#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ys4 s SER 2 N 0.00 6.97 0.10 1.61 0.15 -1.26 -4.96 113.70 116.30 2ys4 s SER 2 Ca 0.00 1.18 -0.23 0.00 0.70 0.00 0.00 55.95 57.60 2ys4 s SER 2 Cb 0.00 -2.45 -0.13 0.00 -1.71 0.00 0.00 66.02 61.73 2ys4 s SER 2 CO 0.00 -0.34 1.73 0.28 1.20 0.00 0.00 173.24 176.11 2ys4 h SER 3 N 7.22 -0.06 -3.67 5.45 0.02 -2.11 -3.48 113.55 116.92 2ys4 h SER 3 Ca -0.32 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2ys4 h SER 3 Cb 1.15 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2ys4 h SER 3 CO 0.82 -0.03 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 2ys4 n GLY 4 N -1.12 4.48 3.43 -3.77 0.00 -1.26 -5.17 105.19 101.78 2ys4 n GLY 4 Ca -0.06 -1.29 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 2ys4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ys4 s SER 5 N 0.00 2.23 -0.21 1.61 0.01 -1.26 -5.14 113.70 110.94 2ys4 s SER 5 Ca 0.00 -1.36 0.02 0.00 1.31 0.00 0.00 55.95 55.91 2ys4 s SER 5 Cb 0.00 -0.06 0.04 0.00 0.21 0.00 0.00 66.02 66.21 2ys4 s SER 5 CO 0.00 -0.61 -0.15 -0.44 0.41 0.00 0.00 173.24 172.45 2ys4 s SER 6 N -3.46 3.59 0.00 2.44 0.01 -1.26 -4.91 113.70 110.11 2ys4 s SER 6 Ca 0.36 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2ys4 s SER 6 Cb 0.08 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.86 2ys4 s SER 6 CO 0.15 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2ys4 n GLY 7 N 4.57 1.31 3.50 3.44 0.00 -1.26 -5.06 105.19 111.70 2ys4 n GLY 7 Ca -0.17 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 2ys4 n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ys4 s THR 8 N 0.00 3.73 -0.23 2.61 -4.23 -1.26 -5.09 115.64 111.17 2ys4 s THR 8 Ca 0.00 -0.43 -0.04 0.00 -1.18 0.00 0.00 61.69 60.04 2ys4 s THR 8 Cb 0.00 -2.60 0.08 0.00 1.34 0.00 0.00 72.50 71.32 2ys4 s THR 8 CO 0.00 0.52 0.09 -0.70 -0.54 0.00 0.00 174.62 174.00 2ys4 s GLU 9 N 0.09 0.30 -0.14 3.99 2.12 -1.26 -4.97 118.70 118.83 2ys4 s GLU 9 Ca -0.02 -0.41 -0.09 0.00 0.36 0.00 0.00 54.97 54.82 2ys4 s GLU 9 Cb -0.14 -1.68 0.05 0.00 0.26 0.00 0.00 34.13 32.62 2ys4 s GLU 9 CO 0.03 -0.82 0.34 -0.98 -0.54 0.00 0.00 175.26 173.30 2ys4 s ARG 10 N 2.01 0.34 -0.07 4.30 1.70 -1.26 -5.15 118.95 120.82 2ys4 s ARG 10 Ca 0.05 0.62 0.03 0.00 -0.47 0.00 0.00 55.73 55.96 2ys4 s ARG 10 Cb -0.16 0.02 0.01 0.00 -0.57 0.00 0.00 34.95 34.24 2ys4 s ARG 10 CO -0.20 -0.13 -0.16 -1.83 -1.08 0.00 0.00 175.30 171.90 2ys4 s GLU 11 N 0.99 2.08 -0.12 3.89 -1.05 -1.26 -5.12 118.70 118.10 2ys4 s GLU 11 Ca -0.07 -0.58 -0.21 0.00 -0.15 0.00 0.00 54.97 53.97 2ys4 s GLU 11 Cb -0.07 -1.67 -0.03 0.00 -0.44 0.00 0.00 34.13 31.91 2ys4 s GLU 11 CO -0.08 0.11 0.61 0.15 0.95 0.00 0.00 175.26 177.01 2ys4 s LYS 12 N 0.45 4.33 -0.16 -4.83 3.01 -1.26 -5.06 119.74 116.22 2ys4 s LYS 12 Ca -0.14 0.66 0.01 0.00 -1.01 0.00 0.00 55.97 55.50 2ys4 s LYS 12 Cb -0.16 -3.49 0.01 0.00 -1.01 0.00 0.00 37.83 33.19 2ys4 s LYS 12 CO 0.05 -0.01 -0.20 0.12 0.51 0.00 0.00 175.35 175.82 2ys4 s PHE 13 N 1.11 2.74 0.01 3.18 2.19 -1.26 -5.10 117.98 120.85 2ys4 s PHE 13 Ca 0.31 -1.50 -0.30 0.00 0.33 0.00 0.00 56.93 55.77 2ys4 s PHE 13 Cb -0.16 -1.88 -0.06 0.00 -1.31 0.00 0.00 43.02 39.60 2ys4 s PHE 13 CO 0.13 -0.72 1.47 0.42 1.83 0.00 0.00 175.22 178.36 2ys4 s ILE 14 N 1.10 3.57 0.09 3.12 -1.09 -1.26 -5.01 121.20 121.71 2ys4 s ILE 14 Ca 0.00 0.94 0.01 0.00 -2.23 0.00 0.00 60.65 59.37 2ys4 s ILE 14 Cb -0.14 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 2ys4 s ILE 14 CO -0.08 -0.01 0.23 0.68 -1.23 0.00 0.00 174.94 174.52 2ys4 s VAL 15 N 2.63 5.33 0.62 2.92 -7.23 -1.26 -5.09 120.40 118.31 2ys4 s VAL 15 Ca 0.67 -0.50 -0.16 0.00 -1.81 0.00 0.00 61.98 60.17 2ys4 s VAL 15 Cb -0.33 -3.65 -0.02 0.00 0.56 0.00 0.00 36.38 32.94 2ys4 s VAL 15 CO 0.28 0.06 1.12 -2.16 -0.31 0.00 0.00 175.10 174.09 2ys4 s PRO 16 N -2.74 2.99 0.13 4.82 0.04 -1.26 -5.01 135.00 133.97 2ys4 s PRO 16 Ca 0.35 1.47 -0.29 0.00 0.04 0.00 0.00 61.00 62.57 2ys4 s PRO 16 Cb -0.12 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 2ys4 s PRO 16 