#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yst n SER 2 N 0.00 0.73 -3.37 1.61 7.64 -1.26 -4.87 113.62 114.10 2yst n SER 2 Ca 0.00 0.68 0.02 0.00 1.01 0.00 0.00 58.87 60.58 2yst n SER 2 Cb 0.00 -0.77 -0.04 0.00 -1.01 0.00 0.00 64.21 62.39 2yst n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yst s SER 3 N 4.57 -0.40 0.00 6.43 1.04 -1.26 -5.15 113.70 118.93 2yst s SER 3 Ca 1.00 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.99 2yst s SER 3 Cb -1.28 1.42 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2yst s SER 3 CO 0.59 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.34 2yst n GLY 4 N 4.66 -0.49 3.44 7.32 0.00 -1.26 -5.13 105.19 113.73 2yst n GLY 4 Ca -0.09 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2yst n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yst s SER 5 N -4.00 4.17 -0.18 1.61 0.01 -1.26 -5.11 113.70 108.95 2yst s SER 5 Ca 0.00 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.04 2yst s SER 5 Cb 0.00 -1.32 0.03 0.00 0.21 0.00 0.00 66.02 64.94 2yst s SER 5 CO 0.00 0.25 -0.13 -0.44 0.41 0.00 0.00 173.24 173.33 2yst s SER 6 N -0.15 3.13 0.66 2.44 0.01 -1.26 -5.13 113.70 113.40 2yst s SER 6 Ca -0.00 -0.72 -0.09 0.00 1.31 0.00 0.00 55.95 56.45 2yst s SER 6 Cb -0.13 -1.26 0.01 0.00 0.21 0.00 0.00 66.02 64.84 2yst s SER 6 CO 0.03 -0.09 1.02 -0.83 0.41 0.00 0.00 173.24 173.78 2yst s GLY 7 N 1.40 1.62 -0.31 3.44 0.00 -1.26 -4.96 107.32 107.25 2yst s GLY 7 Ca 0.02 -0.46 -0.28 0.00 0.00 0.00 0.00 44.72 44.00 2yst s GLY 7 CO -0.10 -0.13 2.03 -1.31 0.00 0.00 0.00 173.10 173.59 2yst s ASN 8 N -4.33 5.56 -0.36 1.64 -0.87 -1.26 -4.94 114.94 110.38 2yst s ASN 8 Ca 0.56 1.47 0.03 0.00 -1.57 0.00 0.00 52.86 53.36 2yst s ASN 8 Cb -0.11 -2.52 0.10 0.00 -0.02 0.00 0.00 41.25 38.71 2yst s ASN 8 CO 0.49 -1.95 0.09 1.51 -2.57 0.00 0.00 177.10 174.68 2yst s ASP 9 N 7.61 4.85 -0.84 -1.22 -4.77 -1.26 -5.03 116.67 116.01 2yst s ASP 9 Ca 0.89 -2.17 0.00 0.00 -3.30 0.00 0.00 52.55 47.97 2yst s ASP 9 Cb -0.26 -1.67 0.21 0.00 -1.09 0.00 0.00 42.92 40.11 2yst s ASP 9 CO 0.33 -0.41 0.70 0.54 0.70 0.00 0.00 175.17 177.03 2yst s ASN 10 N 1.03 5.66 0.60 2.11 4.22 -1.26 -5.08 114.94 122.22 2yst s ASN 10 Ca 0.11 -3.77 -0.18 0.00 -2.14 0.00 0.00 52.86 46.88 2yst s ASN 10 Cb -0.20 -1.83 -0.14 0.00 1.28 0.00 0.00 41.25 40.36 2yst s ASN 10 CO -0.07 -0.15 -0.16 -1.20 -2.04 0.00 0.00 177.10 173.48 2yst n SER 11 N 2.21 -3.76 -4.56 3.54 7.64 -1.26 -4.70 113.62 112.72 2yst n SER 11 Ca 0.21 0.58 -0.27 0.00 1.01 0.00 0.00 58.87 60.40 2yst n SER 11 Cb 0.36 -0.87 -0.05 0.00 -1.01 0.00 0.00 64.21 62.64 2yst n SER 11 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2yst s PRO 12 N -1.32 2.54 -0.11 1.43 0.04 -1.26 -4.95 135.00 131.37 2yst s PRO 12 Ca 0.55 -0.52 -0.11 0.00 0.04 0.00 0.00 61.00 60.96 2yst s PRO 12 Cb -0.44 -5.11 -0.05 0.00 0.04 0.00 0.00 34.50 28.95 2yst s PRO 12 CO 0.68 -3.53 0.25 0.50 0.04 0.00 0.00 177.00 174.94 2yst s ARG 13 N 6.86 3.88 1.14 4.56 6.06 -1.26 -4.33 118.95 135.87 2yst s ARG 13 Ca 0.70 0.06 -0.15 0.00 -2.50 0.00 0.00 55.73 53.84 2yst s ARG 13 Cb -0.05 -3.29 0.26 0.00 0.06 0.00 0.00 34.95 31.93 2yst s ARG 13 CO 0.03 0.54 1.05 -0.06 -2.50 0.00 0.00 175.30 174.36 2yst s PHE 14 N -0.44 1.30 0.05 5.12 0.08 -1.26 -4.44 117.98 118.40 2yst s PHE 14 Ca 0.17 0.92 -0.19 0.00 0.12 0.00 0.00 56.93 57.95 2yst s PHE 14 Cb -0.13 -3.19 -0.14 0.00 -0.57 0.00 0.00 43.02 38.99 2yst s PHE 14 CO 0.06 -3.66 1.34 0.93 -0.10 0.00 0.00 175.22 173.78 2yst h GLU 15 N -2.46 0.47 -6.24 0.44 5.08 -1.54 -3.46 114.58 106.88 2yst h GLU 15 Ca -0.55 -0.27 -0.58 0.00 -1.00 0.00 0.00 59.36 56.95 2yst h GLU 15 Cb 1.33 0.02 -0.23 0.00 0.50 0.00 0.00 28.75 30.37 2yst h GLU 15 CO 0.49 0.86 -0.84 0.15 -1.00 0.00 0.00 179.01 178.67 2yst s LYS 16 N -4.19 1.27 0.14 2.33 1.02 -1.26 -5.05 119.74 114.00 2yst s LYS 16 Ca -0.13 -1.11 -0.13 0.00 0.02 0.00 0.00 55.97 54.62 2yst s LYS 16 Cb 0.06 -1.50 -0.01 0.00 -0.52 0.00 0.00 37.83 35.86 2yst s LYS 16 CO 0.78 0.36 1.56 0.77 -0.92 0.00 