#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yst s SER 2 N 0.00 0.10 0.37 1.61 1.04 -1.26 -5.07 113.70 110.48 2yst s SER 2 Ca 0.00 0.60 0.08 0.00 0.48 0.00 0.00 55.95 57.11 2yst s SER 2 Cb 0.00 0.63 -0.06 0.00 0.10 0.00 0.00 66.02 66.69 2yst s SER 2 CO 0.00 -0.21 0.06 -0.94 0.98 0.00 0.00 173.24 173.13 2yst s SER 3 N 2.01 4.23 -1.08 7.02 1.04 -1.26 -5.08 113.70 120.59 2yst s SER 3 Ca -0.03 -1.05 -0.11 0.00 0.48 0.00 0.00 55.95 55.24 2yst s SER 3 Cb -0.11 -0.51 0.24 0.00 0.10 0.00 0.00 66.02 65.74 2yst s SER 3 CO -0.09 -0.35 1.13 -0.83 0.98 0.00 0.00 173.24 174.08 2yst s GLY 4 N -3.77 2.95 0.31 7.32 0.00 -1.26 -5.03 107.32 107.83 2yst s GLY 4 Ca 0.37 -3.64 -0.28 0.00 0.00 0.00 0.00 44.72 41.16 2yst s GLY 4 CO 0.20 1.49 1.23 1.44 0.00 0.00 0.00 173.10 177.46 2yst n SER 5 N 3.60 2.37 -4.32 1.64 7.64 -1.26 -1.62 113.62 121.66 2yst n SER 5 Ca 0.25 1.19 -0.37 0.00 1.01 0.00 0.00 58.87 60.95 2yst n SER 5 Cb 0.41 -1.42 -0.05 0.00 -1.01 0.00 0.00 64.21 62.14 2yst n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yst n SER 6 N 1.08 -1.96 -3.63 6.43 2.88 -1.26 -4.90 113.62 112.25 2yst n SER 6 Ca 0.07 -1.13 -0.11 0.00 -1.33 0.00 0.00 58.87 56.37 2yst n SER 6 Cb 0.34 -2.24 -0.07 0.00 -0.75 0.00 0.00 64.21 61.49 2yst n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yst s GLY 7 N -3.52 -0.27 -0.25 0.46 0.00 -0.64 -5.14 107.32 97.96 2yst s GLY 7 Ca 0.61 2.45 0.02 0.00 0.00 0.00 0.00 44.72 47.80 2yst s GLY 7 CO 0.97 1.75 -0.07 0.21 0.00 0.00 0.00 173.10 175.96 2yst s ASN 8 N 0.16 4.10 0.15 1.64 2.47 -1.26 -4.57 114.94 117.62 2yst s ASN 8 Ca 0.02 -1.27 0.06 0.00 0.42 0.00 0.00 52.86 52.08 2yst s ASN 8 Cb -0.05 -1.33 -0.04 0.00 -1.45 0.00 0.00 41.25 38.38 2yst s ASN 8 CO -0.04 -0.22 -0.13 -1.81 -3.72 0.00 0.00 177.10 171.18 2yst s ASP 9 N 1.28 2.05 -0.56 -4.21 1.01 -1.26 -5.11 116.67 109.86 2yst s ASP 9 Ca -0.07 -0.91 0.04 0.00 0.71 0.00 0.00 52.55 52.32 2yst s ASP 9 Cb -0.19 -0.07 0.14 0.00 1.01 0.00 0.00 42.92 43.81 2yst s ASP 9 CO -0.06 -0.20 0.33 0.21 0.21 0.00 0.00 175.17 175.65 2yst s ASN 10 N -2.83 4.36 0.03 0.27 3.84 -1.26 -5.07 114.94 114.28 2yst s ASN 10 Ca 0.14 -3.22 -0.02 0.00 0.21 0.00 0.00 52.86 49.97 2yst s ASN 10 Cb -0.02 -1.57 -0.02 0.00 -0.55 0.00 0.00 41.25 39.09 2yst s ASN 10 CO 0.03 -0.19 0.00 -0.44 -2.79 0.00 0.00 177.10 173.71 2yst s SER 11 N -0.57 0.27 -0.43 -4.21 0.01 -1.26 -4.93 113.70 102.58 2yst s SER 11 Ca 0.19 -0.60 -0.28 0.00 1.31 0.00 0.00 55.95 56.57 2yst s SER 11 Cb -0.19 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.18 2yst s SER 11 CO -0.05 -0.41 1.75 -2.16 0.41 0.00 0.00 173.24 172.78 2yst s PRO 12 N -2.23 3.17 0.12 12.44 0.04 -1.26 -4.99 135.00 142.28 2yst s PRO 12 Ca -0.09 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.08 2yst s PRO 12 Cb -0.04 -4.22 -0.04 0.00 0.04 0.00 0.00 34.50 30.24 2yst s PRO 12 CO -0.04 -2.06 0.22 0.50 0.04 0.00 0.00 177.00 175.67 2yst s ARG 13 N 5.93 3.31 0.52 4.56 6.06 -1.26 -4.22 118.95 133.85 2yst s ARG 13 Ca 0.73 -0.60 0.02 0.00 -2.50 0.00 0.00 55.73 53.38 2yst s ARG 13 Cb -0.18 -2.92 0.03 0.00 0.06 0.00 0.00 34.95 31.94 2yst s ARG 13 CO 0.30 0.55 0.73 -0.06 -2.50 0.00 0.00 175.30 174.32 2yst s PHE 14 N -1.64 2.88 0.07 5.12 0.08 -1.26 -4.17 117.98 119.06 2yst s PHE 14 Ca 0.34 -0.06 -0.15 0.00 0.12 0.00 0.00 56.93 57.18 2yst s PHE 14 Cb -0.12 -2.66 -0.19 0.00 -0.57 0.00 0.00 43.02 39.48 2yst s PHE 14 CO 0.27 -0.76 1.24 0.93 -0.10 0.00 0.00 175.22 176.80 2yst h GLU 15 N 0.19 0.69 -5.36 0.44 4.39 -1.90 -3.45 114.58 109.57 2yst h GLU 15 Ca -0.42 -0.62 -0.52 0.00 0.34 0.00 0.00 59.36 58.14 2yst h GLU 15 Cb 1.29 0.15 -0.30 0.00 -0.10 0.00 0.00 28.75 29.79 2yst h GLU 15 CO 0.51 1.23 -0.82 0.15 -1.16 0.00 0.00 179.01 178.92 2yst s LYS 16 N -3.57 1.36 0.17 2.33 1.02 -1.26 -4.37 119.74 115.42 2yst s LYS 16 Ca -0.11 -0.55 -0.15 0.00 0.02 0.00 0.00 55.97 55.18 2yst s LYS 16 Cb 0.07 -1.28 0.06 0.00 -0.52 0.00 0.00 37.83 36.16 2yst s LYS 16 CO 0.89 0.30 1.82 0.77 -0.92 0.00 0.00 175.35 178.21 2yst h SER 17 N 5.91 0.49 -3.34 2.83 0.02 -1.95 -3.38 113.55 114.15 2yst h SER 17 Ca -0.35 -0.01 -0.61 0.00 -0.84 0.00 0.00 61.79 59.99 2yst h SER 17 Cb 1.16 -0.11 -0.40 0.00 0.14 0.00 0.00 62.40 63.19 2yst h SER 17 CO 0.48 0.35 -0.74 -0.69 -1.14 0.00 0.00 176.83 175.10 2yst s VAL 18 N -6.15 1.31 -0.88 2.27 1.01 -1.26 -3.14 120.40 113.56 2yst s VAL 18 Ca -0.13 -1.77 -0.26 0.00 0.00 0.00 0.00 61.98 59.82 2yst s VAL 18 Cb 0.12 -1.97 -0.13 0.00 0.00 0.00 0.00 36.38 34.40 2yst s VAL 18 CO 0.73 -0.68 2.23 -0.31 0.00 0.00 0.00 175.10 177.08 2yst s TYR 19 N 1.30 1.35 -0.52 5.22 1.51 -0.45 -4.80 117.35 120.95 2yst s TYR 19 Ca 0.11 1.64 -0.19 0.00 -1.01 0.00 0.00 57.07 57.61 2yst s TYR 19 Cb -0.18 -3.59 0.06 0.00 -0.11 0.00 0.00 41.96 38.14 2yst s TYR 19 CO -0.18 -1.47 0.65 -2.00 -1.11 0.00 0.00 175.55 171.44 2yst s GLU 20 N 8.26 3.12 -0.07 -0.62 2.12 -1.26 -2.10 118.70 128.15 2yst s GLU 20 Ca 0.84 -0.94 0.02 0.00 0.36 0.00 0.00 54.97 55.25 2yst s GLU 20 Cb -0.10 -4.12 0.01 0.00 0.26 0.00 0.00 34.13 30.18 2yst s GLU 20 CO 0.07 -1.29 -0.12 0.00 -0.54 0.00 0.00 175.26 173.39 2yst s ALA 21 N 2.69 1.26 -0.33 6.30 0.00 -0.94 -5.01 121.76 125.74 2yst s ALA 21 Ca 0.15 -0.42 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 2yst s ALA 21 Cb -0.20 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.34 2yst s ALA 21 CO 0.11 0.06 1.10 0.16 0.00 0.00 0.00 175.76 177.20 2yst s ASP 22 N 0.76 6.89 -0.15 0.00 -4.77 -1.26 -2.25 116.67 115.89 2yst s ASP 22 Ca -0.13 1.03 -0.04 0.00 -3.30 0.00 0.00 52.55 50.11 2yst s ASP 22 Cb -0.15 -2.54 -0.03 0.00 -1.09 0.00 0.00 42.92 39.10 2yst s ASP 22 CO 0.03 -0.92 -0.01 -0.22 0.70 0.00 0.00 175.17 174.75 2yst s LEU 23 N 3.77 3.46 -0.19 2.11 1.98 0.80 -4.89 118.68 125.72 2yst s LEU 23 Ca 0.47 -0.02 -0.29 0.00 -2.89 0.00 0.00 54.13 51.40 2yst s LEU 23 Cb -0.12 -1.83 -0.02 0.00 0.66 0.00 0.00 46.19 44.88 2yst s LEU 23 CO 0.17 0.22 1.39 0.00 -1.89 0.00 0.00 176.35 176.24 2yst s ALA 24 N 0.08 3.51 0.30 5.97 0.00 -1.26 -1.65 121.76 128.71 2yst s ALA 24 Ca 0.02 0.44 0.07 0.00 0.00 0.00 0.00 51.96 52.48 2yst s ALA 24 Cb -0.13 -3.72 0.79 0.00 0.00 0.00 0.00 23.12 20.06 2yst s ALA 24 CO 0.02 -1.50 1.73 1.05 0.00 0.00 0.00 175.76 177.07 2yst h GLU 25 N 9.13 0.57 0.00 0.00 -0.00 -1.81 0.76 114.58 123.22 2yst h GLU 25 Ca -0.29 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.36 59.00 2yst h GLU 25 Cb 1.12 -0.13 -0.00 0.00 -0.00 0.00 0.00 28.75 29.74 2yst h GLU 25 CO 0.99 0.38 -0.15 -0.97 -0.00 0.00 0.00 179.01 179.25 2yst h ASN 26 N 0.58 0.00 -0.61 