CO 0.28 -1.12 0.91 0.42 0.04 0.00 0.00 177.00 177.54 2ys4 s ILE 17 N -2.14 4.44 -1.65 0.56 1.09 -1.26 -3.77 121.20 118.47 2ys4 s ILE 17 Ca 0.69 1.98 -0.16 0.00 -1.10 0.00 0.00 60.65 62.07 2ys4 s ILE 17 Cb -0.22 -4.28 0.13 0.00 -1.06 0.00 0.00 42.46 37.03 2ys4 s ILE 17 CO 0.37 0.38 0.77 0.29 -0.10 0.00 0.00 174.94 176.65 2ys4 n LYS 18 N 2.44 -3.54 -0.03 2.79 5.02 -1.26 -4.82 118.16 118.77 2ys4 n LYS 18 Ca 0.00 0.41 0.01 0.00 -2.02 0.00 0.00 58.31 56.71 2ys4 n LYS 18 Cb 0.49 -5.09 0.03 0.00 -0.02 0.00 0.00 35.03 30.44 2ys4 n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ys4 n ALA 19 N -4.43 2.21 -3.69 7.82 0.00 -1.25 -4.98 120.51 116.20 2ys4 n ALA 19 Ca 0.02 -0.84 -0.12 0.00 0.00 0.00 0.00 53.44 52.50 2ys4 n ALA 19 Cb 0.52 -0.10 -0.13 0.00 0.00 0.00 0.00 19.45 19.75 2ys4 n ALA 19 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ys4 s ARG 20 N -0.70 0.21 0.00 0.00 1.81 -1.26 -4.99 118.95 114.01 2ys4 s ARG 20 Ca 0.05 0.70 0.00 0.00 -1.72 0.00 0.00 55.73 54.75 2ys4 s ARG 20 Cb 0.03 -0.03 0.00 0.00 -0.45 0.00 0.00 34.95 34.49 2ys4 s ARG 20 CO 0.04 -0.23 0.00 0.41 -0.68 0.00 0.00 175.30 174.84 2ys4 n GLY 21 N 4.85 0.00 0.40 -3.53 0.00 -1.26 -4.91 105.19 100.74 2ys4 n GLY 21 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2ys4 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ys4 n ALA 22 N -0.03 2.41 -1.92 4.61 0.00 -1.26 -4.61 120.51 119.71 2ys4 n ALA 22 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2ys4 n ALA 22 Cb 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 2ys4 n ALA 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2ys4 s ARG 23 N -1.20 4.17 0.01 0.00 3.52 -1.26 -4.47 118.95 119.72 2ys4 s ARG 23 Ca 0.00 0.99 -0.06 0.00 -0.13 0.00 0.00 55.73 56.52 2ys4 s ARG 23 Cb 0.00 -2.27 -0.05 0.00 -1.56 0.00 0.00 34.95 31.07 2ys4 s ARG 23 CO 0.00 0.04 0.27 0.00 -0.81 0.00 0.00 175.30 174.80 2ys4 s ALA 24 N -2.10 3.85 -0.01 6.12 0.00 -1.26 -3.48 121.76 124.87 2ys4 s ALA 24 Ca 0.59 -0.58 -0.03 0.00 0.00 0.00 0.00 51.96 51.95 2ys4 s ALA 24 Cb -0.10 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.96 2ys4 s ALA 24 CO 0.15 0.65 0.06 0.42 0.00 0.00 0.00 175.76 177.04 2ys4 s ILE 25 N -1.31 0.03 0.46 0.00 1.01 -1.26 -4.92 121.20 115.21 2ys4 s ILE 25 Ca 0.28 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.71 2ys4 s ILE 25 Cb -0.13 -0.19 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 2ys4 s ILE 25 CO 0.16 -0.15 0.21 -0.76 0.00 0.00 0.00 174.94 174.40 2ys4 s LEU 26 N -0.46 2.91 -0.34 2.97 2.01 -1.26 -0.94 118.68 123.56 2ys4 s LEU 26 Ca -0.05 -1.20 0.01 0.00 0.01 0.00 0.00 54.13 52.90 2ys4 s LEU 26 Cb -0.03 -1.29 0.09 0.00 0.01 0.00 0.00 46.19 44.97 2ys4 s LEU 26 CO 0.00 -0.71 0.06 -0.62 1.01 0.00 0.00 176.35 176.09 2ys4 s ASP 27 N -3.98 4.86 -0.00 2.29 2.15 -1.10 -4.79 116.67 116.10 2ys4 s ASP 27 Ca 0.35 -1.89 0.07 0.00 0.43 0.00 0.00 52.55 51.51 2ys4 s ASP 27 Cb 0.02 -1.68 -0.02 0.00 -0.30 0.00 0.00 42.92 40.94 2ys4 s ASP 27 CO 0.19 -0.38 -0.23 -0.36 -0.17 0.00 0.00 175.17 174.22 2ys4 s PHE 28 N 1.04 2.08 0.63 -5.34 0.40 -1.26 -4.42 117.98 111.11 2ys4 s PHE 28 Ca 0.05 -0.39 -0.16 0.00 -0.60 0.00 0.00 56.93 55.83 2ys4 s PHE 28 Cb -0.20 -1.31 -0.02 0.00 0.51 0.00 0.00 43.02 42.00 2ys4 s PHE 28 CO -0.06 0.00 1.12 -1.25 0.70 0.00 0.00 175.22 175.73 2ys4 s PRO 29 N -0.72 2.95 0.27 0.24 0.04 -1.26 -4.94 135.00 131.58 2ys4 s PRO 29 Ca 0.09 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 62.58 2ys4 s PRO 29 Cb -0.09 -1.97 0.54 0.00 0.04 0.00 0.00 34.50 33.02 2ys4 s PRO 29 CO -0.00 -1.14 1.79 -0.44 0.04 0.00 0.00 177.00 177.25 2ys4 h ASP 30 N 0.35 0.71 -5.06 6.66 3.32 -1.96 -3.45 116.42 116.98 2ys4 h ASP 30 Ca -0.48 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 2ys4 h ASP 30 Cb 1.25 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 40.64 2ys4 h ASP 30 CO 0.55 0.34 0.07 -1.59 -1.72 0.00 0.00 179.24 176.89 2ys4 s LYS 31 N -5.96 1.36 -0.31 3.56 -2.85 -1.26 -2.99 119.74 111.29 2ys4 s LYS 31 Ca -0.12 -0.77 -0.11 0.00 -1.00 0.00 0.00 55.97 53.97 2ys4 