#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ys4 h SER 2 N 0.00 -0.01 -2.87 1.61 4.64 -2.15 -3.46 113.55 111.31 2ys4 h SER 2 Ca 0.00 -0.38 -0.55 0.00 -0.47 0.00 0.00 61.79 60.39 2ys4 h SER 2 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 2ys4 h SER 2 CO 0.00 0.37 -0.54 -0.94 -0.87 0.00 0.00 176.83 174.86 2ys4 s SER 3 N -5.57 2.83 0.00 4.97 1.04 -1.26 -5.16 113.70 110.55 2ys4 s SER 3 Ca -0.15 -1.60 0.00 0.00 0.48 0.00 0.00 55.95 54.67 2ys4 s SER 3 Cb 0.03 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2ys4 s SER 3 CO 0.67 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.65 2ys4 n GLY 4 N -0.90 3.23 3.40 7.32 0.00 -1.26 -5.19 105.19 111.80 2ys4 n GLY 4 Ca -0.06 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 1.00 -0.50 0.17 1.61 0.01 -1.26 -5.18 113.70 109.56 2ys4 s SER 5 Ca 0.00 -0.07 0.05 0.00 1.31 0.00 0.00 55.95 57.23 2ys4 s SER 5 Cb 0.00 0.58 -0.04 0.00 0.21 0.00 0.00 66.02 66.77 2ys4 s SER 5 CO 0.00 -0.95 0.16 -0.94 0.41 0.00 0.00 173.24 171.92 2ys4 s SER 6 N -2.76 5.64 0.00 2.44 1.04 -1.26 -5.12 113.70 113.67 2ys4 s SER 6 Ca 0.02 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2ys4 s SER 6 Cb -0.00 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.61 2ys4 s SER 6 CO -0.13 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2ys4 n GLY 7 N -0.47 -0.41 3.16 7.32 0.00 -1.26 -5.06 105.19 108.47 2ys4 n GLY 7 Ca -0.08 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 2ys4 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ys4 s THR 8 N 0.00 1.22 0.64 2.61 2.01 -1.26 -5.14 115.64 115.72 2ys4 s THR 8 Ca 0.00 -0.94 -0.14 0.00 0.31 0.00 0.00 61.69 60.92 2ys4 s THR 8 Cb 0.00 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 2ys4 s THR 8 CO 0.00 0.12 1.07 -1.61 -0.69 0.00 0.00 174.62 173.51 2ys4 s GLU 9 N -0.95 3.06 0.05 4.92 8.01 -1.26 -5.07 118.70 127.47 2ys4 s GLU 9 Ca 0.04 1.16 0.05 0.00 0.01 0.00 0.00 54.97 56.22 2ys4 s GLU 9 Cb -0.07 -2.00 -0.02 0.00 -4.31 0.00 0.00 34.13 27.72 2ys4 s GLU 9 CO 0.01 -1.01 -0.13 -0.98 0.01 0.00 0.00 175.26 173.15 2ys4 s ARG 10 N -4.41 0.83 1.22 1.61 1.70 -1.26 -5.15 118.95 113.50 2ys4 s ARG 10 Ca 0.62 -0.82 -0.18 0.00 -0.47 0.00 0.00 55.73 54.87 2ys4 s ARG 10 Cb -0.16 -0.82 0.29 0.00 -0.57 0.00 0.00 34.95 33.69 2ys4 s ARG 10 CO 0.44 0.19 1.06 -1.83 -1.08 0.00 0.00 175.30 174.08 2ys4 s GLU 11 N -1.40 -1.37 0.60 3.89 1.03 -1.26 -5.03 118.70 115.15 2ys4 s GLU 11 Ca -0.01 0.13 -0.07 0.00 0.03 0.00 0.00 54.97 55.05 2ys4 s GLU 11 Cb -0.09 -1.56 -0.00 0.00 -0.80 0.00 0.00 34.13 31.68 2ys4 s GLU 11 CO 0.02 -3.85 0.93 0.15 -1.33 0.00 0.00 175.26 171.17 2ys4 s LYS 12 N -5.19 3.06 0.76 -4.83 -0.14 -1.26 -5.08 119.74 107.06 2ys4 s LYS 12 Ca 0.69 0.17 -0.12 0.00 -1.36 0.00 0.00 55.97 55.36 2ys4 s LYS 12 Cb -0.13 -2.23 0.05 0.00 -1.68 0.00 0.00 37.83 33.84 2ys4 s LYS 12 CO 0.57 -0.68 1.14 -0.59 -0.76 0.00 0.00 175.35 175.04 2ys4 s PHE 13 N -3.04 3.11 0.08 3.18 -0.71 -1.26 -5.04 117.98 114.31 2ys4 s PHE 13 Ca 0.54 0.87 -0.26 0.00 -1.04 0.00 0.00 56.93 57.03 2ys4 s PHE 13 Cb -0.11 -3.30 -0.06 0.00 -1.21 0.00 0.00 43.02 38.34 2ys4 s PHE 13 CO 0.47 -1.51 0.82 0.42 -1.34 0.00 0.00 175.22 174.08 2ys4 s ILE 14 N -3.47 4.62 0.57 -4.49 1.09 -1.26 -5.02 121.20 113.23 2ys4 s ILE 14 Ca 0.60 1.76 -0.20 0.00 -1.10 0.00 0.00 60.65 61.72 2ys4 s ILE 14 Cb -0.11 -4.18 -0.06 0.00 -1.06 0.00 0.00 42.46 37.06 2ys4 s ILE 14 CO 0.50 0.37 0.99 1.33 -0.10 0.00 0.00 174.94 178.03 2ys4 n VAL 15 N 2.64 3.45 -2.06 2.92 0.24 -1.26 -4.95 118.33 119.31 2ys4 n VAL 15 Ca -0.02 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.34 61.44 2ys4 n VAL 15 Cb 0.50 -1.18 0.02 0.00 -1.47 0.00 0.00 33.84 31.71 2ys4 n VAL 15 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2ys4 s PRO 16 N -2.62 3.13 0.00 7.34 0.04 -1.26 -4.90 135.00 136.73 2ys4 s PRO 16 Ca 0.73 1.52 0.13 0.00 0.04 0.00 0.00 61.00 63.42 2ys4 s PRO 16 Cb -0.44 -1.98 0.64 0.00 0.04 0.00 0.00 34.50 32.75 