0.00 175.35 177.90 2yst h SER 17 N 4.35 0.81 -3.39 2.83 0.02 -1.91 -3.39 113.55 112.87 2yst h SER 17 Ca -0.45 -0.35 -0.60 0.00 -0.84 0.00 0.00 61.79 59.55 2yst h SER 17 Cb 1.17 -0.22 -0.40 0.00 0.14 0.00 0.00 62.40 63.09 2yst h SER 17 CO 0.41 0.97 -0.74 -0.69 -1.14 0.00 0.00 176.83 175.64 2yst s VAL 18 N -4.86 1.26 -0.39 2.27 1.01 -1.26 -2.47 120.40 115.97 2yst s VAL 18 Ca -0.12 -2.13 -0.29 0.00 0.00 0.00 0.00 61.98 59.43 2yst s VAL 18 Cb 0.11 -1.91 -0.08 0.00 0.00 0.00 0.00 36.38 34.50 2yst s VAL 18 CO 0.82 -0.80 2.31 -1.22 0.00 0.00 0.00 175.10 176.21 2yst n TYR 19 N 4.05 1.61 -3.73 5.22 4.02 0.48 -4.70 117.16 124.11 2yst n TYR 19 Ca 0.05 0.08 -0.38 0.00 -0.01 0.00 0.00 57.90 57.64 2yst n TYR 19 Cb 0.38 -2.63 -0.12 0.00 -0.02 0.00 0.00 39.34 36.94 2yst n TYR 19 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2yst s GLU 20 N 7.12 3.13 0.30 -0.72 2.12 -1.26 0.16 118.70 129.55 2yst s GLU 20 Ca 1.04 -0.84 0.03 0.00 0.36 0.00 0.00 54.97 55.56 2yst s GLU 20 Cb -0.47 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 2yst s GLU 20 CO 0.36 -0.45 0.15 0.00 -0.54 0.00 0.00 175.26 174.79 2yst s ALA 21 N 1.52 1.91 -0.16 6.30 0.00 -0.14 -4.98 121.76 126.21 2yst s ALA 21 Ca 0.03 -1.77 -0.00 0.00 0.00 0.00 0.00 51.96 50.22 2yst s ALA 21 Cb -0.17 1.14 -0.00 0.00 0.00 0.00 0.00 23.12 24.09 2yst s ALA 21 CO 0.03 -0.50 -0.14 0.16 0.00 0.00 0.00 175.76 175.31 2yst s ASP 22 N -3.36 3.73 -0.07 0.00 1.47 -1.26 -1.91 116.67 115.26 2yst s ASP 22 Ca 0.36 -0.46 0.05 0.00 1.18 0.00 0.00 52.55 53.68 2yst s ASP 22 Cb 0.05 -1.58 -0.01 0.00 -0.34 0.00 0.00 42.92 41.04 2yst s ASP 22 CO 0.17 0.07 -0.24 -0.22 0.68 0.00 0.00 175.17 175.62 2yst s LEU 23 N 0.92 2.07 -0.33 2.11 1.98 -0.99 -4.95 118.68 119.49 2yst s LEU 23 Ca -0.03 -0.52 -0.29 0.00 -2.89 0.00 0.00 54.13 50.40 2yst s LEU 23 Cb -0.15 -1.37 0.02 0.00 0.66 0.00 0.00 46.19 45.34 2yst s LEU 23 CO -0.01 0.21 1.12 0.00 -1.89 0.00 0.00 176.35 175.78 2yst s ALA 24 N 0.03 3.44 0.48 5.97 0.00 -1.26 -1.76 121.76 128.66 2yst s ALA 24 Ca -0.09 -0.07 0.34 0.00 0.00 0.00 0.00 51.96 52.15 2yst s ALA 24 Cb -0.15 -3.71 1.48 0.00 0.00 0.00 0.00 23.12 20.74 2yst s ALA 24 CO 0.06 -1.61 1.65 1.05 0.00 0.00 0.00 175.76 176.91 2yst h GLU 25 N 8.40 0.08 -1.52 0.00 4.11 -1.82 0.74 114.58 124.57 2yst h GLU 25 Ca -0.22 -0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.94 2yst h GLU 25 Cb 1.07 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.18 2yst h GLU 25 CO 1.04 0.05 0.34 -1.71 0.07 0.00 0.00 179.01 178.81 2yst n ASN 26 N -4.45 5.89 -4.57 3.06 5.15 -1.26 -4.08 115.26 114.99 2yst n ASN 26 Ca 0.36 -2.92 -0.42 0.00 -0.60 0.00 0.00 54.58 51.00 2yst n ASN 26 Cb 1.49 -1.01 -0.06 0.00 -0.53 0.00 0.00 39.78 39.67 2yst n ASN 26 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2yst s SER 27 N 0.41 6.47 1.00 1.20 0.01 0.26 -5.03 113.70 118.01 2yst s SER 27 Ca 0.26 0.19 -0.14 0.00 1.31 0.00 0.00 55.95 57.57 2yst s SER 27 Cb 0.20 -2.35 0.08 0.00 0.21 0.00 0.00 66.02 64.16 2yst s SER 27 CO 0.00 -0.67 0.47 0.00 0.41 0.00 0.00 173.24 173.46 2yst n ALA 28 N 6.22 -2.69 -2.05 1.44 0.00 -1.26 -3.93 120.51 118.23 2yst n ALA 28 Ca 0.00 -0.78 -0.29 0.00 0.00 0.00 0.00 53.44 52.38 2yst n ALA 28 Cb 0.48 -1.81 -0.06 0.00 0.00 0.00 0.00 19.45 18.06 2yst n ALA 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2yst n PRO 29 N -2.38 1.61 0.00 0.00 -0.04 -1.26 -2.19 135.00 130.74 2yst n PRO 29 Ca 0.06 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 2yst n PRO 29 Cb 0.55 -3.72 0.00 0.00 -0.04 0.00 0.00 33.50 30.29 2yst n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yst n GLY 30 N 5.76 0.24 3.64 0.55 0.00 0.24 -4.69 105.19 110.93 2yst n GLY 30 Ca 0.45 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.99 2yst n GLY 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2yst n THR 31 N 0.00 0.17 -2.16 2.61 -1.04 -0.93 -4.30 114.28 108.63 2yst n THR 31 Ca 0.00 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.54 2yst n THR 31 Cb 0.00 -1.30 -0.03 0.00 -1.82 0.00 