s LYS 31 Cb 0.22 0.54 -0.03 0.00 -2.06 0.00 0.00 37.83 36.50 2ys4 s LYS 31 CO 0.79 -0.58 0.19 -1.17 0.10 0.00 0.00 175.35 174.69 2ys4 s LEU 32 N -2.84 4.19 -0.43 2.77 1.98 -0.03 -4.95 118.68 119.37 2ys4 s LEU 32 Ca 0.07 -0.27 -0.18 0.00 -2.89 0.00 0.00 54.13 50.85 2ys4 s LEU 32 Cb -0.01 -2.09 0.03 0.00 0.66 0.00 0.00 46.19 44.77 2ys4 s LEU 32 CO -0.05 -0.15 0.49 0.21 -1.89 0.00 0.00 176.35 174.96 2ys4 s ASN 33 N 1.71 6.22 -0.39 3.68 3.84 -1.26 -2.20 114.94 126.53 2ys4 s ASN 33 Ca 0.06 -0.65 -0.14 0.00 0.21 0.00 0.00 52.86 52.34 2ys4 s ASN 33 Cb -0.17 -2.25 0.02 0.00 -0.55 0.00 0.00 41.25 38.31 2ys4 s ASN 33 CO 0.09 -0.65 0.27 -0.36 -2.79 0.00 0.00 177.10 173.67 2ys4 s PHE 34 N 2.29 3.24 1.09 0.43 0.08 -1.26 -5.01 117.98 118.85 2ys4 s PHE 34 Ca 0.14 -0.64 -0.16 0.00 0.12 0.00 0.00 56.93 56.39 2ys4 s PHE 34 Cb -0.17 -2.54 0.19 0.00 -0.57 0.00 0.00 43.02 39.93 2ys4 s PHE 34 CO 0.14 -0.58 0.36 -1.13 -0.10 0.00 0.00 175.22 173.91 2ys4 n SER 35 N 5.12 -3.07 -4.50 1.36 3.41 -1.26 -3.74 113.62 110.93 2ys4 n SER 35 Ca -0.11 -0.42 -0.47 0.00 -0.26 0.00 0.00 58.87 57.61 2ys4 n SER 35 Cb 0.47 -0.83 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 2ys4 n SER 35 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2ys4 n THR 36 N -4.62 0.19 -4.41 6.66 -1.04 -1.26 -4.46 114.28 105.34 2ys4 n THR 36 Ca 0.06 -0.36 -0.26 0.00 -2.04 0.00 0.00 64.05 61.45 2ys4 n THR 36 Cb 0.43 -1.97 -0.11 0.00 -1.82 0.00 0.00 70.33 66.86 2ys4 n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ys4 s PRO 38 N -2.89 3.97 -0.01 0.00 0.04 -1.26 -1.22 135.00 133.63 2ys4 s PRO 38 Ca 0.23 1.86 -0.23 0.00 0.04 0.00 0.00 61.00 62.91 2ys4 s PRO 38 Cb -0.07 -2.62 -0.13 0.00 0.04 0.00 0.00 34.50 31.72 2ys4 s PRO 38 CO 0.12 -0.40 0.98 -0.24 0.04 0.00 0.00 177.00 177.50 2ys4 h VAL 39 N 2.22 0.23 0.58 -0.36 3.04 -1.63 -3.37 116.25 116.97 2ys4 h VAL 39 Ca -0.49 -0.52 -0.03 0.00 -1.01 0.00 0.00 66.70 64.65 2ys4 h VAL 39 Cb 1.24 0.35 0.01 0.00 -2.01 0.00 0.00 31.29 30.87 2ys4 h VAL 39 CO 0.62 0.04 -0.28 0.11 -1.01 0.00 0.00 177.57 177.05 2ys4 h LYS 40 N -1.08 -0.76 -6.75 4.17 6.56 -1.83 -3.29 116.57 113.60 2ys4 h LYS 40 Ca -0.07 0.05 -0.54 0.00 -1.06 0.00 0.00 60.65 59.04 2ys4 h LYS 40 Cb 0.57 0.17 0.21 0.00 -0.57 0.00 0.00 32.23 32.61 2ys4 h LYS 40 CO 0.11 -0.50 -0.53 0.66 -2.06 0.00 0.00 179.45 177.12 2ys4 n TYR 41 N -4.38 -1.30 -3.30 -1.35 4.01 -1.26 -4.73 117.16 104.83 2ys4 n TYR 41 Ca -0.10 0.26 -0.28 0.00 -0.16 0.00 0.00 57.90 57.62 2ys4 n TYR 41 Cb 0.31 -1.82 -0.03 0.00 -0.31 0.00 0.00 39.34 37.49 2ys4 n TYR 41 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2ys4 s SER 42 N -1.87 6.43 0.07 7.72 1.04 -1.26 -4.50 113.70 121.33 2ys4 s SER 42 Ca 0.59 0.72 0.09 0.00 0.48 0.00 0.00 55.95 57.83 2ys4 s SER 42 Cb -0.24 -2.15 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 2ys4 s SER 42 CO 0.65 -0.22 -0.22 -0.89 0.98 0.00 0.00 173.24 173.54 2ys4 s THR 43 N -2.12 2.49 0.02 2.02 2.01 -0.53 -4.92 115.64 114.60 2ys4 s THR 43 Ca 0.44 -1.40 -0.05 0.00 0.31 0.00 0.00 61.69 61.00 2ys4 s THR 43 Cb -0.11 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 2ys4 s THR 43 CO 0.31 0.27 0.08 -1.10 -0.69 0.00 0.00 174.62 173.48 2ys4 s GLN 44 N -1.58 0.45 0.06 4.92 1.11 -1.26 -1.03 119.66 122.33 2ys4 s GLN 44 Ca 0.14 -0.54 -0.21 0.00 0.01 0.00 0.00 55.36 54.76 2ys4 s GLN 44 Cb -0.10 0.18 0.05 0.00 -1.01 0.00 0.00 33.01 32.12 2ys4 s GLN 44 CO 0.05 -0.10 0.49 0.21 0.01 0.00 0.00 175.29 175.95 2ys4 s LYS 45 N -1.67 1.03 -0.08 2.91 2.20 -1.01 -5.01 119.74 118.11 2ys4 s LYS 45 Ca -0.13 -0.33 -0.04 0.00 -0.36 0.00 0.00 55.97 55.11 2ys4 s LYS 45 Cb -0.07 0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 36.68 2ys4 s LYS 45 CO -0.00 -0.38 0.09 0.42 -0.36 0.00 0.00 175.35 175.12 2ys4 s ILE 46 N -2.68 5.02 -0.24 5.43 -1.09 -1.26 -1.73 121.20 124.65 2ys4 s ILE 46 Ca -0.04 -0.07 -0.00 0.00 -2.23 0.00 0.00 60.65 58.30 2ys4 s ILE 46 Cb -0.00 -3.20 0.07 0.00 -1.58 0.00 0.00 42.46 37.74 2ys4 s ILE 46 CO -0.04 0.53 -0.00 -0.22 -1.23 0.00 0.00 174.94 