2ys4 s PRO 16 CO 0.49 -1.01 1.31 -0.89 0.04 0.00 0.00 177.00 176.94 2ys4 n ILE 17 N -1.75 0.65 -0.77 0.56 2.08 -1.26 -1.63 119.36 117.24 2ys4 n ILE 17 Ca 0.11 0.16 0.08 0.00 0.56 0.00 0.00 62.75 63.66 2ys4 n ILE 17 Cb 0.51 -0.96 0.31 0.00 -0.75 0.00 0.00 39.64 38.75 2ys4 n ILE 17 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2ys4 n LYS 18 N -1.28 3.59 -3.99 0.38 4.76 -1.26 -4.89 118.16 115.47 2ys4 n LYS 18 Ca 0.06 -2.83 -0.34 0.00 -2.87 0.00 0.00 58.31 52.33 2ys4 n LYS 18 Cb 0.10 -1.88 -0.15 0.00 -1.84 0.00 0.00 35.03 31.26 2ys4 n LYS 18 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ys4 s ALA 19 N -2.33 2.64 -0.17 7.82 0.00 -0.65 -5.09 121.76 123.99 2ys4 s ALA 19 Ca 0.45 -1.50 -0.23 0.00 0.00 0.00 0.00 51.96 50.68 2ys4 s ALA 19 Cb 0.33 -1.62 0.06 0.00 0.00 0.00 0.00 23.12 21.88 2ys4 s ALA 19 CO 0.15 -0.84 0.60 -0.98 0.00 0.00 0.00 175.76 174.69 2ys4 s ARG 20 N 1.28 0.78 0.00 0.00 1.70 -1.26 -4.88 118.95 116.57 2ys4 s ARG 20 Ca -0.01 0.63 0.00 0.00 -0.47 0.00 0.00 55.73 55.88 2ys4 s ARG 20 Cb -0.17 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 2ys4 s ARG 20 CO -0.05 -0.15 0.00 0.41 -1.08 0.00 0.00 175.30 174.43 2ys4 n GLY 21 N 2.23 -2.28 3.71 3.88 0.00 -1.26 -5.12 105.19 106.35 2ys4 n GLY 21 Ca -0.16 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.21 2ys4 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ys4 s ALA 22 N -1.65 3.38 -0.70 4.61 0.00 -1.26 -4.93 121.76 121.20 2ys4 s ALA 22 Ca 0.00 0.08 0.14 0.00 0.00 0.00 0.00 51.96 52.17 2ys4 s ALA 22 Cb 0.00 -2.97 -0.14 0.00 0.00 0.00 0.00 23.12 20.01 2ys4 s ALA 22 CO 0.00 -0.19 0.61 0.54 0.00 0.00 0.00 175.76 176.72 2ys4 n ARG 23 N 4.02 2.35 -3.81 0.00 5.12 -1.26 -4.91 116.66 118.17 2ys4 n ARG 23 Ca -0.01 -0.05 -0.24 0.00 -1.93 0.00 0.00 57.85 55.62 2ys4 n ARG 23 Cb 0.51 -1.16 0.02 0.00 -1.16 0.00 0.00 32.46 30.66 2ys4 n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ys4 n ALA 24 N -1.26 -1.86 -0.70 7.54 0.00 -1.26 -4.92 120.51 118.06 2ys4 n ALA 24 Ca 0.03 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 2ys4 n ALA 24 Cb 0.22 -2.35 0.17 0.00 0.00 0.00 0.00 19.45 17.49 2ys4 n ALA 24 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2ys4 n ILE 25 N -4.38 0.10 -4.57 0.00 2.08 -1.26 -4.50 119.36 106.83 2ys4 n ILE 25 Ca -0.23 -0.02 -0.27 0.00 0.56 0.00 0.00 62.75 62.79 2ys4 n ILE 25 Cb 0.65 -0.99 -0.08 0.00 -0.75 0.00 0.00 39.64 38.46 2ys4 n ILE 25 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2ys4 s LEU 26 N -6.37 2.08 -0.34 1.39 2.01 -1.26 -1.53 118.68 114.64 2ys4 s LEU 26 Ca 0.67 -1.67 0.02 0.00 0.01 0.00 0.00 54.13 53.16 2ys4 s LEU 26 Cb -0.23 -0.26 0.09 0.00 0.01 0.00 0.00 46.19 45.80 2ys4 s LEU 26 CO 0.58 -0.91 0.06 -0.62 1.01 0.00 0.00 176.35 176.48 2ys4 s ASP 27 N -3.67 4.86 -0.02 2.29 -1.08 -1.04 -4.67 116.67 113.34 2ys4 s ASP 27 Ca 0.20 -1.96 0.03 0.00 -0.52 0.00 0.00 52.55 50.30 2ys4 s ASP 27 Cb 0.02 -1.68 -0.00 0.00 -1.46 0.00 0.00 42.92 39.80 2ys4 s ASP 27 CO 0.12 -0.39 -0.11 -0.36 0.52 0.00 0.00 175.17 174.95 2ys4 s PHE 28 N 1.01 1.11 0.73 -5.34 0.40 -1.26 -4.22 117.98 110.41 2ys4 s PHE 28 Ca 0.07 -0.26 -0.12 0.00 -0.60 0.00 0.00 56.93 56.02 2ys4 s PHE 28 Cb -0.20 -0.75 0.03 0.00 0.51 0.00 0.00 43.02 42.61 2ys4 s PHE 28 CO -0.06 -0.07 1.10 -1.25 0.70 0.00 0.00 175.22 175.63 2ys4 s PRO 29 N -0.04 2.46 0.20 0.24 0.04 -1.26 -4.96 135.00 131.68 2ys4 s PRO 29 Ca 0.00 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.19 2ys4 s PRO 29 Cb -0.07 -1.92 0.13 0.00 0.04 0.00 0.00 34.50 32.68 2ys4 s PRO 29 CO 0.00 -1.50 1.84 0.22 0.04 0.00 0.00 177.00 177.61 2ys4 h ASP 30 N -0.68 0.82 -5.00 6.66 1.82 -1.96 -3.46 116.42 114.61 2ys4 h ASP 30 Ca -0.45 -0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.10 2ys4 h ASP 30 Cb 1.24 -0.21 -0.15 0.00 0.68 0.00 0.00 39.33 40.89 2ys4 h ASP 30 CO 0.52 0.63 0.17 -1.59 -1.61 0.00 0.00 179.24 177.37 2ys4 s LYS 31 N -6.02 1.16 -0.32 0.28 -2.85 -1.26 -3.15 119.74 