0.00 70.33 67.19 2yst n THR 31 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2yst s PRO 32 N 0.56 4.23 -0.09 -2.82 0.04 -1.26 -0.92 135.00 134.74 2yst s PRO 32 Ca 0.79 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.80 2yst s PRO 32 Cb -0.76 -3.77 -0.02 0.00 0.04 0.00 0.00 34.50 30.00 2yst s PRO 32 CO 0.42 -0.72 -0.09 0.82 0.04 0.00 0.00 177.00 177.48 2yst h ILE 33 N 5.27 0.00 -2.52 0.56 2.04 -0.29 -3.48 117.51 119.10 2yst h ILE 33 Ca -0.36 -0.66 0.18 0.00 1.00 0.00 0.00 64.86 65.01 2yst h ILE 33 Cb 1.16 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2yst h ILE 33 CO 0.94 0.00 0.63 0.00 0.00 0.00 0.00 178.15 179.71 2yst n LEU 34 N -3.83 0.00 -4.21 1.44 -0.00 -0.81 -4.98 117.00 104.61 2yst n LEU 34 Ca -0.04 -1.36 -0.32 0.00 -0.00 0.00 0.00 56.01 54.29 2yst n LEU 34 Cb 0.14 2.72 -0.17 0.00 -0.00 0.00 0.00 43.42 46.11 2yst n LEU 34 CO 0.05 -0.45 -0.55 -1.58 -0.00 0.00 0.00 177.39 174.86 2yst s GLN 35 N -2.05 3.05 -0.03 1.47 2.00 -1.26 0.28 119.66 123.12 2yst s GLN 35 Ca 0.24 -0.86 -0.21 0.00 -2.00 0.00 0.00 55.36 52.52 2yst s GLN 35 Cb -0.03 -2.37 -0.05 0.00 0.80 0.00 0.00 33.01 31.36 2yst s GLN 35 CO 0.05 0.10 0.62 -0.51 -0.50 0.00 0.00 175.29 175.05 2yst s LEU 36 N 0.55 4.37 0.14 3.68 1.02 0.12 -4.99 118.68 123.57 2yst s LEU 36 Ca -0.13 1.15 0.00 0.00 0.02 0.00 0.00 54.13 55.16 2yst s LEU 36 Cb -0.17 -2.96 -0.04 0.00 0.02 0.00 0.00 46.19 43.04 2yst s LEU 36 CO 0.04 0.02 0.02 -0.13 0.02 0.00 0.00 176.35 176.33 2yst s ARG 37 N 0.19 0.97 -0.08 1.70 1.81 -1.26 -4.75 118.95 117.52 2yst s ARG 37 Ca 0.33 -1.45 0.20 0.00 -1.72 0.00 0.00 55.73 53.08 2yst s ARG 37 Cb -0.18 0.01 -0.27 0.00 -0.45 0.00 0.00 34.95 34.06 2yst s ARG 37 CO 0.17 -0.18 0.36 0.00 -0.68 0.00 0.00 175.30 174.97 2yst n ALA 38 N -0.13 2.18 -3.60 2.13 0.00 -1.26 -2.18 120.51 117.65 2yst n ALA 38 Ca -0.07 -0.85 -0.03 0.00 0.00 0.00 0.00 53.44 52.49 2yst n ALA 38 Cb 0.63 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 2yst n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yst s ALA 39 N -3.04 -2.10 -0.48 0.00 0.00 -1.26 -3.83 121.76 111.05 2yst s ALA 39 Ca -0.08 1.44 -0.02 0.00 0.00 0.00 0.00 51.96 53.30 2yst s ALA 39 Cb 0.10 -0.03 0.29 0.00 0.00 0.00 0.00 23.12 23.48 2yst s ALA 39 CO 0.86 -0.67 2.11 -3.47 0.00 0.00 0.00 175.76 174.59 2yst n ASP 40 N -0.16 6.96 0.00 0.00 -0.08 -1.26 -4.00 116.55 118.01 2yst n ASP 40 Ca -0.01 -3.37 0.00 0.00 -1.51 0.00 0.00 54.79 49.90 2yst n ASP 40 Cb 0.59 -1.05 0.00 0.00 2.34 0.00 0.00 41.12 43.00 2yst n ASP 40 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2yst n LEU 41 N -0.08 0.62 -2.17 -2.67 4.77 -1.26 -4.85 117.00 111.37 2yst n LEU 41 Ca 0.45 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 56.26 2yst n LEU 41 Cb 0.58 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.53 2yst n LEU 41 CO 0.53 0.10 1.73 0.47 -1.33 0.00 0.00 177.39 178.89 2yst n ASP 42 N -1.52 5.67 -1.64 -1.43 8.00 -1.26 -4.66 116.55 119.71 2yst n ASP 42 Ca 0.00 -2.60 -0.04 0.00 0.71 0.00 0.00 54.79 52.86 2yst n ASP 42 Cb 0.17 -1.40 -0.05 0.00 -0.02 0.00 0.00 41.12 39.82 2yst n ASP 42 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2yst n VAL 43 N 2.32 2.29 0.00 2.53 0.24 -1.26 -4.15 118.33 120.29 2yst n VAL 43 Ca 0.46 -0.80 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2yst n VAL 43 Cb 0.82 -1.63 0.00 0.00 -1.47 0.00 0.00 33.84 31.56 2yst n VAL 43 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2yst n GLY 44 N 1.75 -0.30 2.86 7.63 0.00 -1.26 -5.17 105.19 110.70 2yst n GLY 44 Ca 0.12 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 2yst n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yst s VAL 45 N 0.00 0.14 0.30 1.61 0.11 -1.26 -5.02 120.40 116.27 2yst s VAL 45 Ca 0.00 0.01 0.13 0.00 -2.93 0.00 0.00 61.98 59.19 2yst s VAL 45 Cb 0.00 -0.18 0.31 0.00 -1.53 0.00 0.00 36.38 34.98 2yst s VAL 45 CO 0.00 0.08 1.32 -3.20 -3.33 0.00 0.00 175.10 169.98 2yst n ASN 46 N 3.55 0.19 -3.87 3.54 2.85 -1.26 -3.08 115.26 117.18 2yst n ASN 46 Ca -0.19 1.40 -0.38 