173.98 2ys4 s LEU 47 N -1.22 2.26 -0.11 2.97 2.96 -0.67 -4.92 118.68 119.95 2ys4 s LEU 47 Ca 0.17 -1.19 -0.30 0.00 -0.22 0.00 0.00 54.13 52.59 2ys4 s LEU 47 Cb -0.12 -1.00 -0.02 0.00 0.50 0.00 0.00 46.19 45.55 2ys4 s LEU 47 CO 0.07 -0.29 1.24 -0.22 -1.32 0.00 0.00 176.35 175.83 2ys4 s LEU 48 N 1.53 4.23 -0.11 -0.68 1.98 -1.26 -1.50 118.68 122.86 2ys4 s LEU 48 Ca -0.02 1.76 0.02 0.00 -2.89 0.00 0.00 54.13 53.01 2ys4 s LEU 48 Cb -0.18 -3.55 -0.01 0.00 0.66 0.00 0.00 46.19 43.12 2ys4 s LEU 48 CO -0.09 -0.68 -0.20 -0.69 -1.89 0.00 0.00 176.35 172.80 2ys4 s VAL 49 N 2.88 2.42 -0.08 1.68 1.01 0.87 -4.96 120.40 124.23 2ys4 s VAL 49 Ca 0.55 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.69 2ys4 s VAL 49 Cb -0.23 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.18 2ys4 s VAL 49 CO 0.18 0.55 -0.23 -0.60 0.00 0.00 0.00 175.10 174.99 2ys4 s ARG 50 N 0.36 2.69 -0.33 2.72 3.00 -1.26 -0.32 118.95 125.80 2ys4 s ARG 50 Ca -0.16 -0.85 -0.29 0.00 -1.00 0.00 0.00 55.73 53.43 2ys4 s ARG 50 Cb -0.17 -2.15 0.01 0.00 0.00 0.00 0.00 34.95 32.64 2ys4 s ARG 50 CO 0.08 0.26 1.23 1.21 0.00 0.00 0.00 175.30 178.08 2ys4 s ASN 51 N 0.12 6.71 -0.11 -2.12 3.84 -1.20 -2.70 114.94 119.48 2ys4 s ASN 51 Ca -0.11 1.06 0.18 0.00 0.21 0.00 0.00 52.86 54.20 2ys4 s ASN 51 Cb -0.16 -2.54 0.69 0.00 -0.55 0.00 0.00 41.25 38.69 2ys4 s ASN 51 CO 0.06 -1.07 1.60 2.30 -2.79 0.00 0.00 177.10 177.20 2ys4 n ILE 52 N 6.25 1.82 -1.59 -5.21 -5.35 -0.12 -3.57 119.36 111.58 2ys4 n ILE 52 Ca 0.14 -1.23 0.00 0.00 -0.27 0.00 0.00 62.75 61.39 2ys4 n ILE 52 Cb 0.47 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 2ys4 n ILE 52 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ys4 n GLY 53 N 1.00 0.32 0.10 3.28 0.00 -1.09 -4.74 105.19 104.05 2ys4 n GLY 53 Ca 0.25 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 2ys4 n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ys4 n ASN 54 N -2.04 2.14 -4.83 1.61 2.04 -1.23 -4.78 115.26 108.17 2ys4 n ASN 54 Ca 0.00 -0.09 -0.30 0.00 -0.44 0.00 0.00 54.58 53.76 2ys4 n ASN 54 Cb 0.00 -0.06 -0.04 0.00 -2.53 0.00 0.00 39.78 37.15 2ys4 n ASN 54 CO 0.00 0.00 0.00 -0.75 -0.44 0.00 0.00 177.26 176.07 2ys4 s LYS 55 N -2.40 2.23 0.15 -3.83 2.20 -1.26 -4.82 119.74 112.00 2ys4 s LYS 55 Ca -0.23 -2.20 -0.34 0.00 -0.36 0.00 0.00 55.97 52.84 2ys4 s LYS 55 Cb 0.07 -1.82 -0.15 0.00 -1.51 0.00 0.00 37.83 34.42 2ys4 s LYS 55 CO 0.51 -0.48 1.44 -1.71 -0.36 0.00 0.00 175.35 174.75 2ys4 n ASN 56 N -1.50 2.47 -4.85 1.43 5.15 -1.26 -4.54 115.26 112.15 2ys4 n ASN 56 Ca -0.10 1.11 -0.37 0.00 -0.60 0.00 0.00 54.58 54.62 2ys4 n ASN 56 Cb 0.66 -1.34 -0.07 0.00 -0.53 0.00 0.00 39.78 38.50 2ys4 n ASN 56 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ys4 s ALA 57 N 0.53 3.79 -0.26 5.20 0.00 -0.23 -4.71 121.76 126.09 2ys4 s ALA 57 Ca 0.78 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2ys4 s ALA 57 Cb -0.77 -1.91 0.07 0.00 0.00 0.00 0.00 23.12 20.51 2ys4 s ALA 57 CO 0.44 0.60 0.01 0.08 0.00 0.00 0.00 175.76 176.89 2ys4 s VAL 58 N -0.97 1.26 0.06 0.00 1.01 -1.26 -1.98 120.40 118.53 2ys4 s VAL 58 Ca 0.15 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 60.93 2ys4 s VAL 58 Cb -0.12 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2ys4 s VAL 58 CO 0.04 -0.32 -0.14 0.72 0.00 0.00 0.00 175.10 175.40 2ys4 s PHE 59 N 1.48 2.65 -0.22 5.22 -0.71 -1.15 -2.27 117.98 122.98 2ys4 s PHE 59 Ca 0.01 -0.20 -0.04 0.00 -1.04 0.00 0.00 56.93 55.66 2ys4 s PHE 59 Cb -0.18 -1.46 0.07 0.00 -1.21 0.00 0.00 43.02 40.24 2ys4 s PHE 59 CO -0.11 0.33 0.09 -1.58 -1.34 0.00 0.00 175.22 172.61 2ys4 s HIS 60 N -1.04 0.55 0.22 3.49 2.46 0.48 -2.56 115.29 118.90 2ys4 s HIS 60 Ca 0.17 -0.72 -0.16 0.00 0.47 0.00 0.00 55.06 54.82 2ys4 s HIS 60 Cb -0.11 -0.91 -0.08 0.00 -0.13 0.00 0.00 32.58 31.35 2ys4 s HIS 60 CO 0.08 -0.65 0.66 0.42 -2.47 0.00 0.00 174.74 172.78 2ys4 s ILE 61 N 2.02 4.70 -0.04 0.89 1.01 0.24 -0.17 121.20 129.85 2ys4 s ILE 61 Ca 0.04 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.72 2ys4 s ILE 61 Cb -0.16 -3.76 