#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 0.85 -3.37 1.61 2.88 -1.26 -5.15 113.62 109.18 2yst n SER 2 Ca 0.00 0.20 -0.11 0.00 -1.33 0.00 0.00 58.87 57.63 2yst n SER 2 Cb 0.00 -0.19 -0.02 0.00 -0.75 0.00 0.00 64.21 63.24 2yst n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yst s SER 3 N -5.78 0.32 0.00 -3.46 0.15 -1.26 -5.11 113.70 98.56 2yst s SER 3 Ca 0.00 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.46 2yst s SER 3 Cb 0.00 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 2yst s SER 3 CO 0.00 -1.38 0.00 0.61 1.20 0.00 0.00 173.24 173.67 2yst n GLY 4 N -0.50 -1.81 3.65 9.45 0.00 -1.26 -5.15 105.19 109.57 2yst n GLY 4 Ca -0.03 0.89 -0.44 0.00 0.00 0.00 0.00 46.02 46.45 2yst n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yst n SER 5 N 0.00 2.17 -3.59 1.61 7.64 -1.26 -5.00 113.62 115.19 2yst n SER 5 Ca 0.00 1.19 -0.02 0.00 1.01 0.00 0.00 58.87 61.05 2yst n SER 5 Cb 0.00 -1.40 -0.05 0.00 -1.01 0.00 0.00 64.21 61.75 2yst n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yst s SER 6 N -0.34 -0.95 0.00 6.43 0.15 -1.26 -5.12 113.70 112.61 2yst s SER 6 Ca 0.58 1.34 0.00 0.00 0.70 0.00 0.00 55.95 58.57 2yst s SER 6 Cb -0.63 2.06 0.00 0.00 -1.71 0.00 0.00 66.02 65.73 2yst s SER 6 CO 0.60 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2yst n GLY 7 N 5.43 -0.24 3.09 9.45 0.00 -1.26 -5.12 105.19 116.54 2yst n GLY 7 Ca -0.10 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 2yst n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yst s ASN 8 N -4.00 1.49 -0.14 1.61 0.01 -1.26 -5.14 114.94 107.51 2yst s ASN 8 Ca 0.00 -0.23 -0.07 0.00 -0.71 0.00 0.00 52.86 51.85 2yst s ASN 8 Cb 0.00 -0.17 0.06 0.00 0.41 0.00 0.00 41.25 41.55 2yst s ASN 8 CO 0.00 0.15 0.32 -1.81 -1.51 0.00 0.00 177.10 174.25 2yst s ASP 9 N -0.31 -0.30 -0.21 -1.22 1.01 -1.26 -5.03 116.67 109.35 2yst s ASP 9 Ca 0.05 0.69 0.01 0.00 0.71 0.00 0.00 52.55 54.01 2yst s ASP 9 Cb -0.05 0.62 0.23 0.00 1.01 0.00 0.00 42.92 44.73 2yst s ASP 9 CO -0.00 -0.19 1.61 0.59 0.21 0.00 0.00 175.17 177.39 2yst n ASN 10 N 4.41 4.42 -4.71 0.27 3.02 -1.26 -4.96 115.26 116.45 2yst n ASN 10 Ca -0.22 -2.75 -0.37 0.00 -0.03 0.00 0.00 54.58 51.22 2yst n ASN 10 Cb 0.53 -0.80 0.08 0.00 -0.61 0.00 0.00 39.78 38.98 2yst n ASN 10 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2yst n SER 11 N 0.12 1.75 -4.72 6.41 7.64 -1.26 -4.93 113.62 118.63 2yst n SER 11 Ca 0.24 0.79 -0.42 0.00 1.01 0.00 0.00 58.87 60.49 2yst n SER 11 Cb 0.81 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.45 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 -3.39 4.36 -0.03 1.43 0.04 -1.26 -5.02 135.00 131.12 2yst s PRO 12 Ca 0.81 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.89 2yst s PRO 12 Cb -0.37 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 30.95 2yst s PRO 12 CO 0.42 -0.35 -0.01 1.03 0.04 0.00 0.00 177.00 178.14 2yst s ARG 13 N 0.66 0.40 0.59 4.56 0.52 -1.26 -4.51 118.95 119.91 2yst s ARG 13 Ca 0.61 0.04 -0.15 0.00 -0.52 0.00 0.00 55.73 55.71 2yst s ARG 13 Cb -0.36 -0.56 -0.04 0.00 0.52 0.00 0.00 34.95 34.51 2yst s ARG 13 CO 0.33 -0.13 1.04 -0.06 0.02 0.00 0.00 175.30 176.50 2yst s PHE 14 N 1.02 3.17 0.07 -0.53 0.08 -1.26 -3.69 117.98 116.84 2yst s PHE 14 Ca -0.10 1.47 -0.23 0.00 0.12 0.00 0.00 56.93 58.19 2yst s PHE 14 Cb -0.14 -2.92 -0.15 0.00 -0.57 0.00 0.00 43.02 39.25 2yst s PHE 14 CO -0.01 -0.91 1.62 0.93 -0.10 0.00 0.00 175.22 176.75 2yst h GLU 15 N 0.35 0.05 -5.51 0.44 5.08 -1.93 -3.42 114.58 109.63 2yst h GLU 15 Ca -0.46 -0.01 -0.66 0.00 -1.00 0.00 0.00 59.36 57.23 2yst h GLU 15 Cb 1.21 -0.01 -0.25 0.00 0.50 0.00 0.00 28.75 30.20 2yst h GLU 15 CO 0.59 0.16 -0.74 0.15 -1.00 0.00 0.00 179.01 178.16 2yst s LYS 16 N -5.68 3.27 0.18 2.33 1.02 -1.26 -5.02 119.74 114.59 2yst s LYS 16 Ca -0.14 -0.65 -0.13 0.00 0.02 0.00 0.00 55.97 55.08 2yst s LYS 16 Cb 0.05 -2.64 0.12 0.00 -0.52 0.00 0.00 37.83 34.84 2yst s LYS 16 CO 0.67 0.31 1.82 0.77 -0.92 0.00 0.00 175.35 178.00 