#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hoz n THR 3 N 0.00 0.00 -2.99 1.09 -1.04 -1.26 -4.93 114.28 105.15 3hoz n THR 3 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 3hoz n THR 3 Cb 0.00 -0.21 0.01 0.00 -1.82 0.00 0.00 70.33 68.31 3hoz n THR 3 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3hoz s PHE 4 N 1.96 2.88 0.27 -1.42 5.36 -1.26 -5.09 117.98 120.70 3hoz s PHE 4 Ca 0.48 -0.26 0.03 0.00 -0.96 0.00 0.00 56.93 56.23 3hoz s PHE 4 Cb -0.64 -2.40 -0.04 0.00 -0.34 0.00 0.00 43.02 39.60 3hoz s PHE 4 CO 0.32 -0.46 0.20 -0.98 -1.46 0.00 0.00 175.22 172.84 3hoz s ARG 5 N -4.42 1.51 0.34 10.12 1.70 -1.26 -5.15 118.95 121.78 3hoz s ARG 5 Ca 0.54 -1.85 0.07 0.00 -0.47 0.00 0.00 55.73 54.02 3hoz s ARG 5 Cb -0.10 0.23 -0.07 0.00 -0.57 0.00 0.00 34.95 34.44 3hoz s ARG 5 CO 0.34 -0.51 -0.04 -0.06 -1.08 0.00 0.00 175.30 173.94 3hoz s PHE 6 N -3.75 2.24 0.41 5.89 0.40 -1.26 -3.57 117.98 118.34 3hoz s PHE 6 Ca 0.39 -0.65 -0.16 0.00 -0.60 0.00 0.00 56.93 55.92 3hoz s PHE 6 Cb 0.05 -1.37 -0.08 0.00 0.51 0.00 0.00 43.02 42.12 3hoz s PHE 6 CO 0.20 0.40 0.85 0.00 0.70 0.00 0.00 175.22 177.37 3hoz n ARG 8 N -0.96 1.22 0.00 0.00 1.74 -1.26 -3.11 116.66 114.29 3hoz n ARG 8 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3hoz n ARG 8 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 3hoz n ARG 8 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hoz n ASP 9 N 0.00 0.00 -3.33 0.55 9.92 -1.26 -3.79 116.55 118.64 3hoz n ASP 9 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.97 3hoz n ASP 9 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 3hoz n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hoz n ASN 11 N 0.51 -0.12 -2.07 0.00 2.85 -1.18 -4.82 115.26 110.42 3hoz n ASN 11 Ca 0.31 -0.08 -0.05 0.00 -0.11 0.00 0.00 54.58 54.64 3hoz n ASN 11 Cb 0.39 -0.04 -0.01 0.00 1.24 0.00 0.00 39.78 41.36 3hoz n ASN 11 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3hoz n ASN 12 N 0.30 1.29 -4.84 1.20 5.03 -1.26 -4.95 115.26 112.04 3hoz n ASN 12 Ca 0.01 -1.43 -0.34 0.00 0.87 0.00 0.00 54.58 53.69 3hoz n ASN 12 Cb 0.03 0.17 -0.06 0.00 -1.02 0.00 0.00 39.78 38.90 3hoz n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3hoz s MET 13 N -2.32 4.08 -0.21 3.52 -2.45 -1.26 -3.47 119.30 117.19 3hoz s MET 13 Ca 0.03 0.68 -0.08 0.00 -1.25 0.00 0.00 55.69 55.06 3hoz s MET 13 Cb 0.00 -2.74 -0.04 0.00 1.25 0.00 0.00 34.83 33.30 3hoz s MET 13 CO 0.02 0.33 0.10 -0.51 1.05 0.00 0.00 175.02 176.01 3hoz s LEU 14 N -2.34 3.88 0.14 4.11 1.43 -1.23 -4.61 118.68 120.05 3hoz s LEU 14 Ca 0.46 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 3hoz s LEU 14 Cb -0.14 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 3hoz s LEU 14 CO 0.20 0.11 0.28 -0.31 0.23 0.00 0.00 176.35 176.86 3hoz s TYR 15 N 0.74 3.49 0.10 0.29 1.51 -0.41 -4.70 117.35 118.37 3hoz s TYR 15 Ca 0.05 0.16 -0.16 0.00 -1.01 0.00 0.00 57.07 56.11 3hoz s TYR 15 Cb -0.13 -1.70 -0.07 0.00 -0.11 0.00 0.00 41.96 39.96 3hoz s TYR 15 CO 0.02 0.52 0.53 -1.25 -1.11 0.00 0.00 175.55 174.26 3hoz s PRO 16 N -3.12 4.04 0.11 -1.71 0.04 -1.26 -0.20 135.00 132.91 3hoz s PRO 16 Ca 0.35 0.56 0.03 0.00 0.04 0.00 0.00 61.00 61.97 3hoz s PRO 16 Cb -0.11 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 3hoz s PRO 16 CO 0.28 0.56 -0.07 1.03 0.04 0.00 0.00 177.00 178.84 3hoz s ARG 17 N -1.56 0.91 -0.10 4.56 0.52 0.46 -4.96 118.95 118.77 3hoz s ARG 17 Ca 0.33 -1.37 0.02 0.00 -0.52 0.00 0.00 55.73 54.19 3hoz s ARG 17 Cb -0.17 -0.33 -0.01 0.00 0.52 0.00 0.00 34.95 34.97 3hoz s ARG 17 CO 0.18 0.01 -0.18 -2.00 0.02 0.00 0.00 175.30 173.33 3hoz s GLU 18 N -3.81 3.05 -0.87 3.54 2.12 -1.26 -0.19 118.70 121.27 3hoz s GLU 18 Ca 0.14 -0.78 -0.23 0.00 0.36 0.00 0.00 54.97 54.46 3hoz s GLU 18 