#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y77 n THR 3 N 0.00 0.00 -1.04 12.58 -1.04 -1.26 -4.82 114.28 118.69 1y77 n THR 3 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1y77 n THR 3 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 1y77 n THR 3 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1y77 n PHE 4 N 0.01 -3.74 -3.68 -1.42 1.16 -1.26 -5.09 117.46 103.44 1y77 n PHE 4 Ca 0.00 -0.30 -0.14 0.00 -1.87 0.00 0.00 57.45 55.15 1y77 n PHE 4 Cb 0.00 -0.28 -0.07 0.00 -1.61 0.00 0.00 39.48 37.52 1y77 n PHE 4 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 1y77 s ARG 5 N -3.73 0.85 0.44 3.97 3.52 -1.26 -5.17 118.95 117.56 1y77 s ARG 5 Ca 0.20 -0.22 0.08 0.00 -0.13 0.00 0.00 55.73 55.65 1y77 s ARG 5 Cb -0.01 0.38 0.01 0.00 -1.56 0.00 0.00 34.95 33.77 1y77 s ARG 5 CO 0.14 -0.27 0.51 -0.06 -0.81 0.00 0.00 175.30 174.81 1y77 s PHE 6 N -1.91 2.62 0.65 5.12 2.99 -1.26 -4.00 117.98 122.19 1y77 s PHE 6 Ca -0.09 -0.48 0.01 0.00 0.00 0.00 0.00 56.93 56.37 1y77 s PHE 6 Cb -0.02 -2.27 0.09 0.00 0.00 0.00 0.00 43.02 40.81 1y77 s PHE 6 CO 0.02 -0.37 0.90 0.00 -0.00 0.00 0.00 175.22 175.76 1y77 n ARG 8 N -2.61 0.32 0.00 0.00 1.85 -1.26 -3.52 116.66 111.44 1y77 n ARG 8 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 1y77 n ARG 8 Cb 0.60 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 1y77 n ARG 8 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1y77 n ASP 9 N -2.86 0.00 -0.24 2.89 5.75 -1.26 -2.17 116.55 118.67 1y77 n ASP 9 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.92 1y77 n ASP 9 Cb 0.00 0.00 0.59 0.00 -1.03 0.00 0.00 41.12 40.68 1y77 n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1y77 n ASN 11 N -0.56 -3.16 0.00 0.00 5.15 -0.92 -4.98 115.26 110.80 1y77 n ASN 11 Ca 0.17 -0.60 0.00 0.00 -0.60 0.00 0.00 54.58 53.54 1y77 n ASN 11 Cb 0.29 -1.04 0.00 0.00 -0.53 0.00 0.00 39.78 38.50 1y77 n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1y77 n ASN 12 N -1.42 0.00 -4.97 1.20 5.03 -1.26 -4.88 115.26 108.96 1y77 n ASN 12 Ca -0.20 0.00 -0.21 0.00 0.87 0.00 0.00 54.58 55.03 1y77 n ASN 12 Cb 0.46 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.21 1y77 n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 1y77 s MET 13 N 4.39 3.30 -0.26 3.52 -2.45 -1.26 -3.95 119.30 122.59 1y77 s MET 13 Ca 0.00 -0.68 0.01 0.00 -1.25 0.00 0.00 55.69 53.77 1y77 s MET 13 Cb 0.00 -2.76 0.07 0.00 1.25 0.00 0.00 34.83 33.39 1y77 s MET 13 CO 0.00 0.14 -0.02 -0.51 1.05 0.00 0.00 175.02 175.68 1y77 s LEU 14 N -4.22 2.83 0.04 4.11 1.43 -1.25 -4.43 118.68 117.18 1y77 s LEU 14 Ca 0.41 -1.36 -0.17 0.00 -1.03 0.00 0.00 54.13 51.98 1y77 s LEU 14 Cb -0.09 -1.21 -0.06 0.00 0.03 0.00 0.00 46.19 44.86 1y77 s LEU 14 CO 0.33 -0.27 0.49 -0.31 0.23 0.00 0.00 176.35 176.82 1y77 s TYR 15 N 1.35 3.77 0.18 0.29 1.51 -0.85 -4.66 117.35 118.93 1y77 s TYR 15 Ca -0.02 1.14 -0.15 0.00 -1.01 0.00 0.00 57.07 57.03 1y77 s TYR 15 Cb -0.19 -2.40 -0.07 0.00 -0.11 0.00 0.00 41.96 39.19 1y77 s TYR 15 CO -0.08 0.61 0.59 -1.25 -1.11 0.00 0.00 175.55 174.31 1y77 s PRO 16 N -1.06 4.02 0.04 -1.71 0.04 -1.26 -1.30 135.00 133.77 1y77 s PRO 16 Ca 0.26 0.56 -0.01 0.00 0.04 0.00 0.00 61.00 61.85 1y77 s PRO 16 Cb -0.18 -2.88 -0.03 0.00 0.04 0.00 0.00 34.50 31.46 1y77 s PRO 16 CO 0.16 0.43 -0.01 1.03 0.04 0.00 0.00 177.00 178.65 1y77 s ARG 17 N -2.07 0.48 0.05 4.56 0.52 -0.87 -4.99 118.95 116.63 1y77 s ARG 17 Ca 0.40 -0.89 -0.03 0.00 -0.52 0.00 0.00 55.73 54.68 1y77 s ARG 17 Cb -0.15 0.17 -0.05 0.00 0.52 0.00 0.00 34.95 35.45 1y77 s ARG 17 CO 0.20 -0.09 0.26 -2.00 0.02 0.00 0.00 175.30 173.69 1y77 s GLU 18 N -2.69 3.52 -0.75 3.54 2.12 -1.26 -2.67 118.70 120.51 1y77 s GLU 18 Ca -0.04 -0.23 -0.15 0.00 0.36 0.00 0.00 54.97 54.91 1y77 s GLU 18 Cb -0.01 -3.02 