#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3v n THR 3 N 0.00 0.00 -2.49 12.58 -1.04 -1.26 -4.90 114.28 117.18 3h3v n THR 3 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 3h3v n THR 3 Cb 0.00 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 3h3v n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3h3v s PHE 4 N 0.00 2.23 0.39 -1.42 -0.12 -1.26 -5.08 117.98 112.72 3h3v s PHE 4 Ca 0.00 -0.02 0.04 0.00 -0.05 0.00 0.00 56.93 56.90 3h3v s PHE 4 Cb 0.00 -3.03 -0.04 0.00 -0.63 0.00 0.00 43.02 39.32 3h3v s PHE 4 CO 0.00 -1.46 0.08 1.03 -0.05 0.00 0.00 175.22 174.82 3h3v s ARG 5 N -5.09 1.84 0.22 1.99 0.52 -1.26 -5.10 118.95 112.06 3h3v s ARG 5 Ca 0.63 -2.09 0.11 0.00 -0.52 0.00 0.00 55.73 53.86 3h3v s ARG 5 Cb -0.08 -0.88 -0.05 0.00 0.52 0.00 0.00 34.95 34.47 3h3v s ARG 5 CO 0.43 -0.32 -0.22 -0.06 0.02 0.00 0.00 175.30 175.15 3h3v s PHE 6 N -3.19 2.21 -0.07 -0.53 2.99 -1.26 -2.72 117.98 115.41 3h3v s PHE 6 Ca 0.28 -0.37 -0.07 0.00 0.00 0.00 0.00 56.93 56.76 3h3v s PHE 6 Cb 0.05 -1.05 -0.04 0.00 0.00 0.00 0.00 43.02 41.98 3h3v s PHE 6 CO 0.14 0.54 0.19 0.00 -0.00 0.00 0.00 175.22 176.09 3h3v n ARG 8 N 1.66 -1.98 0.00 0.00 1.85 -1.26 -3.06 116.66 113.88 3h3v n ARG 8 Ca -0.17 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.62 3h3v n ARG 8 Cb 0.54 -0.08 0.00 0.00 -1.05 0.00 0.00 32.46 31.87 3h3v n ARG 8 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3h3v n ASP 9 N -3.01 0.00 -4.29 2.89 9.92 -1.26 -4.17 116.55 116.64 3h3v n ASP 9 Ca 0.01 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.83 3h3v n ASP 9 Cb 0.02 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.49 3h3v n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h3v n ASN 11 N 2.85 -1.82 0.00 0.00 5.15 -1.17 -4.70 115.26 115.58 3h3v n ASN 11 Ca 0.21 -1.11 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 3h3v n ASN 11 Cb 0.40 -0.58 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 3h3v n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3h3v n ASN 12 N 4.85 0.00 -4.94 1.20 5.03 -1.25 -4.92 115.26 115.22 3h3v n ASN 12 Ca 0.24 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.49 3h3v n ASN 12 Cb 0.38 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.12 3h3v n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3h3v s MET 13 N 2.38 2.91 -0.21 3.52 -2.45 -1.26 -3.86 119.30 120.33 3h3v s MET 13 Ca 0.00 -1.18 0.01 0.00 -1.25 0.00 0.00 55.69 53.28 3h3v s MET 13 Cb 0.00 -2.67 0.04 0.00 1.25 0.00 0.00 34.83 33.45 3h3v s MET 13 CO 0.00 -0.01 -0.13 -0.51 1.05 0.00 0.00 175.02 175.42 3h3v s LEU 14 N -4.15 2.56 -0.21 4.11 1.43 -1.10 -4.44 118.68 116.87 3h3v s LEU 14 Ca 0.46 -0.96 -0.13 0.00 -1.03 0.00 0.00 54.13 52.47 3h3v s LEU 14 Cb -0.08 -1.38 -0.05 0.00 0.03 0.00 0.00 46.19 44.71 3h3v s LEU 14 CO 0.30 -0.12 0.26 -0.31 0.23 0.00 0.00 176.35 176.71 3h3v s TYR 15 N 1.29 3.37 0.31 0.29 1.51 -0.88 -4.62 117.35 118.63 3h3v s TYR 15 Ca -0.02 0.43 -0.29 0.00 -1.01 0.00 0.00 57.07 56.19 3h3v s TYR 15 Cb -0.16 -2.35 -0.10 0.00 -0.11 0.00 0.00 41.96 39.23 3h3v s TYR 15 CO -0.09 0.10 1.18 -1.25 -1.11 0.00 0.00 175.55 174.39 3h3v s PRO 16 N 0.95 4.47 0.48 -1.71 0.04 -1.26 -1.74 135.00 136.22 3h3v s PRO 16 Ca 0.13 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.15 3h3v s PRO 16 Cb -0.13 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 3h3v s PRO 16 CO 0.05 0.00 0.08 0.54 0.04 0.00 0.00 177.00 177.71 3h3v n ARG 17 N 0.91 0.64 -4.56 4.56 5.12 0.36 -4.96 116.66 118.74 3h3v n ARG 17 Ca -0.00 -3.73 -0.23 0.00 -1.93 0.00 0.00 57.85 51.96 3h3v n ARG 17 Cb 0.44 1.49 -0.16 0.00 -1.16 0.00 0.00 32.46 33.08 3h3v n ARG 17 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3h3v s GLU 18 N -3.77 1.31 -1.19 5.56 2.12 -1.26 -2.43 118.70 119.05 