0.03 0.00 0.01 0.00 0.00 42.46 38.58 2ys4 s ILE 61 CO -0.18 0.12 -0.01 -0.54 0.00 0.00 0.00 174.94 174.33 2ys4 s LYS 62 N -2.24 0.43 0.31 2.79 -0.14 -0.68 -4.61 119.74 115.59 2ys4 s LYS 62 Ca 0.44 0.04 -0.19 0.00 -1.36 0.00 0.00 55.97 54.90 2ys4 s LYS 62 Cb -0.14 -0.59 0.03 0.00 -1.68 0.00 0.00 37.83 35.44 2ys4 s LYS 62 CO 0.20 -0.14 0.73 -0.08 -0.76 0.00 0.00 175.35 175.30 2ys4 s THR 63 N 1.08 0.00 0.05 2.17 -1.32 -1.26 -3.55 115.64 112.82 2ys4 s THR 63 Ca -0.09 -1.01 0.01 0.00 -1.21 0.00 0.00 61.69 59.39 2ys4 s THR 63 Cb -0.14 -2.22 -0.03 0.00 -1.51 0.00 0.00 72.50 68.60 2ys4 s THR 63 CO -0.02 0.00 -0.05 0.00 -2.21 0.00 0.00 174.62 172.34 2ys4 n ARG 65 N 0.83 0.00 0.00 0.00 1.85 -1.26 -1.22 116.66 116.85 2ys4 n ARG 65 Ca -0.19 0.05 0.08 0.00 -1.00 0.00 0.00 57.85 56.79 2ys4 n ARG 65 Cb 0.58 -1.86 0.46 0.00 -1.05 0.00 0.00 32.46 30.58 2ys4 n ARG 65 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2ys4 n PRO 66 N -1.28 0.46 -3.40 2.89 -0.04 -1.26 -4.98 135.00 127.39 2ys4 n PRO 66 Ca 0.08 0.01 -0.39 0.00 -0.04 0.00 0.00 63.50 63.17 2ys4 n PRO 66 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 2ys4 n PRO 66 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2ys4 s PHE 67 N -2.05 3.30 0.05 0.54 0.08 -0.36 -2.58 117.98 116.96 2ys4 s PHE 67 Ca 0.23 0.48 -0.23 0.00 0.12 0.00 0.00 56.93 57.53 2ys4 s PHE 67 Cb 0.11 -2.54 0.05 0.00 -0.57 0.00 0.00 43.02 40.07 2ys4 s PHE 67 CO 0.19 -0.13 0.53 -1.12 -0.10 0.00 0.00 175.22 174.58 2ys4 s SER 68 N 1.37 -0.45 0.13 1.36 0.01 0.06 -2.05 113.70 114.13 2ys4 s SER 68 Ca 0.16 0.18 -0.07 0.00 1.31 0.00 0.00 55.95 57.54 2ys4 s SER 68 Cb -0.15 0.50 -0.01 0.00 0.21 0.00 0.00 66.02 66.56 2ys4 s SER 68 CO 0.09 -0.72 0.19 0.27 0.41 0.00 0.00 173.24 173.48 2ys4 s ILE 69 N -2.45 0.11 -0.24 1.44 -0.00 -1.26 0.10 121.20 118.90 2ys4 s ILE 69 Ca -0.05 -1.45 -0.23 0.00 -0.00 0.00 0.00 60.65 58.92 2ys4 s ILE 69 Cb -0.01 -1.71 0.06 0.00 -0.00 0.00 0.00 42.46 40.81 2ys4 s ILE 69 CO -0.02 -0.48 0.64 -0.70 -0.00 0.00 0.00 174.94 174.39 2ys4 s GLU 70 N -3.95 0.76 0.48 0.37 2.12 -0.90 -3.88 118.70 113.70 2ys4 s GLU 70 Ca 0.14 0.88 -0.22 0.00 0.36 0.00 0.00 54.97 56.13 2ys4 s GLU 70 Cb 0.05 0.37 -0.07 0.00 0.26 0.00 0.00 34.13 34.74 2ys4 s GLU 70 CO -0.04 -0.09 1.15 -1.25 -0.54 0.00 0.00 175.26 174.49 2ys4 s PRO 71 N 0.30 3.64 0.45 4.30 0.04 -1.26 -2.73 135.00 139.74 2ys4 s PRO 71 Ca -0.00 1.72 0.20 0.00 0.04 0.00 0.00 61.00 62.96 2ys4 s PRO 71 Cb -0.04 -2.29 1.07 0.00 0.04 0.00 0.00 34.50 33.28 2ys4 s PRO 71 CO 0.01 -0.64 1.94 0.00 0.04 0.00 0.00 177.00 178.36 2ys4 h ALA 72 N 1.79 1.33 -3.00 8.56 0.00 -1.87 -3.44 119.26 122.63 2ys4 h ALA 72 Ca -0.50 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.04 2ys4 h ALA 72 Cb 1.25 -0.04 -0.23 0.00 0.00 0.00 0.00 17.79 18.77 2ys4 h ALA 72 CO 0.59 0.29 -0.51 -1.50 0.00 0.00 0.00 179.25 178.12 2ys4 s ILE 73 N -4.17 0.05 0.38 0.00 2.07 -1.26 -0.59 121.20 117.67 2ys4 s ILE 73 Ca -0.02 -0.40 -0.16 0.00 -1.41 0.00 0.00 60.65 58.66 2ys4 s ILE 73 Cb 0.13 -0.35 0.06 0.00 0.13 0.00 0.00 42.46 42.44 2ys4 s ILE 73 CO 0.65 -0.22 0.82 -0.83 -1.91 0.00 0.00 174.94 173.46 2ys4 s GLY 74 N -0.75 0.39 -0.06 1.50 0.00 -1.06 -5.04 107.32 102.29 2ys4 s GLY 74 Ca -0.08 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 43.89 2ys4 s GLY 74 CO 0.01 -0.03 -0.06 -0.51 0.00 0.00 0.00 173.10 172.51 2ys4 s THR 75 N -2.14 0.70 -0.03 0.90 -4.23 -1.26 -2.95 115.64 106.63 2ys4 s THR 75 Ca 0.17 -0.18 0.07 0.00 -1.18 0.00 0.00 61.69 60.56 2ys4 s THR 75 Cb -0.05 -0.72 -0.02 0.00 1.34 0.00 0.00 72.50 73.06 2ys4 s THR 75 CO 0.11 0.27 -0.25 -0.22 -0.54 0.00 0.00 174.62 174.00 2ys4 s LEU 76 N 1.10 2.05 0.34 4.79 2.96 -0.84 -4.99 118.68 124.10 2ys4 s LEU 76 Ca -0.08 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.41 2ys4 s LEU 76 Cb -0.14 -1.32 -0.01 0.00 0.50 0.00 0.00 46.19 45.22 2ys4 s LEU 76 CO -0.01 0.29 0.49 0.54 -1.32 0.00 0.00 176.35 176.34 2ys4 s ASN 77 N -0.46 6.01 0.59 3.68 2.20 -1.26 -1.06 114.94 124.64 2ys4 s ASN 77 Ca 0.06 -0.04 -0.19 0.00 -0.94 0.00 0.00 52.86 51.75 2ys4 s ASN 77 Cb -0.11 -1.41 -0.03 0.00 -2.00 0.00 0.00 41.25 37.70 2ys4 s ASN 77 CO 0.00 -0.42 1.19 0.68 -2.94 0.00 0.00 177.10 175.61 2ys4 s VAL 78 N -2.22 2.74 0.00 3.54 -7.23 -1.26 -3.00 120.40 112.96 2ys4 s VAL 78 Ca 0.44 0.45 0.00 0.00 -1.81 0.00 0.00 61.98 61.05 2ys4 s VAL 78 Cb -0.10 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.69 2ys4 s VAL 78 CO 0.32 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 2ys4 n GLY 79 N 0.39 1.34 3.96 2.32 0.00 -1.23 -4.94 105.19 107.02 2ys4 n GLY 79 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 2ys4 n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ys4 s GLU 80 N 0.00 2.49 0.22 1.61 0.41 -1.16 -4.97 118.70 117.30 2ys4 s GLU 80 Ca 0.00 -0.60 -0.00 0.00 -0.41 0.00 0.00 54.97 53.96 2ys4 s GLU 80 Cb 0.00 -2.40 -0.04 0.00 -1.78 0.00 0.00 34.13 29.92 2ys4 s GLU 80 CO 0.00 -0.83 0.17 -1.12 -0.49 0.00 0.00 175.26 172.99 2ys4 s SER 81 N -4.43 0.40 0.32 -0.19 0.01 -1.26 -3.23 113.70 105.32 2ys4 s SER 81 Ca 0.57 -1.44 -0.04 0.00 1.31 0.00 0.00 55.95 56.35 2ys4 s SER 81 Cb -0.10 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2ys4 s SER 81 CO 0.40 -0.89 0.47 0.00 0.41 0.00 0.00 173.24 173.63 2ys4 s MET 82 N -4.03 1.83 0.06 12.44 0.23 0.56 -4.98 119.30 125.41 2ys4 s MET 82 Ca 0.39 -1.67 0.06 0.00 -1.03 0.00 0.00 55.69 53.44 2ys4 s MET 82 Cb 0.06 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.78 2ys4 s MET 82 CO 0.15 -0.76 -0.17 -0.65 -2.03 0.00 0.00 175.02 171.56 2ys4 s GLN 83 N -3.23 1.04 -0.13 3.16 -0.21 -1.26 -0.09 119.66 118.95 2ys4 s GLN 83 Ca 0.29 -0.91 0.01 0.00 0.02 0.00 0.00 55.36 54.77 2ys4 s GLN 83 Cb -0.00 -1.12 0.02 0.00 1.00 0.00 0.00 33.01 32.91 2ys4 s GLN 83 CO 0.18 0.27 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.98 2ys4 s LEU 84 N -1.40 1.59 -0.61 2.90 1.43 -0.56 -4.88 118.68 117.15 2ys4 s LEU 84 Ca 0.03 -0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 52.48 2ys4 s LEU 84 Cb -0.09 -1.07 0.06 0.00 0.03 0.00 0.00 46.19 45.12 2ys4 s LEU 84 CO 0.02 -0.05 0.89 -1.61 0.23 0.00 0.00 176.35 175.84 2ys4 s GLU 85 N 1.36 3.16 -0.17 1.70 2.02 -1.11 -1.66 118.70 124.00 2ys4 s GLU 85 Ca 0.01 -0.75 -0.20 0.00 0.02 0.00 0.00 54.97 54.05 2ys4 s GLU 85 Cb -0.13 -4.17 -0.03 0.00 0.10 0.00 0.00 34.13 29.89 2ys4 s GLU 85 CO -0.07 -1.64 0.58 0.08 0.02 0.00 0.00 175.26 174.23 2ys4 s VAL 86 N 3.74 5.08 -0.11 2.63 1.01 -0.71 -2.13 120.40 129.91 2ys4 s VAL 86 Ca 0.22 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 63.30 2ys4 s VAL 86 Cb -0.17 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2ys4 s VAL 86 CO 0.12 0.18 -0.04 -0.70 0.00 0.00 0.00 175.10 174.67 2ys4 s GLU 87 N 1.48 3.22 -0.25 2.72 2.12 0.28 -2.42 118.70 125.85 2ys4 s GLU 87 Ca 0.28 -0.50 -0.02 0.00 0.36 0.00 0.00 54.97 55.08 2ys4 s GLU 87 Cb -0.16 -2.78 0.14 0.00 0.26 0.00 0.00 34.13 31.59 2ys4 s GLU 87 CO 0.11 0.48 0.41 0.12 -0.54 0.00 0.00 175.26 175.84 2ys4 s PHE 88 N -0.29 -0.94 -0.32 5.30 5.36 -0.20 -0.76 117.98 126.13 2ys4 s PHE 88 Ca 0.05 0.95 0.03 0.00 -0.96 0.00 0.00 56.93 57.00 2ys4 s PHE 88 Cb -0.13 0.09 0.09 0.00 -0.34 0.00 0.00 43.02 42.74 2ys4 s PHE 88 CO 0.02 -0.75 0.02 -2.00 -1.46 0.00 0.00 175.22 171.06 2ys4 s GLU 89 N 2.59 1.57 1.02 10.12 2.12 -1.06 -1.46 118.70 133.59 2ys4 s GLU 89 Ca 0.14 -1.72 -0.13 0.00 0.36 0.00 0.00 54.97 53.63 2ys4 s GLU 89 Cb -0.15 -3.06 0.20 0.00 0.26 0.00 0.00 34.13 31.37 2ys4 s GLU 89 CO -0.17 -0.87 1.09 -1.25 -0.54 0.00 0.00 175.26 173.53 2ys4 s PRO 90 N 0.99 0.25 -0.02 4.30 0.04 -1.24 -4.74 135.00 134.58 2ys4 s PRO 90 Ca 0.07 0.46 0.01 0.00 0.04 0.00 0.00 61.00 61.58 2ys4 s PRO 90 Cb -0.19 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2ys4 s PRO 90 CO -0.08 -2.84 -0.02 1.04 0.04 0.00 0.00 177.00 175.14 2ys4 n GLN 91 N -4.24 0.80 -4.17 4.56 1.13 -1.26 -4.24 117.38 109.96 2ys4 n GLN 91 Ca 0.05 0.01 -0.34 0.00 -1.94 0.00 0.00 57.00 54.78 2ys4 n GLN 91 Cb 0.57 -1.05 -0.12 0.00 0.11 0.00 0.00 30.24 29.75 2ys4 n GLN 91 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2ys4 