0.19 0.00 0.26 0.00 0.00 34.13 31.56 1y77 s GLU 18 CO -0.05 0.60 0.69 0.34 -0.54 0.00 0.00 175.26 176.30 1y77 s ASP 19 N -2.16 6.60 0.18 -1.70 -1.08 -0.95 -4.94 116.67 112.62 1y77 s ASP 19 Ca 0.33 -2.43 -0.14 0.00 -0.52 0.00 0.00 52.55 49.79 1y77 s ASP 19 Cb -0.13 -2.21 0.15 0.00 -1.46 0.00 0.00 42.92 39.27 1y77 s ASP 19 CO 0.22 -0.66 1.74 0.11 0.52 0.00 0.00 175.17 177.10 1y77 h LYS 20 N 8.10 0.29 -0.09 4.34 1.57 -1.97 -1.03 116.57 127.77 1y77 h LYS 20 Ca -0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1y77 h LYS 20 Cb 1.06 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 1y77 h LYS 20 CO 0.84 0.19 0.02 1.49 -0.57 0.00 0.00 179.45 181.42 1y77 h GLU 21 N 0.29 0.15 -0.02 3.15 4.81 -1.99 -3.29 114.58 117.69 1y77 h GLU 21 Ca 0.22 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1y77 h GLU 21 Cb 0.25 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1y77 h GLU 21 CO -0.25 0.34 -0.09 0.09 -0.73 0.00 0.00 179.01 178.37 1y77 n ASN 22 N -4.87 1.69 -2.95 1.04 3.02 -1.19 -5.02 115.26 106.97 1y77 n ASN 22 Ca -0.06 -1.45 -0.03 0.00 -0.03 0.00 0.00 54.58 53.00 1y77 n ASN 22 Cb 0.16 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1y77 n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1y77 n ASN 23 N 0.18 -7.79 -3.53 6.41 4.13 -0.40 -5.05 115.26 109.21 1y77 n ASN 23 Ca 0.16 0.18 -0.07 0.00 1.68 0.00 0.00 54.58 56.53 1y77 n ASN 23 Cb 0.40 -5.30 -0.02 0.00 -1.54 0.00 0.00 39.78 33.33 1y77 n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1y77 s ARG 24 N -2.83 0.80 -0.07 3.52 1.70 -1.22 -5.03 118.95 115.82 1y77 s ARG 24 Ca 0.10 -0.32 -0.10 0.00 -0.47 0.00 0.00 55.73 54.95 1y77 s ARG 24 Cb -0.03 0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 34.66 1y77 s ARG 24 CO 0.75 -0.35 0.24 -1.17 -1.08 0.00 0.00 175.30 173.68 1y77 s LEU 25 N -2.50 4.42 0.13 -1.89 2.96 -1.26 -2.24 118.68 118.29 1y77 s LEU 25 Ca 0.06 0.64 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1y77 s LEU 25 Cb -0.01 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 1y77 s LEU 25 CO -0.08 0.37 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.53 1y77 s LEU 26 N -1.10 2.31 0.49 -0.68 1.43 -1.09 0.27 118.68 120.31 1y77 s LEU 26 Ca 0.19 -1.08 0.02 0.00 -1.03 0.00 0.00 54.13 52.22 1y77 s LEU 26 Cb -0.14 -0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.04 1y77 s LEU 26 CO 0.08 -0.53 0.03 -0.36 0.23 0.00 0.00 176.35 175.80 1y77 s PHE 27 N -3.68 1.86 0.08 0.29 2.99 0.01 -2.05 117.98 117.49 1y77 s PHE 27 Ca 0.17 -1.01 -0.25 0.00 0.00 0.00 0.00 56.93 55.83 1y77 s PHE 27 Cb 0.06 -1.53 0.09 0.00 0.00 0.00 0.00 43.02 41.63 1y77 s PHE 27 CO -0.01 0.13 1.17 -0.85 -0.00 0.00 0.00 175.22 175.66 1y77 n GLU 28 N -1.20 0.41 -4.65 0.44 0.28 -0.42 -2.47 120.64 113.04 1y77 n GLU 28 Ca -0.17 -1.13 -0.32 0.00 -0.16 0.00 0.00 57.16 55.39 1y77 n GLU 28 Cb 0.67 1.65 -0.12 0.00 1.43 0.00 0.00 31.44 35.06 1y77 n GLU 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1y77 n ARG 30 N 1.73 2.40 0.03 0.00 1.74 -1.26 -4.53 116.66 116.77 1y77 n ARG 30 Ca -0.16 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 53.85 1y77 n ARG 30 Cb 0.52 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1y77 n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1y77 n THR 31 N -0.87 0.44 0.00 0.55 -1.04 -1.26 -5.08 114.28 107.03 1y77 n THR 31 Ca 0.37 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.53 1y77 n THR 31 Cb 1.18 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 1y77 n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y77 n SER 33 N 0.00 0.20 -4.16 0.00 7.64 -1.26 -4.85 113.62 111.19 1y77 n SER 33 Ca 0.00 -1.07 -0.35 0.00 1.01 0.00 0.00 58.87 58.47 1y77 n SER 33 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 1y77 n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y77 