3h3v s GLU 18 Ca 0.11 -0.41 -0.16 0.00 0.36 0.00 0.00 54.97 54.86 3h3v s GLU 18 Cb 0.01 -1.17 0.13 0.00 0.26 0.00 0.00 34.13 33.36 3h3v s GLU 18 CO 0.08 0.14 1.48 0.34 -0.54 0.00 0.00 175.26 176.76 3h3v s ASP 19 N 0.21 6.93 0.22 -1.70 -1.08 -0.42 -4.84 116.67 115.98 3h3v s ASP 19 Ca -0.05 -2.66 -0.07 0.00 -0.52 0.00 0.00 52.55 49.25 3h3v s ASP 19 Cb -0.10 -2.46 0.34 0.00 -1.46 0.00 0.00 42.92 39.24 3h3v s ASP 19 CO 0.01 -0.93 1.75 0.11 0.52 0.00 0.00 175.17 176.63 3h3v h LYS 20 N 7.61 0.45 0.00 4.34 1.57 -1.97 0.88 116.57 129.45 3h3v h LYS 20 Ca 0.32 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 3h3v h LYS 20 Cb 0.90 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 3h3v h LYS 20 CO 1.29 0.30 -0.10 1.49 -0.57 0.00 0.00 179.45 181.86 3h3v h GLU 21 N 0.46 0.00 0.00 3.15 4.81 -1.99 -3.28 114.58 117.73 3h3v h GLU 21 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 3h3v h GLU 21 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3h3v h GLU 21 CO -0.32 0.10 0.00 0.09 -0.73 0.00 0.00 179.01 178.14 3h3v n ASN 22 N -3.17 1.52 -3.41 1.04 3.02 -0.88 -5.06 115.26 108.32 3h3v n ASN 22 Ca 0.02 -1.56 -0.12 0.00 -0.03 0.00 0.00 54.58 52.89 3h3v n ASN 22 Cb 0.45 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 3h3v n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3h3v n ASN 23 N -0.28 -6.39 -3.68 6.41 3.02 0.30 -5.03 115.26 109.62 3h3v n ASN 23 Ca 0.00 -0.49 -0.08 0.00 -0.03 0.00 0.00 54.58 53.98 3h3v n ASN 23 Cb 0.15 -3.56 -0.02 0.00 -0.61 0.00 0.00 39.78 35.75 3h3v n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h3v s ARG 24 N -3.90 1.83 -0.15 3.52 1.70 -1.17 -4.99 118.95 115.78 3h3v s ARG 24 Ca 0.01 -1.18 -0.07 0.00 -0.47 0.00 0.00 55.73 54.02 3h3v s ARG 24 Cb -0.00 0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 34.91 3h3v s ARG 24 CO 0.82 -0.82 0.09 -1.17 -1.08 0.00 0.00 175.30 173.14 3h3v s LEU 25 N -2.99 4.05 -0.09 -1.89 2.96 -1.26 -1.31 118.68 118.16 3h3v s LEU 25 Ca 0.15 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 3h3v s LEU 25 Cb -0.04 -2.00 0.02 0.00 0.50 0.00 0.00 46.19 44.67 3h3v s LEU 25 CO 0.09 0.29 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.59 3h3v s LEU 26 N -0.32 1.17 0.62 -0.68 1.43 -1.02 0.29 118.68 120.17 3h3v s LEU 26 Ca 0.10 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3h3v s LEU 26 Cb -0.12 -0.69 0.07 0.00 0.03 0.00 0.00 46.19 45.48 3h3v s LEU 26 CO 0.01 -0.10 0.87 -0.36 0.23 0.00 0.00 176.35 177.00 3h3v s PHE 27 N 1.45 2.32 0.00 0.29 0.40 -1.02 0.14 117.98 121.55 3h3v s PHE 27 Ca -0.01 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 3h3v s PHE 27 Cb -0.13 -2.84 0.00 0.00 0.51 0.00 0.00 43.02 40.56 3h3v s PHE 27 CO -0.04 -1.22 0.00 -0.85 0.70 0.00 0.00 175.22 173.81 3h3v n GLU 28 N -2.55 0.00 -4.34 0.44 0.28 -0.71 -2.53 120.64 111.23 3h3v n GLU 28 Ca 0.11 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.92 3h3v n GLU 28 Cb 0.60 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.33 3h3v n GLU 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3h3v n ARG 30 N 2.28 1.95 0.00 0.00 1.74 -1.26 -4.27 116.66 117.10 3h3v n ARG 30 Ca -0.16 -3.21 0.00 0.00 -0.77 0.00 0.00 57.85 53.71 3h3v n ARG 30 Cb 0.56 -1.89 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3h3v n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3h3v n THR 31 N -1.12 0.00 0.00 0.55 -1.04 -1.26 -5.03 114.28 106.38 3h3v n THR 31 Ca 0.38 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 3h3v n THR 31 Cb 1.11 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 3h3v n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h3v n SER 33 N 0.00 0.00 -4.09 0.00 7.64 -1.26 -5.03 113.62 110.87 3h3v n SER 33 Ca 0.00 -0.30 -0.36 0.00 1.01 0.00 0.00 58.87 59.23 3h3v n SER 