112 CO 0.82 -0.10 -0.10 -1.83 -0.54 0.00 0.00 175.26 173.51 3hk4 s GLU 113 N -0.16 1.36 -0.06 4.30 -1.05 -0.61 -0.93 118.70 121.55 3hk4 s GLU 113 Ca -0.03 -0.34 0.02 0.00 -0.15 0.00 0.00 54.97 54.46 3hk4 s GLU 113 Cb -0.03 -1.18 0.02 0.00 -0.44 0.00 0.00 34.13 32.49 3hk4 s GLU 113 CO 0.02 0.04 -0.09 0.50 0.95 0.00 0.00 175.26 176.68 3hk4 s ARG 114 N 0.55 1.37 -0.08 -4.83 3.52 -0.33 -0.87 118.95 118.28 3hk4 s ARG 114 Ca -0.11 -0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 55.19 3hk4 s ARG 114 Cb -0.14 -1.19 -0.03 0.00 -1.56 0.00 0.00 34.95 32.03 3hk4 s ARG 114 CO 0.02 -0.02 -0.02 -0.06 -0.81 0.00 0.00 175.30 174.41 3hk4 s PHE 115 N 0.77 3.08 -0.07 5.12 0.08 -0.17 -0.64 117.98 126.15 3hk4 s PHE 115 Ca -0.13 0.11 0.05 0.00 0.12 0.00 0.00 56.93 57.08 3hk4 s PHE 115 Cb -0.15 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.51 3hk4 s PHE 115 CO 0.02 0.40 -0.22 0.71 -0.10 0.00 0.00 175.22 176.03 3hk4 s TYR 116 N -0.78 2.54 0.00 0.36 1.51 0.50 -3.12 117.35 118.36 3hk4 s TYR 116 Ca 0.12 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.49 3hk4 s TYR 116 Cb -0.11 -1.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 3hk4 s TYR 116 CO 0.02 -0.20 0.00 0.98 -1.11 0.00 0.00 175.55 175.25