n TYR 34 N -0.03 -3.79 -3.62 1.43 -0.00 -1.26 -4.82 117.16 105.07 1y77 n TYR 34 Ca 0.00 0.07 -0.04 0.00 -0.00 0.00 0.00 57.90 57.93 1y77 n TYR 34 Cb 0.34 -1.56 -0.06 0.00 -0.00 0.00 0.00 39.34 38.06 1y77 n TYR 34 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1y77 s VAL 35 N -2.15 -0.17 0.04 2.97 1.01 -1.26 -3.36 120.40 117.48 1y77 s VAL 35 Ca 0.46 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.50 1y77 s VAL 35 Cb -0.19 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 1y77 s VAL 35 CO 0.77 0.00 -0.15 -1.83 0.00 0.00 0.00 175.10 173.88 1y77 s GLU 36 N 1.77 1.02 1.02 2.72 -1.05 -1.03 -4.95 118.70 118.21 1y77 s GLU 36 Ca -0.09 -0.81 -0.15 0.00 -0.15 0.00 0.00 54.97 53.78 1y77 s GLU 36 Cb -0.06 -1.06 0.08 0.00 -0.44 0.00 0.00 34.13 32.66 1y77 s GLU 36 CO -0.18 0.26 0.34 -0.85 0.95 0.00 0.00 175.26 175.78 1y77 n GLU 37 N 1.86 -0.87 -1.87 -4.83 0.28 -1.26 -0.81 120.64 113.14 1y77 n GLU 37 Ca -0.18 -0.22 -0.35 0.00 -0.16 0.00 0.00 57.16 56.25 1y77 n GLU 37 Cb 0.54 -1.84 0.05 0.00 1.43 0.00 0.00 31.44 31.62 1y77 n GLU 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1y77 s ALA 38 N -2.35 2.45 -0.18 -1.84 0.00 0.14 -4.56 121.76 115.42 1y77 s ALA 38 Ca 0.58 0.90 -0.16 0.00 0.00 0.00 0.00 51.96 53.28 1y77 s ALA 38 Cb -0.18 -3.43 -0.12 0.00 0.00 0.00 0.00 23.12 19.39 1y77 s ALA 38 CO 0.66 -1.30 0.02 0.41 0.00 0.00 0.00 175.76 175.55 1y77 n GLY 39 N 0.31 -0.88 3.27 0.00 0.00 -1.26 -5.02 105.19 101.60 1y77 n GLY 39 Ca 0.13 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 1y77 n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y77 s SER 40 N -6.36 -0.00 0.00 1.61 1.04 -1.26 -5.05 113.70 103.68 1y77 s SER 40 Ca -0.23 -0.59 0.21 0.00 0.48 0.00 0.00 55.95 55.82 1y77 s SER 40 Cb 0.04 0.40 1.20 0.00 0.10 0.00 0.00 66.02 67.77 1y77 s SER 40 CO 0.42 -0.80 1.62 -0.81 0.98 0.00 0.00 173.24 174.65 1y77 n PRO 41 N -0.14 0.60 -2.93 4.02 -0.04 -1.26 -4.69 135.00 130.56 1y77 n PRO 41 Ca -0.14 0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 62.90 1y77 n PRO 41 Cb 0.63 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.54 1y77 n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1y77 s LEU 42 N -2.08 4.33 -0.10 1.53 2.96 -1.26 -4.91 118.68 119.15 1y77 s LEU 42 Ca 0.29 -0.47 0.16 0.00 -0.22 0.00 0.00 54.13 53.89 1y77 s LEU 42 Cb 0.14 -2.74 -0.23 0.00 0.50 0.00 0.00 46.19 43.85 1y77 s LEU 42 CO 0.25 -1.12 0.42 0.52 -1.32 0.00 0.00 176.35 175.10 1y77 n VAL 43 N 6.05 1.43 -3.72 1.68 0.31 -1.26 -4.88 118.33 117.94 1y77 n VAL 43 Ca -0.00 -0.80 -0.13 0.00 -0.01 0.00 0.00 64.34 63.40 1y77 n VAL 43 Cb 0.47 -0.73 -0.07 0.00 -0.91 0.00 0.00 33.84 32.59 1y77 n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1y77 s TYR 44 N -2.61 -0.20 -0.16 3.52 5.04 -1.26 -5.06 117.35 116.61 1y77 s TYR 44 Ca -0.07 0.18 -0.10 0.00 -2.44 0.00 0.00 57.07 54.65 1y77 s TYR 44 Cb 0.07 0.15 0.06 0.00 0.35 0.00 0.00 41.96 42.59 1y77 s TYR 44 CO 0.83 -0.50 0.40 0.50 -1.34 0.00 0.00 175.55 175.44 1y77 s ARG 45 N -2.14 0.39 -0.23 4.97 3.52 -1.26 -5.07 118.95 119.13 1y77 s ARG 45 Ca -0.08 0.75 -0.16 0.00 -0.13 0.00 0.00 55.73 56.11 1y77 s ARG 45 Cb -0.02 -0.00 -0.12 0.00 -1.56 0.00 0.00 34.95 33.25 1y77 s ARG 45 CO -0.00 -0.15 -0.15 1.58 -0.81 0.00 0.00 175.30 175.77 1y77 n HIS 46 N 4.10 0.44 -2.71 5.12 -0.00 -1.26 -5.09 115.22 115.82 1y77 n HIS 46 Ca -0.22 0.19 -0.03 0.00 -0.00 0.00 0.00 57.72 57.66 1y77 n HIS 46 Cb 0.55 -0.93 -0.02 0.00 -0.00 0.00 0.00 29.99 29.59 1y77 n HIS 46 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1y77 n GLU 47 N -4.38 -3.75 -0.08 1.57 2.13 -1.26 -4.99 120.64 109.87 1y77 n GLU 47 Ca -0.36 2.94 -0.15 0.00 0.66 0.00 0.00 57.16 60.25 1y77 n GLU 47 Cb 0.69 -4.82 -0.09 0.00 0.27 0.00 0.00 31.44 27.49 1y77 