33 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 3h3v n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h3v n TYR 34 N 0.00 -3.70 -3.82 1.43 9.36 -1.26 -4.81 117.16 114.36 3h3v n TYR 34 Ca 0.00 0.13 -0.06 0.00 3.32 0.00 0.00 57.90 61.30 3h3v n TYR 34 Cb 0.08 -1.50 -0.02 0.00 -0.63 0.00 0.00 39.34 37.28 3h3v n TYR 34 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3h3v s VAL 35 N -2.09 0.00 -0.30 2.97 1.01 -1.26 -3.47 120.40 117.27 3h3v s VAL 35 Ca 0.43 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 3h3v s VAL 35 Cb -0.14 -1.98 0.18 0.00 0.00 0.00 0.00 36.38 34.45 3h3v s VAL 35 CO 0.76 0.00 1.17 -1.83 0.00 0.00 0.00 175.10 175.20 3h3v s GLU 36 N -3.70 0.14 0.90 2.72 -1.05 -1.05 -4.96 118.70 111.70 3h3v s GLU 36 Ca 0.11 0.34 -0.17 0.00 -0.15 0.00 0.00 54.97 55.09 3h3v s GLU 36 Cb -0.04 0.19 -0.14 0.00 -0.44 0.00 0.00 34.13 33.69 3h3v s GLU 36 CO 0.05 -0.05 -0.86 -0.85 0.95 0.00 0.00 175.26 174.50 3h3v n GLU 37 N 4.59 0.00 -1.77 -4.83 0.28 -1.26 -2.44 120.64 115.21 3h3v n GLU 37 Ca -0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.50 3h3v n GLU 37 Cb 0.55 -0.90 -0.02 0.00 1.43 0.00 0.00 31.44 32.50 3h3v n GLU 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3h3v s ALA 38 N -1.81 3.76 -0.68 -1.84 0.00 0.15 -4.62 121.76 116.71 3h3v s ALA 38 Ca 0.35 1.58 0.24 0.00 0.00 0.00 0.00 51.96 54.14 3h3v s ALA 38 Cb -0.11 -3.65 0.39 0.00 0.00 0.00 0.00 23.12 19.75 3h3v s ALA 38 CO 0.72 -0.99 1.36 0.41 0.00 0.00 0.00 175.76 177.26 3h3v n GLY 39 N 2.24 -1.41 3.64 0.00 0.00 -1.26 -4.93 105.19 103.47 3h3v n GLY 39 Ca 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 3h3v n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h3v s SER 40 N -4.11 -0.04 0.00 1.61 0.15 -1.26 -5.03 113.70 105.02 3h3v s SER 40 Ca 0.07 0.04 0.19 0.00 0.70 0.00 0.00 55.95 56.95 3h3v s SER 40 Cb 0.14 0.04 0.87 0.00 -1.71 0.00 0.00 66.02 65.36 3h3v s SER 40 CO 0.71 -0.05 1.61 -0.81 1.20 0.00 0.00 173.24 175.90 3h3v n PRO 41 N 0.40 0.10 -2.86 5.44 -0.04 -1.26 -4.75 135.00 132.02 3h3v n PRO 41 Ca 0.01 0.15 -0.40 0.00 -0.04 0.00 0.00 63.50 63.21 3h3v n PRO 41 Cb 0.58 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 3h3v n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3h3v s LEU 42 N -2.85 4.50 -0.03 1.53 2.96 -1.26 -4.97 118.68 118.56 3h3v s LEU 42 Ca 0.12 1.65 -0.03 0.00 -0.22 0.00 0.00 54.13 55.65 3h3v s LEU 42 Cb 0.13 -3.41 -0.02 0.00 0.50 0.00 0.00 46.19 43.38 3h3v s LEU 42 CO 0.33 0.02 -0.08 0.52 -1.32 0.00 0.00 176.35 175.82 3h3v n VAL 43 N 2.55 0.63 -3.98 1.68 0.31 -1.26 -5.02 118.33 113.24 3h3v n VAL 43 Ca -0.01 0.05 -0.16 0.00 -0.01 0.00 0.00 64.34 64.21 3h3v n VAL 43 Cb 0.49 -1.64 -0.15 0.00 -0.91 0.00 0.00 33.84 31.63 3h3v n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3h3v s TYR 44 N -2.14 0.29 -0.06 3.52 5.04 -1.26 -5.04 117.35 117.71 3h3v s TYR 44 Ca -0.08 -0.02 0.03 0.00 -2.44 0.00 0.00 57.07 54.56 3h3v s TYR 44 Cb 0.03 -0.30 0.01 0.00 0.35 0.00 0.00 41.96 42.04 3h3v s TYR 44 CO 0.10 -0.07 -0.15 0.50 -1.34 0.00 0.00 175.55 174.59 3h3v s ARG 45 N 0.53 1.86 -0.25 4.97 3.52 -1.26 -5.06 118.95 123.26 3h3v s ARG 45 Ca -0.05 -0.52 -0.16 0.00 -0.13 0.00 0.00 55.73 54.86 3h3v s ARG 45 Cb -0.08 -1.53 -0.15 0.00 -1.56 0.00 0.00 34.95 31.62 3h3v s ARG 45 CO -0.01 0.11 -0.12 1.58 -0.81 0.00 0.00 175.30 176.05 3h3v n HIS 46 N 3.56 0.42 -2.35 5.12 -0.00 -1.26 -5.10 115.22 115.61 3h3v n HIS 46 Ca -0.21 0.17 -0.00 0.00 -0.00 0.00 0.00 57.72 57.69 3h3v n HIS 46 Cb 0.52 -1.04 -0.00 0.00 -0.00 0.00 0.00 29.99 29.47 3h3v n HIS 46 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3h3v n GLU 47 N -4.27 -4.96 -0.09 1.57 1.02 -1.26 -5.02 120.64 107.64 3h3v n GLU 47 Ca -0.45 3.59 -0.09 0.00 -0.02 0.00 0.00 57.16 60.18 3h3v