Cb 0.05 -2.43 0.06 0.00 0.26 0.00 0.00 34.13 32.06 3hoz s GLU 18 CO -0.03 0.28 1.27 0.34 -0.54 0.00 0.00 175.26 176.59 3hoz s ASP 19 N 0.13 6.38 0.08 -1.70 -1.08 -0.29 -4.85 116.67 115.33 3hoz s ASP 19 Ca -0.09 -1.20 -0.25 0.00 -0.52 0.00 0.00 52.55 50.48 3hoz s ASP 19 Cb -0.15 -2.51 -0.16 0.00 -1.46 0.00 0.00 42.92 38.63 3hoz s ASP 19 CO 0.06 -1.52 1.68 0.11 0.52 0.00 0.00 175.17 176.02 3hoz h LYS 20 N 9.66 -0.21 -0.00 4.34 1.57 -1.97 0.59 116.57 130.55 3hoz h LYS 20 Ca -0.02 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3hoz h LYS 20 Cb 1.03 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.34 3hoz h LYS 20 CO 1.30 -0.11 -0.34 1.49 -0.57 0.00 0.00 179.45 181.21 3hoz h GLU 21 N -0.25 -0.48 0.00 3.15 4.81 -1.99 -3.13 114.58 116.69 3hoz h GLU 21 Ca -0.02 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3hoz h GLU 21 Cb 0.20 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3hoz h GLU 21 CO 0.04 -0.32 -0.61 0.09 -0.73 0.00 0.00 179.01 177.48 3hoz n ASN 22 N -5.42 0.58 -2.35 1.04 3.02 -1.21 -5.02 115.26 105.89 3hoz n ASN 22 Ca -0.05 -0.13 -0.02 0.00 -0.03 0.00 0.00 54.58 54.36 3hoz n ASN 22 Cb 0.34 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 3hoz n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hoz n ASN 23 N -1.75 -5.37 -3.51 6.41 4.13 0.20 -5.06 115.26 110.31 3hoz n ASN 23 Ca 0.04 0.09 -0.16 0.00 1.68 0.00 0.00 54.58 56.23 3hoz n ASN 23 Cb 0.38 -3.50 -0.05 0.00 -1.54 0.00 0.00 39.78 35.07 3hoz n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hoz s ARG 24 N -2.59 1.03 -0.03 3.52 1.70 -1.12 -4.99 118.95 116.47 3hoz s ARG 24 Ca 0.05 0.16 -0.26 0.00 -0.47 0.00 0.00 55.73 55.21 3hoz s ARG 24 Cb -0.02 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 3hoz s ARG 24 CO 0.43 -0.34 0.83 -1.17 -1.08 0.00 0.00 175.30 173.97 3hoz s LEU 25 N -1.37 4.35 -0.11 -1.89 2.96 -1.26 -1.14 118.68 120.22 3hoz s LEU 25 Ca -0.09 1.42 0.01 0.00 -0.22 0.00 0.00 54.13 55.25 3hoz s LEU 25 Cb -0.00 -3.31 0.02 0.00 0.50 0.00 0.00 46.19 43.40 3hoz s LEU 25 CO 0.06 -0.17 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.04 3hoz s LEU 26 N 0.81 1.60 0.46 -0.68 1.43 0.73 0.47 118.68 123.51 3hoz s LEU 26 Ca 0.44 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 3hoz s LEU 26 Cb -0.19 -1.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 3hoz s LEU 26 CO 0.23 -0.02 0.70 -0.36 0.23 0.00 0.00 176.35 177.13 3hoz s PHE 27 N 1.20 3.37 0.12 0.29 2.99 0.67 0.17 117.98 126.80 3hoz s PHE 27 Ca -0.03 0.46 -0.10 0.00 0.00 0.00 0.00 56.93 57.26 3hoz s PHE 27 Cb -0.14 -2.28 0.04 0.00 0.00 0.00 0.00 43.02 40.64 3hoz s PHE 27 CO -0.04 -0.30 0.50 -0.85 -0.00 0.00 0.00 175.22 174.53 3hoz n GLU 28 N -2.13 0.39 -4.39 0.44 0.28 0.72 -1.44 120.64 114.50 3hoz n GLU 28 Ca 0.00 -0.85 -0.28 0.00 -0.16 0.00 0.00 57.16 55.88 3hoz n GLU 28 Cb 0.57 1.12 -0.13 0.00 1.43 0.00 0.00 31.44 34.43 3hoz n GLU 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hoz n ARG 30 N 0.71 2.81 -0.09 0.00 1.74 -1.26 -4.53 116.66 116.04 3hoz n ARG 30 Ca -0.16 -1.72 -0.16 0.00 -0.77 0.00 0.00 57.85 55.03 3hoz n ARG 30 Cb 0.54 -1.11 -0.07 0.00 -1.02 0.00 0.00 32.46 30.80 3hoz n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hoz n THR 31 N -0.44 0.99 -2.50 0.55 -1.04 -1.26 -5.04 114.28 105.55 3hoz n THR 31 Ca 0.04 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 3hoz n THR 31 Cb 0.33 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.37 3hoz n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hoz n SER 33 N 0.00 1.95 -4.26 0.00 7.64 -1.26 -4.72 113.62 112.97 3hoz n SER 33 Ca 0.00 -1.74 -0.35 0.00 1.01 0.00 0.00 58.87 57.79 3hoz n SER 33 Cb 0.00 -0.04 0.08 0.00 -1.01 0.00 0.00 64.21 63.23 3hoz n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hoz