#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m4o n THR 3 N 0.00 -0.35 -2.47 12.58 -1.04 -1.26 -4.93 114.28 116.82 3m4o n THR 3 Ca 0.00 0.03 -0.25 0.00 -2.04 0.00 0.00 64.05 61.80 3m4o n THR 3 Cb 0.00 -0.38 0.12 0.00 -1.82 0.00 0.00 70.33 68.24 3m4o n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3m4o s PHE 4 N -0.14 1.69 0.11 -1.42 -0.12 -1.26 -5.00 117.98 111.83 3m4o s PHE 4 Ca 0.02 -0.14 0.08 0.00 -0.05 0.00 0.00 56.93 56.84 3m4o s PHE 4 Cb -0.00 -3.17 -0.04 0.00 -0.63 0.00 0.00 43.02 39.18 3m4o s PHE 4 CO 0.05 -1.82 -0.20 0.50 -0.05 0.00 0.00 175.22 173.71 3m4o s ARG 5 N -5.25 1.11 0.00 1.99 3.52 -1.26 -5.17 118.95 113.89 3m4o s ARG 5 Ca 0.67 -1.17 0.00 0.00 -0.13 0.00 0.00 55.73 55.10 3m4o s ARG 5 Cb -0.05 -1.31 0.00 0.00 -1.56 0.00 0.00 34.95 32.03 3m4o s ARG 5 CO 0.45 0.30 0.00 1.19 -0.81 0.00 0.00 175.30 176.43 3m4o n PHE 6 N 1.00 0.00 -4.64 5.12 3.01 -1.26 -4.10 117.46 116.59 3m4o n PHE 6 Ca -0.19 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.94 3m4o n PHE 6 Cb 0.54 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.86 3m4o n PHE 6 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3m4o s ARG 8 N 0.68 4.14 0.00 0.00 1.70 -1.26 -0.41 118.95 123.80 3m4o s ARG 8 Ca -0.08 1.82 0.00 0.00 -0.47 0.00 0.00 55.73 57.00 3m4o s ARG 8 Cb -0.16 -2.73 0.00 0.00 -0.57 0.00 0.00 34.95 31.49 3m4o s ARG 8 CO 0.02 -0.24 0.00 -0.25 -1.08 0.00 0.00 175.30 173.75 3m4o n ASP 9 N 0.21 0.00 -0.00 -2.89 8.00 -1.26 -4.67 116.55 115.94 3m4o n ASP 9 Ca 0.04 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.62 3m4o n ASP 9 Cb 0.46 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.46 3m4o n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m4o n ASN 11 N -1.48 -0.06 -4.01 0.00 5.15 0.45 -4.97 115.26 110.35 3m4o n ASN 11 Ca 0.02 -0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.91 3m4o n ASN 11 Cb 0.28 -0.02 -0.08 0.00 -0.53 0.00 0.00 39.78 39.43 3m4o n ASN 11 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3m4o s ASN 12 N -0.12 0.15 -0.03 1.20 3.84 -1.25 -4.90 114.94 113.82 3m4o s ASN 12 Ca 0.00 -0.94 -0.30 0.00 0.21 0.00 0.00 52.86 51.83 3m4o s ASN 12 Cb -0.00 0.37 -0.06 0.00 -0.55 0.00 0.00 41.25 41.02 3m4o s ASN 12 CO 0.01 -0.81 1.55 -0.04 -2.79 0.00 0.00 177.10 175.02 3m4o s MET 13 N -3.97 4.21 -0.13 0.43 -1.94 -1.26 -2.22 119.30 114.43 3m4o s MET 13 Ca 0.17 2.10 -0.07 0.00 -1.71 0.00 0.00 55.69 56.18 3m4o s MET 13 Cb 0.05 -3.80 -0.04 0.00 2.01 0.00 0.00 34.83 33.05 3m4o s MET 13 CO -0.01 -0.75 0.12 -0.48 -0.01 0.00 0.00 175.02 173.89 3m4o s LEU 14 N 3.36 4.27 0.00 -0.03 0.05 -1.26 -4.50 118.68 120.57 3m4o s LEU 14 Ca 0.69 0.40 0.00 0.00 0.05 0.00 0.00 54.13 55.27 3m4o s LEU 14 Cb -0.33 -2.04 0.00 0.00 -2.05 0.00 0.00 46.19 41.77 3m4o s LEU 14 CO 0.28 0.38 0.00 -1.22 -0.55 0.00 0.00 176.35 175.23 3m4o n TYR 15 N 2.19 0.00 -4.41 3.48 4.02 -1.10 -4.68 117.16 116.67 3m4o n TYR 15 Ca -0.19 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.49 3m4o n TYR 15 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.76 3m4o n TYR 15 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3m4o s PRO 16 N 3.19 1.51 -0.11 -0.72 0.04 -1.26 -3.19 135.00 134.46 3m4o s PRO 16 Ca 0.00 -1.76 -0.30 0.00 0.04 0.00 0.00 61.00 58.98 3m4o s PRO 16 Cb 0.00 -1.09 0.10 0.00 0.04 0.00 0.00 34.50 33.55 3m4o s PRO 16 CO 0.00 0.04 0.87 0.50 0.04 0.00 0.00 177.00 178.44 3m4o s ARG 17 N -3.73 0.79 -0.10 4.56 3.52 -0.69 -4.84 118.95 118.46 3m4o s ARG 17 Ca 0.29 0.18 -0.17 0.00 -0.13 0.00 0.00 55.73 55.89 3m4o s ARG 17 Cb 0.04 0.37 -0.05 0.00 -1.56 0.00 0.00 34.95 33.75 3m4o s ARG 17 CO 0.11 -0.25 0.46 -2.00 -0.81 0.00 0.00 175.30 172.81 3m4o s GLU 18 N -1.19 4.28 -0.55 5.12 2.12 -1.26 -1.60 118.70 125.61 3m4o s GLU 18 Ca -0.05 0.43 -0.28 0.00 