n GLU 47 Cb 0.82 -4.53 -0.03 0.00 -0.02 0.00 0.00 31.44 27.68 3h3v n GLU 47 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3h3v n LEU 48 N 1.87 1.92 -4.29 -4.62 4.77 -1.26 -4.62 117.00 110.77 3h3v n LEU 48 Ca -0.00 0.38 -0.40 0.00 -0.03 0.00 0.00 56.01 55.97 3h3v n LEU 48 Cb 0.00 -0.77 -0.02 0.00 -2.33 0.00 0.00 43.42 40.30 3h3v n LEU 48 CO 0.00 -0.27 2.05 -0.38 -1.33 0.00 0.00 177.39 177.46 3h3v n ILE 49 N -4.48 3.18 -1.94 -0.08 5.41 -1.26 -4.94 119.36 115.26 3h3v n ILE 49 Ca -0.15 -3.16 -0.41 0.00 1.00 0.00 0.00 62.75 60.04 3h3v n ILE 49 Cb 0.49 -2.37 -0.01 0.00 -0.71 0.00 0.00 39.64 37.05 3h3v n ILE 49 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3h3v s THR 50 N 5.53 2.35 0.00 1.39 2.01 -1.26 -4.92 115.64 120.74 3h3v s THR 50 Ca 0.56 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.91 3h3v s THR 50 Cb 0.06 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.35 3h3v s THR 50 CO 0.06 0.08 0.26 0.59 -0.69 0.00 0.00 174.62 174.92 3h3v n ASN 51 N 0.76 0.52 -4.61 3.53 4.13 -1.26 -5.01 115.26 113.31 3h3v n ASN 51 Ca 0.01 -0.76 -0.42 0.00 1.68 0.00 0.00 54.58 55.10 3h3v n ASN 51 Cb 0.40 0.46 -0.05 0.00 -1.54 0.00 0.00 39.78 39.05 3h3v n ASN 51 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 3h3v s ILE 52 N -0.46 4.85 0.00 2.41 2.07 -1.26 -3.69 121.20 125.12 3h3v s ILE 52 Ca 0.00 1.11 0.00 0.00 -1.41 0.00 0.00 60.65 60.35 3h3v s ILE 52 Cb 0.00 -4.09 0.00 0.00 0.13 0.00 0.00 42.46 38.50 3h3v s ILE 52 CO 0.00 -0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.45 3h3v n GLY 53 N 4.23 0.95 0.53 1.50 0.00 -1.26 -5.00 105.19 106.15 3h3v n GLY 53 Ca 0.02 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.38 3h3v n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h3v h GLU 54 N 0.00 0.00 0.00 1.61 5.08 -1.93 -3.13 114.58 116.20 3h3v h GLU 54 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 3h3v h GLU 54 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 3h3v h GLU 54 CO 0.00 0.00 -0.25 2.41 -1.00 0.00 0.00 179.01 180.17 3h3v n THR 55 N -3.92 0.00 -1.89 1.13 -1.04 -1.26 -3.63 114.28 103.67 3h3v n THR 55 Ca 0.25 -1.01 -0.38 0.00 -2.04 0.00 0.00 64.05 60.87 3h3v n THR 55 Cb 1.29 0.95 0.03 0.00 -1.82 0.00 0.00 70.33 70.78 3h3v n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h3v s ALA 56 N 0.13 2.85 -0.11 2.41 0.00 -1.18 -4.49 121.76 121.37 3h3v s ALA 56 Ca 0.11 1.25 -0.07 0.00 0.00 0.00 0.00 51.96 53.24 3h3v s ALA 56 Cb 0.40 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 20.02 3h3v s ALA 56 CO -0.11 -1.22 0.14 0.41 0.00 0.00 0.00 175.76 174.98 3h3v n GLY 57 N 0.66 -4.25 2.65 0.00 0.00 -1.26 -5.05 105.19 97.94 3h3v n GLY 57 Ca 0.10 0.83 -0.10 0.00 0.00 0.00 0.00 46.02 46.85 3h3v n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h3v n VAL 58 N 0.93 -0.05 -0.56 1.61 0.31 -1.26 -5.09 118.33 114.21 3h3v n VAL 58 Ca -0.23 -1.97 -0.30 0.00 -0.01 0.00 0.00 64.34 61.83 3h3v n VAL 58 Cb 0.36 1.13 0.22 0.00 -0.91 0.00 0.00 33.84 34.64 3h3v n VAL 58 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3h3v n VAL 59 N 0.75 0.00 0.73 2.52 0.31 -1.26 -4.74 118.33 116.64 3h3v n VAL 59 Ca 0.10 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3h3v n VAL 59 Cb 0.67 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 3h3v n VAL 59 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3h3v n GLN 60 N -3.82 0.73 0.00 5.55 -0.06 -1.26 -1.64 117.38 116.89 3h3v n GLN 60 Ca 0.03 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.08 3h3v n GLN 60 Cb 0.57 -1.28 -0.05 0.00 -4.06 0.00 0.00 30.24 25.41 3h3v n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3h3v n ASP 61 N 0.31 0.66 0.00 1.69 8.00 -1.26 -4.49 116.55 121.47 3h3v n ASP 61 Ca 0.00 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.67 