107.57 2ys4 s LYS 31 Ca -0.13 -0.16 -0.06 0.00 -1.00 0.00 0.00 55.97 54.62 2ys4 s LYS 31 Cb 0.14 0.54 0.03 0.00 -2.06 0.00 0.00 37.83 36.48 2ys4 s LYS 31 CO 0.78 -0.44 0.08 -1.17 0.10 0.00 0.00 175.35 174.70 2ys4 s LEU 32 N -2.04 4.13 -0.52 2.77 0.20 -0.57 -4.97 118.68 117.68 2ys4 s LEU 32 Ca -0.04 -1.05 -0.21 0.00 0.69 0.00 0.00 54.13 53.52 2ys4 s LEU 32 Cb -0.01 -1.85 0.05 0.00 -0.43 0.00 0.00 46.19 43.96 2ys4 s LEU 32 CO -0.03 -0.28 0.72 0.20 -0.29 0.00 0.00 176.35 176.67 2ys4 s ASN 33 N 1.40 6.26 -0.46 3.68 0.01 -1.26 -2.37 114.94 122.20 2ys4 s ASN 33 Ca -0.01 -0.76 -0.29 0.00 -0.71 0.00 0.00 52.86 51.09 2ys4 s ASN 33 Cb -0.19 -2.33 0.03 0.00 0.41 0.00 0.00 41.25 39.17 2ys4 s ASN 33 CO 0.02 -0.99 1.14 -0.36 -1.51 0.00 0.00 177.10 175.40 2ys4 s PHE 34 N 3.01 2.84 1.11 2.20 0.40 -1.25 -4.98 117.98 121.31 2ys4 s PHE 34 Ca 0.19 0.77 -0.16 0.00 -0.60 0.00 0.00 56.93 57.14 2ys4 s PHE 34 Cb -0.17 -4.34 0.20 0.00 0.51 0.00 0.00 43.02 39.21 2ys4 s PHE 34 CO 0.14 -1.24 0.37 0.43 0.70 0.00 0.00 175.22 175.63 2ys4 n SER 35 N 7.76 -3.08 -4.67 1.36 7.64 -1.26 -3.56 113.62 117.81 2ys4 n SER 35 Ca 0.12 -0.42 -0.51 0.00 1.01 0.00 0.00 58.87 59.07 2ys4 n SER 35 Cb 0.49 -0.84 -0.05 0.00 -1.01 0.00 0.00 64.21 62.79 2ys4 n SER 35 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2ys4 n THR 36 N -4.66 0.27 -4.09 0.44 -1.04 -1.26 -4.48 114.28 99.46 2ys4 n THR 36 Ca 0.06 -0.05 -0.08 0.00 -2.04 0.00 0.00 64.05 61.95 2ys4 n THR 36 Cb 0.44 -1.44 -0.10 0.00 -1.82 0.00 0.00 70.33 67.40 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 -3.75 4.41 0.03 0.00 0.04 -1.26 -2.45 135.00 132.01 2ys4 s PRO 38 Ca 0.06 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.94 2ys4 s PRO 38 Cb 0.07 -3.17 -0.12 0.00 0.04 0.00 0.00 34.50 31.32 2ys4 s PRO 38 CO -0.09 -0.19 1.22 -0.24 0.04 0.00 0.00 177.00 177.74 2ys4 h VAL 39 N 3.55 0.00 0.47 -0.36 3.04 -1.69 -3.35 116.25 117.90 2ys4 h VAL 39 Ca -0.46 -0.06 -0.02 0.00 -1.01 0.00 0.00 66.70 65.15 2ys4 h VAL 39 Cb 1.22 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2ys4 h VAL 39 CO 0.74 0.00 -0.26 0.11 -1.01 0.00 0.00 177.57 177.15 2ys4 h LYS 40 N -0.82 -0.64 -6.63 4.17 6.56 -1.83 -3.29 116.57 114.08 2ys4 h LYS 40 Ca -0.08 0.04 -0.58 0.00 -1.06 0.00 0.00 60.65 58.97 2ys4 h LYS 40 Cb 0.58 0.15 0.14 0.00 -0.57 0.00 0.00 32.23 32.53 2ys4 h LYS 40 CO 0.13 -0.43 0.02 0.66 -2.06 0.00 0.00 179.45 177.77 2ys4 n TYR 41 N -3.92 0.69 -2.31 -1.35 4.01 -1.26 -4.81 117.16 108.22 2ys4 n TYR 41 Ca -0.08 0.53 -0.32 0.00 -0.16 0.00 0.00 57.90 57.87 2ys4 n TYR 41 Cb 0.27 -2.15 -0.02 0.00 -0.31 0.00 0.00 39.34 37.13 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 -0.91 6.52 0.04 7.72 1.04 -1.26 -4.61 113.70 122.24 2ys4 s SER 42 Ca 0.66 1.50 0.09 0.00 0.48 0.00 0.00 55.95 58.67 2ys4 s SER 42 Cb -0.52 -2.48 -0.03 0.00 0.10 0.00 0.00 66.02 63.09 2ys4 s SER 42 CO 0.55 -0.64 -0.24 -0.89 0.98 0.00 0.00 173.24 172.99 2ys4 s THR 43 N -2.74 1.97 0.14 2.02 2.01 -1.12 -4.93 115.64 112.99 2ys4 s THR 43 Ca 0.57 -1.30 0.07 0.00 0.31 0.00 0.00 61.69 61.34 2ys4 s THR 43 Cb -0.10 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 2ys4 s THR 43 CO 0.37 0.33 -0.17 -1.10 -0.69 0.00 0.00 174.62 173.36 2ys4 s GLN 44 N -1.17 1.15 0.01 4.92 1.11 -1.26 -2.03 119.66 122.39 2ys4 s GLN 44 Ca 0.10 -1.30 -0.21 0.00 0.01 0.00 0.00 55.36 53.96 2ys4 s GLN 44 Cb -0.10 -1.17 0.04 0.00 -1.01 0.00 0.00 33.01 30.78 2ys4 s GLN 44 CO 0.02 0.24 0.47 0.21 0.01 0.00 0.00 175.29 176.24 2ys4 s LYS 45 N -2.61 0.91 0.01 2.91 2.47 -1.04 -5.00 119.74 117.39 2ys4 s LYS 45 Ca 0.12 -0.14 0.03 0.00 -1.56 0.00 0.00 55.97 54.41 2ys4 s LYS 45 Cb -0.06 0.42 -0.04 0.00 -1.46 0.00 0.00 37.83 36.69 2ys4 s LYS 45 CO 0.05 -0.30 -0.03 0.42 0.16 0.00 0.00 175.35 175.65 2ys4 s ILE 46 N -1.87 3.89 -0.28 5.43 -1.09 -1.26 -1.40 121.20 124.62 2ys4 s ILE 46 Ca -0.09 -0.72 -0.01 0.00 -2.23 0.00 0.00 60.65 57.60 2ys4 s ILE 46 Cb -0.02 -2.72 0.09 0.00 -1.58 0.00 