#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 2.69 -0.01 1.61 1.04 -1.26 -5.16 113.70 112.61 2ys4 s SER 2 Ca 0.00 -1.22 -0.03 0.00 0.48 0.00 0.00 55.95 55.18 2ys4 s SER 2 Cb 0.00 -0.15 -0.00 0.00 0.10 0.00 0.00 66.02 65.96 2ys4 s SER 2 CO 0.00 -0.39 0.06 -0.55 0.98 0.00 0.00 173.24 173.34 2ys4 s SER 3 N -3.45 0.03 0.00 7.02 0.15 -1.26 -5.16 113.70 111.03 2ys4 s SER 3 Ca 0.30 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.85 2ys4 s SER 3 Cb 0.05 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2ys4 s SER 3 CO 0.12 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2ys4 n GLY 4 N 2.30 2.67 3.57 9.45 0.00 -1.26 -5.14 105.19 116.79 2ys4 n GLY 4 Ca -0.18 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.52 4.19 -0.18 1.61 0.01 -1.26 -5.07 113.70 112.49 2ys4 s SER 5 Ca 0.00 -0.71 -0.19 0.00 1.31 0.00 0.00 55.95 56.36 2ys4 s SER 5 Cb 0.00 -0.66 -0.16 0.00 0.21 0.00 0.00 66.02 65.41 2ys4 s SER 5 CO 0.00 0.05 0.23 0.28 0.41 0.00 0.00 173.24 174.21 2ys4 h SER 6 N 2.40 0.00 -1.01 2.44 0.02 -2.09 -3.51 113.55 111.80 2ys4 h SER 6 Ca -0.44 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 2ys4 h SER 6 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2ys4 h SER 6 CO 0.57 1.20 0.00 0.61 -1.14 0.00 0.00 176.83 178.07 2ys4 n GLY 7 N 1.52 0.47 3.19 -3.77 0.00 -1.26 -5.16 105.19 100.18 2ys4 n GLY 7 Ca -0.21 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.83 0.04 0.35 2.61 2.01 -1.26 -5.16 115.64 112.40 2ys4 s THR 8 Ca 0.00 -0.32 -0.18 0.00 0.31 0.00 0.00 61.69 61.50 2ys4 s THR 8 Cb 0.00 -0.50 -0.10 0.00 0.01 0.00 0.00 72.50 71.92 2ys4 s THR 8 CO 0.00 -0.18 0.81 -1.61 -0.69 0.00 0.00 174.62 172.95 2ys4 s GLU 9 N -0.74 4.12 0.24 4.92 8.01 -1.26 -5.09 118.70 128.90 2ys4 s GLU 9 Ca -0.08 0.85 0.03 0.00 0.01 0.00 0.00 54.97 55.78 2ys4 s GLU 9 Cb -0.04 -2.41 -0.05 0.00 -4.31 0.00 0.00 34.13 27.31 2ys4 s GLU 9 CO 0.02 0.13 0.03 1.03 0.01 0.00 0.00 175.26 176.48 2ys4 s ARG 10 N -2.91 1.35 0.66 1.61 3.00 -1.26 -5.14 118.95 116.25 2ys4 s ARG 10 Ca 0.55 -1.70 -0.16 0.00 0.00 0.00 0.00 55.73 54.42 2ys4 s ARG 10 Cb -0.11 -0.48 -0.00 0.00 0.00 0.00 0.00 34.95 34.36 2ys4 s ARG 10 CO 0.17 -0.17 1.16 -1.21 0.00 0.00 0.00 175.30 175.25 2ys4 s GLU 11 N -3.92 2.67 -0.34 3.54 2.02 -1.26 -4.96 118.70 116.45 2ys4 s GLU 11 Ca 0.31 1.62 -0.28 0.00 0.02 0.00 0.00 54.97 56.65 2ys4 s GLU 11 Cb 0.07 -1.91 0.02 0.00 0.10 0.00 0.00 34.13 32.40 2ys4 s GLU 11 CO 0.10 -1.39 1.02 0.15 0.02 0.00 0.00 175.26 175.16 2ys4 s LYS 12 N -3.79 3.98 0.51 1.61 3.01 -1.26 -5.03 119.74 118.77 2ys4 s LYS 12 Ca 0.72 0.88 0.05 0.00 -1.01 0.00 0.00 55.97 56.61 2ys4 s LYS 12 Cb -0.26 -3.76 0.01 0.00 -1.01 0.00 0.00 37.83 32.81 2ys4 s LYS 12 CO 0.39 -0.93 0.26 -0.59 0.51 0.00 0.00 175.35 174.99 2ys4 s PHE 13 N 3.61 1.92 0.07 3.18 -0.12 -1.26 -5.10 117.98 120.28 2ys4 s PHE 13 Ca 0.43 -0.81 -0.31 0.00 -0.05 0.00 0.00 56.93 56.20 2ys4 s PHE 13 Cb -0.12 -1.86 -0.06 0.00 -0.63 0.00 0.00 43.02 40.36 2ys4 s PHE 13 CO 0.17 -0.15 1.19 0.42 -0.05 0.00 0.00 175.22 176.79 2ys4 s ILE 14 N -2.76 4.04 0.36 -4.49 -1.09 -1.26 -5.01 121.20 111.00 2ys4 s ILE 14 Ca 0.29 1.48 -0.25 0.00 -2.23 0.00 0.00 60.65 59.94 2ys4 s ILE 14 Cb -0.00 -3.95 -0.10 0.00 -1.58 0.00 0.00 42.46 36.83 2ys4 s ILE 14 CO 0.17 0.12 0.98 0.68 -1.23 0.00 0.00 174.94 175.66 2ys4 s VAL 15 N 0.97 4.08 0.76 2.92 -7.23 -1.26 -5.04 120.40 115.60 2ys4 s VAL 15 Ca 0.58 1.62 -0.11 0.00 -1.81 0.00 0.00 61.98 62.26 2ys4 s VAL 15 Cb -0.29 -3.85 0.05 0.00 0.56 0.00 0.00 36.38 32.85 2ys4 s VAL 15 CO 0.30 0.03 1.09 -2.16 -0.31 0.00 0.00 175.10 174.05 2ys4 s PRO 16 N -2.35 2.30 0.27 4.82 0.04 -1.26 -5.02 135.00 133.80 2ys4 s PRO 16 Ca 0.54 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.51 2ys4 s PRO 16 Cb -0.18 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 2ys4 s PRO 16 CO 0.23 -1.61 0.90 0.42 0.04 0.00 0.00 177.00 176.98 2ys4 s ILE 17 N -2.84 4.22 -1.12 0.56 -1.09 -1.26 -3.93 121.20 115.74 2ys4 s ILE 17 Ca 0.62 1.83 -0.02 0.00 -2.23 0.00 0.00 60.65 60.85 2ys4 s ILE 17 Cb -0.18 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 2ys4 s ILE 17 CO 0.55 0.29 0.95 1.17 -1.23 0.00 0.00 174.94 176.67 2ys4 n LYS 18 N 0.96 -6.33 -0.08 2.79 4.81 -1.26 -4.94 118.16 114.11 2ys4 n LYS 18 Ca -0.00 0.76 -0.21 0.00 -0.87 0.00 0.00 58.31 57.99 2ys4 n LYS 18 Cb 0.49 -5.55 -0.13 0.00 0.02 0.00 0.00 35.03 29.87 2ys4 n LYS 18 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ys4 n ALA 19 N -4.09 1.16 -2.50 3.14 0.00 -1.25 -4.99 120.51 111.98 2ys4 n ALA 19 Ca -0.19 -0.86 -0.22 0.00 0.00 0.00 0.00 53.44 52.17 2ys4 n ALA 19 Cb 0.63 -0.34 -0.12 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.52 1.17 0.00 0.00 3.00 -1.26 -5.13 118.95 114.20 2ys4 s ARG 20 Ca -0.30 -1.27 0.00 0.00 0.00 0.00 0.00 55.73 54.16 2ys4 s ARG 20 Cb 0.08 -1.28 0.00 0.00 0.00 0.00 0.00 34.95 33.75 2ys4 s ARG 20 CO 0.66 0.28 0.00 0.41 0.00 0.00 0.00 175.30 176.64 2ys4 n GLY 21 N 0.67 0.34 3.77 -3.53 0.00 -1.26 -5.03 105.19 100.15 2ys4 n GLY 21 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.72 3.34 -0.20 4.61 0.00 -1.26 -4.92 121.76 119.60 2ys4 s ALA 22 Ca 0.00 1.53 0.07 0.00 0.00 0.00 0.00 51.96 53.55 2ys4 s ALA 22 Cb 0.00 -3.61 -0.09 0.00 0.00 0.00 0.00 23.12 19.43 2ys4 s ALA 22 CO 0.00 -1.19 0.24 0.54 0.00 0.00 0.00 175.76 175.34 2ys4 n ARG 23 N -0.03 3.06 -3.54 0.00 1.74 -1.26 -5.02 116.66 111.60 2ys4 n ARG 23 Ca 0.04 -0.02 -0.20 0.00 -0.77 0.00 0.00 57.85 56.90 2ys4 n ARG 23 Cb 0.41 -0.95 0.07 0.00 -1.02 0.00 0.00 32.46 30.97 2ys4 n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ys4 n ALA 24 N -1.38 -1.86 -1.75 7.54 0.00 -1.26 -4.93 120.51 116.86 2ys4 n ALA 24 Ca 0.00 0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 2ys4 n ALA 24 Cb 0.13 -2.93 0.03 0.00 0.00 0.00 0.00 19.45 16.69 2ys4 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ys4 s ILE 25 N -3.42 2.39 0.41 0.00 -1.09 -1.26 -4.73 121.20 113.49 2ys4 s ILE 25 Ca 0.13 0.28 0.04 0.00 -2.23 0.00 0.00 60.65 58.87 2ys4 s ILE 25 Cb -0.06 -3.14 -0.03 0.00 -1.58 0.00 0.00 42.46 37.65 2ys4 s ILE 25 CO 0.75 -0.01 0.11 -0.76 -1.23 0.00 0.00 174.94 173.81 2ys4 s LEU 26 N -3.49 2.03 -0.32 2.97 2.01 -1.26 -1.52 118.68 119.10 2ys4 s LEU 26 Ca 0.71 -1.65 0.03 0.00 0.01 0.00 0.00 54.13 53.23 2ys4 s LEU 26 Cb -0.36 -0.18 0.09 0.00 0.01 0.00 0.00 46.19 45.75 2ys4 s LEU 26 CO 0.43 -0.90 0.02 -0.62 1.01 0.00 0.00 176.35 176.29 2ys4 s ASP 27 N -3.62 4.61 -0.00 2.29 -1.08 -1.21 -4.72 116.67 112.94 2ys4 s ASP 27 Ca 0.23 -1.94 0.05 0.00 -0.52 0.00 0.00 52.55 50.37 2ys4 s ASP 27 Cb 0.03 -1.52 -0.01 0.00 -1.46 0.00 0.00 42.92 39.95 2ys4 s ASP 27 CO 0.14 -0.35 -0.15 -0.36 0.52 0.00 0.00 175.17 174.97 2ys4 s PHE 28 N 1.02 1.34 0.70 -5.34 0.40 -1.26 -4.42 117.98 110.42 2ys4 s PHE 28 Ca 0.07 -0.27 -0.13 0.00 -0.60 0.00 0.00 56.93 56.00 2ys4 s PHE 28 Cb -0.19 -0.85 0.02 0.00 0.51 0.00 0.00 43.02 42.51 2ys4 s PHE 28 CO -0.09 -0.01 1.10 -1.25 0.70 0.00 0.00 175.22 175.67 2ys4 s PRO 29 N -0.47 2.60 0.26 0.24 0.04 -1.26 -4.94 135.00 131.47 2ys4 s PRO 29 Ca 0.05 1.31 -0.02 0.00 0.04 0.00 0.00 61.00 62.38 2ys4 s PRO 29 Cb -0.06 -1.93 0.42 0.00 0.04 0.00 0.00 34.50 32.97 2ys4 s PRO 29 CO -0.00 -1.39 1.86 -0.44 0.04 0.00 0.00 177.00 177.07 2ys4 h ASP 30 N -0.39 0.96 -5.04 6.66 5.19 -1.97 -3.46 116.42 118.37 2ys4 h ASP 30 Ca -0.46 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2ys4 h ASP 30 Cb 1.24 -0.18 -0.10 0.00 0.18 0.00 0.00 39.33 40.47 2ys4 h ASP 30 CO 0.53 0.59 0.13 -1.59 -3.12 0.00 0.00 179.24 175.78 2ys4 s LYS 31 N -6.03 1.44 -0.22 3.56 -2.85 -1.26 -3.31 119.74 111.08 2ys4 s LYS 31 Ca -0.12 -0.77 -0.10 0.00 -1.00 0.00 0.00 55.97 53.98 2ys4 s LYS 31 Cb 0.20 0.56 -0.05 0.00 -2.06 0.00 0.00 37.83 36.49 2ys4 s LYS 31 CO 0.81 -0.63 0.13 -1.17 0.10 0.00 0.00 175.35 174.58 2ys4 s LEU 