3h3v n ASP 61 Cb 0.25 0.92 0.00 0.00 -0.02 0.00 0.00 41.12 42.27 3h3v n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h3v n ILE 62 N -1.10 0.88 0.24 0.53 3.06 -0.65 0.56 119.36 122.87 3h3v n ILE 62 Ca 0.03 0.23 0.10 0.00 -2.50 0.00 0.00 62.75 60.61 3h3v n ILE 62 Cb 0.19 -1.23 -0.14 0.00 0.54 0.00 0.00 39.64 38.99 3h3v n ILE 62 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3h3v n GLY 63 N -1.20 -0.90 0.09 4.50 0.00 -1.26 -4.40 105.19 102.02 3h3v n GLY 63 Ca 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 3h3v n GLY 63 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h3v h SER 64 N 0.00 0.21 -1.65 1.61 4.64 -0.19 -3.46 113.55 114.70 3h3v h SER 64 Ca 0.00 -0.30 -0.68 0.00 -0.47 0.00 0.00 61.79 60.34 3h3v h SER 64 Cb 0.80 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.83 3h3v h SER 64 CO 0.00 1.25 1.06 -0.67 -0.87 0.00 0.00 176.83 177.60 3h3v n ASP 65 N -3.34 2.75 0.03 4.97 -0.08 -1.11 -4.87 116.55 114.90 3h3v n ASP 65 Ca -0.13 0.93 -0.11 0.00 -1.51 0.00 0.00 54.79 53.97 3h3v n ASP 65 Cb 1.02 -1.24 0.01 0.00 2.34 0.00 0.00 41.12 43.25 3h3v n ASP 65 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3h3v h PRO 66 N 8.80 0.52 -0.15 -0.67 0.13 -1.95 -3.30 132.00 135.38 3h3v h PRO 66 Ca -0.44 -0.40 0.04 0.00 -0.87 0.00 0.00 66.00 64.33 3h3v h PRO 66 Cb 1.30 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 3h3v h PRO 66 CO 0.97 1.03 0.23 1.79 -0.23 0.00 0.00 178.00 181.79 3h3v h THR 67 N 0.36 0.30 -3.80 1.56 1.35 -2.01 -3.43 112.91 107.24 3h3v h THR 67 Ca -0.03 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 65.35 3h3v h THR 67 Cb 1.29 0.80 -0.02 0.00 -1.73 0.00 0.00 68.15 68.49 3h3v h THR 67 CO 0.13 0.00 0.23 -0.76 -0.25 0.00 0.00 175.52 174.86 3h3v s LEU 68 N -7.00 4.20 0.56 3.87 1.43 -1.25 -5.06 118.68 115.43 3h3v s LEU 68 Ca -0.04 1.57 -0.15 0.00 -1.03 0.00 0.00 54.13 54.48 3h3v s LEU 68 Cb 0.14 -4.02 -0.06 0.00 0.03 0.00 0.00 46.19 42.28 3h3v s LEU 68 CO 0.47 -0.13 1.01 -2.16 0.23 0.00 0.00 176.35 175.78 3h3v s PRO 69 N -2.47 3.68 -0.02 1.29 0.04 -1.26 -4.96 135.00 131.29 3h3v s PRO 69 Ca 0.52 0.98 0.06 0.00 0.04 0.00 0.00 61.00 62.60 3h3v s PRO 69 Cb -0.14 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 3h3v s PRO 69 CO 0.19 -0.50 -0.21 1.03 0.04 0.00 0.00 177.00 177.55 3h3v s ARG 70 N -4.33 2.22 0.40 4.56 1.81 -1.26 -2.49 118.95 119.86 3h3v s ARG 70 Ca 0.59 -0.86 0.07 0.00 -1.72 0.00 0.00 55.73 53.81 3h3v s ARG 70 Cb -0.12 -2.17 -0.07 0.00 -0.45 0.00 0.00 34.95 32.14 3h3v s ARG 70 CO 0.38 0.58 0.07 -1.54 -0.68 0.00 0.00 175.30 174.11 3h3v s SER 71 N -0.78 4.09 0.00 0.23 1.04 0.73 -4.99 113.70 114.02 3h3v s SER 71 Ca 0.11 -1.24 0.02 0.00 0.48 0.00 0.00 55.95 55.33 3h3v s SER 71 Cb -0.10 -0.44 0.03 0.00 0.10 0.00 0.00 66.02 65.61 3h3v s SER 71 CO 0.00 -0.46 0.68 -0.90 0.98 0.00 0.00 173.24 173.54 3h3v n ASP 72 N -1.06 1.41 -4.71 7.02 5.75 -1.25 -3.03 116.55 120.67 3h3v n ASP 72 Ca -0.03 -1.30 -0.34 0.00 -0.01 0.00 0.00 54.79 53.11 3h3v n ASP 72 Cb 0.66 -0.01 0.11 0.00 -1.03 0.00 0.00 41.12 40.85 3h3v n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3h3v s ARG 73 N -0.37 1.84 -0.08 0.11 0.52 -1.26 -4.49 118.95 115.23 3h3v s ARG 73 Ca 0.03 1.76 -0.13 0.00 -0.52 0.00 0.00 55.73 56.87 3h3v s ARG 73 Cb 0.02 -1.80 -0.05 0.00 0.52 0.00 0.00 34.95 33.64 3h3v s ARG 73 CO 0.03 -2.06 0.31 -1.83 0.02 0.00 0.00 175.30 171.77 3h3v s GLU 74 N -4.05 3.93 0.95 3.54 -1.05 -1.26 -4.07 118.70 116.69 3h3v s GLU 74 Ca 0.74 0.19 -0.11 0.00 -0.15 0.00 0.00 54.97 55.63 3h3v s GLU 74 Cb -0.29 -3.29 0.16 0.00 -0.44 0.00 0.00 34.13 30.28 3h3v s GLU 74 CO 0.48 0.55 1.09 0.00 0.95 0.00 0.00 175.26 178.34 3h3v n PRO 76 N -4.19 0.32 0.00 0.00 -0.02 -1.26 -3.59 135.00 126.26 3h3v n PRO 76 