2yst h SER 17 N 6.41 0.56 -3.52 2.83 0.02 -1.92 -3.37 113.55 114.56 2yst h SER 17 Ca -0.31 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.02 2yst h SER 17 Cb 1.20 -0.12 -0.40 0.00 0.14 0.00 0.00 62.40 63.22 2yst h SER 17 CO 0.56 0.39 -0.73 -0.69 -1.14 0.00 0.00 176.83 175.22 2yst s VAL 18 N -6.14 1.59 -0.31 2.27 1.01 -1.26 -2.04 120.40 115.53 2yst s VAL 18 Ca -0.13 -2.15 -0.28 0.00 0.00 0.00 0.00 61.98 59.42 2yst s VAL 18 Cb 0.13 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 2yst s VAL 18 CO 0.75 -0.72 1.97 -0.31 0.00 0.00 0.00 175.10 176.79 2yst s TYR 19 N 0.92 1.55 -0.24 5.22 1.51 0.14 -4.79 117.35 121.66 2yst s TYR 19 Ca 0.13 0.64 -0.07 0.00 -1.01 0.00 0.00 57.07 56.76 2yst s TYR 19 Cb -0.20 -4.03 -0.03 0.00 -0.11 0.00 0.00 41.96 37.59 2yst s TYR 19 CO -0.12 -3.31 0.06 -2.00 -1.11 0.00 0.00 175.55 169.07 2yst s GLU 20 N 6.06 3.65 0.05 -0.62 2.12 -1.26 0.02 118.70 128.72 2yst s GLU 20 Ca 0.87 -0.48 -0.04 0.00 0.36 0.00 0.00 54.97 55.68 2yst s GLU 20 Cb -0.26 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 2yst s GLU 20 CO 0.33 -0.14 0.05 0.00 -0.54 0.00 0.00 175.26 174.96 2yst s ALA 21 N 1.47 0.19 -0.25 6.30 0.00 -0.07 -4.99 121.76 124.42 2yst s ALA 21 Ca 0.06 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 51.03 2yst s ALA 21 Cb -0.15 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2yst s ALA 21 CO 0.03 -0.38 0.11 0.16 0.00 0.00 0.00 175.76 175.68 2yst s ASP 22 N -2.66 5.52 -0.21 0.00 -4.77 -1.26 -1.08 116.67 112.20 2yst s ASP 22 Ca 0.03 -0.09 -0.04 0.00 -3.30 0.00 0.00 52.55 49.14 2yst s ASP 22 Cb 0.04 -2.00 -0.02 0.00 -1.09 0.00 0.00 42.92 39.86 2yst s ASP 22 CO -0.09 -0.01 -0.02 -0.22 0.70 0.00 0.00 175.17 175.53 2yst s LEU 23 N 1.48 3.04 -0.28 2.11 1.98 -0.31 -4.90 118.68 121.81 2yst s LEU 23 Ca 0.06 -0.31 -0.29 0.00 -2.89 0.00 0.00 54.13 50.70 2yst s LEU 23 Cb -0.15 -1.78 -0.01 0.00 0.66 0.00 0.00 46.19 44.91 2yst s LEU 23 CO 0.06 0.01 1.53 0.00 -1.89 0.00 0.00 176.35 176.06 2yst s ALA 24 N 1.30 3.22 0.54 5.97 0.00 -1.26 -0.25 121.76 131.28 2yst s ALA 24 Ca 0.04 0.27 0.47 0.00 0.00 0.00 0.00 51.96 52.74 2yst s ALA 24 Cb -0.14 -3.86 1.69 0.00 0.00 0.00 0.00 23.12 20.80 2yst s ALA 24 CO -0.01 -2.05 1.60 1.05 0.00 0.00 0.00 175.76 176.36 2yst h GLU 25 N 10.62 0.01 -1.13 0.00 4.11 -1.26 1.27 114.58 128.20 2yst h GLU 25 Ca -0.31 -0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.99 2yst h GLU 25 Cb 1.13 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.31 2yst h GLU 25 CO 1.02 0.00 0.16 -1.71 0.07 0.00 0.00 179.01 178.56 2yst n ASN 26 N -4.06 3.63 -4.67 3.06 5.15 -1.26 -3.93 115.26 113.18 2yst n ASN 26 Ca 0.42 -2.43 -0.41 0.00 -0.60 0.00 0.00 54.58 51.56 2yst n ASN 26 Cb 1.88 -0.66 -0.04 0.00 -0.53 0.00 0.00 39.78 40.42 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 0.57 6.88 1.11 1.20 0.01 0.44 -5.04 113.70 118.87 2yst s SER 27 Ca 0.14 1.08 -0.17 0.00 1.31 0.00 0.00 55.95 58.31 2yst s SER 27 Cb 0.11 -2.43 0.14 0.00 0.21 0.00 0.00 66.02 64.05 2yst s SER 27 CO 0.02 -0.38 0.28 0.00 0.41 0.00 0.00 173.24 173.58 2yst n ALA 28 N 5.23 -3.66 0.97 1.44 0.00 -1.26 -4.10 120.51 119.13 2yst n ALA 28 Ca 0.03 -1.18 0.05 0.00 0.00 0.00 0.00 53.44 52.34 2yst n ALA 28 Cb 0.49 -1.66 0.28 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.68 0.49 -1.91 0.00 -0.04 -1.26 -2.74 135.00 126.85 2yst n PRO 29 Ca 0.02 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.49 2yst n PRO 29 Cb 0.59 -1.30 0.03 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.02 1.24 3.73 0.55 0.00 -1.20 -1.85 105.19 107.65 2yst n GLY 30 Ca 0.07 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 2yst n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yst s THR 31 N -1.08 5.09 0.01 2.61 2.01 -1.11 -4.73 115.64 118.44 2yst s THR 31 Ca 0.25 1.13 -0.30 0.00 0.31 0.00 0.00 61.69 63.07 2yst s THR 31 Cb 0.32 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.88 2yst s THR 31 CO -0.10 0.34 1.44 -2.16 -0.69 0.00 0.00 174.62 173.45 2yst