32 N -2.85 4.06 -0.38 2.77 1.98 -0.37 -4.95 118.68 118.95 2ys4 s LEU 32 Ca 0.07 0.13 -0.08 0.00 -2.89 0.00 0.00 54.13 51.36 2ys4 s LEU 32 Cb -0.02 -2.06 0.06 0.00 0.66 0.00 0.00 46.19 44.82 2ys4 s LEU 32 CO -0.04 0.12 0.19 0.21 -1.89 0.00 0.00 176.35 174.94 2ys4 s ASN 33 N 0.71 5.53 -0.43 3.68 2.47 -1.26 -2.54 114.94 123.10 2ys4 s ASN 33 Ca 0.07 -1.29 -0.19 0.00 0.42 0.00 0.00 52.86 51.86 2ys4 s ASN 33 Cb -0.12 -1.94 0.02 0.00 -1.45 0.00 0.00 41.25 37.75 2ys4 s ASN 33 CO 0.01 -0.43 0.57 -0.36 -3.72 0.00 0.00 177.10 173.17 2ys4 s PHE 34 N 1.43 3.11 1.13 0.43 0.40 -1.25 -5.02 117.98 118.20 2ys4 s PHE 34 Ca 0.01 -0.13 -0.19 0.00 -0.60 0.00 0.00 56.93 56.02 2ys4 s PHE 34 Cb -0.21 -3.17 0.11 0.00 0.51 0.00 0.00 43.02 40.26 2ys4 s PHE 34 CO 0.03 -0.79 -0.00 0.43 0.70 0.00 0.00 175.22 175.59 2ys4 n SER 35 N 6.01 -2.40 -4.68 1.36 7.64 -1.26 -3.88 113.62 116.41 2ys4 n SER 35 Ca -0.04 -0.15 -0.51 0.00 1.01 0.00 0.00 58.87 59.18 2ys4 n SER 35 Cb 0.48 -0.94 -0.06 0.00 -1.01 0.00 0.00 64.21 62.68 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 -4.46 0.34 -4.16 0.44 -1.04 -1.26 -4.61 114.28 99.52 2ys4 n THR 36 Ca 0.01 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.05 61.86 2ys4 n THR 36 Cb 0.62 -1.50 -0.10 0.00 -1.82 0.00 0.00 70.33 67.53 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 -4.04 3.77 -0.05 0.00 0.04 -1.26 -2.48 135.00 130.98 2ys4 s PRO 38 Ca 0.24 1.78 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 2ys4 s PRO 38 Cb 0.07 -2.42 -0.22 0.00 0.04 0.00 0.00 34.50 31.98 2ys4 s PRO 38 CO 0.02 -0.55 1.10 -0.24 0.04 0.00 0.00 177.00 177.37 2ys4 h VAL 39 N 1.89 1.52 0.44 -0.36 3.04 -1.87 -3.38 116.25 117.54 2ys4 h VAL 39 Ca -0.49 -1.66 -0.02 0.00 -1.01 0.00 0.00 66.70 63.52 2ys4 h VAL 39 Cb 1.25 2.58 0.00 0.00 -2.01 0.00 0.00 31.29 33.11 2ys4 h VAL 39 CO 0.60 0.44 -0.21 0.11 -1.01 0.00 0.00 177.57 177.50 2ys4 h LYS 40 N -0.56 -0.57 -6.52 4.17 6.56 -1.84 -3.28 116.57 114.54 2ys4 h LYS 40 Ca -0.01 0.04 -0.39 0.00 -1.06 0.00 0.00 60.65 59.24 2ys4 h LYS 40 Cb 0.77 0.13 0.21 0.00 -0.57 0.00 0.00 32.23 32.76 2ys4 h LYS 40 CO 0.02 -0.38 -0.82 0.66 -2.06 0.00 0.00 179.45 176.87 2ys4 n TYR 41 N -4.86 -1.82 -4.06 -1.35 4.01 -1.26 -4.72 117.16 103.10 2ys4 n TYR 41 Ca -0.07 0.03 -0.26 0.00 -0.16 0.00 0.00 57.90 57.44 2ys4 n TYR 41 Cb 0.23 -1.50 -0.05 0.00 -0.31 0.00 0.00 39.34 37.72 2ys4 n TYR 41 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2ys4 s SER 42 N -1.96 5.67 -0.02 7.72 0.01 -1.26 -4.41 113.70 119.45 2ys4 s SER 42 Ca 0.51 -0.08 0.07 0.00 1.31 0.00 0.00 55.95 57.77 2ys4 s SER 42 Cb -0.10 -1.53 -0.02 0.00 0.21 0.00 0.00 66.02 64.59 2ys4 s SER 42 CO 0.57 0.06 -0.23 -0.89 0.41 0.00 0.00 173.24 173.16 2ys4 s THR 43 N -1.75 1.81 0.07 1.44 2.01 -0.99 -4.92 115.64 113.31 2ys4 s THR 43 Ca 0.32 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.38 2ys4 s THR 43 Cb -0.10 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 2ys4 s THR 43 CO 0.24 0.51 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.48 2ys4 s GLN 44 N -0.46 0.74 0.15 4.92 1.11 -1.26 -1.35 119.66 123.50 2ys4 s GLN 44 Ca 0.07 -0.97 -0.19 0.00 0.01 0.00 0.00 55.36 54.27 2ys4 s GLN 44 Cb -0.10 -0.53 0.05 0.00 -1.01 0.00 0.00 33.01 31.42 2ys4 s GLN 44 CO -0.00 0.10 0.50 0.15 0.01 0.00 0.00 175.29 176.05 2ys4 s LYS 45 N -2.12 1.19 -0.04 2.91 1.02 -1.11 -5.01 119.74 116.58 2ys4 s LYS 45 Ca -0.02 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.37 2ys4 s LYS 45 Cb -0.07 0.53 -0.03 0.00 -0.52 0.00 0.00 37.83 37.74 2ys4 s LYS 45 CO 0.01 -0.49 -0.03 0.42 -0.92 0.00 0.00 175.35 174.33 2ys4 s ILE 46 N -3.78 3.95 -0.22 2.17 -1.09 -1.26 -1.72 121.20 119.24 2ys4 s ILE 46 Ca 0.02 -0.53 -0.01 0.00 -2.23 0.00 0.00 60.65 57.91 2ys4 s ILE 46 Cb 0.00 -2.69 0.06 0.00 -1.58 0.00 0.00 42.46 38.26 2ys4 s ILE 46 CO -0.12 0.49 -0.02 -0.22 -1.23 0.00 0.00 174.94 173.85 2ys4 s LEU 47 N -1.16 1.99 0.44 