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3h3v n PRO 76 Cb 0.54 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 3h3v n PRO 76 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3h3v n LYS 77 N -0.75 0.00 0.00 -0.52 5.02 -1.26 -4.92 118.16 115.73 3h3v n LYS 77 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3h3v n LYS 77 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 3h3v n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h3v n HIS 79 N 0.05 -1.32 -2.07 0.00 8.25 -1.24 -4.85 115.22 114.05 3h3v n HIS 79 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3h3v n HIS 79 Cb 0.04 -1.03 -0.03 0.00 1.12 0.00 0.00 29.99 30.09 3h3v n HIS 79 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3h3v s SER 80 N -1.34 6.72 -0.09 0.41 0.01 -1.26 -4.48 113.70 113.67 3h3v s SER 80 Ca 0.00 2.40 0.06 0.00 1.31 0.00 0.00 55.95 59.72 3h3v s SER 80 Cb 0.00 -2.58 0.34 0.00 0.21 0.00 0.00 66.02 63.99 3h3v s SER 80 CO 0.00 -0.75 1.06 0.54 0.41 0.00 0.00 173.24 174.50 3h3v n ARG 81 N 4.48 2.55 -3.77 12.44 1.74 -1.26 -3.07 116.66 129.77 3h3v n ARG 81 Ca 0.13 -1.33 -0.36 0.00 -0.77 0.00 0.00 57.85 55.52 3h3v n ARG 81 Cb 0.41 -1.75 -0.11 0.00 -1.02 0.00 0.00 32.46 29.99 3h3v n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3h3v s GLU 82 N -1.73 2.06 -0.02 5.56 2.02 -1.26 -3.84 118.70 121.48 3h3v s GLU 82 Ca 0.23 -1.90 0.03 0.00 0.02 0.00 0.00 54.97 53.35 3h3v s GLU 82 Cb 0.17 -3.60 -0.00 0.00 0.10 0.00 0.00 34.13 30.80 3h3v s GLU 82 CO 0.08 -1.08 -0.12 -0.80 0.02 0.00 0.00 175.26 173.36 3h3v s ASN 83 N 1.69 1.42 -0.26 -0.19 0.01 -1.17 -0.40 114.94 116.04 3h3v s ASN 83 Ca 0.09 -0.22 -0.04 0.00 -0.71 0.00 0.00 52.86 51.98 3h3v s ASN 83 Cb -0.23 -0.26 0.01 0.00 0.41 0.00 0.00 41.25 41.19 3h3v s ASN 83 CO -0.04 0.12 -0.00 0.54 -1.51 0.00 0.00 177.10 176.21 3h3v s VAL 84 N -0.09 3.43 0.55 1.60 0.11 -1.20 -0.19 120.40 124.60 3h3v s VAL 84 Ca 0.01 -0.75 0.05 0.00 -2.93 0.00 0.00 61.98 58.37 3h3v s VAL 84 Cb -0.07 -2.70 0.04 0.00 -1.53 0.00 0.00 36.38 32.13 3h3v s VAL 84 CO 0.00 0.22 0.39 0.72 -3.33 0.00 0.00 175.10 173.10 3h3v s PHE 85 N 1.43 1.55 0.00 1.54 -0.00 -1.04 -2.73 117.98 118.74 3h3v s PHE 85 Ca 0.03 -0.87 0.00 0.00 -0.00 0.00 0.00 56.93 56.08 3h3v s PHE 85 Cb -0.16 -1.88 0.00 0.00 -0.00 0.00 0.00 43.02 40.97 3h3v s PHE 85 CO -0.02 -0.48 0.00 1.97 -0.00 0.00 0.00 175.22 176.70 3h3v n PHE 86 N -1.77 -0.26 -4.40 3.49 1.16 -1.13 -4.33 117.46 110.23 3h3v n PHE 86 Ca -0.03 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.26 3h3v n PHE 86 Cb 0.64 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.45 3h3v n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3h3v s GLN 87 N -1.14 2.19 1.00 3.97 -0.21 -1.26 -1.83 119.66 122.38 3h3v s GLN 87 Ca 0.00 -2.17 -0.17 0.00 0.02 0.00 0.00 55.36 53.04 3h3v s GLN 87 Cb 0.00 -1.77 -0.03 0.00 1.00 0.00 0.00 33.01 32.21 3h3v s GLN 87 CO 0.00 -0.35 -0.21 0.45 -2.12 0.00 0.00 175.29 173.06 3h3v n SER 88 N -1.36 -3.30 -0.21 5.90 2.88 -1.26 -4.92 113.62 111.35 3h3v n SER 88 Ca -0.10 0.17 0.03 0.00 -1.33 0.00 0.00 58.87 57.64 3h3v n SER 88 Cb 0.66 -0.96 0.07 0.00 -0.75 0.00 0.00 64.21 63.23 3h3v n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h3v n GLN 89 N -0.20 2.71 -3.26 -1.46 1.13 -1.24 -4.90 117.38 110.16 3h3v n GLN 89 Ca 0.02 -1.87 -0.45 0.00 -1.94 0.00 0.00 57.00 52.76 3h3v n GLN 89 Cb 0.58 -1.19 -0.06 0.00 0.11 0.00 0.00 30.24 29.69 3h3v n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3h3v s GLN 90 N -1.40 3.02 -1.08 -1.09 0.74 -1.26 -4.97 119.66 113.63 3h3v s GLN 90 Ca 0.13 -1.39 -0.24 0.00 0.05 0.00 0.00 55.36 53.91 3h3v s GLN 90 Cb 0.09 -4.21 -0.14 0.00 1.10 0.00 0.00 33.01 29.84 3h3v s GLN 90 CO 0.05 -1.28 1.96 0.54 -0.55 0.00 0.00 175.29 176.01 3h3v n ARG 91 N 