s SER 92 N -4.05 4.93 0.20 1.08 0.01 -1.26 -4.68 113.70 109.94 2ys4 s SER 92 Ca -0.03 -0.14 -0.32 0.00 1.31 0.00 0.00 55.95 56.77 2ys4 s SER 92 Cb 0.01 -1.83 -0.13 0.00 0.21 0.00 0.00 66.02 64.27 2ys4 s SER 92 CO 0.06 0.11 1.50 0.55 0.41 0.00 0.00 173.24 175.88 2ys4 n VAL 93 N 3.92 0.49 -0.25 3.43 3.14 -1.26 -4.83 118.33 122.97 2ys4 n VAL 93 Ca -0.17 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 2ys4 n VAL 93 Cb 0.52 -1.54 0.00 0.00 -1.06 0.00 0.00 33.84 31.76 2ys4 n VAL 93 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ys4 n GLY 94 N 2.77 0.43 3.73 7.55 0.00 -1.21 -4.96 105.19 113.50 2ys4 n GLY 94 Ca 0.14 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 2ys4 n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ys4 s ASP 95 N -1.43 7.46 -0.26 1.61 2.15 -1.26 -0.41 116.67 124.53 2ys4 s ASP 95 Ca 0.00 1.75 -0.00 0.00 0.43 0.00 0.00 52.55 54.73 2ys4 s ASP 95 Cb 0.00 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 40.12 2ys4 s ASP 95 CO 0.00 -0.06 0.02 -1.00 -0.17 0.00 0.00 175.17 173.96 2ys4 s HIS 96 N 0.03 1.99 -0.18 -5.34 3.76 -1.26 -4.96 115.29 109.33 2ys4 s HIS 96 Ca 0.46 -1.66 -0.05 0.00 -0.15 0.00 0.00 55.06 53.66 2ys4 s HIS 96 Cb -0.23 -1.62 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 2ys4 s HIS 96 CO 0.29 -0.79 0.01 -1.54 -0.85 0.00 0.00 174.74 171.86 2ys4 s SER 97 N 1.52 5.07 0.00 1.40 1.04 -1.26 -3.55 113.70 117.92 2ys4 s SER 97 Ca 0.02 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2ys4 s SER 97 Cb -0.18 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.08 2ys4 s SER 97 CO -0.13 0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2ys4 n GLY 98 N 3.83 5.33 3.55 7.32 0.00 -1.12 -4.89 105.19 119.21 2ys4 n GLY 98 Ca -0.17 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 2ys4 n GLY 98 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ys4 s ARG 99 N 3.68 0.76 -0.12 1.61 3.52 -1.26 -2.07 118.95 125.07 2ys4 s ARG 99 Ca 0.00 0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.69 2ys4 s ARG 99 Cb 0.00 0.36 -0.01 0.00 -1.56 0.00 0.00 34.95 33.73 2ys4 s ARG 99 CO 0.00 -0.26 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.56 2ys4 s LEU 100 N -1.40 2.55 -0.49 -0.88 1.43 -1.09 -4.92 118.68 113.88 2ys4 s LEU 100 Ca -0.03 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 2ys4 s LEU 100 Cb -0.00 -1.56 0.10 0.00 0.03 0.00 0.00 46.19 44.76 2ys4 s LEU 100 CO 0.01 0.17 0.41 -0.63 0.23 0.00 0.00 176.35 176.54 2ys4 s ILE 101 N 0.31 4.92 -0.27 -0.59 -1.09 -1.23 -3.47 121.20 119.79 2ys4 s ILE 101 Ca -0.12 -1.39 -0.14 0.00 -2.23 0.00 0.00 60.65 56.76 2ys4 s ILE 101 Cb -0.16 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 2ys4 s ILE 101 CO 0.06 -0.71 0.34 -0.69 -1.23 0.00 0.00 174.94 172.71 2ys4 s VAL 102 N 1.55 5.20 -0.21 2.92 1.01 -1.17 -1.69 120.40 128.01 2ys4 s VAL 102 Ca 0.04 0.51 -0.06 0.00 0.00 0.00 0.00 61.98 62.47 2ys4 s VAL 102 Cb -0.27 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2ys4 s VAL 102 CO 0.03 0.18 0.03 0.00 0.00 0.00 0.00 175.10 175.35 2ys4 s TYR 104 N 1.03 3.39 0.34 0.00 1.51 -0.89 -0.39 117.35 122.35 2ys4 s TYR 104 Ca 0.03 0.27 0.04 0.00 -1.01 0.00 0.00 57.07 56.40 2ys4 s TYR 104 Cb -0.14 -2.01 0.67 0.00 -0.11 0.00 0.00 41.96 40.36 2ys4 s TYR 104 CO 0.02 -0.01 1.96 0.22 -1.11 0.00 0.00 175.55 176.63 2ys4 h ASP 105 N 0.67 0.74 -0.03 2.29 3.58 -1.82 -2.66 116.42 119.20 2ys4 h ASP 105 Ca -0.49 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.95 2ys4 h ASP 105 Cb 1.23 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.12 2ys4 h ASP 105 CO 0.60 0.49 -0.02 0.71 -2.88 0.00 0.00 179.24 178.13 2ys4 h THR 106 N 0.85 1.37 0.00 2.25 1.35 -1.94 -3.47 112.91 113.31 2ys4 h THR 106 Ca 0.32 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 2ys4 h THR 106 Cb 0.17 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2ys4 h THR 106 CO -0.10 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 2ys4 n GLY 107 N 0.18 0.18 3.85 5.82 0.00 -1.00 -5.16 105.19 109.05 2ys4 n GLY 107 