0.00 42.46 38.23 2ys4 s ILE 46 CO 0.02 0.36 0.08 -0.22 -1.23 0.00 0.00 174.94 173.96 2ys4 s LEU 47 N -1.55 1.94 -0.24 2.97 2.96 -0.22 -4.92 118.68 119.64 2ys4 s LEU 47 Ca 0.19 -1.43 -0.29 0.00 -0.22 0.00 0.00 54.13 52.38 2ys4 s LEU 47 Cb -0.11 -0.80 -0.01 0.00 0.50 0.00 0.00 46.19 45.77 2ys4 s LEU 47 CO 0.09 -0.39 1.29 -0.22 -1.32 0.00 0.00 176.35 175.81 2ys4 s LEU 48 N 1.68 4.01 -0.15 -0.68 1.98 -1.26 -1.75 118.68 122.51 2ys4 s LEU 48 Ca 0.07 1.43 -0.04 0.00 -2.89 0.00 0.00 54.13 52.70 2ys4 s LEU 48 Cb -0.17 -3.54 -0.03 0.00 0.66 0.00 0.00 46.19 43.11 2ys4 s LEU 48 CO -0.22 -0.94 -0.02 -0.69 -1.89 0.00 0.00 176.35 172.59 2ys4 s VAL 49 N 4.01 4.09 -0.16 1.68 1.01 0.89 -4.93 120.40 126.98 2ys4 s VAL 49 Ca 0.56 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.25 2ys4 s VAL 49 Cb -0.19 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2ys4 s VAL 49 CO 0.19 0.50 -0.17 -0.60 0.00 0.00 0.00 175.10 175.03 2ys4 s ARG 50 N 0.22 3.14 -0.36 2.72 3.52 -1.26 -0.76 118.95 126.16 2ys4 s ARG 50 Ca -0.01 -0.78 -0.28 0.00 -0.13 0.00 0.00 55.73 54.53 2ys4 s ARG 50 Cb -0.13 -2.60 -0.02 0.00 -1.56 0.00 0.00 34.95 30.63 2ys4 s ARG 50 CO 0.02 -0.06 1.82 1.21 -0.81 0.00 0.00 175.30 177.49 2ys4 s ASN 51 N 0.97 5.79 -0.11 -2.12 3.84 -1.12 -2.51 114.94 119.68 2ys4 s ASN 51 Ca -0.03 1.20 0.16 0.00 0.21 0.00 0.00 52.86 54.41 2ys4 s ASN 51 Cb -0.15 -2.53 0.58 0.00 -0.55 0.00 0.00 41.25 38.61 2ys4 s ASN 51 CO -0.03 -1.81 1.50 2.30 -2.79 0.00 0.00 177.10 176.27 2ys4 n ILE 52 N 7.41 1.83 -2.03 -5.21 -5.35 -1.10 -2.33 119.36 112.57 2ys4 n ILE 52 Ca 0.23 -1.35 0.00 0.00 -0.27 0.00 0.00 62.75 61.36 2ys4 n ILE 52 Cb 0.47 0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 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 0.51 0.58 0.13 3.28 0.00 -0.58 -4.65 105.19 104.46 2ys4 n GLY 53 Ca 0.21 -1.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.11 2ys4 n GLY 53 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ys4 n ASN 54 N -2.77 2.03 -4.58 1.61 3.02 -1.26 -4.81 115.26 108.50 2ys4 n ASN 54 Ca 0.00 0.06 -0.29 0.00 -0.03 0.00 0.00 54.58 54.33 2ys4 n ASN 54 Cb 0.00 -0.65 -0.09 0.00 -0.61 0.00 0.00 39.78 38.43 2ys4 n ASN 54 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ys4 s LYS 55 N -2.53 2.01 0.23 3.52 2.20 -1.26 -4.90 119.74 119.01 2ys4 s LYS 55 Ca -0.30 -2.21 -0.31 0.00 -0.36 0.00 0.00 55.97 52.79 2ys4 s LYS 55 Cb 0.08 -1.35 -0.14 0.00 -1.51 0.00 0.00 37.83 34.91 2ys4 s LYS 55 CO 0.66 -0.25 1.26 0.27 -0.36 0.00 0.00 175.35 176.93 2ys4 n ASN 56 N -1.09 2.07 -4.70 1.43 6.94 -1.26 -4.21 115.26 114.44 2ys4 n ASN 56 Ca -0.10 1.15 -0.34 0.00 -0.02 0.00 0.00 54.58 55.26 2ys4 n ASN 56 Cb 0.67 -1.34 -0.09 0.00 -2.36 0.00 0.00 39.78 36.66 2ys4 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ys4 s ALA 57 N -0.31 3.33 -0.25 -2.53 0.00 -1.03 -4.73 121.76 116.24 2ys4 s ALA 57 Ca 0.68 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.83 2ys4 s ALA 57 Cb -0.72 -1.48 0.06 0.00 0.00 0.00 0.00 23.12 20.98 2ys4 s ALA 57 CO 0.53 0.61 -0.07 0.08 0.00 0.00 0.00 175.76 176.91 2ys4 s VAL 58 N -0.94 1.81 0.29 0.00 1.01 -1.26 -2.80 120.40 118.50 2ys4 s VAL 58 Ca 0.15 -1.44 0.11 0.00 0.00 0.00 0.00 61.98 60.80 2ys4 s VAL 58 Cb -0.11 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2ys4 s VAL 58 CO 0.04 -0.10 -0.17 0.72 0.00 0.00 0.00 175.10 175.59 2ys4 s PHE 59 N 1.26 2.33 -0.26 5.22 -0.71 -1.15 -1.56 117.98 123.12 2ys4 s PHE 59 Ca -0.06 -0.35 -0.02 0.00 -1.04 0.00 0.00 56.93 55.46 2ys4 s PHE 59 Cb -0.19 -1.06 0.12 0.00 -1.21 0.00 0.00 43.02 40.68 2ys4 s PHE 59 CO -0.06 0.69 0.28 -1.58 -1.34 0.00 0.00 175.22 173.21 2ys4 s HIS 60 N -2.51 -0.45 0.27 3.49 2.46 0.11 -2.82 115.29 115.84 2ys4 s HIS 60 Ca 0.30 0.09 -0.22 0.00 0.47 0.00 0.00 55.06 55.71 2ys4 s HIS 60 Cb -0.04 -0.36 -0.09 0.00 -0.13 0.00 0.00 32.58 31.96 2ys4 s HIS 60 CO 0.16 -0.79 0.82 0.42 -2.47 0.00 0.00 174.74 172.87 2ys4 s ILE 61 N 2.37 4.42 -0.05 0.89 1.01 