0.36 0.00 0.00 54.97 55.43 3m4o s GLU 18 Cb -0.00 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.99 3m4o s GLU 18 CO 0.05 0.25 1.58 0.34 -0.54 0.00 0.00 175.26 176.94 3m4o s ASP 19 N 0.33 5.87 0.00 -1.70 -1.08 -0.50 -4.94 116.67 114.65 3m4o s ASP 19 Ca 0.25 0.41 0.00 0.00 -0.52 0.00 0.00 52.55 52.69 3m4o s ASP 19 Cb -0.15 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 3m4o s ASP 19 CO 0.11 -1.89 0.65 0.29 0.52 0.00 0.00 175.17 174.84 3m4o n LYS 20 N 8.80 0.00 -0.19 4.34 4.76 -1.26 -2.27 118.16 132.33 3m4o n LYS 20 Ca 0.15 0.33 0.06 0.00 -2.87 0.00 0.00 58.31 55.99 3m4o n LYS 20 Cb 0.50 -1.15 0.35 0.00 -1.84 0.00 0.00 35.03 32.88 3m4o n LYS 20 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3m4o h GLU 21 N 0.00 0.75 -0.40 1.97 5.08 -1.99 -3.24 114.58 116.74 3m4o h GLU 21 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3m4o h GLU 21 Cb 0.00 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3m4o h GLU 21 CO 0.00 0.49 0.00 0.09 -1.00 0.00 0.00 179.01 178.59 3m4o n ASN 22 N -4.48 4.02 -3.85 1.42 3.02 -1.22 -5.02 115.26 109.14 3m4o n ASN 22 Ca 0.11 -2.61 -0.35 0.00 -0.03 0.00 0.00 54.58 51.69 3m4o n ASN 22 Cb 0.23 -0.48 0.02 0.00 -0.61 0.00 0.00 39.78 38.94 3m4o n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3m4o n ASN 23 N 0.24 -4.82 -3.75 6.41 4.13 -0.96 -4.98 115.26 111.52 3m4o n ASN 23 Ca 0.20 -1.09 -0.09 0.00 1.68 0.00 0.00 54.58 55.29 3m4o n ASN 23 Cb 0.80 -2.30 -0.03 0.00 -1.54 0.00 0.00 39.78 36.72 3m4o n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3m4o s ARG 24 N -6.23 1.59 -0.05 3.52 1.70 -1.24 -5.04 118.95 113.19 3m4o s ARG 24 Ca 0.35 -0.87 -0.14 0.00 -0.47 0.00 0.00 55.73 54.60 3m4o s ARG 24 Cb -0.17 0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 3m4o s ARG 24 CO 0.91 -0.71 0.36 -1.17 -1.08 0.00 0.00 175.30 173.61 3m4o s LEU 25 N -2.88 4.42 -0.28 -1.89 2.96 -1.26 -1.41 118.68 118.33 3m4o s LEU 25 Ca 0.09 0.82 -0.02 0.00 -0.22 0.00 0.00 54.13 54.81 3m4o s LEU 25 Cb -0.04 -2.48 0.09 0.00 0.50 0.00 0.00 46.19 44.26 3m4o s LEU 25 CO 0.01 0.29 0.09 -0.76 -1.32 0.00 0.00 176.35 174.66 3m4o s LEU 26 N -0.76 1.75 0.36 -0.68 1.43 -0.63 -3.52 118.68 116.63 3m4o s LEU 26 Ca 0.22 -1.42 -0.28 0.00 -1.03 0.00 0.00 54.13 51.62 3m4o s LEU 26 Cb -0.15 -0.73 -0.10 0.00 0.03 0.00 0.00 46.19 45.24 3m4o s LEU 26 CO 0.10 -0.40 1.30 -0.36 0.23 0.00 0.00 176.35 177.23 3m4o s PHE 27 N 1.74 2.97 -0.21 0.29 0.40 -1.10 -1.70 117.98 120.38 3m4o s PHE 27 Ca 0.07 1.41 -0.10 0.00 -0.60 0.00 0.00 56.93 57.72 3m4o s PHE 27 Cb -0.17 -3.67 0.08 0.00 0.51 0.00 0.00 43.02 39.77 3m4o s PHE 27 CO -0.24 -1.93 0.49 -1.83 0.70 0.00 0.00 175.22 172.41 3m4o s GLU 28 N -1.96 0.45 0.23 0.44 4.04 -1.19 -2.08 118.70 118.63 3m4o s GLU 28 Ca 0.52 1.01 -0.30 0.00 0.04 0.00 0.00 54.97 56.24 3m4o s GLU 28 Cb -0.39 0.20 -0.09 0.00 0.02 0.00 0.00 34.13 33.87 3m4o s GLU 28 CO 0.51 -0.19 0.93 0.00 -1.84 0.00 0.00 175.26 174.68 3m4o n ARG 30 N 1.52 2.82 -0.09 0.00 0.00 -1.26 -3.98 116.66 115.67 3m4o n ARG 30 Ca -0.02 -3.56 -0.22 0.00 -0.00 0.00 0.00 57.85 54.05 3m4o n ARG 30 Cb 0.47 -2.19 -0.12 0.00 -0.00 0.00 0.00 32.46 30.62 3m4o n ARG 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3m4o n THR 31 N -0.90 1.57 -1.15 8.89 -1.04 -1.26 -5.02 114.28 115.36 3m4o n THR 31 Ca 0.51 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 3m4o n THR 31 Cb 0.91 -1.99 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 3m4o n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3m4o n SER 33 N 0.00 1.42 -3.97 0.00 7.64 -1.26 -4.82 113.62 112.63 3m4o n SER 33 Ca 0.00 -1.31 -0.37 0.00 1.01 0.00 0.00 58.87 58.20 3m4o n SER 33 Cb 0.00 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.20 3m4o n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m4o