s PRO 32 N 0.42 4.27 -0.09 4.92 0.04 -1.26 -0.19 135.00 143.10 2yst s PRO 32 Ca 0.30 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.30 2yst s PRO 32 Cb -0.16 -3.59 -0.02 0.00 0.04 0.00 0.00 34.50 30.77 2yst s PRO 32 CO 0.14 -0.61 -0.13 -0.89 0.04 0.00 0.00 177.00 175.55 2yst n ILE 33 N 4.70 0.81 -3.83 0.56 5.41 0.02 -4.94 119.36 122.08 2yst n ILE 33 Ca 0.14 0.33 -0.06 0.00 1.00 0.00 0.00 62.75 64.16 2yst n ILE 33 Cb 0.43 -1.99 0.01 0.00 -0.71 0.00 0.00 39.64 37.38 2yst n ILE 33 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 2yst s LEU 34 N -6.61 -0.04 0.03 1.39 0.05 -0.81 -4.99 118.68 107.70 2yst s LEU 34 Ca -0.11 -0.85 0.08 0.00 0.05 0.00 0.00 54.13 53.31 2yst s LEU 34 Cb 0.01 2.48 -0.03 0.00 -2.05 0.00 0.00 46.19 46.61 2yst s LEU 34 CO 0.16 -1.32 -0.24 -1.58 -0.55 0.00 0.00 176.35 172.82 2yst s GLN 35 N -2.49 1.74 -0.45 1.48 0.74 -1.26 -0.25 119.66 119.17 2yst s GLN 35 Ca 0.17 -1.00 -0.13 0.00 0.05 0.00 0.00 55.36 54.45 2yst s GLN 35 Cb -0.04 -1.84 0.07 0.00 1.10 0.00 0.00 33.01 32.30 2yst s GLN 35 CO 0.08 0.48 0.34 -0.51 -0.55 0.00 0.00 175.29 175.13 2yst s LEU 36 N -1.04 5.43 0.41 3.68 1.43 -0.90 -4.97 118.68 122.72 2yst s LEU 36 Ca 0.10 -1.38 -0.17 0.00 -1.03 0.00 0.00 54.13 51.66 2yst s LEU 36 Cb -0.10 -2.11 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 2yst s LEU 36 CO 0.01 -0.60 0.86 -0.13 0.23 0.00 0.00 176.35 176.73 2yst s ARG 37 N 1.56 4.03 -0.31 1.70 1.81 -1.26 -4.88 118.95 121.60 2yst s ARG 37 Ca 0.04 0.84 0.13 0.00 -1.72 0.00 0.00 55.73 55.02 2yst s ARG 37 Cb -0.24 -2.28 0.47 0.00 -0.45 0.00 0.00 34.95 32.45 2yst s ARG 37 CO 0.05 -0.02 1.12 0.00 -0.68 0.00 0.00 175.30 175.76 2yst n ALA 38 N -0.86 4.08 -1.11 2.13 0.00 -1.26 -3.86 120.51 119.62 2yst n ALA 38 Ca 0.05 -3.49 -0.43 0.00 0.00 0.00 0.00 53.44 49.57 2yst n ALA 38 Cb 0.54 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 19.31 2yst n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yst n ALA 39 N -0.54 -1.36 0.55 0.00 0.00 -1.24 -4.60 120.51 113.31 2yst n ALA 39 Ca 0.27 0.35 0.06 0.00 0.00 0.00 0.00 53.44 54.12 2yst n ALA 39 Cb 0.84 -1.24 0.03 0.00 0.00 0.00 0.00 19.45 19.07 2yst n ALA 39 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2yst n ASP 40 N 2.19 1.71 -2.27 0.00 8.00 -1.26 -4.35 116.55 120.57 2yst n ASP 40 Ca 0.19 -1.36 -0.19 0.00 0.71 0.00 0.00 54.79 54.14 2yst n ASP 40 Cb -0.01 0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 2yst n ASP 40 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2yst n LEU 41 N 0.24 -1.72 -0.55 0.64 4.77 -1.26 -4.84 117.00 114.29 2yst n LEU 41 Ca 0.06 0.10 0.09 0.00 -0.03 0.00 0.00 56.01 56.23 2yst n LEU 41 Cb 0.29 -2.76 0.21 0.00 -2.33 0.00 0.00 43.42 38.83 2yst n LEU 41 CO 0.12 -0.33 0.64 0.47 -1.33 0.00 0.00 177.39 176.97 2yst n ASP 42 N -1.85 3.12 -2.41 -1.43 8.00 -1.26 -4.95 116.55 115.78 2yst n ASP 42 Ca -0.22 -3.10 -0.07 0.00 0.71 0.00 0.00 54.79 52.11 2yst n ASP 42 Cb 0.67 -0.50 -0.00 0.00 -0.02 0.00 0.00 41.12 41.26 2yst n ASP 42 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2yst n VAL 43 N -0.95 -0.30 0.00 2.53 3.14 -1.26 -4.43 118.33 117.06 2yst n VAL 43 Ca 0.20 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.58 2yst n VAL 43 Cb 0.79 -0.93 0.00 0.00 -1.06 0.00 0.00 33.84 32.64 2yst n VAL 43 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2yst n GLY 44 N -0.64 2.49 2.00 7.55 0.00 -1.26 -5.16 105.19 110.18 2yst n GLY 44 Ca -0.08 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 2yst n GLY 44 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2yst n VAL 45 N 0.23 0.00 0.41 1.61 0.24 -1.26 -4.98 118.33 114.58 2yst n VAL 45 Ca 0.00 -0.93 -0.02 0.00 -2.04 0.00 0.00 64.34 61.35 2yst n VAL 45 Cb 0.00 -0.88 0.09 0.00 -1.47 0.00 0.00 33.84 31.58 2yst n VAL 45 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2yst n ASN 46 N -2.76 2.78 -3.39 -1.34 4.13 -1.26 -4.86 115.26 108.56 2yst n ASN 46 Ca 0.08 -2.36 -0.18 0.00 1.68 0.00 0.00 54.58 53.80 2yst n ASN 46 Cb 0.31 -0.58 0.07 0.00 -1.54 0.00 0.00 39.78 38.04 2yst n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yst n GLY 47 N 0.11 -0.89 2.07 7.41 0.00 -1.26 -4.94 105.19 107.69 2yst n GLY 47 Ca 0.12 0.42 -0.26 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.65 3.48 -3.71 1.61 1.13 -1.26 -4.96 117.38 110.01 2yst n GLN 48 Ca -0.14 -4.04 -0.24 0.00 -1.94 0.00 0.00 57.00 50.63 2yst n GLN 48 Cb 0.63 -2.28 -0.17 0.00 0.11 0.00 0.00 30.24 28.53 2yst n GLN 48 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2yst s ILE 49 N -4.64 0.25 0.40 5.09 -1.09 -1.26 -4.12 121.20 115.84 2yst s ILE 49 Ca 0.53 -0.08 0.08 0.00 -2.23 0.00 0.00 60.65 58.95 2yst s ILE 49 Cb 0.42 -0.62 -0.03 0.00 -1.58 0.00 0.00 42.46 40.65 2yst s ILE 49 CO 0.03 0.01 0.29 -1.83 -1.23 0.00 0.00 174.94 172.21 2yst s GLU 50 N 2.00 2.45 -0.20 2.79 1.03 -1.17 -4.98 118.70 120.61 2yst s GLU 50 Ca 0.03 -1.60 -0.00 0.00 0.03 0.00 0.00 54.97 53.43 2yst s GLU 50 Cb -0.14 -2.25 0.05 0.00 -0.80 0.00 0.00 34.13 30.99 2yst s GLU 50 CO -0.06 -0.11 -0.04 0.71 -1.33 0.00 0.00 175.26 174.42 2yst s TYR 51 N -2.49 1.99 0.37 4.83 1.51 -1.25 -3.54 117.35 118.78 2yst s TYR 51 Ca 0.44 -1.41 0.05 0.00 -1.01 0.00 0.00 57.07 55.14 2yst s TYR 51 Cb -0.01 -1.42 -0.06 0.00 -0.11 0.00 0.00 41.96 40.35 2yst s TYR 51 CO 0.26 -0.70 0.04 0.14 -1.11 0.00 0.00 175.55 174.18 2yst s VAL 52 N 1.53 1.45 -0.06 0.71 -7.23 -0.60 -4.01 120.40 112.19 2yst s VAL 52 Ca -0.03 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.84 2yst s VAL 52 Cb -0.17 -2.81 -0.03 0.00 0.56 0.00 0.00 36.38 33.93 2yst s VAL 52 CO -0.07 0.00 1.11 -0.36 -0.31 0.00 0.00 175.10 175.47 2yst s PHE 53 N -3.06 3.37 0.00 2.82 0.40 -1.26 -0.52 117.98 119.72 2yst s PHE 53 Ca 0.34 1.40 0.00 0.00 -0.60 0.00 0.00 56.93 58.07 2yst s PHE 53 Cb 0.09 -3.31 0.00 0.00 0.51 0.00 0.00 43.02 40.30 2yst s PHE 53 CO 0.16 -0.81 0.00 0.41 0.70 0.00 0.00 175.22 175.68 2yst n GLY 54 N 3.22 0.32 3.01 4.36 0.00 0.17 -4.68 105.19 111.59 2yst n GLY 54 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2yst n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yst s ALA 55 N -4.53 4.06 0.46 4.61 0.00 -1.14 -4.98 121.76 120.24 2yst s ALA 55 Ca 0.00 -3.85 0.04 0.00 0.00 0.00 0.00 51.96 48.14 2yst s ALA 55 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2yst s ALA 55 CO 0.00 -2.12 0.02 0.00 0.00 0.00 0.00 175.76 173.65 2yst s ALA 56 N -1.42 3.59 0.57 0.00 0.00 -1.26 -3.06 121.76 120.18 2yst s ALA 56 Ca 0.26 -1.24 0.08 0.00 0.00 0.00 0.00 51.96 51.07 2yst s ALA 56 Cb -0.06 0.16 0.08 0.00 0.00 0.00 0.00 23.12 23.31 2yst s ALA 56 CO -0.15 -0.09 0.79 0.95 0.00 0.00 0.00 175.76 177.26 2yst s THR 57 N -2.86 2.25 -0.15 0.00 -4.23 -1.26 -4.99 115.64 104.40 2yst s THR 57 Ca 0.19 -0.96 0.21 0.00 -1.18 0.00 0.00 61.69 59.96 2yst s THR 57 Cb 0.05 -2.29 0.22 0.00 1.34 0.00 0.00 72.50 71.83 2yst s THR 57 CO 0.10 0.00 1.64 1.05 -0.54 0.00 0.00 174.62 176.87 2yst h GLU 58 N 0.16 0.00 0.00 3.99 9.09 -2.01 -2.70 114.58 123.11 2yst h GLU 58 Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.09 2yst h GLU 58 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 2yst h GLU 58 CO 0.41 0.23 -0.79 0.45 0.05 0.00 0.00 179.01 179.36 2yst n SER 59 N -3.22 0.67 -0.02 3.06 2.88 -1.26 -3.64 113.62 112.10 2yst n SER 59 Ca 0.02 0.02 -0.09 0.00 -1.33 0.00 0.00 58.87 57.49 2yst n SER 59 Cb 0.55 0.40 -0.14 0.00 -0.75 0.00 0.00 64.21 64.27 2yst n SER 59 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2yst n VAL 60 N -2.09 1.62 0.23 2.46 0.31 -1.16 -2.34 118.33 117.35 2yst n VAL 60 Ca 0.03 -0.79 0.13 0.00 -0.01 0.00 0.00 64.34 63.69 2yst n VAL 60 Cb 0.44 -1.06 0.28 0.00 -0.91 0.00 0.00 33.84 32.59 2yst n VAL 60 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 2yst h ARG 61 N 0.00 0.00 0.00 5.55 0.11 -1.61 -1.99 114.38 116.44 2yst h ARG 61 Ca -0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.79 2yst h ARG 61 Cb 2.