0.29 -1.53 121.20 128.60 2ys4 s ILE 61 Ca 0.09 1.50 -0.02 0.00 0.00 0.00 0.00 60.65 62.21 2ys4 s ILE 61 Cb -0.15 -3.91 0.03 0.00 0.01 0.00 0.00 42.46 38.45 2ys4 s ILE 61 CO -0.24 0.16 0.12 -0.54 0.00 0.00 0.00 174.94 174.44 2ys4 s LYS 62 N -2.06 0.07 0.06 2.79 -0.14 -1.24 -4.50 119.74 114.72 2ys4 s LYS 62 Ca 0.47 0.30 -0.27 0.00 -1.36 0.00 0.00 55.97 55.11 2ys4 s LYS 62 Cb -0.17 -0.16 0.09 0.00 -1.68 0.00 0.00 37.83 35.90 2ys4 s LYS 62 CO 0.22 -0.15 0.98 -0.08 -0.76 0.00 0.00 175.35 175.56 2ys4 s THR 63 N 1.00 0.00 0.18 2.17 -1.32 -1.26 -4.51 115.64 111.90 2ys4 s THR 63 Ca -0.08 -0.36 0.06 0.00 -1.21 0.00 0.00 61.69 60.10 2ys4 s THR 63 Cb -0.10 -1.60 -0.05 0.00 -1.51 0.00 0.00 72.50 69.24 2ys4 s THR 63 CO -0.05 0.00 -0.10 0.00 -2.21 0.00 0.00 174.62 172.26 2ys4 n ARG 65 N -0.31 -0.08 0.00 0.00 1.85 -1.26 -1.43 116.66 115.43 2ys4 n ARG 65 Ca -0.09 0.02 0.08 0.00 -1.00 0.00 0.00 57.85 56.86 2ys4 n ARG 65 Cb 0.61 -1.85 0.44 0.00 -1.05 0.00 0.00 32.46 30.62 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 -1.34 0.42 -3.57 2.89 -0.04 -1.26 -4.99 135.00 127.11 2ys4 n PRO 66 Ca 0.08 0.04 -0.37 0.00 -0.04 0.00 0.00 63.50 63.20 2ys4 n PRO 66 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.14 3.63 0.02 0.54 0.08 -0.52 -2.50 117.98 117.09 2ys4 s PHE 67 Ca 0.21 0.81 -0.27 0.00 0.12 0.00 0.00 56.93 57.80 2ys4 s PHE 67 Cb 0.11 -2.25 0.09 0.00 -0.57 0.00 0.00 43.02 40.40 2ys4 s PHE 67 CO 0.19 0.54 0.79 0.45 -0.10 0.00 0.00 175.22 177.10 2ys4 s SER 68 N -0.61 -0.46 0.08 1.36 0.15 0.18 -2.81 113.70 111.60 2ys4 s SER 68 Ca 0.21 0.12 -0.11 0.00 0.70 0.00 0.00 55.95 56.86 2ys4 s SER 68 Cb -0.15 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.63 2ys4 s SER 68 CO 0.09 -0.69 0.26 0.27 1.20 0.00 0.00 173.24 174.37 2ys4 s ILE 69 N -2.88 0.11 -0.25 6.45 -0.00 -1.26 0.51 121.20 123.88 2ys4 s ILE 69 Ca 0.01 -0.91 -0.20 0.00 -0.00 0.00 0.00 60.65 59.55 2ys4 s ILE 69 Cb -0.01 -1.17 0.07 0.00 -0.00 0.00 0.00 42.46 41.35 2ys4 s ILE 69 CO -0.07 -0.50 0.64 -0.70 -0.00 0.00 0.00 174.94 174.31 2ys4 s GLU 70 N -3.41 0.72 0.43 0.37 2.12 -0.40 -3.74 118.70 114.78 2ys4 s GLU 70 Ca 0.01 0.97 -0.24 0.00 0.36 0.00 0.00 54.97 56.07 2ys4 s GLU 70 Cb 0.02 0.29 -0.08 0.00 0.26 0.00 0.00 34.13 34.62 2ys4 s GLU 70 CO -0.09 -0.11 1.18 -1.25 -0.54 0.00 0.00 175.26 174.45 2ys4 s PRO 71 N 0.73 3.92 0.43 4.30 0.04 -1.26 -2.59 135.00 140.57 2ys4 s PRO 71 Ca -0.03 1.83 0.19 0.00 0.04 0.00 0.00 61.00 63.04 2ys4 s PRO 71 Cb -0.05 -2.56 1.00 0.00 0.04 0.00 0.00 34.50 32.92 2ys4 s PRO 71 CO -0.05 -0.44 1.91 0.00 0.04 0.00 0.00 177.00 178.46 2ys4 h ALA 72 N 2.38 1.30 -3.07 8.56 0.00 -1.85 -3.44 119.26 123.14 2ys4 h ALA 72 Ca -0.49 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 53.98 2ys4 h ALA 72 Cb 1.24 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.77 2ys4 h ALA 72 CO 0.61 0.33 -0.71 -1.50 0.00 0.00 0.00 179.25 177.98 2ys4 s ILE 73 N -4.11 0.20 0.02 0.00 2.07 -1.26 0.11 121.20 118.22 2ys4 s ILE 73 Ca -0.02 -0.89 -0.29 0.00 -1.41 0.00 0.00 60.65 58.03 2ys4 s ILE 73 Cb 0.13 -0.32 0.11 0.00 0.13 0.00 0.00 42.46 42.51 2ys4 s ILE 73 CO 0.66 -0.44 1.23 -0.83 -1.91 0.00 0.00 174.94 173.65 2ys4 s GLY 74 N -1.39 -0.36 -0.13 1.50 0.00 -1.13 -5.01 107.32 100.80 2ys4 s GLY 74 Ca -0.14 0.54 -0.01 0.00 0.00 0.00 0.00 44.72 45.11 2ys4 s GLY 74 CO -0.01 0.43 -0.05 -0.51 0.00 0.00 0.00 173.10 172.97 2ys4 s THR 75 N -2.54 0.90 -0.01 0.90 -4.23 -1.26 -2.93 115.64 106.46 2ys4 s THR 75 Ca 0.15 -0.34 -0.08 0.00 -1.18 0.00 0.00 61.69 60.23 2ys4 s THR 75 Cb 0.03 -1.03 -0.05 0.00 1.34 0.00 0.00 72.50 72.79 2ys4 s THR 75 CO -0.02 0.23 0.28 -0.22 -0.54 0.00 0.00 174.62 174.35 2ys4 s LEU 76 N 1.74 4.39 0.33 4.79 2.96 -1.12 -4.98 118.68 126.79 2ys4 s LEU 76 Ca 0.03 0.63 -0.08 0.00 -0.22 0.00 0.00 54.13 54.49 2ys4 s LEU 76 Cb -0.14 -2.56 -0.06 0.00 0.50 0.00 0.00 46.19 43.93 2ys4 s LEU 76 CO -0.08 0.29 0.65 0.20 -1.32 0.00 0.00 176.35 176.09 2ys4 s ASN 77 N -1.45 6.52 0.25 3.68 0.01 -1.26 -2.46 114.94 120.22 2ys4 s ASN 77 Ca 0.25 0.93 -0.31 0.00 -0.71 0.00 0.00 52.86 53.02 2ys4 s ASN 77 Cb -0.14 -2.24 -0.12 0.00 0.41 0.00 0.00 41.25 39.17 2ys4 s ASN 77 CO 0.13 -0.26 1.65 -0.69 -1.51 0.00 0.00 177.10 176.42 2ys4 s VAL 78 N -2.15 2.06 0.00 1.60 1.01 -1.26 -2.59 120.40 119.07 2ys4 s VAL 78 Ca 0.48 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2ys4 s VAL 78 Cb -0.11 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2ys4 s VAL 78 CO 0.28 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2ys4 n GLY 79 N 2.98 1.98 3.80 4.51 0.00 -0.98 -4.98 105.19 112.49 2ys4 n GLY 79 Ca 0.12 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 3.43 0.50 1.61 0.41 -1.07 -4.64 118.70 118.95 2ys4 s GLU 80 Ca 0.00 1.27 0.02 0.00 -0.41 0.00 0.00 54.97 55.85 2ys4 s GLU 80 Cb 0.00 -2.04 -0.01 0.00 -1.78 0.00 0.00 34.13 30.29 2ys4 s GLU 80 CO 0.00 -0.73 0.05 -1.12 -0.49 0.00 0.00 175.26 172.97 2ys4 s SER 81 N -2.52 4.17 0.21 -0.19 0.01 -1.26 -2.80 113.70 111.33 2ys4 s SER 81 Ca 0.65 -1.58 -0.18 0.00 1.31 0.00 0.00 55.95 56.15 2ys4 s SER 81 Cb -0.17 0.41 0.03 0.00 0.21 0.00 0.00 66.02 66.51 2ys4 s SER 81 CO 0.32 -0.84 0.56 0.00 0.41 0.00 0.00 173.24 173.69 2ys4 s MET 82 N -3.91 1.46 -0.08 12.44 0.23 0.06 -4.97 119.30 124.53 2ys4 s MET 82 Ca 0.12 -0.89 0.02 0.00 -1.03 0.00 0.00 55.69 53.91 2ys4 s MET 82 Cb 0.02 0.54 -0.02 0.00 -1.53 0.00 0.00 34.83 33.84 2ys4 s MET 82 CO 0.07 -0.63 -0.15 -0.65 -2.03 0.00 0.00 175.02 171.62 2ys4 s GLN 83 N -3.89 2.85 -0.14 3.16 -0.21 -1.26 -0.08 119.66 120.09 2ys4 s GLN 83 Ca 0.10 -0.72 0.02 0.00 0.02 0.00 0.00 55.36 54.78 2ys4 s GLN 83 Cb -0.02 -2.45 0.00 0.00 1.00 0.00 0.00 33.01 31.55 2ys4 s GLN 83 CO -0.01 0.44 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.89 2ys4 s LEU 84 N -0.25 2.25 -0.32 2.90 1.43 -0.72 -4.90 118.68 119.07 2ys4 s LEU 84 Ca 0.01 -0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 52.39 2ys4 s LEU 84 Cb -0.13 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 2ys4 s LEU 84 CO 0.03 0.10 0.50 -1.61 0.23 0.00 0.00 176.35 175.59 2ys4 s GLU 85 N 0.73 3.75 -0.21 1.70 2.02 -1.07 -1.05 118.70 124.57 2ys4 s GLU 85 Ca -0.08 -0.05 -0.06 0.00 0.02 0.00 0.00 54.97 54.79 2ys4 s GLU 85 Cb -0.16 -3.76 -0.03 0.00 0.10 0.00 0.00 34.13 30.28 2ys4 s GLU 85 CO 0.00 -0.55 0.04 0.08 0.02 0.00 0.00 175.26 174.86 2ys4 s VAL 86 N 2.34 4.33 -0.14 2.63 1.01 -0.49 -1.28 120.40 128.80 2ys4 s VAL 86 Ca 0.19 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 2ys4 s VAL 86 Cb -0.16 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2ys4 s VAL 86 CO 0.12 0.41 0.06 -0.70 0.00 0.00 0.00 175.10 174.99 2ys4 s GLU 87 N 0.98 3.52 -0.27 2.72 2.12 0.18 -2.49 118.70 125.47 2ys4 s GLU 87 Ca 0.03 -0.31 -0.01 0.00 0.36 0.00 0.00 54.97 55.04 2ys4 s GLU 87 Cb -0.14 -3.08 0.16 0.00 0.26 0.00 0.00 34.13 31.33 2ys4 s GLU 87 CO 0.02 0.55 0.46 0.12 -0.54 0.00 0.00 175.26 175.87 2ys4 s PHE 88 N -0.40 -1.14 -0.35 5.30 5.36 -0.86 -0.65 117.98 125.25 2ys4 s PHE 88 Ca 0.09 1.02 0.02 0.00 -0.96 0.00 0.00 56.93 57.10 2ys4 s PHE 88 Cb -0.12 0.17 0.09 0.00 -0.34 0.00 0.00 43.02 42.82 2ys4 s PHE 88 CO 0.02 -0.83 0.07 -2.00 -1.46 0.00 0.00 175.22 171.02 2ys4 s GLU 89 N 2.65 1.78 -0.21 10.12 2.12 -1.04 -2.80 118.70 131.32 2ys4 s GLU 89 Ca 0.14 -1.75 -0.29 0.00 0.36 0.00 0.00 54.97 53.43 2ys4 s GLU 89 Cb -0.15 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 2ys4 s GLU 89 CO -0.20 -0.91 1.60 -1.25 -0.54 0.00 0.00 175.26 173.97 2ys4 s PRO 90 N 1.01 3.83 -0.03 4.30 0.04 -1.24 -4.75 135.00 138.17 2ys4 s PRO 90 Ca 0.07 1.69 0.03 0.00 0.04 0.00 0.00 61.00 62.83 2ys4 s PRO 90 Cb -0.20 -4.02 0.15 0.00 0.04 0.00 0.00 34.50 30.46 2ys4 s PRO 90 CO -0.06 -1.24 0.88 0.94 0.04 0.00 0.00 177.00 177.55 2ys4 n GLN 91 N 7.59 1.60 -3.39 4.56 -0.06 -1.26 -3.91 117.38 122.51 2ys4 n GLN 91 Ca 0.18 -0.57 -0.09 0.00 -2.00 0.00 0.00 57.00 54.52 2ys4 n GLN 91 Cb 0.45 -1.45 -0.08 