3.06 -0.73 -1.83 -3.26 115.58 112.80 2yst h ASN 26 Ca 0.60 0.00 -0.49 0.00 1.87 0.00 0.00 56.30 58.28 2yst h ASN 26 Cb 1.07 0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.69 2yst h ASN 26 CO -0.46 0.15 0.09 -1.20 -0.37 0.00 0.00 177.43 175.64 2yst n SER 27 N -3.61 0.10 -4.72 1.15 7.64 0.26 -4.81 113.62 109.63 2yst n SER 27 Ca -0.01 0.71 -0.31 0.00 1.01 0.00 0.00 58.87 60.26 2yst n SER 27 Cb 0.28 -0.55 0.13 0.00 -1.01 0.00 0.00 64.21 63.06 2yst n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yst s ALA 28 N 0.26 1.80 -1.16 -0.43 0.00 -1.26 -4.20 121.76 116.76 2yst s ALA 28 Ca 0.56 0.33 -0.23 0.00 0.00 0.00 0.00 51.96 52.62 2yst s ALA 28 Cb -0.79 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 18.92 2yst s ALA 28 CO 0.37 -2.26 1.93 -1.25 0.00 0.00 0.00 175.76 174.55 2yst s PRO 29 N -4.80 2.50 0.00 0.00 0.04 -1.26 -2.36 135.00 129.12 2yst s PRO 29 Ca 0.64 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 60.57 2yst s PRO 29 Cb -0.19 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.11 2yst s PRO 29 CO 0.57 -3.94 0.00 0.41 0.04 0.00 0.00 177.00 174.08 2yst n GLY 30 N 5.88 0.25 3.64 0.56 0.00 -0.96 -4.75 105.19 109.81 2yst n GLY 30 Ca 0.44 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 46.00 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 0.67 -2.25 2.61 -1.04 -0.99 -4.35 114.28 108.92 2yst n THR 31 Ca 0.00 -0.17 -0.39 0.00 -2.04 0.00 0.00 64.05 61.45 2yst n THR 31 Cb 0.00 -1.24 -0.02 0.00 -1.82 0.00 0.00 70.33 67.25 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 -0.08 4.15 -0.05 -2.82 0.04 -1.26 -1.65 135.00 133.33 2yst s PRO 32 Ca 0.73 1.93 -0.08 0.00 0.04 0.00 0.00 61.00 63.62 2yst s PRO 32 Cb -0.74 -2.80 -0.03 0.00 0.04 0.00 0.00 34.50 30.97 2yst s PRO 32 CO 0.48 -0.26 -0.16 -0.89 0.04 0.00 0.00 177.00 176.21 2yst n ILE 33 N 0.31 1.03 -3.50 0.56 5.41 0.17 -4.92 119.36 118.42 2yst n ILE 33 Ca 0.03 0.26 -0.10 0.00 1.00 0.00 0.00 62.75 63.94 2yst n ILE 33 Cb 0.45 -1.86 -0.03 0.00 -0.71 0.00 0.00 39.64 37.49 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 -6.89 -0.42 -0.29 1.39 0.05 -1.13 -5.02 118.68 106.37 2yst s LEU 34 Ca -0.13 0.12 -0.03 0.00 0.05 0.00 0.00 54.13 54.14 2yst s LEU 34 Cb 0.02 2.13 0.04 0.00 -2.05 0.00 0.00 46.19 46.33 2yst s LEU 34 CO 0.19 -0.63 0.00 -1.58 -0.55 0.00 0.00 176.35 173.79 2yst s GLN 35 N -2.77 2.57 0.44 1.48 0.74 -1.26 0.13 119.66 120.99 2yst s GLN 35 Ca 0.02 -1.17 -0.26 0.00 0.05 0.00 0.00 55.36 54.00 2yst s GLN 35 Cb -0.01 -3.19 -0.08 0.00 1.10 0.00 0.00 33.01 30.83 2yst s GLN 35 CO -0.07 -0.57 1.42 -0.51 -0.55 0.00 0.00 175.29 175.02 2yst s LEU 36 N 1.30 4.14 0.05 3.68 1.02 -0.50 -4.98 118.68 123.38 2yst s LEU 36 Ca -0.03 2.91 0.02 0.00 0.02 0.00 0.00 54.13 57.05 2yst s LEU 36 Cb -0.19 -3.91 -0.03 0.00 0.02 0.00 0.00 46.19 42.08 2yst s LEU 36 CO -0.01 -1.13 -0.08 -0.13 0.02 0.00 0.00 176.35 175.02 2yst s ARG 37 N -2.41 0.56 -0.44 1.70 1.81 -1.26 -4.82 118.95 114.09 2yst s ARG 37 Ca 0.60 -0.83 0.04 0.00 -1.72 0.00 0.00 55.73 53.82 2yst s ARG 37 Cb -0.43 -0.28 0.48 0.00 -0.45 0.00 0.00 34.95 34.26 2yst s ARG 37 CO 0.56 0.04 1.60 0.00 -0.68 0.00 0.00 175.30 176.82 2yst n ALA 38 N 1.28 5.41 -3.36 2.13 0.00 -1.26 -2.96 120.51 121.75 2yst n ALA 38 Ca -0.22 -3.50 -0.09 0.00 0.00 0.00 