2.97 2.96 0.27 -4.92 118.68 121.23 2ys4 s LEU 47 Ca 0.16 -1.03 -0.22 0.00 -0.22 0.00 0.00 54.13 52.81 2ys4 s LEU 47 Cb -0.11 -0.93 -0.09 0.00 0.50 0.00 0.00 46.19 45.56 2ys4 s LEU 47 CO 0.05 -0.27 1.06 -0.22 -1.32 0.00 0.00 176.35 175.66 2ys4 s LEU 48 N 1.59 4.00 -0.09 -0.68 2.96 -1.26 -0.86 118.68 124.34 2ys4 s LEU 48 Ca -0.04 2.03 -0.04 0.00 -0.22 0.00 0.00 54.13 55.86 2ys4 s LEU 48 Cb -0.18 -4.35 0.04 0.00 0.50 0.00 0.00 46.19 42.20 2ys4 s LEU 48 CO -0.07 -0.67 0.21 -0.69 -1.32 0.00 0.00 176.35 173.81 2ys4 s VAL 49 N -1.77 -0.06 -0.20 1.68 1.01 0.17 -4.92 120.40 116.31 2ys4 s VAL 49 Ca 0.63 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.79 2ys4 s VAL 49 Cb -0.21 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 35.88 2ys4 s VAL 49 CO 0.25 0.07 -0.18 -0.60 0.00 0.00 0.00 175.10 174.64 2ys4 s ARG 50 N 1.27 2.82 -0.50 2.72 3.52 -1.26 -0.53 118.95 126.99 2ys4 s ARG 50 Ca -0.09 -0.94 -0.27 0.00 -0.13 0.00 0.00 55.73 54.31 2ys4 s ARG 50 Cb -0.11 -2.63 -0.04 0.00 -1.56 0.00 0.00 34.95 30.61 2ys4 s ARG 50 CO -0.08 -0.29 2.09 1.21 -0.81 0.00 0.00 175.30 177.43 2ys4 s ASN 51 N 1.25 5.04 -0.02 -2.12 2.47 -1.13 -3.30 114.94 117.12 2ys4 s ASN 51 Ca 0.02 0.87 0.12 0.00 0.42 0.00 0.00 52.86 54.30 2ys4 s ASN 51 Cb -0.14 -2.52 0.39 0.00 -1.45 0.00 0.00 41.25 37.53 2ys4 s ASN 51 CO -0.11 -2.46 1.29 2.30 -3.72 0.00 0.00 177.10 174.41 2ys4 n ILE 52 N 7.59 0.75 -0.70 -5.21 -5.35 -0.86 -2.94 119.36 112.64 2ys4 n ILE 52 Ca 0.28 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 2ys4 n ILE 52 Cb 0.52 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 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 1.03 -0.95 0.44 3.28 0.00 -0.58 -4.74 105.19 103.68 2ys4 n GLY 53 Ca 0.14 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.99 2.96 -3.68 1.61 6.94 -1.26 -4.80 115.26 115.05 2ys4 n ASN 54 Ca 0.00 -2.80 -0.03 0.00 -0.02 0.00 0.00 54.58 51.73 2ys4 n ASN 54 Cb 0.00 -0.40 -0.01 0.00 -2.36 0.00 0.00 39.78 37.01 2ys4 n ASN 54 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2ys4 s LYS 55 N -2.40 0.95 -0.30 -3.83 2.47 -1.26 -4.92 119.74 110.45 2ys4 s LYS 55 Ca 0.31 -0.49 -0.35 0.00 -1.56 0.00 0.00 55.97 53.88 2ys4 s LYS 55 Cb 0.25 0.34 -0.11 0.00 -1.46 0.00 0.00 37.83 36.85 2ys4 s LYS 55 CO 0.06 -0.43 2.12 0.27 0.16 0.00 0.00 175.35 177.53 2ys4 n ASN 56 N -0.42 2.41 -4.77 1.43 6.94 -1.26 -4.50 115.26 115.10 2ys4 n ASN 56 Ca -0.07 0.52 -0.40 0.00 -0.02 0.00 0.00 54.58 54.62 2ys4 n ASN 56 Cb 0.61 -1.29 -0.06 0.00 -2.36 0.00 0.00 39.78 36.68 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 6.68 3.42 -0.30 -2.53 0.00 -0.26 -4.85 121.76 123.92 2ys4 s ALA 57 Ca 1.06 0.34 0.01 0.00 0.00 0.00 0.00 51.96 53.36 2ys4 s ALA 57 Cb -0.81 -2.97 0.09 0.00 0.00 0.00 0.00 23.12 19.43 2ys4 s ALA 57 CO 0.50 0.22 0.06 0.08 0.00 0.00 0.00 175.76 176.61 2ys4 s VAL 58 N -0.79 1.33 0.06 0.00 1.01 -1.26 -1.90 120.40 118.85 2ys4 s VAL 58 Ca 0.37 -1.57 0.04 0.00 0.00 0.00 0.00 61.98 60.82 2ys4 s VAL 58 Cb -0.22 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2ys4 s VAL 58 CO 0.25 -0.53 -0.04 0.72 0.00 0.00 0.00 175.10 175.50 2ys4 s PHE 59 N 1.41 2.92 -0.28 5.22 -0.71 -1.19 -1.60 117.98 123.75 2ys4 s PHE 59 Ca 0.07 -0.04 -0.02 0.00 -1.04 0.00 0.00 56.93 55.89 2ys4 s PHE 59 Cb -0.18 -1.55 0.09 0.00 -1.21 0.00 0.00 43.02 40.17 2ys4 s PHE 59 CO -0.16 0.44 0.10 -1.58 -1.34 0.00 0.00 175.22 172.67 2ys4 s HIS 60 N -1.17 1.10 0.41 3.49 2.46 0.41 -2.96 115.29 119.02 2ys4 s HIS 60 Ca 0.22 -1.25 -0.23 0.00 0.47 0.00 0.00 55.06 54.26 2ys4 s HIS 60 Cb -0.11 -1.30 -0.10 0.00 -0.13 0.00 0.00 32.58 30.94 2ys4 s HIS 60 CO 0.13 -0.80 0.99 0.42 -2.47 0.00 0.00 174.74 173.01 2ys4 s ILE 61 N 1.83 4.09 -0.05 0.89 1.01 -0.38 -1.75 121.20 126.84 2ys4 s ILE 61 Ca 0.07 1.45 -0.01 0.00 0.00 0.00 0.00 60.65 62.16 2ys4 s ILE 61 Cb -0.17 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 38.66 2ys4 s ILE 