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.10 2yst h ARG 61 CO 0.08 0.02 -1.79 2.89 0.10 0.00 0.00 179.97 181.26 2yst n ARG 62 N -3.10 0.61 0.07 0.08 1.85 -1.24 -4.33 116.66 110.59 2yst n ARG 62 Ca 0.03 -0.16 0.08 0.00 -1.00 0.00 0.00 57.85 56.80 2yst n ARG 62 Cb 0.49 -1.46 -0.04 0.00 -1.05 0.00 0.00 32.46 30.40 2yst n ARG 62 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2yst n LEU 63 N -2.10 0.77 -4.16 2.89 7.94 -0.99 -4.25 117.00 117.09 2yst n LEU 63 Ca -0.03 0.31 -0.17 0.00 -1.11 0.00 0.00 56.01 55.01 2yst n LEU 63 Cb 0.49 -0.01 -0.12 0.00 0.53 0.00 0.00 43.42 44.31 2yst n LEU 63 CO 0.41 -0.07 -0.45 -0.76 -1.11 0.00 0.00 177.39 175.41 2yst s LEU 64 N -5.40 2.30 -0.03 -1.96 1.43 -0.75 -2.35 118.68 111.91 2yst s LEU 64 Ca -0.02 -0.64 0.05 0.00 -1.03 0.00 0.00 54.13 52.49 2yst s LEU 64 Cb 0.10 -0.45 -0.01 0.00 0.03 0.00 0.00 46.19 45.86 2yst s LEU 64 CO 0.81 -0.12 -0.18 -0.60 0.23 0.00 0.00 176.35 176.49 2yst s ARG 65 N -1.88 1.71 -0.07 1.70 6.06 -0.27 -4.58 118.95 121.62 2yst s ARG 65 Ca -0.02 -0.66 0.02 0.00 -2.50 0.00 0.00 55.73 52.58 2yst s ARG 65 Cb -0.09 -1.56 0.01 0.00 0.06 0.00 0.00 34.95 33.38 2yst s ARG 65 CO 0.02 0.33 -0.11 -1.17 -2.50 0.00 0.00 175.30 171.86 2yst s LEU 66 N -0.20 1.60 -0.09 -0.88 2.96 -1.26 -0.96 118.68 119.85 2yst s LEU 66 Ca 0.01 -0.28 -0.25 0.00 -0.22 0.00 0.00 54.13 53.39 2yst s LEU 66 Cb -0.10 -0.79 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 2yst s LEU 66 CO 0.01 0.02 0.80 -1.81 -1.32 0.00 0.00 176.35 174.05 2yst s ASP 67 N 0.73 7.06 0.22 3.68 1.01 -0.21 -4.94 116.67 124.22 2yst s ASP 67 Ca -0.13 1.28 0.21 0.00 0.71 0.00 0.00 52.55 54.62 2yst s ASP 67 Cb -0.16 -2.46 0.02 0.00 1.01 0.00 0.00 42.92 41.34 2yst s ASP 67 CO 0.03 -0.24 1.10 -0.08 0.21 0.00 0.00 175.17 176.19 2yst h GLU 68 N 6.96 0.00 0.00 8.23 4.81 -1.90 0.57 114.58 133.25 2yst h GLU 68 Ca -0.37 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.69 2yst h GLU 68 Cb 1.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2yst h GLU 68 CO 0.78 0.06 -0.80 0.00 -0.73 0.00 0.00 179.01 178.32 2yst h THR 69 N 0.00 1.31 0.00 0.32 1.03 -1.92 -3.33 112.91 110.33 2yst h THR 69 Ca -0.02 -2.87 -0.04 0.00 -0.01 0.00 0.00 66.41 63.47 2yst h THR 69 Cb 1.10 2.65 -0.01 0.00 -1.07 0.00 0.00 68.15 70.82 2yst h THR 69 CO 0.01 0.75 -1.14 -1.54 -0.01 0.00 0.00 175.52 173.58 2yst n SER 70 N -3.28 4.24 0.00 0.00 3.41 -1.25 -5.04 113.62 111.70 2yst n SER 70 Ca 0.01 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2yst n SER 70 Cb 0.85 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 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 3.06 0.69 3.74 5.00 0.00 0.20 -4.93 105.19 112.95 2yst n GLY 71 Ca -0.04 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 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 3.64 -0.22 1.61 0.52 -1.20 -2.12 118.94 119.17 2yst s TRP 72 Ca 0.00 1.22 -0.07 0.00 0.02 0.00 0.00 56.10 57.27 2yst s TRP 72 Cb 0.00 -2.69 -0.04 0.00 -1.15 0.00 0.00 33.47 29.59 2yst s TRP 72 CO 0.00 0.24 0.07 -1.17 0.02 0.00 0.00 176.95 176.11 2yst s LEU 73 N 0.21 3.62 0.00 2.99 0.20 0.66 -1.04 118.68 125.31 2yst s LEU 73 Ca 0.34 -0.07 0.05 0.00 0.69 0.00 0.00 54.13 55.14 2yst s LEU 73 Cb -0.18 -1.94 -0.02 0.00 -0.43 0.00 0.00 46.19 43.62 2yst s LEU 73 CO 0.18 0.07 0.26 -1.54 -0.29 0.00 0.00 176.35 175.02 2yst n SER 74 N 4.24 -0.67 -4.89 3.68 3.41 -0.13 -0.80 113.62 118.45 2yst n SER 74 Ca -0.16 -2.72 -0.29 0.00 -0.26 0.00 0.00 58.87 55.44 2yst n SER 74 Cb 0.52 1.48 -0.02 0.00 -0.26 0.00 0.00 64.21 65.93 2yst n SER 74 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2yst s VAL 75 N -3.03 4.89 0.00 -3.33 1.01 0.73 -1.11 120.40 119.57 2yst s VAL 75 Ca 0.31 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2yst s VAL 75 Cb 0.01 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2yst s VAL 75 CO 0.22 -0.56 0.00 -0.11 0.00 0.00 0.00 175.10 174.65 2yst n LEU 76 N -1.47 1.93 -4.13 3.92 7.94 -0.77 -3.24 117.00 121.18 2yst n LEU 76 Ca 0.01 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.77 2yst n LEU 76 Cb 