5.64 1.17 -4.52 1.67 5.12 -1.26 -4.85 116.66 119.63 3h3v n ARG 91 Ca -0.11 -2.17 -0.23 0.00 -1.93 0.00 0.00 57.85 53.40 3h3v n ARG 91 Cb 0.42 -3.66 -0.16 0.00 -1.16 0.00 0.00 32.46 27.91 3h3v n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3h3v s ARG 92 N 6.84 1.41 0.14 5.56 3.52 -1.26 -5.05 118.95 130.11 3h3v s ARG 92 Ca 0.71 -0.38 -0.28 0.00 -0.13 0.00 0.00 55.73 55.65 3h3v s ARG 92 Cb 0.00 -1.23 -0.04 0.00 -1.56 0.00 0.00 34.95 32.13 3h3v s ARG 92 CO 0.16 0.07 1.59 0.87 -0.81 0.00 0.00 175.30 177.17 3h3v h LYS 93 N 6.74 -0.43 -0.48 5.12 6.56 -2.04 -1.77 116.57 130.26 3h3v h LYS 93 Ca -0.33 0.03 0.14 0.00 -1.06 0.00 0.00 60.65 59.43 3h3v h LYS 93 Cb 1.18 0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 32.92 3h3v h LYS 93 CO 0.48 -0.29 0.40 0.38 -2.06 0.00 0.00 179.45 178.36 3h3v h ASP 94 N -0.45 0.00 -1.63 0.86 2.03 -1.97 -3.44 116.42 111.82 3h3v h ASP 94 Ca 0.09 0.00 -0.69 0.00 -0.73 0.00 0.00 57.03 55.70 3h3v h ASP 94 Cb 0.60 0.00 0.06 0.00 -0.83 0.00 0.00 39.33 39.16 3h3v h ASP 94 CO -0.40 0.00 0.38 0.41 -1.03 0.00 0.00 179.24 178.60 3h3v n THR 95 N -4.11 0.12 -1.52 1.15 -1.04 -0.67 -4.93 114.28 103.29 3h3v n THR 95 Ca 0.09 -0.03 -0.31 0.00 -2.04 0.00 0.00 64.05 61.76 3h3v n THR 95 Cb 0.61 -0.73 0.06 0.00 -1.82 0.00 0.00 70.33 68.45 3h3v n THR 95 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3h3v s SER 96 N 0.36 5.07 -0.98 8.00 1.04 -1.26 -4.99 113.70 120.94 3h3v s SER 96 Ca 0.84 1.58 -0.01 0.00 0.48 0.00 0.00 55.95 58.84 3h3v s SER 96 Cb -0.98 -2.41 0.33 0.00 0.10 0.00 0.00 66.02 63.06 3h3v s SER 96 CO 0.49 -1.64 1.87 0.23 0.98 0.00 0.00 173.24 175.17 3h3v n MET 97 N -3.25 4.78 -4.16 4.02 2.81 -1.26 -4.61 117.12 115.45 3h3v n MET 97 Ca 0.08 -4.39 -0.34 0.00 -1.81 0.00 0.00 57.70 51.24 3h3v n MET 97 Cb 0.54 -2.42 -0.08 0.00 -0.71 0.00 0.00 33.22 30.55 3h3v n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3h3v s VAL 98 N -4.52 4.68 0.19 2.03 1.01 -1.26 -5.08 120.40 117.45 3h3v s VAL 98 Ca 0.42 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 3h3v s VAL 98 Cb 0.25 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.49 3h3v s VAL 98 CO -0.20 0.46 0.48 -0.76 0.00 0.00 0.00 175.10 175.08 3h3v s LEU 99 N -1.40 4.21 -0.11 3.92 1.43 -1.26 -4.29 118.68 121.17 3h3v s LEU 99 Ca 0.19 0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 54.08 3h3v s LEU 99 Cb -0.12 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 3h3v s LEU 99 CO 0.09 -0.02 -0.10 -0.36 0.23 0.00 0.00 176.35 176.19 3h3v s PHE 100 N -1.75 2.86 -0.28 0.29 0.40 -0.76 -2.63 117.98 116.11 3h3v s PHE 100 Ca 0.45 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 3h3v s PHE 100 Cb -0.12 -1.81 0.05 0.00 0.51 0.00 0.00 43.02 41.66 3h3v s PHE 100 CO 0.22 -0.02 -0.04 -0.06 0.70 0.00 0.00 175.22 176.02 3h3v s PHE 101 N -0.02 3.27 -0.73 0.36 0.40 -0.42 -2.83 117.98 118.01 3h3v s PHE 101 Ca -0.02 -2.06 -0.19 0.00 -0.60 0.00 0.00 56.93 54.07 3h3v s PHE 101 Cb -0.14 -2.04 0.13 0.00 0.51 0.00 0.00 43.02 41.48 3h3v s PHE 101 CO 0.04 -0.83 0.87 0.08 0.70 0.00 0.00 175.22 176.07 3h3v s VAL 102 N 1.19 4.86 0.24 -0.44 1.01 -1.11 -3.22 120.40 122.94 3h3v s VAL 102 Ca -0.07 -1.32 -0.29 0.00 0.00 0.00 0.00 61.98 60.31 3h3v s VAL 102 Cb -0.20 -4.59 -0.15 0.00 0.00 0.00 0.00 36.38 31.44 3h3v s VAL 102 CO -0.03 -1.26 0.86 0.00 0.00 0.00 0.00 175.10 174.67 3h3v h LEU 104 N 1.82 -0.02 -7.14 0.00 3.38 -1.09 -3.04 115.31 109.22 3h3v h LEU 104 Ca -0.36 -0.47 -0.79 0.00 0.09 0.00 0.00 57.88 56.35 3h3v h LEU 104 Cb 1.38 0.01 -0.24 0.00 0.09 0.00 0.00 40.66 41.89 3h3v h LEU 104 CO 0.60 0.47 0.99 -1.20 0.09 0.00 0.00 178.44 179.39 3h3v n SER 105 N -4.87 5.76 0.00 -0.43 7.64 -1.26 -4.43 113.62 116.02 3h3v n SER 105 Ca -0.08 -3.19 0.00 0.00 1.01 0.00 0.00 58.87 