0.00 -0.11 0.00 0.00 54.58 55.30 2yst n ASN 46 Cb 0.55 -0.64 -0.08 0.00 1.24 0.00 0.00 39.78 40.85 2yst n ASN 46 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2yst n GLY 47 N -1.27 1.29 3.21 8.20 0.00 -1.26 -4.81 105.19 110.54 2yst n GLY 47 Ca 0.29 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 2yst n GLY 47 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2yst n GLN 48 N 7.68 3.09 -1.12 1.61 6.02 -1.18 -4.95 117.38 128.52 2yst n GLN 48 Ca 0.47 -3.05 -0.44 0.00 -0.01 0.00 0.00 57.00 53.96 2yst n GLN 48 Cb 0.43 -3.37 -0.06 0.00 1.02 0.00 0.00 30.24 28.26 2yst n GLN 48 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2yst n ILE 49 N 5.65 0.00 -1.92 5.09 2.08 -1.26 -4.87 119.36 124.13 2yst n ILE 49 Ca 0.49 0.00 -0.33 0.00 0.56 0.00 0.00 62.75 63.47 2yst n ILE 49 Cb 0.43 -0.03 0.02 0.00 -0.75 0.00 0.00 39.64 39.31 2yst n ILE 49 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2yst s GLU 50 N 0.19 3.13 -0.46 0.38 8.01 -0.75 -4.86 118.70 124.34 2yst s GLU 50 Ca 0.68 1.24 0.03 0.00 0.01 0.00 0.00 54.97 56.93 2yst s GLU 50 Cb -0.95 -2.00 0.16 0.00 -4.31 0.00 0.00 34.13 27.02 2yst s GLU 50 CO 0.44 -0.97 0.34 0.71 0.01 0.00 0.00 175.26 175.79 2yst s TYR 51 N -2.47 1.61 0.54 1.61 2.02 -1.25 -3.31 117.35 116.11 2yst s TYR 51 Ca 0.64 -2.42 0.09 0.00 -0.37 0.00 0.00 57.07 55.00 2yst s TYR 51 Cb -0.17 -1.37 0.06 0.00 -0.40 0.00 0.00 41.96 40.08 2yst s TYR 51 CO 0.40 -0.77 0.67 0.14 -1.57 0.00 0.00 175.55 174.42 2yst s VAL 52 N -0.03 2.16 -0.44 0.71 -7.23 -0.82 -4.07 120.40 110.69 2yst s VAL 52 Ca 0.27 -1.11 -0.21 0.00 -1.81 0.00 0.00 61.98 59.12 2yst s VAL 52 Cb -0.05 -2.28 0.02 0.00 0.56 0.00 0.00 36.38 34.63 2yst s VAL 52 CO -0.14 0.00 0.68 -0.36 -0.31 0.00 0.00 175.10 174.98 2yst s PHE 53 N -2.64 3.05 0.00 2.82 0.08 -1.26 -0.84 117.98 119.18 2yst s PHE 53 Ca 0.55 0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.64 2yst s PHE 53 Cb -0.05 -3.43 0.00 0.00 -0.57 0.00 0.00 43.02 38.97 2yst s PHE 53 CO 0.34 -0.89 0.02 0.41 -0.10 0.00 0.00 175.22 175.01 2yst n GLY 54 N 4.99 -1.13 2.59 4.36 0.00 -0.91 -4.50 105.19 110.59 2yst n GLY 54 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2yst n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yst n ALA 55 N -2.83 5.85 -2.53 4.61 0.00 -1.24 -4.94 120.51 119.43 2yst n ALA 55 Ca 0.00 -4.06 -0.43 0.00 0.00 0.00 0.00 53.44 48.95 2yst n ALA 55 Cb 0.00 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.09 2yst n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yst s ALA 56 N -3.81 3.37 0.63 0.00 0.00 -1.26 -4.31 121.76 116.39 2yst s ALA 56 Ca 0.52 -1.14 -0.17 0.00 0.00 0.00 0.00 51.96 51.17 2yst s ALA 56 Cb 0.43 -3.26 -0.11 0.00 0.00 0.00 0.00 23.12 20.18 2yst s ALA 56 CO -0.23 -1.67 0.09 -2.37 0.00 0.00 0.00 175.76 171.58 2yst n THR 57 N 5.78 0.92 0.22 0.00 5.66 -1.26 -4.48 114.28 121.11 2yst n THR 57 Ca -0.02 -0.47 0.18 0.00 -3.05 0.00 0.00 64.05 60.68 2yst n THR 57 Cb 0.48 -0.33 0.79 0.00 -1.55 0.00 0.00 70.33 69.72 2yst n THR 57 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2yst h GLU 58 N -0.17 0.00 -0.01 1.09 9.09 -1.99 0.33 114.58 122.92 2yst h GLU 58 Ca -0.43 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 58.79 2yst h GLU 58 Cb 1.40 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.49 2yst h GLU 58 CO 0.41 0.00 -0.83 0.66 0.05 0.00 0.00 179.01 179.30 2yst h SER 59 N 0.00 0.28 -0.06 3.06 4.64 -1.98 -2.15 113.55 117.34 2yst h SER 59 Ca 0.09 -0.22 -0.14 0.00 -0.47 0.00 0.00 61.79 61.06 2yst h SER 59 Cb 0.84 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.86 2yst h SER 59 CO -0.00 0.99 -0.51 0.58 -0.87 0.00 0.00 176.83 177.02 2yst h VAL 60 N 0.13 1.40 -0.31 0.95 2.07 -0.63 -0.11 116.25 119.75 2yst h VAL 60 Ca -0.04 -1.91 -0.10 0.00 0.82 0.00 0.00 66.70 65.48 2yst h VAL 60 Cb 1.44 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 33.56 2yst h VAL 60 CO 0.13 0.56 -0.22 0.08 0.02 0.00 0.00 177.57 178.14 2yst h ARG 61 N -0.01 0.59 0.04 1.57 0.11 -1.51 0.66 114.38 115.83 2yst h ARG 61 Ca -0.05 -0.22 -0.22 0.00 0.10 0.00 0.00 59.98 59.59 2yst h ARG 61 Cb 1.18 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.21 2yst h ARG 61 CO 0.10 0.77 -1.03 0.07 0.10 0.00 0.00 179.97 179.98 2yst h ARG 62 N 0.53 0.11 0.00 0.08 0.11 -1.43 -3.26 114.38 110.52 2yst h ARG 62 Ca 0.08 -0.17 -0.06 0.00 0.10 0.00 0.00 59.98 59.93 2yst h ARG 62 Cb 0.66 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.79 2yst h ARG 62 CO 0.05 1.04 -0.78 1.25 0.10 0.00 0.00 179.97 181.62 2yst h LEU 63 N 0.04 0.00 -7.78 0.08 5.85 -0.82 -3.34 115.31 109.34 2yst h LEU 63 Ca -0.05 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.32 2yst h LEU 63 Cb 1.75 0.00 -0.31 0.00 0.37 0.00 0.00 40.66 42.46 2yst h LEU 63 CO 0.15 0.22 -0.76 -0.76 -0.34 0.00 0.00 178.44 176.96 2yst s LEU 64 N -5.85 1.60 -0.06 2.25 1.43 0.23 -1.60 118.68 116.68 2yst s LEU 64 Ca 0.01 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 2yst s LEU 64 Cb 0.08 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 2yst s LEU 64 CO 0.76 -0.01 0.15 -0.60 0.23 0.00 0.00 176.35 176.88 2yst s ARG 65 N 0.47 3.41 0.05 1.70 6.06 0.56 -4.15 118.95 127.05 2yst s ARG 65 Ca -0.05 -0.24 0.03 0.00 -2.50 0.00 0.00 55.73 52.96 2yst s ARG 65 Cb -0.09 -3.12 -0.03 0.00 0.06 0.00 0.00 34.95 31.78 2yst s ARG 65 CO -0.00 0.72 -0.10 -1.17 -2.50 0.00 0.00 175.30 172.25 2yst s LEU 66 N -1.49 2.26 0.42 -0.88 2.96 -1.26 -2.03 118.68 118.66 2yst s LEU 66 Ca 0.21 -0.56 0.07 0.00 -0.22 0.00 0.00 54.13 53.64 2yst s LEU 66 Cb -0.12 -0.27 -0.03 0.00 0.50 0.00 0.00 46.19 46.27 2yst s LEU 66 CO 0.11 -0.16 0.30 -0.62 -1.32 0.00 0.00 176.35 174.66 2yst s ASP 67 N -1.59 4.75 0.00 3.68 -1.08 -0.98 -5.01 116.67 116.45 2yst s ASP 67 Ca -0.07 -0.92 0.00 0.00 -0.52 0.00 0.00 52.55 51.04 2yst s ASP 67 Cb -0.10 -0.47 0.00 0.00 -1.46 0.00 0.00 42.92 40.89 2yst s ASP 67 CO 0.01 -0.64 0.00 -0.62 0.52 0.00 0.00 175.17 174.44 2yst n GLU 68 N -1.43 1.43 0.06 4.34 4.71 -1.26 -4.06 120.64 124.44 2yst n GLU 68 Ca 0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.04 2yst n GLU 68 Cb 0.63 -0.92 -0.13 0.00 -1.01 0.00 0.00 31.44 30.01 2yst n GLU 68 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2yst h THR 69 N 0.00 1.40 0.00 2.62 1.03 -1.89 -3.31 112.91 112.76 2yst h THR 69 Ca 0.00 -3.08 -0.33 0.00 -0.01 0.00 0.00 66.41 62.99 2yst h THR 69 Cb 0.83 2.79 -0.06 0.00 -1.07 0.00 0.00 68.15 70.64 2yst h THR 69 CO 0.00 0.85 -2.24 -1.54 -0.01 0.00 0.00 175.52 172.58 2yst n SER 70 N -3.38 1.52 -0.01 0.00 3.41 -1.26 -5.01 113.62 108.89 2yst n SER 70 Ca -0.09 -0.06 -0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2yst n SER 70 Cb 1.00 0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 65.20 2yst n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yst n GLY 71 N 2.19 0.41 3.76 5.00 0.00 -1.26 -4.88 105.19 110.41 2yst n GLY 71 Ca -0.34 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 2yst n GLY 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2yst s TRP 72 N -2.00 3.87 -0.13 1.61 0.52 -1.26 -0.71 118.94 120.84 2yst s TRP 72 Ca 0.00 1.69 0.02 0.00 0.02 0.00 0.00 56.10 57.82 2yst s TRP 72 Cb 0.00 -2.87 -0.00 0.00 -1.15 0.00 0.00 33.47 29.45 2yst s TRP 72 CO 0.00 0.40 -0.19 -1.17 0.02 0.00 0.00 176.95 176.02 2yst s LEU 73 N -0.74 2.34 0.27 2.99 2.96 0.14 -2.32 118.68 124.32 2yst s LEU 73 Ca 0.39 -0.50 -0.09 0.00 -0.22 0.00 0.00 54.13 53.72 2yst s LEU 73 Cb -0.23 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 2yst s LEU 73 CO 0.27 0.12 0.44 -0.94 -1.32 0.00 0.00 176.35 174.92 2yst s SER 74 N 0.59 0.20 0.46 3.68 1.04 -0.86 0.50 113.70 119.31 2yst s SER 74 Ca -0.11 -1.14 -0.18 0.00 0.48 0.00 0.00 55.95 55.00 2yst s SER 74 Cb -0.16 0.58 -0.09 0.00 0.10 0.00 0.00 66.02 66.45 2yst s SER 74 CO 0.03 -1.15 0.95 -0.69 0.98 0.00 0.00 173.24 173.36 2yst s VAL 75 N -3.74 4.48 -0.06 5.02 1.01 -0.09 -0.32 120.40 126.70 2yst s VAL 75 Ca 0.27 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.57 2yst s VAL 75 Cb 0.00 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2yst