n GLU 47 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1y77 h LEU 48 N 3.67 0.00 -7.94 4.31 3.38 -2.08 -3.41 115.31 113.25 1y77 h LEU 48 Ca -0.26 -0.55 -0.72 0.00 0.09 0.00 0.00 57.88 56.44 1y77 h LEU 48 Cb 0.64 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.19 1y77 h LEU 48 CO 0.05 1.12 0.58 -0.63 0.09 0.00 0.00 178.44 179.65 1y77 s ILE 49 N -2.21 5.01 0.65 1.22 1.01 -1.26 -5.02 121.20 120.60 1y77 s ILE 49 Ca -0.21 -1.84 -0.12 0.00 0.00 0.00 0.00 60.65 58.49 1y77 s ILE 49 Cb 0.02 -4.67 -0.01 0.00 0.01 0.00 0.00 42.46 37.80 1y77 s ILE 49 CO 0.51 -1.35 1.05 -0.89 0.00 0.00 0.00 174.94 174.27 1y77 s THR 50 N 1.89 4.07 0.00 2.92 2.01 -1.26 -4.98 115.64 120.30 1y77 s THR 50 Ca 0.27 0.76 0.00 0.00 0.31 0.00 0.00 61.69 63.03 1y77 s THR 50 Cb -0.07 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.98 1y77 s THR 50 CO -0.09 -0.80 0.01 0.59 -0.69 0.00 0.00 174.62 173.64 1y77 n ASN 51 N -2.75 0.00 -4.64 3.53 4.13 -1.26 -5.07 115.26 109.20 1y77 n ASN 51 Ca 0.08 -1.00 -0.41 0.00 1.68 0.00 0.00 54.58 54.93 1y77 n ASN 51 Cb 0.53 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.72 1y77 n ASN 51 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1y77 s ILE 52 N 0.00 4.98 0.00 2.41 -4.36 -1.26 -3.37 121.20 119.60 1y77 s ILE 52 Ca 0.00 1.21 0.00 0.00 -0.26 0.00 0.00 60.65 61.60 1y77 s ILE 52 Cb 0.00 -3.96 0.00 0.00 1.25 0.00 0.00 42.46 39.75 1y77 s ILE 52 CO 0.00 0.04 0.00 0.61 0.24 0.00 0.00 174.94 175.83 1y77 n GLY 53 N 3.98 0.85 0.42 6.27 0.00 -1.26 -4.95 105.19 110.50 1y77 n GLY 53 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.25 1y77 n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1y77 h GLU 54 N 1.70 0.22 -2.06 1.61 5.08 -1.91 -2.35 114.58 116.88 1y77 h GLU 54 Ca 0.00 -0.01 -0.56 0.00 -1.00 0.00 0.00 59.36 57.79 1y77 h GLU 54 Cb 0.00 -0.05 -0.40 0.00 0.50 0.00 0.00 28.75 28.80 1y77 h GLU 54 CO 0.00 0.15 -0.98 2.41 -1.00 0.00 0.00 179.01 179.59 1y77 n THR 55 N -4.42 0.29 -2.77 1.13 -1.04 -1.26 -3.36 114.28 102.85 1y77 n THR 55 Ca 0.18 -4.46 -0.33 0.00 -2.04 0.00 0.00 64.05 57.40 1y77 n THR 55 Cb 0.79 -1.71 -0.06 0.00 -1.82 0.00 0.00 70.33 67.53 1y77 n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y77 s ALA 56 N -1.79 3.03 0.00 2.41 0.00 -0.88 -4.67 121.76 119.86 1y77 s ALA 56 Ca 0.38 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1y77 s ALA 56 Cb 0.20 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1y77 s ALA 56 CO -0.08 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.16 1y77 n GLY 57 N -0.68 0.00 2.48 0.00 0.00 -1.26 -4.93 105.19 100.80 1y77 n GLY 57 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 1y77 n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1y77 n VAL 58 N 1.84 0.89 -1.25 1.61 0.31 -1.26 -5.09 118.33 115.39 1y77 n VAL 58 Ca 0.00 -4.19 -0.38 0.00 -0.01 0.00 0.00 64.34 59.77 1y77 n VAL 58 Cb 0.00 -0.16 0.03 0.00 -0.91 0.00 0.00 33.84 32.80 1y77 n VAL 58 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1y77 n VAL 59 N 0.02 0.82 0.04 2.52 0.31 -1.26 -4.76 118.33 116.02 1y77 n VAL 59 Ca 0.21 -0.47 0.01 0.00 -0.01 0.00 0.00 64.34 64.08 1y77 n VAL 59 Cb 0.69 -0.30 0.04 0.00 -0.91 0.00 0.00 33.84 33.35 1y77 n VAL 59 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1y77 n GLN 60 N 0.81 0.01 0.02 5.55 -0.06 -1.26 -1.01 117.38 121.44 1y77 n GLN 60 Ca 0.08 0.49 0.12 0.00 -2.00 0.00 0.00 57.00 55.69 1y77 n GLN 60 Cb 0.49 -1.52 0.32 0.00 -4.06 0.00 0.00 30.24 25.47 1y77 n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1y77 n ASP 61 N -1.53 0.45 0.00 1.69 8.00 -1.26 -4.23 116.55 119.67 1y77 n ASP 61 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1y77 n ASP 61 Cb 0.01 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1y77 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y77 