n TYR 34 N -0.11 -2.85 -3.60 1.43 9.36 -1.26 -4.83 117.16 115.28 3hoz n TYR 34 Ca 0.03 0.16 -0.03 0.00 3.32 0.00 0.00 57.90 61.38 3hoz n TYR 34 Cb 0.23 -1.67 -0.06 0.00 -0.63 0.00 0.00 39.34 37.22 3hoz n TYR 34 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3hoz s VAL 35 N -2.16 -0.38 0.05 2.97 1.01 -1.26 -3.16 120.40 117.46 3hoz s VAL 35 Ca 0.52 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.55 3hoz s VAL 35 Cb -0.23 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 3hoz s VAL 35 CO 0.72 0.00 -0.14 -1.83 0.00 0.00 0.00 175.10 173.85 3hoz s GLU 36 N 2.09 0.89 0.55 2.72 -1.05 -0.52 -4.99 118.70 118.39 3hoz s GLU 36 Ca -0.07 -0.79 -0.20 0.00 -0.15 0.00 0.00 54.97 53.75 3hoz s GLU 36 Cb -0.07 -0.90 -0.05 0.00 -0.44 0.00 0.00 34.13 32.67 3hoz s GLU 36 CO -0.18 0.22 1.22 -1.83 0.95 0.00 0.00 175.26 175.63 3hoz s GLU 37 N -1.27 3.21 0.77 -4.83 -1.05 -1.26 -0.24 118.70 114.04 3hoz s GLU 37 Ca 0.01 1.87 -0.14 0.00 -0.15 0.00 0.00 54.97 56.55 3hoz s GLU 37 Cb -0.08 -2.10 0.06 0.00 -0.44 0.00 0.00 34.13 31.57 3hoz s GLU 37 CO 0.01 -1.02 1.23 0.00 0.95 0.00 0.00 175.26 176.43 3hoz s ALA 38 N -1.54 1.95 -0.15 -0.84 0.00 0.18 -4.68 121.76 116.67 3hoz s ALA 38 Ca 0.73 0.94 0.21 0.00 0.00 0.00 0.00 51.96 53.84 3hoz s ALA 38 Cb -0.31 -3.51 -0.14 0.00 0.00 0.00 0.00 23.12 19.16 3hoz s ALA 38 CO 0.35 -2.15 0.79 0.41 0.00 0.00 0.00 175.76 175.16 3hoz n GLY 39 N 0.60 -1.26 3.52 0.00 0.00 -1.26 -4.97 105.19 101.81 3hoz n GLY 39 Ca 0.14 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 3hoz n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hoz s SER 40 N -5.20 -0.61 0.00 1.61 0.15 -1.26 -5.03 113.70 103.36 3hoz s SER 40 Ca -0.04 0.58 0.20 0.00 0.70 0.00 0.00 55.95 57.39 3hoz s SER 40 Cb 0.10 0.51 1.19 0.00 -1.71 0.00 0.00 66.02 66.12 3hoz s SER 40 CO 0.83 -0.62 1.58 -0.81 1.20 0.00 0.00 173.24 175.43 3hoz n PRO 41 N 0.71 0.65 -2.93 5.44 -0.04 -1.26 -4.56 135.00 133.01 3hoz n PRO 41 Ca -0.17 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.85 3hoz n PRO 41 Cb 0.58 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.52 3hoz n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hoz s LEU 42 N -1.97 4.70 0.06 1.53 2.96 -1.26 -4.88 118.68 119.81 3hoz s LEU 42 Ca 0.30 -1.19 -0.04 0.00 -0.22 0.00 0.00 54.13 52.98 3hoz s LEU 42 Cb 0.14 -2.39 -0.28 0.00 0.50 0.00 0.00 46.19 44.16 3hoz s LEU 42 CO 0.23 -1.33 1.07 0.58 -1.32 0.00 0.00 176.35 175.58 3hoz h VAL 43 N 5.95 1.41 -2.18 1.68 2.07 -1.97 -3.48 116.25 119.72 3hoz h VAL 43 Ca -0.26 -2.99 -0.05 0.00 0.82 0.00 0.00 66.70 64.23 3hoz h VAL 43 Cb 1.07 2.90 -0.22 0.00 -1.52 0.00 0.00 31.29 33.53 3hoz h VAL 43 CO 1.16 0.87 0.01 -0.47 0.02 0.00 0.00 177.57 179.16 3hoz s TYR 44 N -2.64 -0.77 -0.02 1.57 5.04 -1.26 -5.13 117.35 114.14 3hoz s TYR 44 Ca -0.05 1.78 0.04 0.00 -2.44 0.00 0.00 57.07 56.40 3hoz s TYR 44 Cb 0.07 0.32 -0.01 0.00 0.35 0.00 0.00 41.96 42.69 3hoz s TYR 44 CO 0.88 -0.38 -0.13 0.50 -1.34 0.00 0.00 175.55 175.08 3hoz s ARG 45 N 0.67 1.16 0.00 4.97 3.52 -1.26 -5.08 118.95 122.93 3hoz s ARG 45 Ca -0.03 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.10 3hoz s ARG 45 Cb -0.05 -1.10 0.00 0.00 -1.56 0.00 0.00 34.95 32.24 3hoz s ARG 45 CO -0.04 0.26 0.00 1.58 -0.81 0.00 0.00 175.30 176.29 3hoz n HIS 46 N 2.86 0.00 -1.94 5.12 -0.00 -1.26 -5.10 115.22 114.90 3hoz n HIS 46 Ca -0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.55 3hoz n HIS 46 Cb 0.55 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 30.39 3hoz n HIS 46 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 3hoz n GLU 47 N -1.99 -0.82 0.08 1.57 2.13 -1.26 -5.02 120.64 115.33 3hoz n GLU 47 Ca 0.00 1.05 -0.03 0.00 0.66 0.00 0.00 57.16 58.84 3hoz n GLU 47 Cb 0.00 -2.82 -0.02 0.00 0.27 0.00 