n TYR 34 N 0.02 -2.67 -3.72 1.43 9.36 -1.26 -4.82 117.16 115.50 3m4o n TYR 34 Ca 0.02 0.44 -0.12 0.00 3.32 0.00 0.00 57.90 61.55 3m4o n TYR 34 Cb 0.11 -1.58 -0.11 0.00 -0.63 0.00 0.00 39.34 37.13 3m4o n TYR 34 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3m4o s VAL 35 N -1.86 -0.02 0.37 2.97 1.01 -1.26 -3.40 120.40 118.21 3m4o s VAL 35 Ca 0.53 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.65 3m4o s VAL 35 Cb -0.47 -0.56 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 3m4o s VAL 35 CO 0.62 0.02 0.02 -1.83 0.00 0.00 0.00 175.10 173.93 3m4o s GLU 36 N 0.85 2.03 0.00 2.72 -1.05 -0.89 -5.01 118.70 117.35 3m4o s GLU 36 Ca -0.05 -1.88 0.00 0.00 -0.15 0.00 0.00 54.97 52.89 3m4o s GLU 36 Cb -0.06 -1.84 0.00 0.00 -0.44 0.00 0.00 34.13 31.80 3m4o s GLU 36 CO -0.06 0.06 0.00 -0.85 0.95 0.00 0.00 175.26 175.35 3m4o n GLU 37 N -0.97 -0.01 -2.39 -4.83 0.28 -1.26 -2.70 120.64 108.76 3m4o n GLU 37 Ca -0.04 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.57 3m4o n GLU 37 Cb 0.64 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.47 3m4o n GLU 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3m4o s ALA 38 N -3.39 3.32 -0.05 -1.84 0.00 -1.23 -4.48 121.76 114.09 3m4o s ALA 38 Ca 0.00 0.94 -0.07 0.00 0.00 0.00 0.00 51.96 52.83 3m4o s ALA 38 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3m4o s ALA 38 CO 0.00 -0.32 0.33 0.78 0.00 0.00 0.00 175.76 176.55 3m4o h GLY 39 N 3.30 -0.25 -1.53 0.00 0.00 -1.94 -3.49 103.07 99.16 3m4o h GLY 39 Ca -0.48 0.09 -0.36 0.00 0.00 0.00 0.00 47.33 46.59 3m4o h GLY 39 CO 0.65 -0.09 -0.32 -1.14 0.00 0.00 0.00 176.54 175.64 3m4o n SER 40 N -4.25 -0.81 0.25 0.19 3.41 -1.26 -5.04 113.62 106.11 3m4o n SER 40 Ca -0.03 -2.83 0.15 0.00 -0.26 0.00 0.00 58.87 55.90 3m4o n SER 40 Cb 0.09 1.72 0.51 0.00 -0.26 0.00 0.00 64.21 66.28 3m4o n SER 40 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3m4o h PRO 41 N 0.00 0.00 -5.46 4.33 0.11 -2.01 -3.43 132.00 125.54 3m4o h PRO 41 Ca -0.22 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.48 3m4o h PRO 41 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3m4o h PRO 41 CO 0.31 0.00 1.48 -0.11 -0.21 0.00 0.00 178.00 179.47 3m4o n LEU 42 N -3.03 1.83 0.08 2.35 7.94 -1.26 -4.78 117.00 120.13 3m4o n LEU 42 Ca 0.02 -0.52 0.10 0.00 -1.11 0.00 0.00 56.01 54.50 3m4o n LEU 42 Cb 0.37 -1.46 -0.03 0.00 0.53 0.00 0.00 43.42 42.83 3m4o n LEU 42 CO 0.29 -1.57 -0.11 0.52 -1.11 0.00 0.00 177.39 175.41 3m4o n VAL 43 N 7.95 0.63 -3.65 1.96 0.31 -1.26 -4.84 118.33 119.43 3m4o n VAL 43 Ca 0.44 -0.56 -0.13 0.00 -0.01 0.00 0.00 64.34 64.08 3m4o n VAL 43 Cb 0.44 -0.35 -0.07 0.00 -0.91 0.00 0.00 33.84 32.95 3m4o n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3m4o s TYR 44 N -3.32 -0.79 0.02 3.52 5.04 -1.26 -5.05 117.35 115.51 3m4o s TYR 44 Ca -0.02 1.85 0.01 0.00 -2.44 0.00 0.00 57.07 56.47 3m4o s TYR 44 Cb 0.10 0.31 -0.02 0.00 0.35 0.00 0.00 41.96 42.70 3m4o s TYR 44 CO 0.81 -0.38 -0.05 0.50 -1.34 0.00 0.00 175.55 175.09 3m4o s ARG 45 N 0.58 0.36 -0.02 4.97 3.52 -1.26 -4.98 118.95 122.12 3m4o s ARG 45 Ca -0.02 -0.54 -0.06 0.00 -0.13 0.00 0.00 55.73 54.98 3m4o s ARG 45 Cb -0.05 -0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.22 3m4o s ARG 45 CO -0.03 0.01 -0.13 1.58 -0.81 0.00 0.00 175.30 175.92 3m4o n HIS 46 N 1.88 0.00 -2.91 5.12 -0.00 -1.26 -5.04 115.22 113.01 3m4o n HIS 46 Ca -0.21 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.45 3m4o n HIS 46 Cb 0.56 -0.21 0.01 0.00 -0.00 0.00 0.00 29.99 30.35 3m4o n HIS 46 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3m4o n GLU 47 N -3.80 -2.52 0.05 1.57 1.02 -1.26 -4.95 120.64 110.74 3m4o n GLU 47 Ca -0.07 2.15 -0.20 0.00 -0.02 0.00 0.00 57.16 59.02 3m4o n GLU 47 Cb 0.25 -4.41 -0.13 0.00 -0.02 0.00 