n ILE 62 N -1.65 0.00 -0.04 0.53 3.06 -0.18 0.60 119.36 121.69 1y77 n ILE 62 Ca 0.05 0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.32 1y77 n ILE 62 Cb 0.36 -0.72 -0.13 0.00 0.54 0.00 0.00 39.64 39.70 1y77 n ILE 62 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1y77 n GLY 63 N -0.58 -0.77 0.04 4.50 0.00 -1.26 -4.37 105.19 102.75 1y77 n GLY 63 Ca 0.00 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.82 1y77 n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y77 n SER 64 N -2.29 0.20 -4.58 1.61 3.41 0.20 -4.77 113.62 107.41 1y77 n SER 64 Ca -0.12 -0.10 -0.43 0.00 -0.26 0.00 0.00 58.87 57.96 1y77 n SER 64 Cb 0.67 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 1y77 n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1y77 s ASP 65 N -2.72 6.53 0.25 4.04 -1.08 -1.24 -4.92 116.67 117.54 1y77 s ASP 65 Ca 0.22 0.23 -0.05 0.00 -0.52 0.00 0.00 52.55 52.44 1y77 s ASP 65 Cb 0.19 -2.53 0.32 0.00 -1.46 0.00 0.00 42.92 39.45 1y77 s ASP 65 CO 0.51 -1.30 1.91 1.55 0.52 0.00 0.00 175.17 178.36 1y77 h PRO 66 N 9.32 1.24 0.00 4.34 0.13 -1.95 -3.04 132.00 142.03 1y77 h PRO 66 Ca -0.24 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1y77 h PRO 66 Cb 1.06 -0.28 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1y77 h PRO 66 CO 1.13 0.82 0.29 1.79 -0.23 0.00 0.00 178.00 181.80 1y77 h THR 67 N 1.27 0.00 -3.48 1.56 1.35 -1.99 -3.43 112.91 108.19 1y77 h THR 67 Ca 0.39 0.00 -0.49 0.00 -0.55 0.00 0.00 66.41 65.76 1y77 h THR 67 Cb -0.02 0.44 0.02 0.00 -1.73 0.00 0.00 68.15 66.86 1y77 h THR 67 CO -0.12 0.00 0.05 -0.76 -0.25 0.00 0.00 175.52 174.44 1y77 s LEU 68 N -4.73 3.78 0.28 3.87 1.43 -1.15 -5.09 118.68 117.06 1y77 s LEU 68 Ca -0.02 0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 53.86 1y77 s LEU 68 Cb 0.06 -3.81 -0.08 0.00 0.03 0.00 0.00 46.19 42.38 1y77 s LEU 68 CO 0.18 -0.45 0.65 -2.16 0.23 0.00 0.00 176.35 174.80 1y77 s PRO 69 N -4.30 3.92 0.03 1.29 0.04 -1.26 -5.04 135.00 129.68 1y77 s PRO 69 Ca 0.47 0.49 0.04 0.00 0.04 0.00 0.00 61.00 62.05 1y77 s PRO 69 Cb -0.10 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 1y77 s PRO 69 CO 0.38 0.24 -0.07 1.03 0.04 0.00 0.00 177.00 178.63 1y77 s ARG 70 N -2.86 2.46 0.14 4.56 1.81 -1.26 -3.34 118.95 120.45 1y77 s ARG 70 Ca 0.51 -0.80 0.04 0.00 -1.72 0.00 0.00 55.73 53.76 1y77 s ARG 70 Cb -0.11 -2.46 -0.04 0.00 -0.45 0.00 0.00 34.95 31.89 1y77 s ARG 70 CO 0.19 0.58 -0.10 -1.54 -0.68 0.00 0.00 175.30 173.74 1y77 s SER 71 N -1.68 1.73 -0.33 0.23 1.04 -1.00 -5.00 113.70 108.70 1y77 s SER 71 Ca 0.19 -0.97 0.08 0.00 0.48 0.00 0.00 55.95 55.74 1y77 s SER 71 Cb -0.11 -0.01 0.59 0.00 0.10 0.00 0.00 66.02 66.59 1y77 s SER 71 CO 0.10 -0.31 1.65 -0.90 0.98 0.00 0.00 173.24 174.76 1y77 n ASP 72 N -0.02 3.35 -2.91 7.02 5.75 -1.26 -3.31 116.55 125.17 1y77 n ASP 72 Ca -0.12 -3.57 0.00 0.00 -0.01 0.00 0.00 54.79 51.09 1y77 n ASP 72 Cb 0.60 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1y77 n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1y77 n ARG 73 N -0.93 0.81 -3.77 0.11 1.74 -1.26 -4.90 116.66 108.45 1y77 n ARG 73 Ca 0.41 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.37 1y77 n ARG 73 Cb 1.27 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 32.58 1y77 n ARG 73 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1y77 s GLU 74 N -0.49 0.17 1.09 5.56 -1.05 -1.25 -4.00 118.70 118.73 1y77 s GLU 74 Ca 0.00 0.34 -0.12 0.00 -0.15 0.00 0.00 54.97 55.04 1y77 s GLU 74 Cb 0.00 -0.03 0.24 0.00 -0.44 0.00 0.00 34.13 33.90 1y77 s GLU 74 CO 0.00 -0.10 1.05 0.00 0.95 0.00 0.00 175.26 177.17 1y77 h PRO 76 N -2.35 0.00 0.00 0.00 0.11 -1.99 -3.36 132.00 124.41 1y77 h PRO 76 Ca -0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.53 1y77 h PRO 76 