61 CO -0.25 -0.14 0.00 -0.54 0.00 0.00 0.00 174.94 174.02 2ys4 s LYS 62 N -2.81 0.45 0.16 2.79 -0.14 -1.06 -4.73 119.74 114.41 2ys4 s LYS 62 Ca 0.60 0.12 -0.24 0.00 -1.36 0.00 0.00 55.97 55.08 2ys4 s LYS 62 Cb -0.15 -0.76 0.06 0.00 -1.68 0.00 0.00 37.83 35.30 2ys4 s LYS 62 CO 0.20 -0.24 0.88 -0.08 -0.76 0.00 0.00 175.35 175.35 2ys4 s THR 63 N 1.63 0.00 0.10 2.17 -1.32 -1.26 -4.25 115.64 112.71 2ys4 s THR 63 Ca -0.01 -0.62 0.01 0.00 -1.21 0.00 0.00 61.69 59.87 2ys4 s THR 63 Cb -0.13 -1.81 -0.04 0.00 -1.51 0.00 0.00 72.50 69.01 2ys4 s THR 63 CO -0.03 0.00 -0.05 0.00 -2.21 0.00 0.00 174.62 172.33 2ys4 n ARG 65 N -0.04 -0.01 0.00 0.00 1.85 -1.26 -1.27 116.66 115.94 2ys4 n ARG 65 Ca -0.12 0.05 0.08 0.00 -1.00 0.00 0.00 57.85 56.86 2ys4 n ARG 65 Cb 0.61 -1.86 0.44 0.00 -1.05 0.00 0.00 32.46 30.60 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 -1.29 0.43 -3.37 2.89 -0.04 -1.26 -4.98 135.00 127.38 2ys4 n PRO 66 Ca 0.08 0.03 -0.39 0.00 -0.04 0.00 0.00 63.50 63.18 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 -2.12 3.28 -0.09 0.54 0.08 -0.40 -2.83 117.98 116.43 2ys4 s PHE 67 Ca 0.21 0.49 -0.22 0.00 0.12 0.00 0.00 56.93 57.53 2ys4 s PHE 67 Cb 0.11 -2.58 0.05 0.00 -0.57 0.00 0.00 43.02 40.03 2ys4 s PHE 67 CO 0.19 -0.19 0.53 -1.12 -0.10 0.00 0.00 175.22 174.53 2ys4 s SER 68 N 1.49 -0.50 0.12 1.36 0.01 -0.18 -2.33 113.70 113.67 2ys4 s SER 68 Ca 0.17 0.67 0.01 0.00 1.31 0.00 0.00 55.95 58.10 2ys4 s SER 68 Cb -0.15 0.67 -0.04 0.00 0.21 0.00 0.00 66.02 66.71 2ys4 s SER 68 CO 0.09 -0.42 -0.01 0.27 0.41 0.00 0.00 173.24 173.58 2ys4 s ILE 69 N -0.74 0.46 -0.24 1.44 -0.00 -1.26 0.13 121.20 120.99 2ys4 s ILE 69 Ca -0.08 -1.91 -0.22 0.00 -0.00 0.00 0.00 60.65 58.44 2ys4 s ILE 69 Cb -0.03 -1.85 0.06 0.00 -0.00 0.00 0.00 42.46 40.65 2ys4 s ILE 69 CO 0.05 -0.70 0.64 -0.70 -0.00 0.00 0.00 174.94 174.23 2ys4 s GLU 70 N -3.92 0.74 0.41 0.37 2.12 0.77 -3.76 118.70 115.43 2ys4 s GLU 70 Ca 0.17 0.91 -0.25 0.00 0.36 0.00 0.00 54.97 56.16 2ys4 s GLU 70 Cb 0.07 0.34 -0.08 0.00 0.26 0.00 0.00 34.13 34.71 2ys4 s GLU 70 CO -0.02 -0.10 1.19 -1.25 -0.54 0.00 0.00 175.26 174.54 2ys4 s PRO 71 N 0.45 4.01 0.45 4.30 0.04 -1.26 -2.13 135.00 140.86 2ys4 s PRO 71 Ca -0.01 1.87 0.18 0.00 0.04 0.00 0.00 61.00 63.08 2ys4 s PRO 71 Cb -0.05 -2.65 1.08 0.00 0.04 0.00 0.00 34.50 32.92 2ys4 s PRO 71 CO -0.01 -0.37 1.99 0.00 0.04 0.00 0.00 177.00 178.65 2ys4 h ALA 72 N 2.57 1.53 -3.09 8.56 0.00 -1.90 -3.44 119.26 123.49 2ys4 h ALA 72 Ca -0.49 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.07 2ys4 h ALA 72 Cb 1.24 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.77 2ys4 h ALA 72 CO 0.62 0.25 -0.61 -1.50 0.00 0.00 0.00 179.25 178.01 2ys4 s ILE 73 N -4.44 0.07 0.15 0.00 2.07 -1.26 -1.24 121.20 116.53 2ys4 s ILE 73 Ca -0.03 -0.54 -0.25 0.00 -1.41 0.00 0.00 60.65 58.41 2ys4 s ILE 73 Cb 0.15 -0.27 0.06 0.00 0.13 0.00 0.00 42.46 42.53 2ys4 s ILE 73 CO 0.67 -0.30 0.90 -0.83 -1.91 0.00 0.00 174.94 173.48 2ys4 s GLY 74 N -0.95 -0.27 -0.07 1.50 0.00 -1.16 -5.05 107.32 101.33 2ys4 s GLY 74 Ca -0.10 0.22 0.05 0.00 0.00 0.00 0.00 44.72 44.89 2ys4 s GLY 74 CO 0.00 0.05 -0.23 -0.51 0.00 0.00 0.00 173.10 172.41 2ys4 s THR 75 N -3.36 1.96 -0.02 0.90 -4.23 -1.26 -3.17 115.64 106.46 2ys4 s THR 75 Ca 0.11 -0.99 0.07 0.00 -1.18 0.00 0.00 61.69 59.69 2ys4 s THR 75 Cb -0.02 -1.68 -0.02 0.00 1.34 0.00 0.00 72.50 72.12 2ys4 s THR 75 CO 0.00 0.54 -0.22 -0.22 -0.54 0.00 0.00 174.62 174.18 2ys4 s LEU 76 N 0.07 2.05 0.18 4.79 2.96 -0.80 -4.99 118.68 122.95 2ys4 s LEU 76 Ca -0.10 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 2ys4 s LEU 76 Cb -0.15 -1.15 -0.05 0.00 0.50 0.00 0.00 46.19 45.34 2ys4 s LEU 76 CO 0.06 0.27 0.39 0.20 -1.32 0.00 0.00 176.35 175.95 2ys4 s ASN 77 N -0.55 6.42 0.53 3.68 0.01 -1.26 -1.11 114.94 122.67 2ys4 s ASN 77 Ca 0.09 0.47 -0.22 0.00 -0.71 0.00 0.00 52.86 52.49 2ys4 s ASN 77 Cb -0.09 -2.04 -0.05 0.00 0.41 0.00 0.00 41.25 39.48 2ys4 s ASN 77 CO -0.01 -0.02 1.35 0.68 -1.51 0.00 0.00 177.10 177.60 2ys4 s VAL 78 N -1.81 2.15 0.00 1.60 -7.23 -1.26 -2.12 120.40 111.73 2ys4 s VAL 78 Ca 0.39 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.68 2ys4 s VAL 78 Cb -0.11 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.77 2ys4 s VAL 78 CO 0.28 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 2ys4 n GLY 79 N 0.69 3.00 3.88 2.32 0.00 -1.15 -4.97 105.19 108.95 2ys4 n GLY 79 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 2.97 0.46 1.61 0.41 -0.90 -5.00 118.70 118.25 2ys4 s GLU 80 Ca 0.00 -1.07 0.03 0.00 -0.41 0.00 0.00 54.97 53.51 2ys4 s GLU 80 Cb 0.00 -2.62 -0.02 0.00 -1.78 0.00 0.00 34.13 29.71 2ys4 s GLU 80 CO 0.00 0.28 0.06 -1.12 -0.49 0.00 0.00 175.26 173.99 2ys4 s SER 81 N -3.95 3.50 0.19 -0.19 0.01 -1.26 -2.85 113.70 109.15 2ys4 s SER 81 Ca 0.37 -1.66 -0.20 0.00 1.31 0.00 0.00 55.95 55.77 2ys4 s SER 81 Cb -0.08 0.50 0.04 0.00 0.21 0.00 0.00 66.02 66.70 2ys4 s SER 81 CO 0.27 -0.89 0.56 0.00 0.41 0.00 0.00 173.24 173.60 2ys4 s MET 82 N -3.79 1.37 -0.16 12.44 0.23 0.31 -4.96 119.30 124.74 2ys4 s MET 82 Ca 0.15 -0.73 0.02 0.00 -1.03 0.00 0.00 55.69 54.09 2ys4 s MET 82 Cb 0.02 0.55 0.02 0.00 -1.53 0.00 0.00 34.83 33.89 2ys4 s MET 82 CO 0.09 -0.59 -0.21 -0.65 -2.03 0.00 0.00 175.02 171.63 2ys4 s GLN 83 N -3.83 2.97 0.23 3.16 -0.21 -1.26 -0.66 119.66 120.06 2ys4 s GLN 83 Ca 0.06 -0.83 0.06 0.00 0.02 0.00 0.00 55.36 54.67 2ys4 s GLN 83 Cb -0.01 -2.48 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 2ys4 s GLN 83 CO -0.06 -0.12 0.22 -0.51 -2.12 0.00 0.00 175.29 172.70 2ys4 s LEU 84 N 1.07 3.95 -0.12 2.90 1.43 -0.04 -4.89 118.68 122.98 2ys4 s LEU 84 Ca -0.01 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2ys4 s LEU 84 Cb -0.14 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.59 2ys4 s LEU 84 CO -0.08 -0.02 -0.22 -1.61 0.23 0.00 0.00 176.35 174.66 2ys4 s GLU 85 N -3.68 2.94 -0.23 1.70 2.02 -0.91 -0.56 118.70 119.98 2ys4 s GLU 85 Ca 0.33 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.50 2ys4 s GLU 85 Cb -0.09 -2.32 0.04 0.00 0.10 0.00 0.00 34.13 31.86 2ys4 s GLU 85 CO 0.26 0.06 -0.13 0.08 0.02 0.00 0.00 175.26 175.55 2ys4 s VAL 86 N 0.64 2.33 -0.11 2.63 1.01 -0.70 -0.16 120.40 126.04 2ys4 s VAL 86 Ca -0.12 -1.22 -0.06 0.00 0.00 0.00 0.00 61.98 60.59 2ys4 s VAL 86 Cb -0.16 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2ys4 s VAL 86 CO 0.02 0.24 0.11 -0.70 0.00 0.00 0.00 175.10 174.77 2ys4 s GLU 87 N 1.23 3.36 -0.27 2.72 2.12 0.35 -2.75 118.70 125.44 2ys4 s GLU 87 Ca -0.01 -0.19 -0.01 0.00 0.36 0.00 0.00 54.97 55.12 2ys4 s GLU 87 Cb -0.17 -3.11 0.16 0.00 0.26 0.00 0.00 34.13 31.28 2ys4 s GLU 87 CO -0.08 0.76 0.49 0.12 -0.54 0.00 0.00 175.26 176.01 2ys4 s PHE 88 N -0.98 -1.24 -0.33 5.30 5.36 -0.46 -1.01 117.98 124.62 2ys4 s PHE 88 Ca 0.15 1.17 0.03 0.00 -0.96 0.00 0.00 56.93 57.31 2ys4 s PHE 88 Cb -0.12 0.25 0.09 0.00 -0.34 0.00 0.00 43.02 42.91 2ys4 s PHE 88 CO 0.04 -0.84 0.04 -2.00 -1.46 0.00 0.00 175.22 171.00 2ys4 s GLU 89 N 2.70 1.70 1.02 10.12 2.12 -1.13 -2.34 118.70 132.89 2ys4 s GLU 89 Ca 0.16 -1.76 -0.13 0.00 0.36 0.00 0.00 54.97 53.60 2ys4 s GLU 89 Cb -0.15 -3.20 0.20 0.00 0.26 0.00 0.00 34.13 31.25 2ys4 s GLU 89 CO -0.20 -0.88 1.09 -1.25 -0.54 0.00 0.00 175.26 173.48 2ys4 s PRO 90 N 0.97 0.26 -0.02 4.30 0.04 -1.24 -4.77 135.00 134.55 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 -0.20 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 2ys4 s PRO 90 CO -0.07 -2.83 -0.01 1.04 0.04 0.00 0.00 177.00 175.17 2ys4 n GLN 91 N -4.24 1.34 -4.15 4.56 3.00 -1.25 -4.22 117.38 112.43 2ys4 n GLN 91 Ca 0.05 0.01 -0.27 0.00 -0.01 0.00 0.00 57.00 56.78 2ys4 n GLN 91 Cb 0.57 -1.05 -0.07 0.00 0.00 0.00 0.00 30.24 29.69 2ys4 n GLN 91 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2ys4 s SER 92 N -3.89 