0.00 31.44 27.13 3m4o n GLU 47 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3m4o h LEU 48 N 2.78 0.68 -9.33 -4.62 3.38 -2.08 -3.41 115.31 102.71 3m4o h LEU 48 Ca -0.06 -0.83 -0.60 0.00 0.09 0.00 0.00 57.88 56.49 3m4o h LEU 48 Cb 0.57 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.01 3m4o h LEU 48 CO 0.12 1.44 -0.39 -0.63 0.09 0.00 0.00 178.44 179.07 3m4o s ILE 49 N -2.95 5.35 0.20 1.22 1.01 -1.26 -5.10 121.20 119.68 3m4o s ILE 49 Ca -0.12 0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.97 3m4o s ILE 49 Cb 0.04 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 3m4o s ILE 49 CO 0.87 0.43 0.01 -0.89 0.00 0.00 0.00 174.94 175.37 3m4o s THR 50 N 0.24 0.81 -0.01 2.92 2.01 -1.26 -5.05 115.64 115.31 3m4o s THR 50 Ca 0.14 -2.01 0.00 0.00 0.31 0.00 0.00 61.69 60.14 3m4o s THR 50 Cb -0.12 -2.26 -0.00 0.00 0.01 0.00 0.00 72.50 70.12 3m4o s THR 50 CO 0.02 -0.37 0.01 0.59 -0.69 0.00 0.00 174.62 174.19 3m4o n ASN 51 N -0.33 2.21 -4.61 3.53 3.02 -1.26 -5.03 115.26 112.78 3m4o n ASN 51 Ca -0.05 -0.28 -0.43 0.00 -0.03 0.00 0.00 54.58 53.79 3m4o n ASN 51 Cb 0.64 1.01 -0.02 0.00 -0.61 0.00 0.00 39.78 40.79 3m4o n ASN 51 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3m4o s ILE 52 N -1.47 3.70 0.00 2.41 1.10 -1.26 -2.22 121.20 123.45 3m4o s ILE 52 Ca 0.00 0.74 0.00 0.00 -0.51 0.00 0.00 60.65 60.88 3m4o s ILE 52 Cb 0.00 -3.83 0.00 0.00 0.15 0.00 0.00 42.46 38.78 3m4o s ILE 52 CO 0.01 -0.46 0.00 0.61 -2.11 0.00 0.00 174.94 172.99 3m4o n GLY 53 N 5.01 1.06 0.00 1.50 0.00 -1.26 -5.03 105.19 106.46 3m4o n GLY 53 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3m4o n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3m4o n GLU 54 N -0.19 0.00 -1.82 1.61 1.02 -0.94 -3.59 120.64 116.72 3m4o n GLU 54 Ca 0.00 0.16 -0.43 0.00 -0.02 0.00 0.00 57.16 56.88 3m4o n GLU 54 Cb 0.00 -1.09 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 3m4o n GLU 54 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3m4o s THR 55 N -1.45 3.28 -0.04 2.62 2.01 -1.26 -2.53 115.64 118.27 3m4o s THR 55 Ca 0.00 0.31 -0.02 0.00 0.31 0.00 0.00 61.69 62.30 3m4o s THR 55 Cb 0.00 -3.28 0.03 0.00 0.01 0.00 0.00 72.50 69.26 3m4o s THR 55 CO 0.00 -0.12 0.06 0.00 -0.69 0.00 0.00 174.62 173.87 3m4o s ALA 56 N 5.95 0.19 -0.75 7.40 0.00 -1.26 -4.87 121.76 128.43 3m4o s ALA 56 Ca 0.86 0.22 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 3m4o s ALA 56 Cb -0.33 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.25 3m4o s ALA 56 CO 0.35 -0.41 0.63 0.41 0.00 0.00 0.00 175.76 176.73 3m4o n GLY 57 N 5.07 -0.03 3.55 0.00 0.00 -1.26 -4.95 105.19 107.58 3m4o n GLY 57 Ca -0.08 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 3m4o n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m4o s VAL 58 N -3.22 3.76 0.07 1.61 1.01 -1.26 -4.92 120.40 117.45 3m4o s VAL 58 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3m4o s VAL 58 Cb -0.03 -4.85 -0.04 0.00 0.00 0.00 0.00 36.38 31.47 3m4o s VAL 58 CO 0.44 -1.77 0.22 -0.69 0.00 0.00 0.00 175.10 173.30 3m4o s VAL 59 N 5.95 5.34 -0.19 2.92 1.01 -1.26 -4.98 120.40 129.19 3m4o s VAL 59 Ca 0.44 -0.45 0.27 0.00 0.00 0.00 0.00 61.98 62.23 3m4o s VAL 59 Cb -0.05 -3.63 0.28 0.00 0.00 0.00 0.00 36.38 32.98 3m4o s VAL 59 CO 0.04 0.10 1.80 -0.61 0.00 0.00 0.00 175.10 176.44 3m4o h GLN 60 N 2.95 0.00 0.00 2.72 5.75 -2.01 -1.25 115.11 123.27 3m4o h GLN 60 Ca -0.46 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 3m4o h GLN 60 Cb 1.