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1y77 h PRO 76 CO 0.51 0.17 0.00 1.63 -0.21 0.00 0.00 178.00 180.10 1y77 n LYS 77 N -3.38 0.00 0.10 1.05 5.02 -1.26 -4.84 118.16 114.84 1y77 n LYS 77 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1y77 n LYS 77 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 1y77 n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y77 n HIS 79 N -1.44 0.00 -0.75 0.00 8.25 -1.26 -4.89 115.22 115.13 1y77 n HIS 79 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1y77 n HIS 79 Cb 0.65 -0.57 0.27 0.00 1.12 0.00 0.00 29.99 31.46 1y77 n HIS 79 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1y77 s SER 80 N -0.11 -0.14 -0.33 0.41 0.01 -1.26 -4.59 113.70 107.70 1y77 s SER 80 Ca 0.00 0.68 0.15 0.00 1.31 0.00 0.00 55.95 58.09 1y77 s SER 80 Cb 0.00 -0.94 0.46 0.00 0.21 0.00 0.00 66.02 65.76 1y77 s SER 80 CO 0.00 -4.78 1.06 0.54 0.41 0.00 0.00 173.24 170.47 1y77 n ARG 81 N -5.21 2.13 -3.56 12.44 1.74 -1.26 -3.84 116.66 119.10 1y77 n ARG 81 Ca 0.14 -3.71 -0.29 0.00 -0.77 0.00 0.00 57.85 53.21 1y77 n ARG 81 Cb 0.60 -1.70 -0.14 0.00 -1.02 0.00 0.00 32.46 30.20 1y77 n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1y77 s GLU 82 N -3.46 0.39 0.13 5.56 2.02 -1.26 -4.68 118.70 117.41 1y77 s GLU 82 Ca 0.35 -0.85 0.10 0.00 0.02 0.00 0.00 54.97 54.59 1y77 s GLU 82 Cb 0.40 -1.37 -0.04 0.00 0.10 0.00 0.00 34.13 33.23 1y77 s GLU 82 CO -0.03 -1.06 -0.23 -0.80 0.02 0.00 0.00 175.26 173.16 1y77 s ASN 83 N 1.73 2.96 -0.33 -0.19 0.01 -1.21 -2.73 114.94 115.19 1y77 s ASN 83 Ca 0.11 -0.75 -0.02 0.00 -0.71 0.00 0.00 52.86 51.49 1y77 s ASN 83 Cb -0.18 -0.19 0.12 0.00 0.41 0.00 0.00 41.25 41.41 1y77 s ASN 83 CO -0.25 0.10 0.16 0.54 -1.51 0.00 0.00 177.10 176.13 1y77 s VAL 84 N -1.30 0.30 0.57 1.60 0.11 -1.25 -2.37 120.40 118.06 1y77 s VAL 84 Ca 0.12 -1.33 -0.01 0.00 -2.93 0.00 0.00 61.98 57.83 1y77 s VAL 84 Cb -0.09 -1.24 0.03 0.00 -1.53 0.00 0.00 36.38 33.55 1y77 s VAL 84 CO 0.06 -0.82 0.82 0.72 -3.33 0.00 0.00 175.10 172.55 1y77 s PHE 85 N 1.53 2.92 0.00 1.54 -0.00 -1.21 -4.09 117.98 118.67 1y77 s PHE 85 Ca 0.13 0.12 0.00 0.00 -0.00 0.00 0.00 56.93 57.18 1y77 s PHE 85 Cb -0.19 -2.80 0.00 0.00 -0.00 0.00 0.00 43.02 40.03 1y77 s PHE 85 CO -0.20 -0.93 0.00 1.97 -0.00 0.00 0.00 175.22 176.07 1y77 n PHE 86 N -2.44 -0.70 -4.51 3.49 1.16 -1.24 -4.39 117.46 108.83 1y77 n PHE 86 Ca 0.07 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.41 1y77 n PHE 86 Cb 0.60 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.36 1y77 n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1y77 s GLN 87 N -1.34 1.73 -0.42 3.97 -0.21 -1.26 -3.13 119.66 119.00 1y77 s GLN 87 Ca 0.00 -1.90 -0.44 0.00 0.02 0.00 0.00 55.36 53.05 1y77 s GLN 87 Cb 0.00 -1.49 -0.18 0.00 1.00 0.00 0.00 33.01 32.34 1y77 s GLN 87 CO 0.00 0.09 1.75 0.45 -2.12 0.00 0.00 175.29 175.46 1y77 n SER 88 N -0.73 1.59 -0.34 5.90 2.88 -1.26 -4.75 113.62 116.90 1y77 n SER 88 Ca -0.05 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1y77 n SER 88 Cb 0.64 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1y77 n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y77 n GLN 89 N 5.16 0.75 -3.03 -1.46 1.13 -1.21 -4.51 117.38 114.21 1y77 n GLN 89 Ca 0.33 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.95 1y77 n GLN 89 Cb 0.02 -1.26 -0.04 0.00 0.11 0.00 0.00 30.24 29.07 1y77 n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1y77 s GLN 90 N -1.32 3.19 -0.71 -1.09 0.74 -1.26 -4.92 119.66 114.29 1y77 s GLN 90 Ca 0.00 -1.36 -0.08 0.00 0.05 0.00 0.00 55.36 53.97 1y77 s GLN 90 Cb 0.00 -4.38 -0.07 0.00 1.10 0.00 0.00 33.01 29.67 1y77 s GLN 90 CO 0.00 -1.63 1.88 0.54 -0.55 0.00 0.00 175.29 175.53 1y77 n ARG 91 N 6.54 1.59 -4.26 1.67 5.12 -1.26 -4.83 116.66 121.23 1y77 