0.00 31.44 28.87 3hoz n GLU 47 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3hoz h LEU 48 N 0.69 -0.18 -8.26 4.31 3.38 -2.08 -3.37 115.31 109.79 3hoz h LEU 48 Ca 0.00 0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.45 3hoz h LEU 48 Cb 0.29 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 3hoz h LEU 48 CO 0.06 -0.08 1.22 -0.63 0.09 0.00 0.00 178.44 179.10 3hoz s ILE 49 N -2.78 3.72 0.79 1.22 1.01 -1.26 -4.98 121.20 118.92 3hoz s ILE 49 Ca -0.03 -0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.32 3hoz s ILE 49 Cb 0.00 -4.73 0.06 0.00 0.01 0.00 0.00 42.46 37.80 3hoz s ILE 49 CO 0.10 -1.65 1.13 -0.89 0.00 0.00 0.00 174.94 173.62 3hoz s THR 50 N 6.43 2.74 0.00 2.92 2.01 -1.26 -5.00 115.64 123.47 3hoz s THR 50 Ca 0.48 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.72 3hoz s THR 50 Cb -0.05 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.31 3hoz s THR 50 CO 0.04 -0.31 0.00 0.59 -0.69 0.00 0.00 174.62 174.24 3hoz n ASN 51 N -3.30 0.00 -4.59 3.53 4.13 -1.26 -5.07 115.26 108.70 3hoz n ASN 51 Ca 0.07 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.91 3hoz n ASN 51 Cb 0.58 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.80 3hoz n ASN 51 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3hoz s ILE 52 N 0.00 3.91 0.00 2.41 -4.36 -1.26 -2.35 121.20 119.55 3hoz s ILE 52 Ca 0.00 0.87 0.00 0.00 -0.26 0.00 0.00 60.65 61.26 3hoz s ILE 52 Cb 0.00 -4.38 0.00 0.00 1.25 0.00 0.00 42.46 39.33 3hoz s ILE 52 CO 0.00 -0.98 0.00 0.61 0.24 0.00 0.00 174.94 174.81 3hoz n GLY 53 N 5.12 1.16 0.33 6.27 0.00 -1.26 -4.97 105.19 111.84 3hoz n GLY 53 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 3hoz n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hoz n GLU 54 N 0.00 0.02 -2.59 1.61 1.02 -0.99 -0.59 120.64 119.12 3hoz n GLU 54 Ca 0.00 0.85 -0.02 0.00 -0.02 0.00 0.00 57.16 57.98 3hoz n GLU 54 Cb 0.00 -2.27 0.10 0.00 -0.02 0.00 0.00 31.44 29.25 3hoz n GLU 54 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3hoz n THR 55 N -2.43 0.30 -0.72 2.62 -1.04 -1.26 -3.15 114.28 108.59 3hoz n THR 55 Ca 0.05 -1.40 -0.32 0.00 -2.04 0.00 0.00 64.05 60.34 3hoz n THR 55 Cb 0.99 1.05 0.15 0.00 -1.82 0.00 0.00 70.33 70.70 3hoz n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hoz n ALA 56 N -1.21 -2.87 -2.30 2.41 0.00 0.24 -4.44 120.51 112.34 3hoz n ALA 56 Ca -0.12 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.48 3hoz n ALA 56 Cb 0.86 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3hoz n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hoz n GLY 57 N 1.47 0.00 2.67 0.00 0.00 -1.26 -4.96 105.19 103.11 3hoz n GLY 57 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 3hoz n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hoz n VAL 58 N 2.16 0.97 -0.94 1.61 0.31 -1.26 -5.05 118.33 116.13 3hoz n VAL 58 Ca 0.00 -2.98 -0.35 0.00 -0.01 0.00 0.00 64.34 61.01 3hoz n VAL 58 Cb 0.00 0.72 0.08 0.00 -0.91 0.00 0.00 33.84 33.73 3hoz n VAL 58 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3hoz n VAL 59 N -0.12 0.19 -0.25 2.52 0.31 -1.26 -4.69 118.33 115.03 3hoz n VAL 59 Ca 0.08 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3hoz n VAL 59 Cb 0.82 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 3hoz n VAL 59 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3hoz n GLN 60 N 0.04 0.74 0.00 5.55 -0.06 -1.26 -1.03 117.38 121.36 3hoz n GLN 60 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.04 3hoz n GLN 60 Cb 0.54 -1.13 0.00 0.00 -4.06 0.00 0.00 30.24 25.59 3hoz n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3hoz n ASP 61 N 1.52 0.13 0.00 1.69 8.00 -1.26 -4.75 116.55 121.88 3hoz n ASP 61 Ca 0.00 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.05 3hoz n ASP 61 Cb 