s VAL 75 CO 0.12 -0.49 -0.04 -0.11 0.00 0.00 0.00 175.10 174.58 2yst n LEU 76 N -1.08 2.37 -4.12 3.92 7.94 -0.63 -0.59 117.00 124.81 2yst n LEU 76 Ca 0.06 -0.02 -0.18 0.00 -1.11 0.00 0.00 56.01 54.76 2yst n LEU 76 Cb 0.54 -0.14 -0.13 0.00 0.53 0.00 0.00 43.42 44.22 2yst n LEU 76 CO 0.42 0.50 -0.45 -1.00 -1.11 0.00 0.00 177.39 175.75 2yst s HIS 77 N -2.12 1.08 0.30 1.96 3.76 -1.14 -4.55 115.29 114.58 2yst s HIS 77 Ca -0.07 -0.37 -0.23 0.00 -0.15 0.00 0.00 55.06 54.24 2yst s HIS 77 Cb 0.02 -0.64 -0.16 0.00 1.11 0.00 0.00 32.58 32.92 2yst s HIS 77 CO 0.15 0.02 0.28 0.54 -0.85 0.00 0.00 174.74 174.87 2yst n ARG 78 N 1.85 0.00 -5.05 1.40 5.12 -1.26 -4.66 116.66 114.06 2yst n ARG 78 Ca -0.19 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.42 2yst n ARG 78 Cb 0.55 -0.96 -0.14 0.00 -1.16 0.00 0.00 32.46 30.74 2yst n ARG 78 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2yst s ILE 79 N -1.31 2.54 -0.05 0.55 1.01 -1.25 -5.01 121.20 117.68 2yst s ILE 79 Ca 0.59 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 60.30 2yst s ILE 79 Cb -0.74 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 39.77 2yst s ILE 79 CO 0.57 0.55 -0.16 -0.62 0.00 0.00 0.00 174.94 175.28 2yst s ASP 80 N -0.78 2.10 0.37 3.58 2.15 -1.26 -4.38 116.67 118.45 2yst s ASP 80 Ca 0.11 -0.35 0.11 0.00 0.43 0.00 0.00 52.55 52.85 2yst s ASP 80 Cb -0.10 -0.71 0.72 0.00 -0.30 0.00 0.00 42.92 42.52 2yst s ASP 80 CO 0.00 0.12 1.84 -0.09 -0.17 0.00 0.00 175.17 176.88 2yst h ARG 81 N 6.47 0.11 0.10 4.34 1.12 -1.84 -2.37 114.38 122.31 2yst h ARG 81 Ca -0.31 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 58.52 2yst h ARG 81 Cb 1.18 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.13 2yst h ARG 81 CO 0.48 0.40 -0.05 0.93 -3.11 0.00 0.00 179.97 178.62 2yst h GLU 82 N 0.10 -0.13 -0.22 0.20 5.08 -2.00 -2.86 114.58 114.75 2yst h GLU 82 Ca 0.01 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2yst h GLU 82 Cb 0.58 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2yst h GLU 82 CO 0.04 0.04 -0.10 1.05 -1.00 0.00 0.00 179.01 179.04 2yst h GLU 83 N -0.28 0.36 -2.85 2.33 4.11 -1.97 -3.43 114.58 112.85 2yst h GLU 83 Ca -0.01 -0.09 -0.14 0.00 0.07 0.00 0.00 59.36 59.19 2yst h GLU 83 Cb 0.23 -0.05 -0.26 0.00 0.50 0.00 0.00 28.75 29.17 2yst h GLU 83 CO 0.02 0.47 -0.34 0.14 0.07 0.00 0.00 179.01 179.37 2yst s VAL 84 N -4.77 -0.02 -0.21 -1.06 -7.23 -0.90 -5.03 120.40 101.18 2yst s VAL 84 Ca -0.06 0.06 0.12 0.00 -1.81 0.00 0.00 61.98 60.28 2yst s VAL 84 Cb 0.15 -0.50 -0.17 0.00 0.56 0.00 0.00 36.38 36.42 2yst s VAL 84 CO 0.75 0.02 0.35 -3.20 -0.31 0.00 0.00 175.10 172.72 2yst n ASN 85 N 3.55 1.61 -3.15 4.85 2.85 -1.20 -3.86 115.26 119.91 2yst n ASN 85 Ca -0.18 -0.28 0.04 0.00 -0.11 0.00 0.00 54.58 54.05 2yst n ASN 85 Cb 0.56 1.36 -0.01 0.00 1.24 0.00 0.00 39.78 42.93 2yst n ASN 85 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2yst s GLN 86 N -2.59 0.48 0.19 1.20 0.74 -1.26 -2.93 119.66 115.48 2yst s GLN 86 Ca -0.01 0.71 -0.25 0.00 0.05 0.00 0.00 55.36 55.86 2yst s GLN 86 Cb 0.08 0.37 -0.08 0.00 1.10 0.00 0.00 33.01 34.49 2yst s GLN 86 CO 0.50 -0.65 0.78 -0.51 -0.55 0.00 0.00 175.29 174.86 2yst s LEU 87 N 2.87 4.54 -0.20 3.68 1.43 -1.19 -4.97 118.68 124.84 2yst s LEU 87 Ca 0.15 1.63 -0.04 0.00 -1.03 0.00 0.00 54.13 54.84 2yst s LEU 87 Cb -0.12 -3.40 0.08 0.00 0.03 0.00 0.00 46.19 42.79 2yst s LEU 87 CO -0.21 0.16 0.16 -0.60 0.23 0.00 0.00 176.35 176.09 2yst s ARG 88 N -1.34 0.14 0.23 1.70 3.52 -1.26 -2.48 118.95 119.46 2yst s ARG 88 Ca 0.38 0.02 0.03 0.00 -0.13 0.00 0.00 55.73 56.03 2yst s ARG 88 Cb -0.22 -1.46 -0.01 0.00 -1.56 0.00 0.00 34.95 31.70 2yst s ARG 88 CO 0.25 -0.70 0.12 1.97 -0.81 0.00 0.00 175.30 176.13 2yst n PHE 89 N 5.30 -0.12 -4.18 5.12 -1.74 -1.23 -4.97 117.46 115.65 2yst n PHE 89 Ca -0.06 -1.65 -0.18 0.00 -0.56 0.00 0.00 57.45 55.01 2yst n PHE 89 Cb 0.49 0.06 -0.12 0.00 1.52 0.00 0.00 39.48 41.43 2yst n PHE 89 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2yst s THR 90 N -2.61 