n ARG 91 Ca -0.01 -1.34 -0.27 0.00 -1.93 0.00 0.00 57.85 54.30 1y77 n ARG 91 Cb 0.45 -2.45 -0.09 0.00 -1.16 0.00 0.00 32.46 29.21 1y77 n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1y77 s ARG 92 N 4.01 2.15 0.01 5.56 3.52 -1.26 -5.06 118.95 127.88 1y77 s ARG 92 Ca 0.36 -1.19 -0.18 0.00 -0.13 0.00 0.00 55.73 54.60 1y77 s ARG 92 Cb 0.09 -2.23 -0.10 0.00 -1.56 0.00 0.00 34.95 31.16 1y77 s ARG 92 CO 0.01 0.45 1.01 0.87 -0.81 0.00 0.00 175.30 176.83 1y77 h LYS 93 N 2.99 -0.61 0.00 5.12 1.57 -2.04 -3.24 116.57 120.36 1y77 h LYS 93 Ca -0.47 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1y77 h LYS 93 Cb 1.20 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1y77 h LYS 93 CO 0.55 -0.41 0.01 -0.40 -0.57 0.00 0.00 179.45 178.63 1y77 n ASP 94 N -4.14 0.00 -4.50 0.86 5.75 -1.26 -4.83 116.55 108.43 1y77 n ASP 94 Ca -0.08 0.20 -0.34 0.00 -0.01 0.00 0.00 54.79 54.56 1y77 n ASP 94 Cb 0.25 -0.20 0.10 0.00 -1.03 0.00 0.00 41.12 40.24 1y77 n ASP 94 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1y77 n THR 95 N -1.19 1.22 -3.20 2.12 -1.04 -1.23 -5.01 114.28 105.96 1y77 n THR 95 Ca 0.00 -0.28 -0.24 0.00 -2.04 0.00 0.00 64.05 61.49 1y77 n THR 95 Cb 0.01 -0.80 -0.00 0.00 -1.82 0.00 0.00 70.33 67.71 1y77 n THR 95 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1y77 s SER 96 N -1.81 6.15 -0.74 8.00 1.04 -1.26 -5.04 113.70 120.04 1y77 s SER 96 Ca 0.64 0.43 -0.01 0.00 0.48 0.00 0.00 55.95 57.50 1y77 s SER 96 Cb -0.29 -1.89 0.38 0.00 0.10 0.00 0.00 66.02 64.32 1y77 s SER 96 CO 0.60 -0.44 1.86 0.23 0.98 0.00 0.00 173.24 176.47 1y77 n MET 97 N -1.91 2.87 -3.30 4.02 2.81 -1.26 -4.70 117.12 115.65 1y77 n MET 97 Ca -0.02 -3.66 -0.23 0.00 -1.81 0.00 0.00 57.70 51.98 1y77 n MET 97 Cb 0.57 -2.27 -0.01 0.00 -0.71 0.00 0.00 33.22 30.80 1y77 n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1y77 s VAL 98 N -5.10 4.75 0.12 2.03 1.01 -1.26 -5.09 120.40 116.87 1y77 s VAL 98 Ca 0.53 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1y77 s VAL 98 Cb 0.44 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1y77 s VAL 98 CO -0.31 -0.47 0.10 -0.76 0.00 0.00 0.00 175.10 173.66 1y77 s LEU 99 N -4.36 3.78 -0.31 3.92 1.43 -1.26 -4.43 118.68 117.45 1y77 s LEU 99 Ca 0.42 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 1y77 s LEU 99 Cb -0.10 -2.43 0.09 0.00 0.03 0.00 0.00 46.19 43.79 1y77 s LEU 99 CO 0.36 0.12 0.04 -0.36 0.23 0.00 0.00 176.35 176.74 1y77 s PHE 100 N -1.56 2.80 0.32 0.29 0.40 -1.18 -3.05 117.98 116.00 1y77 s PHE 100 Ca 0.30 -2.32 -0.03 0.00 -0.60 0.00 0.00 56.93 54.27 1y77 s PHE 100 Cb -0.11 -2.24 0.07 0.00 0.51 0.00 0.00 43.02 41.25 1y77 s PHE 100 CO 0.22 -0.89 0.44 1.19 0.70 0.00 0.00 175.22 176.88 1y77 n PHE 101 N 4.54 -3.65 -3.68 0.36 3.01 -0.50 -3.63 117.46 113.90 1y77 n PHE 101 Ca -0.02 -0.53 -0.12 0.00 1.01 0.00 0.00 57.45 57.79 1y77 n PHE 101 Cb 0.42 -0.33 -0.09 0.00 -0.01 0.00 0.00 39.48 39.48 1y77 n PHE 101 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1y77 s VAL 102 N -1.58 -0.00 -0.07 -4.37 1.01 -1.26 -3.85 120.40 110.28 1y77 s VAL 102 Ca 0.26 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1y77 s VAL 102 Cb -0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 1y77 s VAL 102 CO 0.18 0.00 1.06 0.00 0.00 0.00 0.00 175.10 176.34 1y77 h LEU 104 N 7.82 0.00 -4.23 0.00 3.38 -1.90 -2.13 115.31 118.24 1y77 h LEU 104 Ca -0.34 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.96 1y77 h LEU 104 Cb 1.16 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.60 1y77 h LEU 104 CO 0.84 0.69 0.57 -1.20 0.09 0.00 0.00 178.44 179.43 1y77 n SER 105 N -3.21 7.07 0.00 -0.43 7.64 -1.26 -4.65 113.62 118.77 1y77 n SER 105 Ca -0.01 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.08 1y77 n SER 105 Cb 0.83 