0.37 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 3hoz n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hoz n ILE 62 N -0.38 0.00 0.04 0.53 3.06 -0.20 0.26 119.36 122.67 3hoz n ILE 62 Ca 0.00 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.29 3hoz n ILE 62 Cb 0.03 -0.68 -0.07 0.00 0.54 0.00 0.00 39.64 39.47 3hoz n ILE 62 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3hoz n GLY 63 N -0.61 -0.33 0.65 4.50 0.00 -1.26 -4.48 105.19 103.65 3hoz n GLY 63 Ca 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.89 3hoz n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hoz n SER 64 N -1.74 1.93 -4.42 1.61 3.41 0.73 -4.72 113.62 110.42 3hoz n SER 64 Ca -0.01 -1.84 -0.44 0.00 -0.26 0.00 0.00 58.87 56.32 3hoz n SER 64 Cb 0.22 -0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 3hoz n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hoz s ASP 65 N -1.34 6.21 0.39 4.04 -1.08 -1.19 -4.91 116.67 118.78 3hoz s ASP 65 Ca 0.30 -1.12 0.07 0.00 -0.52 0.00 0.00 52.55 51.29 3hoz s ASP 65 Cb 0.16 -2.30 0.83 0.00 -1.46 0.00 0.00 42.92 40.15 3hoz s ASP 65 CO 0.23 -1.01 2.01 1.55 0.52 0.00 0.00 175.17 178.47 3hoz h PRO 66 N 9.10 0.61 -0.91 4.34 0.13 -1.95 -2.65 132.00 140.68 3hoz h PRO 66 Ca -0.28 -0.04 0.18 0.00 -0.87 0.00 0.00 66.00 64.99 3hoz h PRO 66 Cb 1.09 -0.14 -0.11 0.00 0.13 0.00 0.00 31.00 31.98 3hoz h PRO 66 CO 1.03 0.40 0.48 1.79 -0.23 0.00 0.00 178.00 181.47 3hoz h THR 67 N 0.63 0.66 -3.98 1.56 1.35 -1.98 -3.42 112.91 107.72 3hoz h THR 67 Ca 0.23 -0.21 -0.53 0.00 -0.55 0.00 0.00 66.41 65.35 3hoz h THR 67 Cb 0.14 -0.00 0.10 0.00 -1.73 0.00 0.00 68.15 66.66 3hoz h THR 67 CO -0.06 0.11 0.63 -0.76 -0.25 0.00 0.00 175.52 175.18 3hoz s LEU 68 N -10.37 4.10 0.67 3.87 1.43 -1.00 -5.01 118.68 112.36 3hoz s LEU 68 Ca -0.12 2.72 -0.12 0.00 -1.03 0.00 0.00 54.13 55.59 3hoz s LEU 68 Cb 0.24 -4.01 -0.00 0.00 0.03 0.00 0.00 46.19 42.44 3hoz s LEU 68 CO 0.79 -1.09 1.05 -2.16 0.23 0.00 0.00 176.35 175.17 3hoz s PRO 69 N -2.47 3.08 -0.06 1.29 0.04 -1.26 -4.99 135.00 130.62 3hoz s PRO 69 Ca 0.61 0.96 0.05 0.00 0.04 0.00 0.00 61.00 62.67 3hoz s PRO 69 Cb -0.39 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 3hoz s PRO 69 CO 0.50 -0.99 -0.23 1.03 0.04 0.00 0.00 177.00 177.35 3hoz s ARG 70 N -4.92 2.63 -0.06 4.56 1.81 -1.26 -3.46 118.95 118.25 3hoz s ARG 70 Ca 0.58 -0.86 0.05 0.00 -1.72 0.00 0.00 55.73 53.79 3hoz s ARG 70 Cb -0.14 -2.24 -0.01 0.00 -0.45 0.00 0.00 34.95 32.12 3hoz s ARG 70 CO 0.52 0.39 -0.22 -1.54 -0.68 0.00 0.00 175.30 173.77 3hoz s SER 71 N -0.18 2.78 -0.17 0.23 1.04 -1.03 -5.00 113.70 111.38 3hoz s SER 71 Ca -0.03 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 55.95 3hoz s SER 71 Cb -0.14 -0.84 0.22 0.00 0.10 0.00 0.00 66.02 65.36 3hoz s SER 71 CO 0.04 0.20 1.43 -0.90 0.98 0.00 0.00 173.24 174.99 3hoz n ASP 72 N 3.10 3.72 -4.86 7.02 5.75 -1.26 -2.75 116.55 127.27 3hoz n ASP 72 Ca -0.18 -2.62 -0.30 0.00 -0.01 0.00 0.00 54.79 51.68 3hoz n ASP 72 Cb 0.52 -0.69 0.05 0.00 -1.03 0.00 0.00 41.12 39.97 3hoz n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3hoz s ARG 73 N -1.19 2.92 -0.12 0.11 0.52 -1.26 -4.80 118.95 115.13 3hoz s ARG 73 Ca 0.20 0.60 -0.03 0.00 -0.52 0.00 0.00 55.73 55.99 3hoz s ARG 73 Cb 0.17 -2.02 -0.03 0.00 0.52 0.00 0.00 34.95 33.59 3hoz s ARG 73 CO 0.03 -1.02 0.01 -1.83 0.02 0.00 0.00 175.30 172.51 3hoz s GLU 74 N -5.26 3.31 0.99 3.54 -1.05 -1.26 -3.69 118.70 115.29 3hoz s GLU 74 Ca 0.58 -0.41 -0.12 0.00 -0.15 0.00 0.00 54.97 54.87 3hoz s GLU 74 Cb -0.12 -2.90 0.18 0.00 -0.44 0.00 0.00 34.13 30.85 3hoz s GLU 74 CO 0.53 0.54 1.10 0.00 0.95 0.00 0.00 175.26 178.38 3hoz h PRO 76 N -1.86 0.00 0.00 0.00 0.11 -1.96 -3.31 132.00 124.98 3hoz h PRO 76 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3hoz