0.54 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.38 2yst n LEU 76 CO 0.49 0.32 -0.41 -1.00 -1.11 0.00 0.00 177.39 175.68 2yst s HIS 77 N -1.87 0.89 0.57 1.96 3.76 -1.11 -4.57 115.29 114.93 2yst s HIS 77 Ca 0.00 -0.60 -0.18 0.00 -0.15 0.00 0.00 55.06 54.13 2yst s HIS 77 Cb 0.00 -0.51 -0.12 0.00 1.11 0.00 0.00 32.58 33.06 2yst s HIS 77 CO 0.00 -0.05 0.06 0.54 -0.85 0.00 0.00 174.74 174.44 2yst n ARG 78 N 0.95 0.16 -4.52 1.40 1.74 -1.26 -4.57 116.66 110.55 2yst n ARG 78 Ca -0.19 0.07 -0.30 0.00 -0.77 0.00 0.00 57.85 56.66 2yst n ARG 78 Cb 0.56 -1.25 -0.17 0.00 -1.02 0.00 0.00 32.46 30.58 2yst n ARG 78 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2yst s ILE 79 N -1.92 1.64 -0.36 0.55 1.01 -1.25 -5.01 121.20 115.86 2yst s ILE 79 Ca 0.60 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 2yst s ILE 79 Cb -0.45 -1.48 0.08 0.00 0.01 0.00 0.00 42.46 40.62 2yst s ILE 79 CO 0.63 0.47 0.11 -0.62 0.00 0.00 0.00 174.94 175.54 2yst s ASP 80 N 0.93 5.09 0.57 3.58 -1.08 -1.26 -4.37 116.67 120.13 2yst s ASP 80 Ca -0.07 -1.72 0.44 0.00 -0.52 0.00 0.00 52.55 50.68 2yst s ASP 80 Cb -0.15 -1.77 1.53 0.00 -1.46 0.00 0.00 42.92 41.07 2yst s ASP 80 CO -0.01 -0.42 1.52 -0.09 0.52 0.00 0.00 175.17 176.69 2yst h ARG 81 N 8.00 0.00 0.10 4.34 1.12 -1.85 0.65 114.38 126.74 2yst h ARG 81 Ca -0.16 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.71 2yst h ARG 81 Cb 1.05 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.01 2yst h ARG 81 CO 0.62 0.00 -0.05 0.93 -3.11 0.00 0.00 179.97 178.36 2yst h GLU 82 N 0.00 -0.14 0.00 0.20 5.08 -1.99 -2.62 114.58 115.11 2yst h GLU 82 Ca 0.80 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 59.13 2yst h GLU 82 Cb 3.47 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 32.75 2yst h GLU 82 CO -0.01 0.02 -0.19 1.05 -1.00 0.00 0.00 179.01 178.88 2yst h GLU 83 N -0.26 0.00 -2.48 2.33 4.11 -0.13 -3.42 114.58 114.72 2yst h GLU 83 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.33 2yst h GLU 83 Cb 0.22 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.21 2yst h GLU 83 CO 0.02 0.19 -0.23 0.14 0.07 0.00 0.00 179.01 179.20 2yst s VAL 84 N -4.22 -0.09 -0.14 -1.06 -7.23 -0.95 -5.03 120.40 101.68 2yst s VAL 84 Ca -0.03 0.08 0.21 0.00 -1.81 0.00 0.00 61.98 60.43 2yst s VAL 84 Cb 0.14 -0.71 -0.16 0.00 0.56 0.00 0.00 36.38 36.21 2yst s VAL 84 CO 0.64 0.03 0.74 -0.46 -0.31 0.00 0.00 175.10 175.74 2yst n ASN 85 N 4.39 0.50 -3.38 4.85 6.94 -1.16 -3.95 115.26 123.44 2yst n ASN 85 Ca -0.21 0.20 0.02 0.00 -0.02 0.00 0.00 54.58 54.56 2yst n ASN 85 Cb 0.55 0.98 -0.04 0.00 -2.36 0.00 0.00 39.78 38.92 2yst n ASN 85 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 2yst s GLN 86 N -3.29 0.33 0.39 -3.83 0.74 -1.26 -3.18 119.66 109.55 2yst s GLN 86 Ca -0.04 0.78 -0.11 0.00 0.05 0.00 0.00 55.36 56.04 2yst s GLN 86 Cb 0.11 0.46 -0.07 0.00 1.10 0.00 0.00 33.01 34.62 2yst s GLN 86 CO 0.84 -0.15 0.75 -0.51 -0.55 0.00 0.00 175.29 175.67 2yst s LEU 87 N 2.58 3.87 -0.25 3.68 1.43 -1.10 -4.99 118.68 123.90 2yst s LEU 87 Ca -0.01 1.12 -0.03 0.00 -1.03 0.00 0.00 54.13 54.18 2yst s LEU 87 Cb -0.08 -3.98 0.14 0.00 0.03 0.00 0.00 46.19 42.30 2yst s LEU 87 CO -0.17 -0.36 0.42 -0.60 0.23 0.00 0.00 176.35 175.86 2yst s ARG 88 N -3.74 0.39 0.23 1.70 3.52 -1.26 -2.73 118.95 117.06 2yst s ARG 88 Ca 0.51 0.62 0.04 0.00 -0.13 0.00 0.00 55.73 56.77 2yst s ARG 88 Cb -0.10 -0.29 -0.02 0.00 -1.56 0.00 0.00 34.95 32.98 2yst s ARG 88 CO 0.30 -0.63 0.15 1.97 -0.81 0.00 0.00 175.30 176.28 2yst n PHE 89 N 5.38 -0.31 -4.06 5.12 1.16 -1.22 -4.91 117.46 118.62 2yst n PHE 89 Ca -0.03 -1.76 -0.13 0.00 -1.87 0.00 0.00 57.45 53.66 2yst n PHE 89 Cb 0.50 0.12 -0.12 0.00 -1.61 0.00 0.00 39.48 38.37 2yst n PHE 89 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 2yst s THR 90 N -2.75 0.41 0.02 1.97 2.01 -1.17 -1.37 115.64 114.75 2yst s THR 90 Ca 0.21 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.53 2yst s THR 90 Cb 0.01 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 