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1y77 n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y77 n SER 107 N 0.00 -2.79 -4.94 0.00 7.64 -0.80 -4.98 113.62 107.75 1y77 n SER 107 Ca 0.00 -0.10 -0.21 0.00 1.01 0.00 0.00 58.87 59.57 1y77 n SER 107 Cb 0.00 -1.38 -0.02 0.00 -1.01 0.00 0.00 64.21 61.79 1y77 n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1y77 s HIS 108 N -3.00 3.35 -0.53 1.43 5.65 -1.26 -4.85 115.29 116.08 1y77 s HIS 108 Ca 0.11 -0.05 0.03 0.00 0.25 0.00 0.00 55.06 55.39 1y77 s HIS 108 Cb -0.05 -1.56 0.13 0.00 -1.18 0.00 0.00 32.58 29.93 1y77 s HIS 108 CO 0.13 0.43 0.28 0.42 -0.65 0.00 0.00 174.74 175.35 1y77 s ILE 109 N -2.03 2.72 -0.05 0.89 1.01 -1.26 -2.83 121.20 119.66 1y77 s ILE 109 Ca 0.34 -3.29 -0.03 0.00 0.00 0.00 0.00 60.65 57.68 1y77 s ILE 109 Cb -0.09 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1y77 s ILE 109 CO 0.28 -0.81 0.11 0.72 0.00 0.00 0.00 174.94 175.24 1y77 s PHE 110 N -0.28 3.41 0.45 3.97 -0.12 -1.25 -4.89 117.98 119.27 1y77 s PHE 110 Ca 0.17 0.32 0.07 0.00 -0.05 0.00 0.00 56.93 57.44 1y77 s PHE 110 Cb -0.25 -1.82 0.02 0.00 -0.63 0.00 0.00 43.02 40.34 1y77 s PHE 110 CO -0.00 0.61 0.62 0.99 -0.05 0.00 0.00 175.22 177.38 1y77 s THR 111 N -1.14 2.89 -0.30 -4.49 2.01 -1.26 -1.42 115.64 111.93 1y77 s THR 111 Ca 0.21 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.34 1y77 s THR 111 Cb -0.12 -2.94 0.50 0.00 0.01 0.00 0.00 72.50 69.96 1y77 s THR 111 CO 0.11 0.00 1.46 -1.54 -0.69 0.00 0.00 174.62 173.96 1y77 n SER 112 N -1.95 2.54 -4.76 3.53 3.41 -1.17 -4.98 113.62 110.24 1y77 n SER 112 Ca 0.09 -3.81 -0.40 0.00 -0.26 0.00 0.00 58.87 54.49 1y77 n SER 112 Cb 0.59 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.87 1y77 n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1y77 s ASP 113 N -2.59 7.15 -0.22 4.04 -1.08 -1.26 -4.87 116.67 117.84 1y77 s ASP 113 Ca 0.45 2.26 0.18 0.00 -0.52 0.00 0.00 52.55 54.92 1y77 s ASP 113 Cb 0.41 -2.62 0.48 0.00 -1.46 0.00 0.00 42.92 39.72 1y77 s ASP 113 CO -0.01 -0.23 1.15 0.00 0.52 0.00 0.00 175.17 176.61 1y77 n GLN 114 N 0.97 1.93 0.00 4.34 6.02 -1.26 -4.87 117.38 124.51 1y77 n GLN 114 Ca -0.00 -3.42 0.00 0.00 -0.01 0.00 0.00 57.00 53.57 1y77 n GLN 114 Cb 0.45 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.19 1y77 n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1y77 n LYS 115 N -0.50 0.00 -1.70 -1.09 5.02 -1.26 -5.13 118.16 113.50 1y77 n LYS 115 Ca 0.17 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.23 1y77 n LYS 115 Cb 0.89 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 36.06 1y77 n LYS 115 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1y77 n ASN 116 N -2.33 0.28 -3.73 4.39 3.02 -1.26 -5.11 115.26 110.52 1y77 n ASN 116 Ca 0.00 -1.50 -0.12 0.00 -0.03 0.00 0.00 54.58 52.92 1y77 n ASN 116 Cb 0.00 -0.78 -0.13 0.00 -0.61 0.00 0.00 39.78 38.26 1y77 n ASN 116 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1y77 s LYS 117 N -5.26 0.23 0.01 3.52 1.02 -1.26 -4.90 119.74 113.10 1y77 s LYS 117 Ca 0.61 0.52 0.05 0.00 0.02 0.00 0.00 55.97 57.17 1y77 s LYS 117 Cb -0.02 -0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.19 1y77 s LYS 117 CO 0.42 -0.15 -0.16 1.03 -0.92 0.00 0.00 175.35 175.57 1y77 s ARG 118 N 1.13 1.24 -0.01 1.68 0.52 -1.26 -4.99 118.95 117.27 1y77 s ARG 118 Ca -0.08 -0.68 0.07 0.00 -0.52 0.00 0.00 55.73 54.52 1y77 s ARG 118 Cb -0.09 -1.24 -0.11 0.00 0.52 0.00 0.00 34.95 34.03 1y77 s ARG 118 CO -0.08 0.33 0.16 2.41 0.02 0.00 0.00 175.30 178.14 1y77 n THR 119 N 2.38 0.00 1.38 0.02 -1.04 -1.26 -4.91 114.28 110.85 1y77 n THR 119 Ca -0.16 -0.17 0.14 0.00 -2.04 0.00 0.00 64.05 61.82 1y77 n THR 119 Cb 0.54 0.36 0.42 0.00 -1.82 0.00 0.00 70.33 69.83 1y77 n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43