0.00 -4.06 0.00 0.00 30.24 25.10 2ys4 n GLN 91 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 2ys4 s SER 92 N -0.47 0.20 0.16 1.69 0.01 -1.26 -4.99 113.70 109.04 2ys4 s SER 92 Ca 0.10 0.31 -0.34 0.00 1.31 0.00 0.00 55.95 57.33 2ys4 s SER 92 Cb 0.07 1.13 -0.15 0.00 0.21 0.00 0.00 66.02 67.28 2ys4 s SER 92 CO 0.04 -0.29 1.40 0.55 0.41 0.00 0.00 173.24 175.35 2ys4 n VAL 93 N 5.37 0.36 -0.21 3.43 3.14 -1.26 -4.82 118.33 124.34 2ys4 n VAL 93 Ca -0.04 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 2ys4 n VAL 93 Cb 0.50 -1.21 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 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 2.65 0.37 3.61 7.55 0.00 -1.23 -4.94 105.19 113.20 2ys4 n GLY 94 Ca 0.16 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 2ys4 n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ys4 s ASP 95 N -1.13 6.73 0.02 1.61 1.11 -1.26 -0.56 116.67 123.19 2ys4 s ASP 95 Ca 0.00 0.67 0.06 0.00 0.18 0.00 0.00 52.55 53.46 2ys4 s ASP 95 Cb 0.00 -2.49 -0.03 0.00 1.07 0.00 0.00 42.92 41.47 2ys4 s ASP 95 CO 0.00 -0.91 -0.16 -1.00 1.18 0.00 0.00 175.17 174.28 2ys4 s HIS 96 N 3.63 2.62 0.20 4.23 3.76 -1.26 -4.99 115.29 123.48 2ys4 s HIS 96 Ca 0.41 -0.22 -0.13 0.00 -0.15 0.00 0.00 55.06 54.97 2ys4 s HIS 96 Cb -0.11 -1.50 0.01 0.00 1.11 0.00 0.00 32.58 32.08 2ys4 s HIS 96 CO 0.19 0.26 0.43 0.45 -0.85 0.00 0.00 174.74 175.22 2ys4 s SER 97 N -1.34 -0.11 0.00 1.40 0.15 -1.26 -2.19 113.70 110.36 2ys4 s SER 97 Ca 0.15 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.04 2ys4 s SER 97 Cb -0.11 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2ys4 s SER 97 CO 0.05 -1.03 0.00 0.61 1.20 0.00 0.00 173.24 174.07 2ys4 n GLY 98 N -0.31 2.13 3.55 9.45 0.00 -1.16 -4.90 105.19 113.95 2ys4 n GLY 98 Ca -0.06 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 2ys4 n GLY 98 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ys4 s ARG 99 N 4.85 0.67 -0.16 1.61 1.70 -1.26 -1.02 118.95 125.34 2ys4 s ARG 99 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 55.73 55.26 2ys4 s ARG 99 Cb 0.00 0.31 -0.01 0.00 -0.57 0.00 0.00 34.95 34.68 2ys4 s ARG 99 CO 0.00 -0.24 -0.11 -0.51 -1.08 0.00 0.00 175.30 173.36 2ys4 s LEU 100 N -1.55 2.73 -0.42 -1.89 1.43 0.11 -4.85 118.68 114.24 2ys4 s LEU 100 Ca 0.00 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 2ys4 s LEU 100 Cb -0.01 -1.64 0.04 0.00 0.03 0.00 0.00 46.19 44.62 2ys4 s LEU 100 CO -0.01 0.11 0.29 -0.63 0.23 0.00 0.00 176.35 176.34 2ys4 s ILE 101 N 0.68 4.90 -0.36 -0.59 1.01 -1.25 -2.08 121.20 123.51 2ys4 s ILE 101 Ca -0.06 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.50 2ys4 s ILE 101 Cb -0.15 -3.81 -0.00 0.00 0.01 0.00 0.00 42.46 38.50 2ys4 s ILE 101 CO 0.02 -0.38 0.49 -0.69 0.00 0.00 0.00 174.94 174.39 2ys4 s VAL 102 N 1.60 5.03 -0.19 2.92 1.01 -0.79 -3.68 120.40 126.30 2ys4 s VAL 102 Ca 0.03 0.24 -0.22 0.00 0.00 0.00 0.00 61.98 62.04 2ys4 s VAL 102 Cb -0.21 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 2ys4 s VAL 102 CO 0.07 -0.23 0.68 0.00 0.00 0.00 0.00 175.10 175.61 2ys4 s TYR 104 N 1.94 3.49 0.39 0.00 1.51 -0.47 0.05 117.35 124.27 2ys4 s TYR 104 Ca 0.31 0.45 0.08 0.00 -1.01 0.00 0.00 57.07 56.90 2ys4 s TYR 104 Cb -0.16 -1.97 0.83 0.00 -0.11 0.00 0.00 41.96 40.55 2ys4 s TYR 104 CO 0.11 0.17 1.99 0.22 -1.11 0.00 0.00 175.55 176.93 2ys4 h ASP 105 N 1.22 0.55 0.76 2.29 3.58 -1.62 -1.58 116.42 121.63 2ys4 h ASP 105 Ca -0.49 -0.00 -0.22 0.00 0.42 0.00 0.00 57.03 56.74 2ys4 h ASP 105 Cb 1.20 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.12 2ys4 h ASP 105 CO 0.64 0.37 -1.00 0.00 -2.88 0.00 0.00 179.24 176.37 2ys4 h THR 106 N 0.63 1.58 0.00 2.25 1.03 -1.94 -3.47 112.91 112.99 2ys4 h THR 106 Ca 0.26 -3.01 0.00 0.00 -0.01 0.00 0.00 66.41 63.64 2ys4 h THR 106 Cb 0.22 2.71 0.00 0.00 -1.07 0.00 0.00 68.15 70.01 2ys4 h THR 106 CO -0.08 0.87 0.00 0.61 -0.01 0.00 0.00 175.52 176.92 2ys4 n GLY 107 N 1.18 1.16 3.62 2.99 0.00 -0.59 -5.12 105.19 108.44 2ys4 n GLY 107 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2ys4 n GLY 107 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ys4 n GLU 108 N 0.00 1.57 -5.13 1.61 4.71 -1.26 -4.57 120.64 117.57 2ys4 n GLU 108 Ca 0.00 0.55 -0.30 0.00 -0.01 0.00 0.00 57.16 57.41 2ys4 n GLU 108 Cb 0.00 -2.03 -0.16 0.00 -1.01 0.00 0.00 31.44 28.24 2ys4 n GLU 108 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2ys4 s LYS 109 N -1.76 2.31 -0.03 3.49 1.02 -1.26 -1.37 119.74 122.15 2ys4 s LYS 109 Ca 0.59 -0.81 0.07 0.00 0.02 0.00 0.00 55.97 55.83 2ys4 s LYS 109 Cb -0.63 -1.97 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 2ys4 s LYS 109 CO 0.60 0.33 -0.23 0.08 -0.92 0.00 0.00 175.35 175.21 2ys4 s VAL 110 N -0.09 2.29 -0.16 3.17 1.01 -1.06 -4.94 120.40 120.61 2ys4 s VAL 110 Ca -0.04 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 60.93 2ys4 s VAL 110 Cb -0.13 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 2ys4 s VAL 110 CO 0.03 0.58 -0.14 -0.36 0.00 0.00 0.00 175.10 175.21 2ys4 s PHE 111 N -0.57 2.80 -0.28 5.22 0.08 -1.25 -1.89 117.98 122.09 2ys4 s PHE 111 Ca 0.08 -1.06 -0.00 0.00 0.12 0.00 0.00 56.93 56.07 2ys4 s PHE 111 Cb -0.11 -1.91 0.09 0.00 -0.57 0.00 0.00 43.02 40.52 2ys4 s PHE 111 CO -0.00 -0.50 0.05 0.08 -0.10 0.00 0.00 175.22 174.75 2ys4 s VAL 112 N 0.90 1.09 0.33 -0.44 1.01 -0.89 -4.89 120.40 117.53 2ys4 s VAL 112 Ca -0.03 -1.33 -0.27 0.00 0.00 0.00 0.00 61.98 60.35 2ys4 s VAL 112 Cb -0.15 -1.70 -0.13 0.00 0.00 0.00 0.00 36.38 34.41 2ys4 s VAL 112 CO -0.01 -0.48 1.08 -1.20 0.00 0.00 0.00 175.10 174.49 2ys4 n SER 113 N 4.78 1.66 -4.89 3.32 7.64 -1.19 -0.72 113.62 124.23 2ys4 n SER 113 Ca -0.04 1.16 -0.24 0.00 1.01 0.00 0.00 58.87 60.75 2ys4 n SER 113 Cb 0.43 -1.35 -0.02 0.00 -1.01 0.00 0.00 64.21 62.27 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 -0.12 2.96 0.21 -3.43 1.43 -0.19 -1.51 118.68 118.04 2ys4 s LEU 114 Ca 0.59 -1.06 -0.23 0.00 -1.03 0.00 0.00 54.13 52.39 2ys4 s LEU 114 Cb -0.64 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.14 2ys4 s LEU 114 CO 0.60 -0.93 0.82 -0.31 0.23 0.00 0.00 176.35 176.76 2ys4 s TYR 115 N -2.66 -0.19 0.00 0.29 2.02 -1.00 -3.01 117.35 112.80 2ys4 s TYR 115 Ca 0.40 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.92 2ys4 s TYR 115 Cb -0.02 0.67 0.00 0.00 -0.40 0.00 0.00 41.96 42.21 2ys4 s TYR 115 CO 0.24 -1.03 0.00 0.41 -1.57 0.00 0.00 175.55 173.60 2ys4 n GLY 116 N -0.45 -1.80 3.52 0.71 0.00 -0.93 -3.97 105.19 102.26 2ys4 n GLY 116 Ca -0.06 0.69 -0.40 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.78 4.61 0.00 -1.23 -4.19 120.51 118.62 2ys4 n ALA 117 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 53.44 52.59 2ys4 n ALA 117 Cb 0.00 -2.79 0.13 0.00 0.00 0.00 0.00 19.45 16.79 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 2.26 -0.04 0.00 0.00 0.28 -2.86 121.76 131.66 2ys4 s ALA 118 Ca 1.12 -0.75 -0.21 0.00 0.00 0.00 0.00 51.96 52.13 2ys4 s ALA 118 Cb -0.65 -2.94 0.04 0.00 0.00 0.00 0.00 23.12 19.58 2ys4 s ALA 118 CO 0.38 -2.07 0.45 0.96 0.00 0.00 0.00 175.76 175.48 2ys4 s ILE 119 N -3.55 0.03 -0.31 0.00 -5.25 -1.03 -3.52 121.20 107.58 2ys4 s ILE 119 Ca 0.65 -0.28 -0.22 0.00 -0.99 0.00 0.00 60.65 59.81 2ys4 s ILE 119 Cb -0.10 -0.75 -0.00 0.00 2.95 0.00 0.00 42.46 44.55 2ys4 s ILE 119 CO 0.51 -0.15 0.72 -0.62 -1.79 0.00 0.00 174.94 173.61 2ys4 s ASP 120 N -1.19 6.59 -0.09 4.36 2.15 -1.26 -2.26 116.67 124.97 2ys4 s ASP 120 Ca -0.12 0.54 -0.11 0.00 0.43 0.00 0.00 52.55 53.30 2ys4 s ASP 120 Cb -0.03 -2.38 -0.28 0.00 -0.30 0.00 0.00 42.92 39.93 2ys4 s ASP 120 CO 0.06 -0.57 0.53 0.24 -0.17 0.00 0.00 175.17 175.26 2ys4 h MET 121 N 8.17 0.31 0.00 4.34 2.86 -2.00 -3.51 114.93 125.11 2ys4 h MET 121 Ca -0.25 -0.53 0.00 0.00 -2.06 0.00 0.00 59.70 56.85 2ys4 h MET 121 Cb 1.10 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.96 2ys4 h MET 121 CO 0.85 1.26 0.00 -1.71 1.06 0.00 0.00 176.91 178.37