2yst s THR 90 CO 0.15 -0.24 -0.21 0.68 -0.69 0.00 0.00 174.62 174.31 2yst s VAL 91 N -0.96 2.51 0.13 3.82 -7.23 -1.08 -0.65 120.40 116.93 2yst s VAL 91 Ca -0.07 -1.16 0.06 0.00 -1.81 0.00 0.00 61.98 59.00 2yst s VAL 91 Cb -0.07 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 2yst s VAL 91 CO 0.00 0.43 0.02 -0.04 -0.31 0.00 0.00 175.10 175.20 2yst s MET 92 N -1.12 2.55 -0.20 4.82 -1.94 0.32 -1.76 119.30 121.96 2yst s MET 92 Ca 0.12 -0.92 -0.02 0.00 -1.71 0.00 0.00 55.69 53.16 2yst s MET 92 Cb -0.10 -2.50 0.06 0.00 2.01 0.00 0.00 34.83 34.30 2yst s MET 92 CO 0.02 0.51 0.02 0.00 -0.01 0.00 0.00 175.02 175.56 2yst s ALA 93 N -1.50 1.18 0.22 3.03 0.00 -0.88 -1.56 121.76 122.27 2yst s ALA 93 Ca 0.27 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 51.21 2yst s ALA 93 Cb -0.11 -1.24 -0.08 0.00 0.00 0.00 0.00 23.12 21.69 2yst s ALA 93 CO 0.19 -1.20 0.70 1.03 0.00 0.00 0.00 175.76 176.48 2yst s ARG 94 N 1.77 4.17 0.03 0.00 0.52 -1.23 -2.65 118.95 121.56 2yst s ARG 94 Ca -0.01 0.77 0.00 0.00 -0.52 0.00 0.00 55.73 55.97 2yst s ARG 94 Cb -0.17 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 32.48 2yst s ARG 94 CO -0.08 0.37 0.00 -3.47 0.02 0.00 0.00 175.30 172.14 2yst n ASP 95 N 0.57 0.02 -3.78 0.23 -0.08 -1.26 -3.07 116.55 109.18 2yst n ASP 95 Ca -0.02 0.06 -0.13 0.00 -1.51 0.00 0.00 54.79 53.19 2yst n ASP 95 Cb 0.51 0.03 -0.10 0.00 2.34 0.00 0.00 41.12 43.91 2yst n ASP 95 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2yst s ARG 96 N -1.13 0.52 0.00 -0.67 0.52 -1.26 -4.87 118.95 112.05 2yst s ARG 96 Ca 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 55.73 55.21 2yst s ARG 96 Cb 0.00 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.70 2yst s ARG 96 CO 0.00 -0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.61 2yst n GLY 97 N 1.92 3.12 2.62 -3.53 0.00 -1.26 -0.55 105.19 107.50 2yst n GLY 97 Ca -0.19 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 2yst n GLY 97 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2yst s GLN 98 N -3.24 0.72 0.52 1.61 -2.07 -1.26 0.24 119.66 116.19 2yst s GLN 98 Ca 0.00 -1.29 -0.20 0.00 -1.82 0.00 0.00 55.36 52.05 2yst s GLN 98 Cb 0.00 -1.74 -0.06 0.00 -1.09 0.00 0.00 33.01 30.12 2yst s GLN 98 CO 0.00 -1.10 1.14 -1.25 -1.32 0.00 0.00 175.29 172.76 2yst s PRO 99 N 1.23 3.46 0.44 9.60 0.04 -1.26 -5.13 135.00 143.38 2yst s PRO 99 Ca 0.14 1.65 -0.24 0.00 0.04 0.00 0.00 61.00 62.59 2yst s PRO 99 Cb -0.21 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 32.15 2yst s PRO 99 CO -0.13 -0.77 1.17 -1.25 0.04 0.00 0.00 177.00 176.06 2yst s PRO 100 N -3.14 3.83 -0.77 0.56 0.04 0.66 -4.86 135.00 131.32 2yst s PRO 100 Ca 0.70 1.80 -0.24 0.00 0.04 0.00 0.00 61.00 63.31 2yst s PRO 100 Cb -0.25 -2.48 -0.16 0.00 0.04 0.00 0.00 34.50 31.65 2yst s PRO 100 CO 0.29 -0.50 2.40 1.63 0.04 0.00 0.00 177.00 180.86 2yst n LYS 101 N -0.34 0.54 -3.22 4.56 4.76 0.29 -4.76 118.16 119.98 2yst n LYS 101 Ca 0.06 -0.40 -0.39 0.00 -2.87 0.00 0.00 58.31 54.72 2yst n LYS 101 Cb 0.47 -2.95 -0.06 0.00 -1.84 0.00 0.00 35.03 30.65 2yst n LYS 101 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2yst s THR 102 N 11.06 5.11 -0.16 -0.18 -4.23 -1.26 -3.99 115.64 121.98 2yst s THR 102 Ca 1.05 1.04 -0.07 0.00 -1.18 0.00 0.00 61.69 62.54 2yst s THR 102 Cb -0.38 -3.87 -0.04 0.00 1.34 0.00 0.00 72.50 69.55 2yst s THR 102 CO 0.25 0.21 0.07 -0.62 -0.54 0.00 0.00 174.62 174.00 2yst s ASP 103 N 0.97 5.69 0.02 3.99 -1.08 -1.08 -4.82 116.67 120.36 2yst s ASP 103 Ca 0.27 0.14 -0.09 0.00 -0.52 0.00 0.00 52.55 52.34 2yst s ASP 103 Cb -0.16 -1.92 -0.05 0.00 -1.46 0.00 0.00 42.92 39.33 2yst s ASP 103 CO 0.11 0.23 0.33 -0.54 0.52 0.00 0.00 175.17 175.81 2yst s LYS 104 N 0.06 3.70 -0.17 4.34 1.02 -1.26 -2.06 119.74 125.36 2yst s LYS 104 Ca 0.06 0.10 -0.04 0.00 0.02 0.00 0.00 55.97 56.11 2yst s LYS 104 Cb -0.12 -3.09 0.07 0.00 -0.52 0.00 0.00 37.83 34.18 2yst s LYS 104 CO 0.01 0.64 0.16 0.00 -0.92 0.00 0.00 175.35 175.23 2yst s ALA 105 N -1.27 0.03 0.48 5.17 0.00 -0.72 -4.96 121.76 120.50 2yst s ALA 105 Ca 0.28 0.