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.72 3m4o h GLN 60 CO 0.74 0.00 -0.16 -0.25 -2.65 0.00 0.00 178.83 176.51 3m4o n ASP 61 N -2.45 0.60 0.33 -0.69 8.00 -1.26 -4.14 116.55 116.94 3m4o n ASP 61 Ca 0.00 0.41 0.21 0.00 0.71 0.00 0.00 54.79 56.12 3m4o n ASP 61 Cb 0.16 -0.47 1.12 0.00 -0.02 0.00 0.00 41.12 41.91 3m4o n ASP 61 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3m4o h ILE 62 N 0.00 0.06 -0.71 0.53 2.10 -1.58 0.08 117.51 117.99 3m4o h ILE 62 Ca 0.00 0.00 0.06 0.00 1.08 0.00 0.00 64.86 66.00 3m4o h ILE 62 Cb 0.67 0.93 -0.04 0.00 -1.09 0.00 0.00 36.82 37.29 3m4o h ILE 62 CO 0.00 0.00 0.47 1.23 -1.08 0.00 0.00 178.15 178.77 3m4o h GLY 63 N 0.00 0.95 1.50 8.18 0.00 -1.79 -3.19 103.07 108.71 3m4o h GLY 63 Ca 0.00 -0.31 -0.25 0.00 0.00 0.00 0.00 47.33 46.77 3m4o h GLY 63 CO -0.00 0.24 -1.35 1.48 0.00 0.00 0.00 176.54 176.91 3m4o h SER 64 N 0.77 0.03 -0.80 0.19 4.64 -1.29 -3.45 113.55 113.64 3m4o h SER 64 Ca 0.30 -0.05 -0.69 0.00 -0.47 0.00 0.00 61.79 60.88 3m4o h SER 64 Cb 0.21 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 3m4o h SER 64 CO -0.10 1.04 1.40 -0.67 -0.87 0.00 0.00 176.83 177.64 3m4o n ASP 65 N -3.23 1.75 0.16 4.97 -0.08 -1.21 -4.78 116.55 114.12 3m4o n ASP 65 Ca -0.09 0.46 0.13 0.00 -1.51 0.00 0.00 54.79 53.78 3m4o n ASP 65 Cb 1.00 -1.17 0.49 0.00 2.34 0.00 0.00 41.12 43.78 3m4o n ASP 65 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3m4o h PRO 66 N 11.64 0.00 0.00 -0.67 0.11 -1.91 -3.18 132.00 138.00 3m4o h PRO 66 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3m4o h PRO 66 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3m4o h PRO 66 CO 1.05 0.00 -0.11 0.25 -0.21 0.00 0.00 178.00 178.98 3m4o n THR 67 N -2.44 0.01 -3.00 -1.15 -2.24 -1.26 -4.79 114.28 99.41 3m4o n THR 67 Ca 0.03 -0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.44 3m4o n THR 67 Cb 0.30 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.13 3m4o n THR 67 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3m4o s LEU 68 N -3.02 4.37 1.09 3.22 1.43 -1.20 -5.07 118.68 119.49 3m4o s LEU 68 Ca 0.13 1.56 -0.14 0.00 -1.03 0.00 0.00 54.13 54.66 3m4o s LEU 68 Cb 0.19 -3.67 0.23 0.00 0.03 0.00 0.00 46.19 42.97 3m4o s LEU 68 CO 0.57 0.02 1.08 -2.16 0.23 0.00 0.00 176.35 176.09 3m4o s PRO 69 N -1.90 -0.29 -0.04 1.29 0.04 -1.26 -4.90 135.00 127.95 3m4o s PRO 69 Ca 0.44 0.45 -0.01 0.00 0.04 0.00 0.00 61.00 61.92 3m4o s PRO 69 Cb -0.18 -1.66 0.03 0.00 0.04 0.00 0.00 34.50 32.73 3m4o s PRO 69 CO 0.22 -3.20 0.03 1.03 0.04 0.00 0.00 177.00 175.12 3m4o s ARG 70 N -4.94 0.14 0.59 4.56 0.52 -1.26 -3.43 118.95 115.13 3m4o s ARG 70 Ca 0.67 0.21 0.08 0.00 -0.52 0.00 0.00 55.73 56.17 3m4o s ARG 70 Cb -0.18 -0.50 0.08 0.00 0.52 0.00 0.00 34.95 34.86 3m4o s ARG 70 CO 0.59 -0.23 0.67 -1.54 0.02 0.00 0.00 175.30 174.81 3m4o s SER 71 N 1.54 4.86 -0.09 0.23 1.04 -1.26 -5.00 113.70 115.02 3m4o s SER 71 Ca -0.03 -1.06 0.15 0.00 0.48 0.00 0.00 55.95 55.49 3m4o s SER 71 Cb -0.13 0.50 0.59 0.00 0.10 0.00 0.00 66.02 67.08 3m4o s SER 71 CO -0.03 -1.34 1.47 -0.90 0.98 0.00 0.00 173.24 173.42 3m4o n ASP 72 N -2.12 3.96 -4.76 7.02 5.75 -1.26 -4.72 116.55 120.42 3m4o n ASP 72 Ca 0.10 -2.35 -0.40 0.00 -0.01 0.00 0.00 54.79 52.13 3m4o n ASP 72 Cb 0.63 -0.52 -0.06 0.00 -1.03 0.00 0.00 41.12 40.14 3m4o n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3m4o s ARG 73 N -1.76 4.75 0.57 0.11 0.52 -1.26 -4.99 118.95 116.88 3m4o s ARG 73 Ca 0.42 1.37 -0.18 0.00 -0.52 0.00 0.00 55.73 56.81 3m4o s ARG 73 Cb 0.27 -3.28 -0.05 0.00 0.52 0.00 0.00 34.95 32.41 3m4o s ARG 73 CO 0.21 0.52 1.12 -1.21 0.02 0.00 0.00 175.30 175.96 3m4o s GLU 74 N -1.11 3.25 -0.19 3.54 2.02 -1.26 -4.38 118.70 120.57 3m4o s GLU 74 Ca 0.39 1.56 -0.11 0.00 0.02 0.00 0.00 54.97 56.83 3m4o s GLU 74 Cb -0.25 -2.00 -0.05 0.00 0.10 0.00 0.00 34.13 31.94 3m4o s GLU 74 CO 0.30 -0.92 0.16 0.00 0.02 0.00 0.00 175.26 174.82 3m4o h PRO 76 N 6.56 0.00 0.00 0.00 0.11 -1.96 -0.85 132.00 135.87 3m4o h PRO 76 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3m4o h PRO 76 