0.00 53.44 49.64 2yst n ALA 38 Cb 0.55 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.90 -1.30 0.22 0.00 0.00 -1.26 -4.70 120.51 112.57 2yst n ALA 39 Ca 0.50 -0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.92 2yst n ALA 39 Cb 0.91 -0.38 0.41 0.00 0.00 0.00 0.00 19.45 20.39 2yst n ALA 39 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2yst h ASP 40 N 1.09 0.00 -2.55 0.00 3.32 -1.92 -3.47 116.42 112.88 2yst h ASP 40 Ca -0.16 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.51 2yst h ASP 40 Cb 0.32 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 2yst h ASP 40 CO 0.14 0.20 -0.48 0.18 -1.72 0.00 0.00 179.24 177.57 2yst n LEU 41 N -3.29 -1.83 -1.30 1.55 4.77 -1.26 -4.86 117.00 110.78 2yst n LEU 41 Ca 0.01 0.03 0.04 0.00 -0.03 0.00 0.00 56.01 56.06 2yst n LEU 41 Cb 0.46 -2.72 0.07 0.00 -2.33 0.00 0.00 43.42 38.90 2yst n LEU 41 CO 0.33 -0.27 0.14 0.47 -1.33 0.00 0.00 177.39 176.73 2yst n ASP 42 N -1.59 1.25 -4.09 -1.43 8.00 -1.26 -5.00 116.55 112.43 2yst n ASP 42 Ca -0.22 -2.53 -0.28 0.00 0.71 0.00 0.00 54.79 52.47 2yst n ASP 42 Cb 0.67 -0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 41.35 2yst n ASP 42 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2yst n VAL 43 N 0.02 -2.28 -1.25 2.53 0.31 -1.26 -3.31 118.33 113.09 2yst n VAL 43 Ca 0.10 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 2yst n VAL 43 Cb 1.02 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 2yst n VAL 43 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2yst n GLY 44 N -2.22 0.38 3.55 2.92 0.00 -1.26 -5.01 105.19 103.56 2yst n GLY 44 Ca -0.32 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 2yst n GLY 44 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2yst n VAL 45 N -1.03 2.83 -0.40 1.61 3.14 -1.21 -4.79 118.33 118.48 2yst n VAL 45 Ca 0.00 -0.50 0.36 0.00 -2.96 0.00 0.00 64.34 61.24 2yst n VAL 45 Cb 0.42 -0.96 0.63 0.00 -1.06 0.00 0.00 33.84 32.87 2yst n VAL 45 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 2yst h ASN 46 N 0.65 0.27 -0.37 6.55 2.35 -1.95 -3.10 115.58 119.99 2yst h ASN 46 Ca -0.46 0.19 -0.58 0.00 -0.55 0.00 0.00 56.30 54.90 2yst h ASN 46 Cb 1.37 0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.91 2yst h ASN 46 CO 0.51 -0.31 2.09 0.61 -1.65 0.00 0.00 177.43 178.69 2yst n GLY 47 N -1.41 2.50 3.46 2.83 0.00 -1.26 -4.86 105.19 106.45 2yst n GLY 47 Ca 0.38 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 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 7.57 0.71 -0.80 1.61 6.02 -1.17 -4.88 117.38 126.44 2yst n GLN 48 Ca 0.49 -1.74 -0.27 0.00 -0.01 0.00 0.00 57.00 55.47 2yst n GLN 48 Cb 0.43 -3.31 -0.01 0.00 1.02 0.00 0.00 30.24 28.37 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 7.63 0.92 -2.51 5.09 2.08 -1.26 -4.83 119.36 126.48 2yst n ILE 49 Ca 0.45 -0.29 -0.33 0.00 0.56 0.00 0.00 62.75 63.14 2yst n ILE 49 Cb 0.44 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.29 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 -0.58 3.94 -0.47 0.38 8.01 -0.99 -4.81 118.70 124.17 2yst s GLU 50 Ca 0.36 1.10 0.06 0.00 0.01 0.00 0.00 54.97 56.50 2yst s GLU 50 Cb -0.49 -2.13 0.20 0.00 -4.31 0.00 0.00 34.13 27.40 2yst s GLU 50 CO 0.34 -0.28 0.46 0.66 0.01 0.00 0.00 175.26 176.44 2yst n TYR 51 N -1.24 0.32 -2.69 1.61 4.01 -1.25 -3.43 117.16 114.50 2yst n TYR 51 Ca 0.07 -3.62 -0.22 0.00 -0.16 0.00 0.00 57.90 53.97 2yst n TYR 51 Cb 0.54 -0.14 0.09 0.00 -0.31 0.00 0.00 39.34 39.52 2yst n TYR 51 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2yst s VAL 52 N -0.81 2.21 -1.11 -0.72 -7.23 -1.11 -4.12 120.40 107.51 2yst s VAL 52 Ca 0.33 -0.69 -0.16 0.00 -1.81 0.00 0.00 61.98 59.65 2yst s VAL 52 Cb 0.08 -2.52 0.15 0.00 0.56 0.00 0.00 36.38 34.64 2yst s VAL 52 CO -0.15 0.00 1.35 -0.36 -0.31 0.00 0.00 175.10 175.63 2yst s PHE 53 N -2.99 3.29 0.00 2.82 0.08 -1.26 -2.04 117.98 117.87 2yst s PHE 53 Ca 0.64 -1.80 0.00 0.00 0.12 0.00 0.00 56.93 55.89 2yst s PHE 53 Cb -0.06 -4.35 0.00 0.00 -0.57 0.00 0.00 43.02 38.04 2yst s PHE 53 CO 0.42 -1.47 0.64 0.41 -0.10 0.00 0.00 175.22 175.12 2yst n GLY 54 N 4.77 -3.40 2.88 4.36 0.00 -0.82 -4.06 105.19 108.93 2yst n GLY 54 Ca 0.33 0.59 -0.29 0.00 0.00 0.00 0.00 46.02 46.66 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 -3.09 3.52 0.50 4.61 0.00 -1.04 -4.93 121.76 121.33 2yst s ALA 55 Ca 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 51.96 48.37 2yst s ALA 55 Cb 0.00 -2.13 -0.00 0.00 0.00 0.00 0.00 23.12 20.99 2yst s ALA 55 CO 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 175.76 173.69 2yst n ALA 56 N 2.35 0.43 -2.54 0.00 0.00 -1.26 -1.54 120.51 117.96 2yst n ALA 56 Ca 0.16 -2.25 -0.24 0.00 0.00 0.00 0.00 53.44 51.12 2yst n ALA 56 Cb 0.35 1.24 -0.09 0.00 0.00 0.00 0.00 19.45 20.94 2yst n ALA 56 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2yst s THR 57 N -2.82 2.84 0.15 0.00 -4.23 -1.26 -5.00 115.64 105.32 2yst s THR 57 Ca 0.01 -2.20 -0.18 0.00 -1.18 0.00 0.00 61.69 58.13 2yst s THR 57 Cb 0.00 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.35 2yst s THR 57 CO 0.00 -0.38 1.68 -0.08 -0.54 0.00 0.00 174.62 175.31 2yst h GLU 58 N 2.10 -0.00 -0.47 3.99 4.81 -2.02 0.39 114.58 123.37 2yst h GLU 58 Ca -0.42 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.89 2yst h GLU 58 Cb 1.26 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.57 2yst h GLU 58 CO 0.61 -0.00 0.13 1.03 -0.73 0.00 0.00 179.01 180.04 2yst h SER 59 N -0.00 0.08 -0.30 1.04 0.87 -1.98 0.12 113.55 113.37 2yst h SER 59 Ca 0.15 0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.67 2yst h SER 59 Cb 0.23 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2yst h SER 59 CO -0.32 0.07 -0.22 0.58 -0.53 0.00 0.00 176.83 176.41 2yst h VAL 60 N 0.28 1.27 -0.42 2.23 2.07 -1.76 0.58 116.25 120.49 2yst h VAL 60 Ca 0.23 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 2yst h VAL 60 Cb 0.28 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2yst h VAL 60 CO -0.28 0.44 0.14 0.03 0.02 0.00 0.00 177.57 177.93 2yst h ARG 61 N 0.68 0.65 0.04 1.57 3.08 0.66 0.44 114.38 121.50 2yst h ARG 61 Ca 0.10 -0.14 -0.24 0.00 0.07 0.00 0.00 59.98 59.77 2yst h ARG 61 Cb 0.73 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 2yst h ARG 61 CO 0.06 0.63 -1.13 0.07 -1.07 0.00 0.00 179.97 178.53 2yst h ARG 62 N 0.53 0.08 -0.07 0.04 0.11 -0.72 -3.30 114.38 111.07 2yst h ARG 62 Ca 0.14 -0.14 -0.19 0.00 0.10 0.00 0.00 59.98 59.88 2yst h ARG 62 Cb 0.25 0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.38 2yst h ARG 62 CO -0.01 1.04 -0.76 1.25 0.10 0.00 