56.61 3h3v n SER 105 Cb 0.25 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 3h3v n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h3v n SER 107 N 0.00 -1.18 -4.88 0.00 7.64 -1.15 -5.05 113.62 109.00 3h3v n SER 107 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 3h3v n SER 107 Cb 0.00 -0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 62.72 3h3v n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3h3v s HIS 108 N -2.31 3.45 -0.63 1.43 5.65 -1.26 -4.92 115.29 116.69 3h3v s HIS 108 Ca 0.00 0.83 0.05 0.00 0.25 0.00 0.00 55.06 56.19 3h3v s HIS 108 Cb 0.00 -2.24 0.16 0.00 -1.18 0.00 0.00 32.58 29.32 3h3v s HIS 108 CO 0.00 0.18 0.42 0.42 -0.65 0.00 0.00 174.74 175.11 3h3v s ILE 109 N -1.99 2.55 0.58 0.89 1.01 -1.26 -3.15 121.20 119.83 3h3v s ILE 109 Ca 0.47 -3.87 0.09 0.00 0.00 0.00 0.00 60.65 57.33 3h3v s ILE 109 Cb -0.11 -2.70 0.09 0.00 0.01 0.00 0.00 42.46 39.75 3h3v s ILE 109 CO 0.25 -0.98 0.73 2.22 0.00 0.00 0.00 174.94 177.16 3h3v n PHE 110 N 2.34 -1.89 -4.39 3.97 1.16 -1.20 -4.69 117.46 112.76 3h3v n PHE 110 Ca 0.17 -2.20 -0.21 0.00 -1.87 0.00 0.00 57.45 53.34 3h3v n PHE 110 Cb 0.35 -0.54 -0.07 0.00 -1.61 0.00 0.00 39.48 37.62 3h3v n PHE 110 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 3h3v n THR 111 N -2.18 0.00 -1.60 1.97 -1.04 -1.26 -1.30 114.28 108.87 3h3v n THR 111 Ca 0.13 -2.15 -0.14 0.00 -2.04 0.00 0.00 64.05 59.85 3h3v n THR 111 Cb 0.62 0.86 0.14 0.00 -1.82 0.00 0.00 70.33 70.12 3h3v n THR 111 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3h3v n SER 112 N -1.65 3.80 -4.78 8.00 3.41 -1.08 -4.92 113.62 116.40 3h3v n SER 112 Ca -0.02 -3.79 -0.37 0.00 -0.26 0.00 0.00 58.87 54.44 3h3v n SER 112 Cb 0.55 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 3h3v n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h3v s ASP 113 N -2.76 7.17 -0.11 4.04 -1.08 -1.26 -4.88 116.67 117.80 3h3v s ASP 113 Ca 0.49 1.90 0.22 0.00 -0.52 0.00 0.00 52.55 54.63 3h3v s ASP 113 Cb 0.42 -2.58 0.42 0.00 -1.46 0.00 0.00 42.92 39.72 3h3v s ASP 113 CO 0.00 -0.19 1.16 0.00 0.52 0.00 0.00 175.17 176.66 3h3v n GLN 114 N 0.37 0.69 0.00 4.34 6.02 -1.26 -4.87 117.38 122.67 3h3v n GLN 114 Ca 0.03 -2.38 0.00 0.00 -0.01 0.00 0.00 57.00 54.64 3h3v n GLN 114 Cb 0.50 -0.49 0.00 0.00 1.02 0.00 0.00 30.24 31.27 3h3v n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3h3v n LYS 115 N -0.07 0.00 -3.37 -1.09 5.02 -1.26 -5.13 118.16 112.26 3h3v n LYS 115 Ca 0.02 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.11 3h3v n LYS 115 Cb 0.97 -0.03 -0.02 0.00 -0.02 0.00 0.00 35.03 35.94 3h3v n LYS 115 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3h3v s ASN 116 N -4.32 5.26 -0.26 4.39 0.01 -1.26 -5.12 114.94 113.64 3h3v s ASN 116 Ca 0.00 -0.64 -0.04 0.00 -0.71 0.00 0.00 52.86 51.47 3h3v s ASN 116 Cb 0.00 -0.58 0.09 0.00 0.41 0.00 0.00 41.25 41.17 3h3v s ASN 116 CO 0.00 -0.70 0.13 -0.54 -1.51 0.00 0.00 177.10 174.47 3h3v s LYS 117 N -4.21 0.16 0.03 -0.60 1.02 -1.26 -4.91 119.74 109.97 3h3v s LYS 117 Ca 0.51 -0.41 0.09 0.00 0.02 0.00 0.00 55.97 56.17 3h3v s LYS 117 Cb -0.06 -1.30 -0.03 0.00 -0.52 0.00 0.00 37.83 35.93 3h3v s LYS 117 CO 0.30 -0.94 -0.26 1.03 -0.92 0.00 0.00 175.35 174.56 3h3v s ARG 118 N 2.12 1.81 -0.16 1.68 0.52 -1.26 -5.02 118.95 118.64 3h3v s ARG 118 Ca 0.07 -1.04 0.17 0.00 -0.52 0.00 0.00 55.73 54.40 3h3v s ARG 118 Cb -0.16 -1.93 0.36 0.00 0.52 0.00 0.00 34.95 33.75 3h3v s ARG 118 CO -0.30 0.51 1.23 2.41 0.02 0.00 0.00 175.30 179.16 3h3v n THR 119 N 1.94 2.05 0.16 0.02 -1.04 -1.26 -4.91 114.28 111.25 3h3v n THR 119 Ca -0.17 -2.41 0.02 0.00 -2.04 0.00 0.00 64.05 59.45 3h3v n THR 119 Cb 0.52 -0.25 0.02 0.00 -1.82 0.00 0.00 70.33 68.80 3h3v n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43