h PRO 76 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3hoz h PRO 76 CO 0.58 0.18 0.00 1.63 -0.21 0.00 0.00 178.00 180.18 3hoz n LYS 77 N -3.79 0.00 0.00 1.05 5.02 -1.26 -4.82 118.16 114.37 3hoz n LYS 77 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3hoz n LYS 77 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 3hoz n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hoz n HIS 79 N -0.25 -0.60 -1.70 0.00 8.25 -1.25 -4.85 115.22 114.81 3hoz n HIS 79 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3hoz n HIS 79 Cb 0.03 -0.78 -0.02 0.00 1.12 0.00 0.00 29.99 30.34 3hoz n HIS 79 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3hoz n SER 80 N 1.66 3.21 -0.78 0.41 7.64 -1.26 -4.29 113.62 120.22 3hoz n SER 80 Ca 0.00 1.15 0.03 0.00 1.01 0.00 0.00 58.87 61.07 3hoz n SER 80 Cb 0.00 -1.50 0.14 0.00 -1.01 0.00 0.00 64.21 61.84 3hoz n SER 80 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hoz n ARG 81 N 1.90 2.08 -3.49 1.43 5.12 -1.24 -2.98 116.66 119.47 3hoz n ARG 81 Ca 0.09 -1.09 -0.42 0.00 -1.93 0.00 0.00 57.85 54.50 3hoz n ARG 81 Cb 0.34 -1.52 -0.09 0.00 -1.16 0.00 0.00 32.46 30.03 3hoz n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3hoz s GLU 82 N -1.65 2.80 0.11 5.56 2.02 -1.26 -4.00 118.70 122.30 3hoz s GLU 82 Ca 0.20 -1.39 0.05 0.00 0.02 0.00 0.00 54.97 53.85 3hoz s GLU 82 Cb 0.13 -3.96 -0.04 0.00 0.10 0.00 0.00 34.13 30.36 3hoz s GLU 82 CO 0.09 -0.99 -0.13 -0.80 0.02 0.00 0.00 175.26 173.45 3hoz s ASN 83 N 2.35 1.88 -0.40 -0.19 0.01 -1.11 -0.42 114.94 117.06 3hoz s ASN 83 Ca 0.03 -0.79 0.06 0.00 -0.71 0.00 0.00 52.86 51.45 3hoz s ASN 83 Cb -0.24 -0.05 0.21 0.00 0.41 0.00 0.00 41.25 41.58 3hoz s ASN 83 CO 0.05 -0.16 0.44 0.55 -1.51 0.00 0.00 177.10 176.47 3hoz n VAL 84 N 0.61 -0.95 -1.40 1.60 3.14 -1.07 -2.47 118.33 117.80 3hoz n VAL 84 Ca -0.16 -3.62 -0.29 0.00 -2.96 0.00 0.00 64.34 57.32 3hoz n VAL 84 Cb 0.57 -1.70 0.15 0.00 -1.06 0.00 0.00 33.84 31.80 3hoz n VAL 84 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 3hoz s PHE 85 N -0.48 2.38 0.00 1.45 -0.00 -1.22 -4.23 117.98 115.88 3hoz s PHE 85 Ca 0.34 0.92 0.00 0.00 -0.00 0.00 0.00 56.93 58.19 3hoz s PHE 85 Cb 0.10 -3.33 0.00 0.00 -0.00 0.00 0.00 43.02 39.80 3hoz s PHE 85 CO -0.16 -2.52 0.00 1.97 -0.00 0.00 0.00 175.22 174.51 3hoz n PHE 86 N -3.89 -0.14 -4.60 3.49 1.16 -1.11 -4.35 117.46 108.03 3hoz n PHE 86 Ca 0.06 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.37 3hoz n PHE 86 Cb 0.58 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.36 3hoz n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3hoz s GLN 87 N 0.59 1.96 -0.32 3.97 -0.21 -1.26 -2.15 119.66 122.23 3hoz s GLN 87 Ca 0.00 -2.18 -0.35 0.00 0.02 0.00 0.00 55.36 52.85 3hoz s GLN 87 Cb 0.00 -1.13 -0.11 0.00 1.00 0.00 0.00 33.01 32.77 3hoz s GLN 87 CO 0.00 -0.31 2.15 0.45 -2.12 0.00 0.00 175.29 175.46 3hoz n SER 88 N -1.11 2.30 0.00 5.90 2.88 -1.26 -4.74 113.62 117.59 3hoz n SER 88 Ca -0.09 0.47 0.02 0.00 -1.33 0.00 0.00 58.87 57.94 3hoz n SER 88 Cb 0.66 -1.28 0.15 0.00 -0.75 0.00 0.00 64.21 62.99 3hoz n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hoz n GLN 89 N 7.99 0.22 -2.74 -1.46 1.13 -1.19 -4.35 117.38 116.98 3hoz n GLN 89 Ca 0.39 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 55.02 3hoz n GLN 89 Cb 0.24 -1.35 -0.03 0.00 0.11 0.00 0.00 30.24 29.21 3hoz n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3hoz s GLN 90 N -2.00 3.20 -0.95 -1.09 0.74 -1.26 -4.84 119.66 113.47 3hoz s GLN 90 Ca 0.07 -0.72 -0.13 0.00 0.05 0.00 0.00 55.36 54.64 3hoz s GLN 90 Cb 0.03 -4.33 -0.09 0.00 1.10 0.00 0.00 33.01 29.73 3hoz s GLN 90 CO 0.06 -1.95 2.11 0.54 -0.55 0.00 0.00 175.29 175.49 3hoz n ARG 91 N 8.26 2.04 -4.26 1.67 5.12 -1.26 -4.86 116.66 123.37 3hoz n ARG 91 Ca 0.03 -1.74 -0.28 0.00 -1.93 0.00 0.00 57.85 53.93 3hoz n ARG 91 Cb 0.47 -2.71 -0.09 0.00 -1.16 0.00 0.00 32.46 28.97 3hoz n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3hoz s ARG 92 N 3.89 2.10 0.11 5.56 3.52 -1.26 -5.05 118.95 127.83 3hoz s ARG 92 Ca 0.49 -1.18 -0.16 0.00 -0.13 0.00 0.00 55.73 54.75 3hoz s ARG 92 Cb 0.13 -2.22 -0.04 0.00 -1.56 0.00 0.00 34.95 31.26 3hoz s ARG 92 CO 0.02 0.46 1.54 1.57 -0.81 0.00 0.00 175.30 178.08 3hoz h LYS 93 N 3.11 0.64 0.00 5.12 -0.00 -2.04 -3.18 116.57 120.22 3hoz h LYS 93 Ca -0.47 -0.22 0.00 0.00 -0.00 0.00 0.00 60.65 59.96 3hoz h LYS 93 Cb 1.19 -0.05 0.00 0.00 -0.00 0.00 0.00 32.23 33.37 3hoz h LYS 93 CO 0.54 0.77 0.00 -0.40 -0.00 0.00 0.00 179.45 180.35 3hoz n ASP 94 N -4.48 0.46 -4.10 7.07 5.75 -1.26 -4.92 116.55 115.07 3hoz n ASP 94 Ca -0.02 0.57 -0.38 0.00 -0.01 0.00 0.00 54.79 54.95 3hoz n ASP 94 Cb 0.29 -0.68 0.01 0.00 -1.03 0.00 0.00 41.12 39.71 3hoz n ASP 94 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3hoz n THR 95 N -1.96 0.08 -2.62 2.12 -1.04 -1.20 -4.97 114.28 104.68 3hoz n THR 95 Ca 0.05 -0.48 -0.23 0.00 -2.04 0.00 0.00 64.05 61.35 3hoz n THR 95 Cb 0.31 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.92 3hoz n THR 95 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3hoz s SER 96 N -0.96 4.53 -0.66 8.00 1.04 -1.26 -5.03 113.70 119.36 3hoz s SER 96 Ca 0.55 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.66 3hoz s SER 96 Cb -0.50 -0.13 0.38 0.00 0.10 0.00 0.00 66.02 65.87 3hoz s SER 96 CO 0.63 -1.72 1.53 0.23 0.98 0.00 0.00 173.24 174.89 3hoz n MET 97 N -2.73 3.25 -3.54 4.02 2.81 -1.26 -4.75 117.12 114.93 3hoz n MET 97 Ca 0.14 -4.12 -0.30 0.00 -1.81 0.00 0.00 57.70 51.61 3hoz n MET 97 Cb 0.60 -2.27 -0.04 0.00 -0.71 0.00 0.00 33.22 30.80 3hoz n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hoz s VAL 98 N -5.21 5.09 0.09 2.03 1.01 -1.26 -5.08 120.40 117.07 3hoz s VAL 98 Ca 0.49 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 3hoz s VAL 98 Cb 0.40 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 3hoz s VAL 98 CO -0.28 -0.13 0.29 -0.76 0.00 0.00 0.00 175.10 174.22 3hoz s LEU 99 N -3.07 4.32 -0.26 3.92 1.43 -1.26 -4.26 118.68 119.49 3hoz s LEU 99 Ca 0.42 0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.98 3hoz s LEU 99 Cb -0.11 -3.08 0.07 0.00 0.03 0.00 0.00 46.19 43.10 3hoz s LEU 99 CO 0.26 0.13 -0.05 -0.36 0.23 0.00 0.00 176.35 176.56 3hoz s PHE 100 N -1.55 2.89 0.10 0.29 0.40 -0.92 -2.98 117.98 116.22 3hoz s PHE 100 Ca 0.37 -2.16 -0.10 0.00 -0.60 0.00 0.00 56.93 54.43 3hoz s PHE 100 Cb -0.13 -1.92 -0.06 0.00 0.51 0.00 0.00 43.02 41.42 3hoz s PHE 100 CO 0.25 -0.85 0.43 -0.06 0.70 0.00 0.00 175.22 175.70 3hoz s PHE 101 N 1.22 3.58 -0.14 0.36 0.40 0.08 -2.74 117.98 120.75 3hoz s PHE 101 Ca -0.04 0.83 0.01 0.00 -0.60 0.00 0.00 56.93 57.13 3hoz s PHE 101 Cb -0.19 -2.19 0.02 0.00 0.51 0.00 0.00 43.02 41.17 3hoz s PHE 101 CO -0.07 0.49 -0.14 0.08 0.70 0.00 0.00 175.22 176.28 3hoz s VAL 102 N -1.43 1.53 0.24 -0.44 1.01 -1.26 -1.85 120.40 118.20 3hoz s VAL 102 Ca 0.34 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 3hoz s VAL 102 Cb -0.14 -1.43 -0.10 0.00 0.00 0.00 0.00 36.38 34.71 3hoz s VAL 102 CO 0.19 0.45 1.50 0.00 0.00 0.00 0.00 175.10 177.24 3hoz h LEU 104 N 5.41 0.00 -5.80 0.00 3.38 -1.12 -2.54 115.31 114.64 3hoz h LEU 104 Ca -0.45 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 56.76 3hoz h LEU 104 Cb 1.21 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.66 3hoz h LEU 104 CO 0.81 0.29 0.65 -1.20 0.09 0.00 0.00 178.44 179.08 3hoz n SER 105 N -3.17 6.74 0.00 -0.43 7.64 -1.26 -4.64 113.62 118.50 3hoz n SER 105 Ca 0.03 -3.71 0.00 0.00 1.01 0.00 0.00 58.87 56.19 3hoz n SER 