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.06 2yst s ALA 105 Cb -0.14 -1.13 -0.07 0.00 0.00 0.00 0.00 23.12 21.78 2yst s ALA 105 CO 0.15 -1.10 1.40 2.41 0.00 0.00 0.00 175.76 178.62 2yst n THR 106 N 5.30 3.11 -3.72 0.00 -1.04 -0.87 -2.62 114.28 114.45 2yst n THR 106 Ca -0.06 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.15 2yst n THR 106 Cb 0.49 -1.77 -0.15 0.00 -1.82 0.00 0.00 70.33 67.08 2yst n THR 106 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2yst s VAL 107 N -1.22 0.81 -0.20 12.58 1.01 -0.47 0.28 120.40 133.18 2yst s VAL 107 Ca 0.64 -1.35 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 2yst s VAL 107 Cb -0.44 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2yst s VAL 107 CO 0.55 -0.68 0.58 -0.69 0.00 0.00 0.00 175.10 174.86 2yst s VAL 108 N 1.65 5.05 -0.25 2.92 1.01 0.10 -3.36 120.40 127.52 2yst s VAL 108 Ca 0.10 1.08 0.03 0.00 0.00 0.00 0.00 61.98 63.19 2yst s VAL 108 Cb -0.17 -3.90 0.06 0.00 0.00 0.00 0.00 36.38 32.37 2yst s VAL 108 CO -0.26 0.13 -0.12 -0.76 0.00 0.00 0.00 175.10 174.10 2yst s LEU 109 N 1.84 3.35 -0.47 3.92 1.43 -1.10 -0.89 118.68 126.75 2yst s LEU 109 Ca 0.27 -1.34 -0.28 0.00 -1.03 0.00 0.00 54.13 51.75 2yst s LEU 109 Cb -0.16 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.55 2yst s LEU 109 CO 0.10 -0.18 1.06 0.20 0.23 0.00 0.00 176.35 177.76 2yst s ASN 110 N 1.12 6.59 -0.83 2.29 0.01 -0.24 -2.71 114.94 121.16 2yst s ASN 110 Ca -0.08 0.35 -0.25 0.00 -0.71 0.00 0.00 52.86 52.17 2yst s ASN 110 Cb -0.19 -2.51 -0.07 0.00 0.41 0.00 0.00 41.25 38.88 2yst s ASN 110 CO -0.06 -1.17 2.08 -0.63 -1.51 0.00 0.00 177.10 175.82 2yst s ILE 111 N 4.17 3.30 0.91 0.60 -1.09 -1.19 -1.16 121.20 126.74 2yst s ILE 111 Ca 0.44 -0.21 -0.15 0.00 -2.23 0.00 0.00 60.65 58.50 2yst s ILE 111 Cb -0.08 -3.69 0.21 0.00 -1.58 0.00 0.00 42.46 37.31 2yst s ILE 111 CO 0.29 -0.65 1.23 0.29 -1.23 0.00 0.00 174.94 174.87 2yst n LYS 112 N 8.88 -1.14 -4.05 2.79 4.76 0.66 -4.75 118.16 125.31 2yst n LYS 112 Ca 0.40 -1.99 -0.18 0.00 -2.87 0.00 0.00 58.31 53.68 2yst n LYS 112 Cb 0.47 -1.24 -0.16 0.00 -1.84 0.00 0.00 35.03 32.25 2yst n LYS 112 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2yst s ASP 113 N -5.53 0.62 0.00 4.39 -1.08 -1.26 -0.80 116.67 113.02 2yst s ASP 113 Ca 0.70 -0.07 0.06 0.00 -0.52 0.00 0.00 52.55 52.72 2yst s ASP 113 Cb -0.02 -0.29 -0.24 0.00 -1.46 0.00 0.00 42.92 40.91 2yst s ASP 113 CO 0.49 -0.06 0.85 -0.33 0.52 0.00 0.00 175.17 176.64 2yst h GLU 114 N 7.06 0.08 0.00 4.34 4.39 -1.98 -3.32 114.58 125.15 2yst h GLU 114 Ca -0.39 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.13 2yst h GLU 114 Cb 1.15 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 2yst h GLU 114 CO 0.48 0.82 -0.21 -0.97 -1.16 0.00 0.00 179.01 177.97 2yst h ASN 115 N 0.02 0.00 -0.70 1.42 -1.24 -2.02 -2.87 115.58 110.19 2yst h ASN 115 Ca -0.21 0.00 -0.41 0.00 0.71 0.00 0.00 56.30 56.39 2yst h ASN 115 Cb 1.95 0.00 -0.21 0.00 0.73 0.00 0.00 38.32 40.79 2yst h ASN 115 CO 0.11 0.21 0.52 -0.90 -1.29 0.00 0.00 177.43 176.08 2yst n ASP 116 N -3.43 4.89 -4.67 1.15 5.75 -1.25 -4.93 116.55 114.07 2yst n ASP 116 Ca -0.00 -3.22 -0.41 0.00 -0.01 0.00 0.00 54.79 51.14 2yst n ASP 116 Cb 0.40 -0.85 -0.04 0.00 -1.03 0.00 0.00 41.12 39.60 2yst n ASP 116 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2yst s ASN 117 N -0.64 6.96 0.28 -1.12 6.03 -1.09 -4.99 114.94 120.37 2yst s ASN 117 Ca 0.42 1.18 -0.30 0.00 -1.03 0.00 0.00 52.86 53.13 2yst s ASN 117 Cb 0.34 -2.45 -0.13 0.00 -3.03 0.00 0.00 41.25 35.98 2yst s ASN 117 CO 0.04 -0.37 1.33 0.55 -2.03 0.00 0.00 177.10 176.62 2yst n VAL 118 N 4.66 1.41 0.98 3.54 3.14 -1.26 -5.14 118.33 125.65 2yst n VAL 118 Ca 0.04 -0.35 0.08 0.00 -2.96 0.00 0.00 64.34 61.14 2yst n VAL 118 Cb 0.49 -1.45 0.46 0.00 -1.06 0.00 0.00 33.84 32.28 2yst n VAL 118 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56