0.00 179.97 181.59 2yst h LEU 63 N 0.02 0.49 -8.49 0.08 5.85 0.28 -3.36 115.31 110.18 2yst h LEU 63 Ca -0.07 -0.33 -0.58 0.00 0.84 0.00 0.00 57.88 57.74 2yst h LEU 63 Cb 1.85 -0.15 -0.27 0.00 0.37 0.00 0.00 40.66 42.46 2yst h LEU 63 CO 0.15 1.08 -0.84 -0.76 -0.34 0.00 0.00 178.44 177.73 2yst s LEU 64 N -7.91 2.12 -0.18 2.25 1.43 0.15 -1.70 118.68 114.84 2yst s LEU 64 Ca -0.06 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2yst s LEU 64 Cb 0.10 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 2yst s LEU 64 CO 0.84 0.19 -0.09 -0.60 0.23 0.00 0.00 176.35 176.92 2yst s ARG 65 N -0.93 3.35 0.04 1.70 6.06 -0.44 -4.38 118.95 124.34 2yst s ARG 65 Ca 0.07 -0.66 0.07 0.00 -2.50 0.00 0.00 55.73 52.71 2yst s ARG 65 Cb -0.08 -2.83 -0.03 0.00 0.06 0.00 0.00 34.95 32.06 2yst s ARG 65 CO 0.01 -0.04 -0.18 -1.17 -2.50 0.00 0.00 175.30 171.42 2yst s LEU 66 N 1.02 2.58 0.33 -0.88 2.96 -1.26 -2.28 118.68 121.16 2yst s LEU 66 Ca -0.00 -0.42 0.07 0.00 -0.22 0.00 0.00 54.13 53.55 2yst s LEU 66 Cb -0.15 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 2yst s LEU 66 CO -0.01 0.26 0.35 -1.81 -1.32 0.00 0.00 176.35 173.82 2yst s ASP 67 N -1.38 5.54 0.00 3.68 1.11 -1.18 -5.00 116.67 119.44 2yst s ASP 67 Ca 0.14 -0.38 0.00 0.00 0.18 0.00 0.00 52.55 52.50 2yst s ASP 67 Cb -0.10 -1.08 0.00 0.00 1.07 0.00 0.00 42.92 42.80 2yst s ASP 67 CO 0.05 -0.37 0.00 -1.84 1.18 0.00 0.00 175.17 174.19 2yst n GLU 68 N -1.46 2.06 -0.20 8.23 0.00 -1.26 -4.08 120.64 123.93 2yst n GLU 68 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.05 2yst n GLU 68 Cb 0.59 -0.85 0.02 0.00 0.00 0.00 0.00 31.44 31.20 2yst n GLU 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2yst h THR 69 N 0.00 1.26 0.00 3.84 1.03 -1.87 -3.31 112.91 113.86 2yst h THR 69 Ca 0.00 -1.13 -0.24 0.00 -0.01 0.00 0.00 66.41 65.03 2yst h THR 69 Cb 0.71 0.84 -0.04 0.00 -1.07 0.00 0.00 68.15 68.59 2yst h THR 69 CO 0.00 0.41 -1.86 -1.54 -0.01 0.00 0.00 175.52 172.52 2yst n SER 70 N -4.22 2.12 -0.17 0.00 3.41 -1.26 -4.87 113.62 108.62 2yst n SER 70 Ca 0.02 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2yst n SER 70 Cb 0.34 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 2.47 0.61 3.20 5.00 0.00 -1.26 -4.92 105.19 110.29 2yst n GLY 71 Ca -0.28 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.58 2.87 -0.03 1.61 0.52 -1.26 -1.42 118.94 119.65 2yst s TRP 72 Ca 0.00 -1.38 -0.16 0.00 0.02 0.00 0.00 56.10 54.58 2yst s TRP 72 Cb 0.00 -2.00 -0.05 0.00 -1.15 0.00 0.00 33.47 30.27 2yst s TRP 72 CO 0.00 -0.71 0.43 -1.17 0.02 0.00 0.00 176.95 175.52 2yst s LEU 73 N 1.36 4.42 0.24 2.99 2.96 0.12 -3.10 118.68 127.67 2yst s LEU 73 Ca 0.05 0.92 -0.19 0.00 -0.22 0.00 0.00 54.13 54.70 2yst s LEU 73 Cb -0.14 -2.62 0.02 0.00 0.50 0.00 0.00 46.19 43.96 2yst s LEU 73 CO -0.09 0.24 0.61 -0.94 -1.32 0.00 0.00 176.35 174.85 2yst s SER 74 N -0.63 -0.26 0.51 3.68 1.04 -0.97 -0.66 113.70 116.43 2yst s SER 74 Ca 0.24 -0.57 -0.18 0.00 0.48 0.00 0.00 55.95 55.91 2yst s SER 74 Cb -0.16 0.65 -0.07 0.00 0.10 0.00 0.00 66.02 66.53 2yst s SER 74 CO 0.12 -1.19 1.02 -0.69 0.98 0.00 0.00 173.24 173.49 2yst s VAL 75 N -3.91 4.04 -0.01 5.02 1.01 -0.66 -1.33 120.40 124.55 2yst s VAL 75 Ca 0.12 1.12 -0.00 0.00 0.00 0.00 0.00 61.98 63.21 2yst s VAL 75 Cb -0.03 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 2yst s VAL 75 CO 0.03 -0.42 -0.01 -0.11 0.00 0.00 0.00 175.10 174.58 2yst n LEU 76 N -1.36 2.44 -4.16 3.92 7.94 -0.69 -2.26 117.00 122.83 2yst n LEU 76 Ca 0.08 -0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.76 2yst n LEU 76 Cb 0.53 -0.04 -0.14 0.00 0.53 0.00 0.00 43.42 44.30 2yst n LEU 76 CO 0.43 0.42 -0.48 -1.00 -1.11 0.00 0.00 177.39 175.65 2yst s HIS 77 N -2.02 1.38 0.13 1.96 3.76 -0.78 -4.65 115.29 115.06 2yst s HIS 77 Ca -0.02 -0.33 -0.32 0.00 -0.15 0.00 0.00 55.06 54.25 2yst s HIS 77 Cb 0.00 -0.84 -0.18 0.00 1.11 0.00 0.00 32.58 32.68 2yst s HIS 77 CO 0.02 0.03 0.70 0.54 -0.85 0.00 0.00 174.74 175.19 2yst n ARG 78 N 2.09 0.00 -4.33 1.40 1.74 -1.26 -4.76 116.66 111.54 2yst n ARG 78 Ca -0.17 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.56 2yst n ARG 78 Cb 0.54 -1.16 -0.09 0.00 -1.02 0.00 0.00 32.46 30.74 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 -0.63 4.39 -0.16 0.55 1.01 -1.23 -5.04 121.20 120.09 2yst s ILE 79 Ca 0.72 -0.25 -0.00 0.00 0.00 0.00 0.00 60.65 61.12 2yst s ILE 79 Cb -1.03 -2.86 0.04 0.00 0.01 0.00 0.00 42.46 38.62 2yst s ILE 79 CO 0.55 0.58 -0.07 -0.62 0.00 0.00 0.00 174.94 175.39 2yst s ASP 80 N -0.96 2.81 0.44 3.58 2.15 -1.26 -4.15 116.67 119.27 2yst s ASP 80 Ca 0.14 -0.64 0.21 0.00 0.43 0.00 0.00 52.55 52.70 2yst s ASP 80 Cb -0.11 -0.95 1.18 0.00 -0.30 0.00 0.00 42.92 42.74 2yst s ASP 80 CO 0.03 -0.17 1.82 -0.09 -0.17 0.00 0.00 175.17 176.60 2yst h ARG 81 N 8.11 0.31 0.28 4.34 1.12 -1.86 -1.32 114.38 125.35 2yst h ARG 81 Ca -0.26 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.58 2yst h ARG 81 Cb 1.11 -0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 31.00 2yst h ARG 81 CO 0.42 0.20 -0.18 1.49 -3.11 0.00 0.00 179.97 178.79 2yst h GLU 82 N 0.31 -0.41 -0.96 0.20 4.81 -1.98 -2.90 114.58 113.65 2yst h GLU 82 Ca 0.52 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.93 2yst h GLU 82 Cb 1.47 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.86 2yst h GLU 82 CO -0.19 -0.27 0.61 1.05 -0.73 0.00 0.00 179.01 179.48 2yst h GLU 83 N -0.42 0.79 -3.90 1.92 4.11 -1.87 -3.39 114.58 111.81 2yst h GLU 83 Ca -0.04 -0.05 -0.41 0.00 0.07 0.00 0.00 59.36 58.94 2yst h GLU 83 Cb 0.34 -0.18 -0.35 0.00 0.50 0.00 0.00 28.75 29.06 2yst h GLU 83 CO 0.03 0.52 -0.77 0.14 0.07 0.00 0.00 179.01 179.01 2yst s VAL 84 N -5.81 0.45 -0.18 -1.06 -7.23 -0.54 -5.02 120.40 101.00 2yst s VAL 84 Ca -0.11 -0.03 0.10 0.00 -1.81 0.00 0.00 61.98 60.14 2yst s VAL 84 Cb 0.23 -0.52 -0.23 0.00 0.56 0.00 0.00 36.38 36.42 2yst s VAL 84 CO 0.80 0.22 0.13 -0.46 -0.31 0.00 0.00 175.10 175.49 2yst n ASN 85 N 4.36 0.89 -3.63 4.85 0.23 -1.13 -3.75 115.26 117.07 2yst n ASN 85 Ca -0.20 0.06 -0.02 0.00 -0.53 0.00 0.00 54.58 53.89 2yst n ASN 85 Cb 0.51 0.25 -0.04 0.00 -2.08 0.00 0.00 39.78 38.41 2yst n ASN 85 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 2yst s GLN 86 N -2.52 0.55 0.87 -3.83 0.74 -1.26 -3.42 119.66 110.79 2yst s GLN 86 Ca -0.17 1.40 -0.13 0.00 0.05 0.00 0.00 55.36 56.51 2yst s GLN 86 Cb 0.07 0.81 0.13 0.00 1.10 0.00 0.00 33.01 35.12 2yst s GLN 86 CO 0.76 -0.22 1.24 -0.51 -0.55 0.00 0.00 175.29 176.01 2yst s LEU 87 N 2.87 2.60 -0.30 3.68 1.02 -1.15 -5.02 118.68 122.38 2yst