1.11 -0.07 1.97 2.01 -1.26 -0.81 115.64 115.99 2yst s THR 90 Ca 0.17 -1.40 0.03 0.00 0.31 0.00 0.00 61.69 60.80 2yst s THR 90 Cb 0.01 -1.16 0.01 0.00 0.01 0.00 0.00 72.50 71.37 2yst s THR 90 CO 0.12 -0.29 -0.15 0.68 -0.69 0.00 0.00 174.62 174.28 2yst s VAL 91 N -1.53 1.34 0.42 3.82 -7.23 -0.25 -2.15 120.40 114.83 2yst s VAL 91 Ca 0.00 -0.62 0.02 0.00 -1.81 0.00 0.00 61.98 59.58 2yst s VAL 91 Cb -0.08 -1.19 -0.00 0.00 0.56 0.00 0.00 36.38 35.66 2yst s VAL 91 CO 0.02 0.40 0.62 -0.04 -0.31 0.00 0.00 175.10 175.79 2yst s MET 92 N 0.46 3.04 -0.15 4.82 -1.94 -0.02 -1.02 119.30 124.49 2yst s MET 92 Ca -0.13 -0.66 -0.04 0.00 -1.71 0.00 0.00 55.69 53.15 2yst s MET 92 Cb -0.15 -2.63 0.07 0.00 2.01 0.00 0.00 34.83 34.14 2yst s MET 92 CO 0.04 -0.21 0.25 0.00 -0.01 0.00 0.00 175.02 175.09 2yst s ALA 93 N -2.46 -0.47 0.34 3.03 0.00 -0.89 -1.94 121.76 119.36 2yst s ALA 93 Ca 0.48 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 53.14 2yst s ALA 93 Cb -0.10 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 2yst s ALA 93 CO 0.36 -0.83 0.56 1.03 0.00 0.00 0.00 175.76 176.89 2yst s ARG 94 N 2.39 3.52 0.29 0.00 0.52 -1.21 -2.64 118.95 121.83 2yst s ARG 94 Ca 0.04 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 2yst s ARG 94 Cb -0.13 -2.64 -0.00 0.00 0.52 0.00 0.00 34.95 32.69 2yst s ARG 94 CO -0.10 0.14 0.01 -0.40 0.02 0.00 0.00 175.30 174.98 2yst n ASP 95 N -1.58 2.60 -1.56 0.23 5.75 -1.26 -1.82 116.55 118.90 2yst n ASP 95 Ca -0.04 -2.29 -0.09 0.00 -0.01 0.00 0.00 54.79 52.36 2yst n ASP 95 Cb 0.55 0.26 0.04 0.00 -1.03 0.00 0.00 41.12 40.94 2yst n ASP 95 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2yst n ARG 96 N -0.71 1.45 -4.43 0.11 1.85 -1.26 -4.86 116.66 108.81 2yst n ARG 96 Ca -0.11 -0.97 -0.21 0.00 -1.00 0.00 0.00 57.85 55.55 2yst n ARG 96 Cb 0.37 -1.38 -0.10 0.00 -1.05 0.00 0.00 32.46 30.30 2yst n ARG 96 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2yst s GLY 97 N 0.54 2.06 -0.17 2.89 0.00 -1.26 -5.09 107.32 106.29 2yst s GLY 97 Ca 0.19 -1.93 -0.07 0.00 0.00 0.00 0.00 44.72 42.91 2yst s GLY 97 CO 0.02 -1.77 0.37 1.20 0.00 0.00 0.00 173.10 172.91 2yst s GLN 98 N -3.90 0.29 0.28 2.90 -0.21 -1.26 -2.42 119.66 115.34 2yst s GLN 98 Ca 0.35 0.89 -0.29 0.00 0.02 0.00 0.00 55.36 56.33 2yst s GLN 98 Cb 0.08 0.15 -0.10 0.00 1.00 0.00 0.00 33.01 34.14 2yst s GLN 98 CO 0.15 -0.23 1.24 -1.25 -2.12 0.00 0.00 175.29 173.08 2yst s PRO 99 N 2.23 4.45 0.05 2.91 0.04 -1.26 -5.11 135.00 138.32 2yst s PRO 99 Ca -0.03 2.05 -0.31 0.00 0.04 0.00 0.00 61.00 62.75 2yst s PRO 99 Cb -0.11 -3.14 -0.07 0.00 0.04 0.00 0.00 34.50 31.22 2yst s PRO 99 CO -0.12 -0.08 1.41 -1.25 0.04 0.00 0.00 177.00 177.00 2yst s PRO 100 N -1.26 4.30 -1.17 0.56 0.04 -1.01 -4.92 135.00 131.52 2yst s PRO 100 Ca 0.49 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 63.35 2yst s PRO 100 Cb -0.37 -3.44 -0.01 0.00 0.04 0.00 0.00 34.50 30.72 2yst s PRO 100 CO 0.46 -0.52 1.81 0.21 0.04 0.00 0.00 177.00 179.00 2yst s LYS 101 N 1.86 3.14 0.05 4.56 2.47 -1.26 -4.87 119.74 125.69 2yst s LYS 101 Ca 0.65 -1.35 -0.30 0.00 -1.56 0.00 0.00 55.97 53.41 2yst s LYS 101 Cb -0.34 -5.34 -0.08 0.00 -1.46 0.00 0.00 37.83 30.61 2yst s LYS 101 CO 0.29 -3.12 1.66 0.95 0.16 0.00 0.00 175.35 175.29 2yst s THR 102 N 7.88 3.12 -0.19 3.43 -4.23 -1.25 -4.37 115.64 120.03 2yst s THR 102 Ca 0.61 0.51 -0.04 0.00 -1.18 0.00 0.00 61.69 61.59 2yst s THR 102 Cb 0.00 -3.33 -0.02 0.00 1.34 0.00 0.00 72.50 70.49 2yst s THR 102 CO 0.07 -0.01 -0.02 -0.62 -0.54 0.00 0.00 174.62 173.50 2yst s ASP 103 N 2.62 4.72 0.30 3.99 2.15 -1.08 -4.82 116.67 124.54 2yst s ASP 103 Ca 0.74 -0.21 -0.11 0.00 0.43 0.00 0.00 52.55 53.41 2yst s ASP 103 Cb -0.39 -1.79 -0.07 0.00 -0.30 0.00 0.00 42.92 40.36 2yst s ASP 103 CO 0.32 0.09 0.65 -0.54 -0.17 0.00 0.00 175.17 175.52 2yst s LYS 104 N 0.84 3.84 -0.21 4.34 1.02 -1.26 -2.10 119.74 126.23 2yst s LYS 104 Ca -0.00 0.40 -0.05 0.00 0.02 0.00 0.00 55.97 56.34 2yst s LYS 104 Cb -0.14 -2.53 0.10 0.00 -0.52 0.00 0.00 37.83 34.74 