5.07 0.27 1.08 0.01 -1.26 -4.68 113.70 110.29 2ys4 s SER 92 Ca -0.03 -0.27 -0.29 0.00 1.31 0.00 0.00 55.95 56.67 2ys4 s SER 92 Cb 0.01 -1.19 -0.09 0.00 0.21 0.00 0.00 66.02 64.95 2ys4 s SER 92 CO 0.07 0.09 0.95 -0.69 0.41 0.00 0.00 173.24 174.07 2ys4 s VAL 93 N -1.69 4.09 -4.65 3.43 1.01 -1.26 -4.90 120.40 116.43 2ys4 s VAL 93 Ca 0.29 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.25 2ys4 s VAL 93 Cb -0.10 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.07 2ys4 s VAL 93 CO 0.20 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2ys4 n GLY 94 N 1.19 0.95 3.71 4.51 0.00 -1.26 -5.02 105.19 109.27 2ys4 n GLY 94 Ca -0.01 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 2ys4 n GLY 94 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ys4 s ASP 95 N -4.00 6.88 -0.21 1.61 -4.77 -1.26 -1.51 116.67 113.41 2ys4 s ASP 95 Ca 0.00 1.06 0.01 0.00 -3.30 0.00 0.00 52.55 50.32 2ys4 s ASP 95 Cb 0.00 -2.37 0.03 0.00 -1.09 0.00 0.00 42.92 39.49 2ys4 s ASP 95 CO 0.00 -0.10 -0.16 -1.00 0.70 0.00 0.00 175.17 174.61 2ys4 s HIS 96 N 0.84 2.94 -0.03 2.11 3.76 -1.26 -5.00 115.29 118.65 2ys4 s HIS 96 Ca 0.34 -1.80 0.05 0.00 -0.15 0.00 0.00 55.06 53.49 2ys4 s HIS 96 Cb -0.17 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.57 2ys4 s HIS 96 CO 0.15 -0.82 -0.18 -1.54 -0.85 0.00 0.00 174.74 171.51 2ys4 s SER 97 N 1.25 2.14 0.00 1.40 1.04 -1.26 -2.19 113.70 116.07 2ys4 s SER 97 Ca 0.01 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.10 2ys4 s SER 97 Cb -0.15 -0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.57 2ys4 s SER 97 CO -0.10 0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.92 2ys4 n GLY 98 N 2.86 5.43 3.54 7.32 0.00 -1.12 -4.88 105.19 118.33 2ys4 n GLY 98 Ca -0.16 -1.30 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 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 1.78 0.66 -0.29 1.61 3.52 -1.26 -1.24 118.95 123.73 2ys4 s ARG 99 Ca 0.00 1.03 -0.09 0.00 -0.13 0.00 0.00 55.73 56.55 2ys4 s ARG 99 Cb 0.00 0.18 -0.01 0.00 -1.56 0.00 0.00 34.95 33.56 2ys4 s ARG 99 CO 0.00 -0.13 0.12 -0.51 -0.81 0.00 0.00 175.30 173.97 2ys4 s LEU 100 N 1.17 3.89 -0.36 -0.88 1.43 0.65 -4.88 118.68 119.70 2ys4 s LEU 100 Ca -0.07 -0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 52.45 2ys4 s LEU 100 Cb -0.05 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 2ys4 s LEU 100 CO -0.12 -0.15 0.28 -0.63 0.23 0.00 0.00 176.35 175.97 2ys4 s ILE 101 N 1.60 5.25 -0.37 -0.59 1.01 -1.26 -1.15 121.20 125.70 2ys4 s ILE 101 Ca 0.05 -0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.29 2ys4 s ILE 101 Cb -0.16 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.52 2ys4 s ILE 101 CO 0.05 -0.12 0.23 -0.69 0.00 0.00 0.00 174.94 174.42 2ys4 s VAL 102 N 1.78 4.83 -0.24 2.92 1.01 0.11 -2.56 120.40 128.25 2ys4 s VAL 102 Ca 0.07 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 2ys4 s VAL 102 Cb -0.18 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2ys4 s VAL 102 CO 0.11 -0.19 0.34 0.00 0.00 0.00 0.00 175.10 175.35 2ys4 s TYR 104 N 1.59 3.45 0.17 0.00 1.51 -0.41 -0.45 117.35 123.22 2ys4 s TYR 104 Ca 0.15 0.90 -0.11 0.00 -1.01 0.00 0.00 57.07 57.00 2ys4 s TYR 104 Cb -0.15 -2.30 0.06 0.00 -0.11 0.00 0.00 41.96 39.45 2ys4 s TYR 104 CO 0.08 0.08 1.65 0.22 -1.11 0.00 0.00 175.55 176.47 2ys4 h ASP 105 N 1.74 0.95 -0.40 2.29 3.58 -1.63 -3.06 116.42 119.89 2ys4 h ASP 105 Ca -0.47 -0.27 0.04 0.00 0.42 0.00 0.00 57.03 56.75 2ys4 h ASP 105 Cb 1.18 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.94 2ys4 h ASP 105 CO 0.66 0.98 0.16 0.71 -2.88 0.00 0.00 179.24 178.87 2ys4 h THR 106 N 0.88 0.91 0.00 2.25 1.35 -1.93 -3.46 112.91 112.91 2ys4 h THR 106 Ca 0.17 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 2ys4 h THR 106 Cb 0.45 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 2ys4 h THR 106 CO 0.02 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 