105 Cb 0.65 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 3hoz n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hoz n SER 107 N 0.00 -2.93 -4.50 0.00 7.64 -0.96 -5.02 113.62 107.85 3hoz n SER 107 Ca 0.00 -0.24 -0.37 0.00 1.01 0.00 0.00 58.87 59.26 3hoz n SER 107 Cb 0.00 -2.43 -0.12 0.00 -1.01 0.00 0.00 64.21 60.65 3hoz n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3hoz s HIS 108 N -3.14 3.15 -0.69 1.43 5.65 -1.26 -4.87 115.29 115.56 3hoz s HIS 108 Ca 0.12 -0.25 -0.21 0.00 0.25 0.00 0.00 55.06 54.97 3hoz s HIS 108 Cb -0.05 -2.32 0.09 0.00 -1.18 0.00 0.00 32.58 29.11 3hoz s HIS 108 CO 0.31 -0.30 0.94 0.42 -0.65 0.00 0.00 174.74 175.46 3hoz s ILE 109 N 1.67 4.47 0.12 0.89 1.01 -1.26 -2.96 121.20 125.14 3hoz s ILE 109 Ca 0.06 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.15 3hoz s ILE 109 Cb -0.16 -4.67 -0.04 0.00 0.01 0.00 0.00 42.46 37.61 3hoz s ILE 109 CO 0.07 -1.41 -0.16 0.72 0.00 0.00 0.00 174.94 174.16 3hoz s PHE 110 N 3.62 2.57 0.58 3.97 -0.12 -0.77 -4.86 117.98 122.98 3hoz s PHE 110 Ca 0.22 -0.24 0.01 0.00 -0.05 0.00 0.00 56.93 56.86 3hoz s PHE 110 Cb -0.16 -1.35 0.11 0.00 -0.63 0.00 0.00 43.02 40.98 3hoz s PHE 110 CO 0.07 0.40 0.79 -2.37 -0.05 0.00 0.00 175.22 174.06 3hoz n THR 111 N 0.73 0.00 -0.39 -4.49 5.66 -1.26 -0.74 114.28 113.79 3hoz n THR 111 Ca -0.15 -1.31 0.02 0.00 -3.05 0.00 0.00 64.05 59.56 3hoz n THR 111 Cb 0.53 -0.94 0.03 0.00 -1.55 0.00 0.00 70.33 68.40 3hoz n THR 111 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3hoz n SER 112 N -2.87 1.79 -4.73 1.09 3.41 -1.16 -4.88 113.62 106.28 3hoz n SER 112 Ca 0.13 -2.11 -0.38 0.00 -0.26 0.00 0.00 58.87 56.25 3hoz n SER 112 Cb 0.48 -0.09 0.06 0.00 -0.26 0.00 0.00 64.21 64.40 3hoz n SER 112 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3hoz n ASP 113 N -0.62 2.20 -2.79 4.04 -0.08 -1.26 -4.94 116.55 113.09 3hoz n ASP 113 Ca 0.03 0.87 -0.02 0.00 -1.51 0.00 0.00 54.79 54.17 3hoz n ASP 113 Cb 0.37 -1.55 0.05 0.00 2.34 0.00 0.00 41.12 42.33 3hoz n ASP 113 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hoz n GLN 114 N -1.58 1.59 0.12 -0.67 6.02 -1.26 -4.81 117.38 116.79 3hoz n GLN 114 Ca 0.14 -3.25 0.00 0.00 -0.01 0.00 0.00 57.00 53.88 3hoz n GLN 114 Cb 0.47 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.38 3hoz n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3hoz n LYS 115 N -0.58 0.00 -3.53 -1.09 5.02 -1.26 -5.12 118.16 111.59 3hoz n LYS 115 Ca 0.05 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.14 3hoz n LYS 115 Cb 0.81 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.80 3hoz n LYS 115 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hoz s ASN 116 N -4.09 5.37 -0.13 4.39 0.01 -1.26 -5.13 114.94 114.09 3hoz s ASN 116 Ca 0.00 -0.53 -0.04 0.00 -0.71 0.00 0.00 52.86 51.58 3hoz s ASN 116 Cb 0.00 -0.81 0.07 0.00 0.41 0.00 0.00 41.25 40.91 3hoz s ASN 116 CO 0.00 -0.54 0.21 -0.54 -1.51 0.00 0.00 177.10 174.71 3hoz s LYS 117 N -4.13 0.11 0.53 -0.60 3.01 -1.26 -4.74 119.74 112.66 3hoz s LYS 117 Ca 0.47 0.51 0.08 0.00 -1.01 0.00 0.00 55.97 56.02 3hoz s LYS 117 Cb -0.06 -0.49 0.05 0.00 -1.01 0.00 0.00 37.83 36.32 3hoz s LYS 117 CO 0.29 -0.41 0.63 1.03 0.51 0.00 0.00 175.35 177.41 3hoz s ARG 118 N 2.34 2.40 0.00 1.68 0.52 -1.26 -5.04 118.95 119.59 3hoz s ARG 118 Ca 0.04 -1.65 0.00 0.00 -0.52 0.00 0.00 55.73 53.59 3hoz s ARG 118 Cb -0.13 -2.52 0.00 0.00 0.52 0.00 0.00 34.95 32.82 3hoz s ARG 118 CO -0.08 -0.65 0.20 2.41 0.02 0.00 0.00 175.30 177.19 3hoz n THR 119 N -2.01 0.03 1.68 0.02 -1.04 -1.26 -4.99 114.28 106.70 3hoz n THR 119 Ca 0.10 -0.17 0.15 0.00 -2.04 0.00 0.00 64.05 62.09 3hoz n THR 119 Cb 0.62 1.62 0.68 0.00 -1.82 0.00 0.00 70.33 71.42 3hoz n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43