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3m4o h PRO 76 CO 0.75 0.00 0.00 1.17 -0.21 0.00 0.00 178.00 179.71 3m4o n LYS 77 N -2.66 0.00 0.02 1.05 4.81 -1.26 -4.70 118.16 115.42 3m4o n LYS 77 Ca -0.00 0.03 0.04 0.00 -0.87 0.00 0.00 58.31 57.50 3m4o n LYS 77 Cb 0.78 -0.37 0.42 0.00 0.02 0.00 0.00 35.03 35.88 3m4o n LYS 77 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3m4o n HIS 79 N -4.44 0.00 -2.49 0.00 8.25 -0.33 -4.99 115.22 111.21 3m4o n HIS 79 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 3m4o n HIS 79 Cb 0.10 -1.19 -0.03 0.00 1.12 0.00 0.00 29.99 29.98 3m4o n HIS 79 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3m4o s SER 80 N -2.21 7.18 0.00 0.41 1.04 -1.26 -4.61 113.70 114.25 3m4o s SER 80 Ca 0.00 1.99 0.00 0.00 0.48 0.00 0.00 55.95 58.42 3m4o s SER 80 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 3m4o s SER 80 CO 0.00 -0.36 0.78 0.54 0.98 0.00 0.00 173.24 175.18 3m4o n ARG 81 N 3.40 0.95 -3.38 4.02 1.74 -1.26 -3.50 116.66 118.64 3m4o n ARG 81 Ca 0.06 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.74 3m4o n ARG 81 Cb 0.47 -1.19 -0.09 0.00 -1.02 0.00 0.00 32.46 30.63 3m4o n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3m4o s GLU 82 N -0.33 3.74 0.00 5.56 0.41 -1.26 -4.72 118.70 122.10 3m4o s GLU 82 Ca 0.00 -0.21 0.00 0.00 -0.41 0.00 0.00 54.97 54.35 3m4o s GLU 82 Cb 0.00 -3.75 0.00 0.00 -1.78 0.00 0.00 34.13 28.60 3m4o s GLU 82 CO 0.00 -0.44 0.00 0.27 -0.49 0.00 0.00 175.26 174.60 3m4o n ASN 83 N 5.41 0.00 0.00 -0.19 2.04 -1.26 -1.15 115.26 120.11 3m4o n ASN 83 Ca -0.08 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.06 3m4o n ASN 83 Cb 0.50 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.75 3m4o n ASN 83 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37 3m4o n VAL 84 N 0.00 0.00 -3.98 3.53 3.14 -1.15 -4.71 118.33 115.17 3m4o n VAL 84 Ca 0.00 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.27 3m4o n VAL 84 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 3m4o n VAL 84 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 3m4o s PHE 85 N -1.84 0.49 0.00 1.45 -0.12 -1.22 -1.53 117.98 115.20 3m4o s PHE 85 Ca 0.00 -0.88 0.00 0.00 -0.05 0.00 0.00 56.93 56.00 3m4o s PHE 85 Cb 0.00 0.28 0.00 0.00 -0.63 0.00 0.00 43.02 42.67 3m4o s PHE 85 CO 0.00 -1.17 0.00 1.97 -0.05 0.00 0.00 175.22 175.97 3m4o n PHE 86 N -0.47 0.00 -1.47 3.49 1.16 -1.23 -4.20 117.46 114.74 3m4o n PHE 86 Ca -0.02 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.26 3m4o n PHE 86 Cb 0.61 0.00 0.12 0.00 -1.61 0.00 0.00 39.48 38.60 3m4o n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3m4o s GLN 87 N -1.25 1.46 -0.48 3.97 -0.21 -1.26 -2.40 119.66 119.48 3m4o s GLN 87 Ca 0.00 0.51 -0.45 0.00 0.02 0.00 0.00 55.36 55.45 3m4o s GLN 87 Cb 0.00 -1.86 -0.19 0.00 1.00 0.00 0.00 33.01 31.96 3m4o s GLN 87 CO 0.00 -2.02 1.69 0.45 -2.12 0.00 0.00 175.29 173.28 3m4o n SER 88 N -3.69 1.06 0.00 5.90 2.88 -1.18 -4.76 113.62 113.83 3m4o n SER 88 Ca 0.07 1.02 0.04 0.00 -1.33 0.00 0.00 58.87 58.67 3m4o n SER 88 Cb 0.57 -0.86 0.20 0.00 -0.75 0.00 0.00 64.21 63.38 3m4o n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3m4o n GLN 89 N 4.76 0.05 -2.10 -1.46 1.13 -1.05 -4.57 117.38 114.14 3m4o n GLN 89 Ca 0.36 0.29 -0.42 0.00 -1.94 0.00 0.00 57.00 55.29 3m4o n GLN 89 Cb -0.05 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.77 3m4o n GLN 89 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3m4o s GLN 90 N -2.83 4.15 -1.01 -1.09 -0.21 -1.24 -4.92 119.66 112.51 3m4o s GLN 90 Ca 0.06 2.04 -0.01 0.00 0.02 0.00 0.00 55.36 57.47 3m4o s GLN 90 Cb 0.06 -3.95 0.32 0.00 1.00 0.00 0.00 33.01 30.44 3m4o s GLN 90 CO 0.15 -0.86 1.68 0.54 -2.12 0.00 0.00 175.29 174.68 3m4o n ARG 91 N 7.08 5.05 -4.42 2.91 5.12 -1.26 -4.94 116.66 126.20 