2ys4 n GLY 107 N -1.23 -0.06 3.37 5.82 0.00 -1.16 -5.18 105.19 106.76 2ys4 n GLY 107 Ca 0.02 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 1.53 -0.16 1.61 0.41 -1.25 -4.97 118.70 115.87 2ys4 s GLU 108 Ca 0.00 -1.85 -0.08 0.00 -0.41 0.00 0.00 54.97 52.63 2ys4 s GLU 108 Cb 0.00 -0.43 0.06 0.00 -1.78 0.00 0.00 34.13 31.98 2ys4 s GLU 108 CO 0.00 -0.29 0.38 0.21 -0.49 0.00 0.00 175.26 175.06 2ys4 s LYS 109 N -3.95 0.34 0.00 1.61 2.20 -1.25 -1.28 119.74 117.41 2ys4 s LYS 109 Ca 0.36 0.76 0.08 0.00 -0.36 0.00 0.00 55.97 56.82 2ys4 s LYS 109 Cb 0.07 -0.01 -0.02 0.00 -1.51 0.00 0.00 37.83 36.36 2ys4 s LYS 109 CO 0.15 -0.17 -0.25 0.08 -0.36 0.00 0.00 175.35 174.80 2ys4 s VAL 110 N 1.52 2.22 -0.07 4.02 1.01 0.02 -4.92 120.40 124.19 2ys4 s VAL 110 Ca -0.08 -1.18 0.04 0.00 0.00 0.00 0.00 61.98 60.75 2ys4 s VAL 110 Cb -0.09 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2ys4 s VAL 110 CO -0.12 0.49 -0.19 -0.36 0.00 0.00 0.00 175.10 174.92 2ys4 s PHE 111 N -0.71 2.60 -0.19 5.22 0.40 -1.25 0.05 117.98 124.09 2ys4 s PHE 111 Ca 0.11 -0.53 -0.04 0.00 -0.60 0.00 0.00 56.93 55.87 2ys4 s PHE 111 Cb -0.10 -1.66 0.06 0.00 0.51 0.00 0.00 43.02 41.83 2ys4 s PHE 111 CO 0.01 -0.09 0.07 0.08 0.70 0.00 0.00 175.22 175.99 2ys4 s VAL 112 N -0.22 0.16 0.80 -0.44 1.01 -0.30 -4.91 120.40 116.49 2ys4 s VAL 112 Ca -0.01 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 2ys4 s VAL 112 Cb -0.13 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 2ys4 s VAL 112 CO 0.03 -0.30 0.53 -1.20 0.00 0.00 0.00 175.10 174.15 2ys4 n SER 113 N 5.18 -1.35 -4.51 3.32 7.64 -1.21 -0.25 113.62 122.44 2ys4 n SER 113 Ca -0.07 0.51 -0.25 0.00 1.01 0.00 0.00 58.87 60.07 2ys4 n SER 113 Cb 0.48 -1.23 -0.10 0.00 -1.01 0.00 0.00 64.21 62.34 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 -0.76 2.67 0.24 -3.43 1.43 -0.37 -1.24 118.68 117.22 2ys4 s LEU 114 Ca 0.63 -1.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.40 2ys4 s LEU 114 Cb -0.30 -0.95 0.01 0.00 0.03 0.00 0.00 46.19 44.98 2ys4 s LEU 114 CO 0.61 -0.19 0.55 -0.31 0.23 0.00 0.00 176.35 177.24 2ys4 s TYR 115 N -2.66 0.06 0.00 0.29 2.02 -1.05 -2.81 117.35 113.19 2ys4 s TYR 115 Ca 0.32 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 2ys4 s TYR 115 Cb 0.02 0.39 0.00 0.00 -0.40 0.00 0.00 41.96 41.96 2ys4 s TYR 115 CO 0.15 -1.03 0.00 0.41 -1.57 0.00 0.00 175.55 173.52 2ys4 n GLY 116 N -0.38 -1.81 3.50 0.71 0.00 -0.93 -3.97 105.19 102.31 2ys4 n GLY 116 Ca -0.05 0.73 -0.43 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 0.83 -1.92 4.61 0.00 -1.25 -4.15 120.51 118.62 2ys4 n ALA 117 Ca 0.00 -0.43 -0.28 0.00 0.00 0.00 0.00 53.44 52.73 2ys4 n ALA 117 Cb 0.00 -2.73 0.11 0.00 0.00 0.00 0.00 19.45 16.83 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 9.47 2.74 -0.21 0.00 0.00 -0.57 -3.12 121.76 130.07 2ys4 s ALA 118 Ca 1.11 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 2ys4 s ALA 118 Cb -0.69 -2.76 0.06 0.00 0.00 0.00 0.00 23.12 19.73 2ys4 s ALA 118 CO 0.40 -1.76 0.55 0.96 0.00 0.00 0.00 175.76 175.91 2ys4 s ILE 119 N -3.55 -0.00 -2.00 0.00 -5.25 -1.03 -4.09 121.20 105.27 2ys4 s ILE 119 Ca 0.65 0.01 0.04 0.00 -0.99 0.00 0.00 60.65 60.36 2ys4 s ILE 119 Cb -0.09 -0.78 0.11 0.00 2.95 0.00 0.00 42.46 44.65 2ys4 s ILE 119 CO 0.49 0.01 1.02 -0.67 -1.79 0.00 0.00 174.94 174.00 2ys4 n ASP 120 N 3.22 0.00 -2.75 4.36 2.03 -1.26 -3.05 116.55 119.10 2ys4 n ASP 120 Ca -0.16 -1.62 -0.21 0.00 0.52 0.00 0.00 54.79 53.31 2ys4 n ASP 120 Cb 0.56 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.98 2ys4 n ASP 120 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2ys4 n MET 121 N -0.57 -3.36 0.00 -0.67 2.81 -1.26 -5.05 117.12 109.03 2ys4 n MET 121 Ca 0.03 0.92 0.00 0.00 -1.81 0.00 0.00 57.70 56.84 2ys4 n MET 121 Cb 0.01 -5.68 0.00 0.00 -0.71 0.00 0.00 33.22 26.84 2ys4 n MET 121 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77