2yst s LYS 104 CO 0.02 0.19 0.38 0.00 -0.92 0.00 0.00 175.35 175.02 2yst s ALA 105 N -2.00 -1.06 0.38 5.17 0.00 -0.19 -4.90 121.76 119.16 2yst s ALA 105 Ca 0.50 1.20 -0.26 0.00 0.00 0.00 0.00 51.96 53.40 2yst s ALA 105 Cb -0.11 -1.43 -0.09 0.00 0.00 0.00 0.00 23.12 21.49 2yst s ALA 105 CO 0.23 -0.95 1.24 0.99 0.00 0.00 0.00 175.76 177.27 2yst s THR 106 N 2.56 2.87 -0.29 0.00 2.01 -1.03 -1.10 115.64 120.67 2yst s THR 106 Ca 0.04 0.79 0.01 0.00 0.31 0.00 0.00 61.69 62.84 2yst s THR 106 Cb -0.13 -3.46 0.09 0.00 0.01 0.00 0.00 72.50 69.00 2yst s THR 106 CO -0.13 0.12 0.05 -0.69 -0.69 0.00 0.00 174.62 173.27 2yst s VAL 107 N -1.29 1.35 -0.29 3.82 1.01 0.01 0.18 120.40 125.20 2yst s VAL 107 Ca 0.55 -1.55 -0.20 0.00 0.00 0.00 0.00 61.98 60.78 2yst s VAL 107 Cb -0.35 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 2yst s VAL 107 CO 0.45 -0.50 0.61 -0.69 0.00 0.00 0.00 175.10 174.97 2yst s VAL 108 N 1.40 4.97 -0.35 2.92 1.01 0.42 -3.48 120.40 127.30 2yst s VAL 108 Ca 0.06 0.90 -0.00 0.00 0.00 0.00 0.00 61.98 62.94 2yst s VAL 108 Cb -0.18 -3.96 0.08 0.00 0.00 0.00 0.00 36.38 32.32 2yst s VAL 108 CO -0.16 -0.08 0.08 -0.76 0.00 0.00 0.00 175.10 174.19 2yst s LEU 109 N 2.54 4.57 -0.18 3.92 1.43 -1.04 -0.96 118.68 128.96 2yst s LEU 109 Ca 0.25 -1.77 -0.29 0.00 -1.03 0.00 0.00 54.13 51.28 2yst s LEU 109 Cb -0.15 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 2yst s LEU 109 CO 0.11 -0.39 1.59 0.20 0.23 0.00 0.00 176.35 178.09 2yst s ASN 110 N 1.37 6.50 -0.89 2.29 0.01 -0.80 -3.16 114.94 120.26 2yst s ASN 110 Ca 0.03 1.76 -0.25 0.00 -0.71 0.00 0.00 52.86 53.70 2yst s ASN 110 Cb -0.21 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.92 2yst s ASN 110 CO -0.04 -1.14 1.67 -0.63 -1.51 0.00 0.00 177.10 175.46 2yst s ILE 111 N 4.79 3.64 0.93 0.60 -1.09 -1.15 -2.34 121.20 126.58 2yst s ILE 111 Ca 0.70 -0.34 -0.13 0.00 -2.23 0.00 0.00 60.65 58.65 2yst s ILE 111 Cb -0.26 -4.49 0.15 0.00 -1.58 0.00 0.00 42.46 36.28 2yst s ILE 111 CO 0.28 -1.41 1.15 -0.54 -1.23 0.00 0.00 174.94 173.18 2yst s LYS 112 N 6.12 0.99 -0.38 2.79 -0.14 -0.72 -4.82 119.74 123.57 2yst s LYS 112 Ca 0.57 0.22 -0.03 0.00 -1.36 0.00 0.00 55.97 55.37 2yst s LYS 112 Cb -0.05 -1.83 0.09 0.00 -1.68 0.00 0.00 37.83 34.36 2yst s LYS 112 CO 0.01 -2.29 0.16 0.16 -0.76 0.00 0.00 175.35 172.63 2yst s ASP 113 N -4.09 5.20 0.02 2.83 -4.77 -1.26 -2.62 116.67 111.97 2yst s ASP 113 Ca 0.65 -1.83 -0.19 0.00 -3.30 0.00 0.00 52.55 47.88 2yst s ASP 113 Cb -0.14 -1.81 -0.22 0.00 -1.09 0.00 0.00 42.92 39.66 2yst s ASP 113 CO 0.53 -0.48 1.14 -0.08 0.70 0.00 0.00 175.17 176.98 2yst h GLU 114 N 8.06 0.45 -0.16 2.11 4.57 -1.95 -3.32 114.58 124.33 2yst h GLU 114 Ca -0.15 -0.44 0.05 0.00 -1.18 0.00 0.00 59.36 57.63 2yst h GLU 114 Cb 1.05 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 29.69 2yst h GLU 114 CO 0.66 1.10 -0.33 -0.97 -1.18 0.00 0.00 179.01 178.29 2yst h ASN 115 N -0.03 -1.04 -3.03 1.04 -0.73 -1.99 -3.39 115.58 106.42 2yst h ASN 115 Ca -0.07 0.15 -0.55 0.00 1.87 0.00 0.00 56.30 57.71 2yst h ASN 115 Cb 1.28 0.44 -0.01 0.00 0.27 0.00 0.00 38.32 40.30 2yst h ASN 115 CO 0.12 -0.36 0.74 -0.62 -0.37 0.00 0.00 177.43 176.94 2yst s ASP 116 N -4.93 6.98 -0.30 1.15 -1.08 -1.25 -4.97 116.67 112.27 2yst s ASP 116 Ca -0.15 1.91 -0.13 0.00 -0.52 0.00 0.00 52.55 53.66 2yst s ASP 116 Cb 0.11 -2.56 0.18 0.00 -1.46 0.00 0.00 42.92 39.19 2yst s ASP 116 CO 0.66 -0.63 1.08 0.21 0.52 0.00 0.00 175.17 177.01 2yst s ASN 117 N 1.61 -0.38 0.30 -0.34 3.84 -1.26 -4.87 114.94 113.84 2yst s ASN 117 Ca 0.58 0.14 -0.25 0.00 0.21 0.00 0.00 52.86 53.54 2yst s ASN 117 Cb -0.27 1.28 -0.15 0.00 -0.55 0.00 0.00 41.25 41.55 2yst s ASN 117 CO 0.23 -0.07 0.47 1.33 -2.79 0.00 0.00 177.10 176.27 2yst n VAL 118 N 5.30 1.60 0.97 -5.21 0.24 -1.26 -5.22 118.33 114.75 2yst n VAL 118 Ca 0.01 -0.50 0.08 0.00 -2.04 0.00 0.00 64.34 61.88 2yst n VAL 118 Cb 0.56 -0.22 0.46 0.00 -1.47 0.00 0.00 33.84 33.17 2yst n VAL 118 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88