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 2ys4 n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ys4 s GLU 108 N 0.00 3.12 -0.06 1.61 2.02 -1.26 -4.90 118.70 119.23 2ys4 s GLU 108 Ca 0.00 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 54.37 2ys4 s GLU 108 Cb 0.00 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.41 2ys4 s GLU 108 CO 0.00 0.55 -0.13 0.15 0.02 0.00 0.00 175.26 175.85 2ys4 s LYS 109 N -2.72 1.75 0.00 1.61 1.02 -1.25 -2.09 119.74 118.06 2ys4 s LYS 109 Ca 0.32 -0.46 0.05 0.00 0.02 0.00 0.00 55.97 55.90 2ys4 s LYS 109 Cb -0.12 -1.45 -0.03 0.00 -0.52 0.00 0.00 37.83 35.71 2ys4 s LYS 109 CO 0.25 0.07 -0.14 0.14 -0.92 0.00 0.00 175.35 174.74 2ys4 s VAL 110 N 0.53 3.05 -0.27 3.17 -7.23 -1.04 -4.94 120.40 113.67 2ys4 s VAL 110 Ca -0.13 -0.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.12 2ys4 s VAL 110 Cb -0.15 -2.26 0.06 0.00 0.56 0.00 0.00 36.38 34.59 2ys4 s VAL 110 CO 0.04 0.44 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.82 2ys4 s PHE 111 N -0.87 3.28 -0.34 2.82 0.08 -1.26 -3.04 117.98 118.66 2ys4 s PHE 111 Ca 0.14 -2.27 -0.00 0.00 0.12 0.00 0.00 56.93 54.91 2ys4 s PHE 111 Cb -0.11 -1.99 0.08 0.00 -0.57 0.00 0.00 43.02 40.43 2ys4 s PHE 111 CO 0.04 -0.87 0.06 0.08 -0.10 0.00 0.00 175.22 174.43 2ys4 s VAL 112 N 1.12 2.84 0.26 -0.44 1.01 -1.23 -4.93 120.40 119.03 2ys4 s VAL 112 Ca -0.08 -1.83 -0.30 0.00 0.00 0.00 0.00 61.98 59.77 2ys4 s VAL 112 Cb -0.20 -2.83 -0.14 0.00 0.00 0.00 0.00 36.38 33.21 2ys4 s VAL 112 CO -0.04 -0.39 1.26 -1.20 0.00 0.00 0.00 175.10 174.73 2ys4 n SER 113 N 4.51 2.24 -4.86 3.32 7.64 -1.16 -2.68 113.62 122.62 2ys4 n SER 113 Ca -0.06 1.16 -0.23 0.00 1.01 0.00 0.00 58.87 60.75 2ys4 n SER 113 Cb 0.42 -1.38 -0.04 0.00 -1.01 0.00 0.00 64.21 62.20 2ys4 n SER 113 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2ys4 s LEU 114 N 0.01 3.96 0.22 -3.43 1.43 -0.88 -0.85 118.68 119.14 2ys4 s LEU 114 Ca 0.64 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.51 2ys4 s LEU 114 Cb -0.67 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.02 2ys4 s LEU 114 CO 0.55 -0.01 0.40 -0.31 0.23 0.00 0.00 176.35 177.21 2ys4 s TYR 115 N -1.99 0.39 0.00 0.29 2.02 -0.94 -2.81 117.35 114.32 2ys4 s TYR 115 Ca 0.33 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 2ys4 s TYR 115 Cb -0.09 0.08 0.00 0.00 -0.40 0.00 0.00 41.96 41.55 2ys4 s TYR 115 CO 0.26 -0.88 0.00 0.41 -1.57 0.00 0.00 175.55 173.77 2ys4 n GLY 116 N -0.32 -1.79 3.52 0.71 0.00 -1.23 -4.02 105.19 102.05 2ys4 n GLY 116 Ca -0.04 0.70 -0.40 0.00 0.00 0.00 0.00 46.02 46.27 2ys4 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ys4 n ALA 117 N 0.00 0.70 -1.56 4.61 0.00 -1.25 -4.18 120.51 118.83 2ys4 n ALA 117 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 53.44 52.58 2ys4 n ALA 117 Cb 0.00 -2.79 0.09 0.00 0.00 0.00 0.00 19.45 16.75 2ys4 n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ys4 s ALA 118 N 10.26 2.30 -0.04 0.00 0.00 0.46 -2.52 121.76 132.22 2ys4 s ALA 118 Ca 1.12 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.85 2ys4 s ALA 118 Cb -0.65 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.37 2ys4 s ALA 118 CO 0.38 -1.68 0.14 0.96 0.00 0.00 0.00 175.76 175.56 2ys4 s ILE 119 N -3.15 0.02 -0.04 0.00 -5.25 -0.36 -3.36 121.20 109.07 2ys4 s ILE 119 Ca 0.60 -0.20 -0.30 0.00 -0.99 0.00 0.00 60.65 59.77 2ys4 s ILE 119 Cb -0.14 -0.27 -0.04 0.00 2.95 0.00 0.00 42.46 44.95 2ys4 s ILE 119 CO 0.54 -0.11 1.35 -0.62 -1.79 0.00 0.00 174.94 174.32 2ys4 s ASP 120 N -0.33 6.90 -0.12 4.36 2.15 -1.26 -1.62 116.67 126.74 2ys4 s ASP 120 Ca -0.04 1.98 0.16 0.00 0.43 0.00 0.00 52.55 55.09 2ys4 s ASP 120 Cb -0.03 -2.55 0.69 0.00 -0.30 0.00 0.00 42.92 40.73 2ys4 s ASP 120 CO 0.01 -0.71 1.58 0.23 -0.17 0.00 0.00 175.17 176.11 2ys4 n MET 121 N 5.69 3.72 0.00 4.34 2.81 -1.26 -5.00 117.12 127.42 2ys4 n MET 121 Ca 0.13 -2.70 0.14 0.00 -1.81 0.00 0.00 57.70 53.45 2ys4 n MET 121 Cb 0.44 -1.92 0.44 0.00 -0.71 0.00 0.00 33.22 31.48 2ys4 n MET 121 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57