3m4o n ARG 91 Ca 0.17 -4.65 -0.24 0.00 -1.93 0.00 0.00 57.85 51.19 3m4o n ARG 91 Cb 0.43 -2.46 -0.10 0.00 -1.16 0.00 0.00 32.46 29.17 3m4o n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3m4o s ARG 92 N -3.88 1.82 0.12 5.56 3.52 -1.26 -5.08 118.95 119.75 3m4o s ARG 92 Ca 0.38 -1.64 -0.01 0.00 -0.13 0.00 0.00 55.73 54.33 3m4o s ARG 92 Cb 0.16 -1.89 -0.16 0.00 -1.56 0.00 0.00 34.95 31.50 3m4o s ARG 92 CO -0.07 0.35 1.25 0.87 -0.81 0.00 0.00 175.30 176.90 3m4o h LYS 93 N 2.32 0.25 -0.27 5.12 1.57 -2.04 -3.34 116.57 120.18 3m4o h LYS 93 Ca -0.42 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.02 3m4o h LYS 93 Cb 1.25 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.67 3m4o h LYS 93 CO 0.58 1.10 0.00 -0.40 -0.57 0.00 0.00 179.45 180.16 3m4o n ASP 94 N -3.59 1.82 -4.86 0.86 3.85 -1.26 -4.97 116.55 108.40 3m4o n ASP 94 Ca -0.06 -1.86 -0.31 0.00 -0.71 0.00 0.00 54.79 51.86 3m4o n ASP 94 Cb 0.92 -0.18 -0.03 0.00 -1.35 0.00 0.00 41.12 40.48 3m4o n ASP 94 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3m4o s THR 95 N -1.65 4.70 0.41 2.12 2.01 -1.26 -5.01 115.64 116.97 3m4o s THR 95 Ca 0.28 0.82 -0.25 0.00 0.31 0.00 0.00 61.69 62.85 3m4o s THR 95 Cb 0.15 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.83 3m4o s THR 95 CO 0.21 -0.63 1.26 -0.94 -0.69 0.00 0.00 174.62 173.83 3m4o s SER 96 N -3.24 6.32 0.00 3.53 1.04 -1.26 -4.90 113.70 115.20 3m4o s SER 96 Ca 0.54 2.56 0.00 0.00 0.48 0.00 0.00 55.95 59.53 3m4o s SER 96 Cb -0.10 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3m4o s SER 96 CO 0.33 -0.83 0.50 0.80 0.98 0.00 0.00 173.24 175.01 3m4o n MET 97 N 0.04 0.76 -2.26 4.02 1.56 -1.26 -4.57 117.12 115.41 3m4o n MET 97 Ca 0.04 0.00 -0.40 0.00 -0.27 0.00 0.00 57.70 57.07 3m4o n MET 97 Cb 0.45 -1.26 -0.03 0.00 2.15 0.00 0.00 33.22 34.53 3m4o n MET 97 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 3m4o s VAL 98 N -1.31 3.04 0.00 1.12 1.01 -1.26 -4.92 120.40 118.08 3m4o s VAL 98 Ca 0.00 1.03 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 3m4o s VAL 98 Cb 0.00 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 3m4o s VAL 98 CO 0.00 0.23 0.40 -0.76 0.00 0.00 0.00 175.10 174.97 3m4o s LEU 99 N -1.74 4.46 -0.12 3.92 1.43 -1.26 -3.08 118.68 122.29 3m4o s LEU 99 Ca 0.48 0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 54.50 3m4o s LEU 99 Cb -0.36 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 3m4o s LEU 99 CO 0.47 0.32 -0.08 -0.36 0.23 0.00 0.00 176.35 176.93 3m4o s PHE 100 N -1.11 2.91 -0.26 0.29 0.40 -1.01 -1.31 117.98 117.90 3m4o s PHE 100 Ca 0.24 -0.32 -0.04 0.00 -0.60 0.00 0.00 56.93 56.22 3m4o s PHE 100 Cb -0.16 -1.84 0.01 0.00 0.51 0.00 0.00 43.02 41.55 3m4o s PHE 100 CO 0.13 0.02 -0.01 -0.06 0.70 0.00 0.00 175.22 176.00 3m4o s PHE 101 N -0.01 3.08 -0.56 0.36 0.40 0.24 -3.49 117.98 117.99 3m4o s PHE 101 Ca -0.01 -1.25 -0.21 0.00 -0.60 0.00 0.00 56.93 54.86 3m4o s PHE 101 Cb -0.14 -2.14 0.07 0.00 0.51 0.00 0.00 43.02 41.32 3m4o s PHE 101 CO 0.03 -0.64 0.78 0.08 0.70 0.00 0.00 175.22 176.17 3m4o s VAL 102 N 1.41 4.64 0.96 -0.44 1.01 -0.58 -0.64 120.40 126.75 3m4o s VAL 102 Ca 0.02 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 3m4o s VAL 102 Cb -0.16 -4.47 0.02 0.00 0.00 0.00 0.00 36.38 31.76 3m4o s VAL 102 CO -0.02 -1.07 0.27 0.00 0.00 0.00 0.00 175.10 174.29 3m4o n LEU 104 N -0.82 0.66 -0.11 0.00 4.77 -0.30 -3.96 117.00 117.23 3m4o n LEU 104 Ca 0.06 -0.49 -0.17 0.00 -0.03 0.00 0.00 56.01 55.38 3m4o n LEU 104 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 3m4o n LEU 104 CO 0.51 0.16 -1.22 -1.20 -1.33 0.00 0.00 177.39 174.31 3m4o n SER 105 N -1.35 2.17 -0.88 -1.43 7.64 -1.26 -4.57 113.62 113.94 3m4o n SER 105 Ca 0.03 -0.03 0.09 0.00 1.01 0.00 0.00 58.87 59.97 3m4o n SER 105 Cb 0.22 -0.42 0.16 0.00 -1.01 0.00 0.00 64.21 63.17 3m4o n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m4o n SER 107 N 1.08 -2.71 -4.65 0.00 2.88 -1.25 -4.89 113.62 104.08 3m4o n SER 107 Ca 0.15 0.24 -0.43 0.00 -1.33 0.00 0.00 58.87 57.50 3m4o n SER 107 Cb 0.49 -2.60 -0.02 0.00 -0.75 0.00 0.00 64.21 61.33 3m4o n SER 107 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 3m4o s HIS 108 N -1.79 2.95 -0.63 0.66 5.65 -1.26 -4.61 115.29 116.26 3m4o s HIS 108 Ca 0.00 1.08 -0.26 0.00 0.25 0.00 0.00 55.06 56.14 3m4o s HIS 108 Cb 0.00 -3.63 0.04 0.00 -1.18 0.00 0.00 32.58 27.81 3m4o s HIS 108 CO 0.00 -1.29 1.09 0.42 -0.65 0.00 0.00 174.74 174.31 3m4o s ILE 109 N 3.75 4.11 0.47 0.89 1.09 -1.26 -2.32 121.20 127.93 3m4o s ILE 109 Ca 0.51 0.36 0.07 0.00 -1.10 0.00 0.00 60.65 60.49 3m4o s ILE 109 Cb -0.17 -4.71 0.00 0.00 -1.06 0.00 0.00 42.46 36.52 3m4o s ILE 109 CO 0.16 -1.42 0.38 0.72 -0.10 0.00 0.00 174.94 174.68 3m4o s PHE 110 N 4.67 2.22 0.24 3.97 -0.12 0.18 -4.90 117.98 124.26 3m4o s PHE 110 Ca 0.33 -0.65 0.09 0.00 -0.05 0.00 0.00 56.93 56.65 3m4o s PHE 110 Cb -0.11 -2.05 -0.05 0.00 -0.63 0.00 0.00 43.02 40.18 3m4o s PHE 110 CO 0.18 -0.26 -0.15 0.99 -0.05 0.00 0.00 175.22 175.93 3m4o s THR 111 N -2.61 1.99 -2.01 -4.49 2.01 -1.26 0.81 115.64 110.08 3m4o s THR 111 Ca 0.42 -2.27 0.12 0.00 0.31 0.00 0.00 61.69 60.28 3m4o s THR 111 Cb -0.02 -2.20 0.35 0.00 0.01 0.00 0.00 72.50 70.64 3m4o s THR 111 CO 0.25 -0.48 1.30 -1.54 -0.69 0.00 0.00 174.62 173.46 3m4o n SER 112 N -0.50 2.08 -4.55 3.53 3.41 -0.43 -4.92 113.62 112.25 3m4o n SER 112 Ca -0.07 -1.99 -0.42 0.00 -0.26 0.00 0.00 58.87 56.14 3m4o n SER 112 Cb 0.61 -0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 64.23 3m4o n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3m4o s ASP 113 N -1.03 6.37 0.22 4.04 -1.08 -1.26 -4.86 116.67 119.06 3m4o s ASP 113 Ca 0.26 -0.06 0.19 0.00 -0.52 0.00 0.00 52.55 52.42 3m4o s ASP 113 Cb 0.14 -2.31 0.03 0.00 -1.46 0.00 0.00 42.92 39.31 3m4o s ASP 113 CO 0.18 -0.63 1.18 1.56 0.52 0.00 0.00 175.17 177.98 3m4o h GLN 114 N 8.60 0.00 0.00 4.34 4.20 -2.02 -3.41 115.11 126.83 3m4o h GLN 114 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 3m4o h GLN 114 Cb 1.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.89 3m4o h GLN 114 CO 0.84 0.24 -0.10 0.87 -0.67 0.00 0.00 178.83 180.01 3m4o h LYS 115 N 0.00 0.00 -6.37 1.46 1.57 -2.03 -3.48 116.57 107.72 3m4o h LYS 115 Ca -0.05 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.18 3m4o h LYS 115 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 3m4o h LYS 115 CO 0.03 0.00 0.75 -0.80 -0.57 0.00 0.00 179.45 178.86 3m4o s ASN 116 N -3.96 6.95 0.50 0.86 0.01 -1.26 -5.04 114.94 112.99 3m4o s ASN 116 Ca -0.03 2.00 -0.19 0.00 -0.71 0.00 0.00 52.86 53.94 3m4o s ASN 116 Cb 0.00 -2.56 -0.08 0.00 0.41 0.00 0.00 41.25 39.02 3m4o s ASN 116 CO 0.04 -0.64 1.01 -1.59 -1.51 0.00 0.00 177.10 174.42 3m4o s LYS 117 N 2.11 3.82 -0.08 -0.60 -2.85 -1.26 -4.87 119.74 116.01 3m4o s LYS 117 Ca 0.60 1.20 -0.06 0.00 -1.00 0.00 0.00 55.97 56.71 3m4o s LYS 117 Cb -0.29 -2.11 0.03 0.00 -2.06 0.00 0.00 37.83 33.40 3m4o s LYS 117 CO 0.25 -0.39 0.21 1.03 0.10 0.00 0.00 175.35 176.55 3m4o s ARG 118 N -3.54 0.22 -0.19 1.78 0.52 -1.26 -5.05 118.95 111.43 3m4o s ARG 118 Ca 0.64 0.36 -0.18 0.00 -0.52 0.00 0.00 55.73 56.03 3m4o s ARG 118 Cb -0.13 0.03 -0.21 0.00 0.52 0.00 0.00 34.95 35.16 3m4o s ARG 118 CO 0.24 -0.08 0.23 2.41 0.02 0.00 0.00 175.30 178.12 3m4o n THR 119 N 3.41 1.59 0.00 0.02 -1.04 -1.26 -5.15 114.28 111.86 3m4o n THR 119 Ca -0.17 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 3m4o n THR 119 Cb 0.56 -1.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 3m4o n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43