s LEU 87 Ca -0.04 0.54 -0.12 0.00 0.02 0.00 0.00 54.13 54.53 2yst s LEU 87 Cb -0.12 -2.84 0.18 0.00 0.02 0.00 0.00 46.19 43.42 2yst s LEU 87 CO -0.18 -2.26 1.02 -0.60 0.02 0.00 0.00 176.35 174.36 2yst s ARG 88 N -5.70 0.20 0.33 1.70 3.00 -1.26 -4.08 118.95 113.14 2yst s ARG 88 Ca 0.67 0.31 0.02 0.00 -1.00 0.00 0.00 55.73 55.73 2yst s ARG 88 Cb -0.08 0.17 -0.01 0.00 0.00 0.00 0.00 34.95 35.03 2yst s ARG 88 CO 0.51 -0.25 0.38 -0.59 0.00 0.00 0.00 175.30 175.35 2yst s PHE 89 N 2.95 1.35 0.13 5.12 -0.12 -1.20 -4.90 117.98 121.31 2yst s PHE 89 Ca 0.06 -1.45 0.08 0.00 -0.05 0.00 0.00 56.93 55.57 2yst s PHE 89 Cb -0.08 -0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 41.91 2yst s PHE 89 CO -0.14 -1.01 -0.18 0.99 -0.05 0.00 0.00 175.22 174.82 2yst s THR 90 N -3.24 1.64 -0.04 -4.49 2.01 -0.59 -0.10 115.64 110.83 2yst s THR 90 Ca 0.35 -1.72 0.04 0.00 0.31 0.00 0.00 61.69 60.67 2yst s THR 90 Cb 0.01 -1.64 -0.00 0.00 0.01 0.00 0.00 72.50 70.87 2yst s THR 90 CO 0.23 -0.25 -0.17 0.68 -0.69 0.00 0.00 174.62 174.42 2yst s VAL 91 N -1.74 1.44 0.24 3.82 -7.23 -0.45 -1.94 120.40 114.55 2yst s VAL 91 Ca 0.10 -0.72 0.05 0.00 -1.81 0.00 0.00 61.98 59.60 2yst s VAL 91 Cb -0.07 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 2yst s VAL 91 CO 0.05 0.42 0.32 -0.04 -0.31 0.00 0.00 175.10 175.54 2yst s MET 92 N 0.05 3.32 -0.22 4.82 -1.94 -0.87 -1.25 119.30 123.21 2yst s MET 92 Ca -0.04 -0.82 -0.03 0.00 -1.71 0.00 0.00 55.69 53.08 2yst s MET 92 Cb -0.12 -2.82 0.07 0.00 2.01 0.00 0.00 34.83 33.98 2yst s MET 92 CO 0.02 0.42 0.07 0.00 -0.01 0.00 0.00 175.02 175.53 2yst s ALA 93 N -2.01 0.92 -0.00 3.03 0.00 -0.97 -2.75 121.76 119.98 2yst s ALA 93 Ca 0.34 -0.85 -0.24 0.00 0.00 0.00 0.00 51.96 51.21 2yst s ALA 93 Cb -0.09 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 2yst s ALA 93 CO 0.28 -1.33 0.73 1.03 0.00 0.00 0.00 175.76 176.47 2yst s ARG 94 N 1.91 4.46 0.37 0.00 0.52 -1.22 -3.22 118.95 121.77 2yst s ARG 94 Ca 0.03 0.98 0.05 0.00 -0.52 0.00 0.00 55.73 56.27 2yst s ARG 94 Cb -0.17 -3.40 -0.00 0.00 0.52 0.00 0.00 34.95 31.90 2yst s ARG 94 CO -0.16 0.19 0.53 0.34 0.02 0.00 0.00 175.30 176.22 2yst s ASP 95 N 0.30 5.89 -0.05 0.23 2.15 -1.19 -2.35 116.67 121.66 2yst s ASP 95 Ca 0.38 -0.12 -0.02 0.00 0.43 0.00 0.00 52.55 53.23 2yst s ASP 95 Cb -0.19 -1.22 -0.05 0.00 -0.30 0.00 0.00 42.92 41.16 2yst s ASP 95 CO 0.21 -0.53 2.44 -2.11 -0.17 0.00 0.00 175.17 175.00 2yst n ARG 96 N -1.76 1.38 -3.51 4.34 1.85 -1.26 -4.64 116.66 113.06 2yst n ARG 96 Ca 0.01 -0.49 -0.16 0.00 -1.00 0.00 0.00 57.85 56.21 2yst n ARG 96 Cb 0.58 -1.35 -0.04 0.00 -1.05 0.00 0.00 32.46 30.59 2yst n ARG 96 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2yst n GLY 97 N 1.62 3.58 2.96 2.89 0.00 -1.26 -5.06 105.19 109.91 2yst n GLY 97 Ca 0.16 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.98 0.21 0.41 1.61 -2.07 -1.26 -2.10 119.66 113.48 2yst s GLN 98 Ca 0.12 0.62 -0.25 0.00 -1.82 0.00 0.00 55.36 54.03 2yst s GLN 98 Cb 0.01 -0.34 -0.08 0.00 -1.09 0.00 0.00 33.01 31.50 2yst s GLN 98 CO 0.09 -0.43 1.19 -1.25 -1.32 0.00 0.00 175.29 173.56 2yst s PRO 99 N 2.44 4.00 -1.02 9.60 0.04 -1.26 -5.05 135.00 143.75 2yst s PRO 99 Ca 0.04 1.87 -0.24 0.00 0.04 0.00 0.00 61.00 62.72 2yst s PRO 99 Cb -0.13 -2.65 -0.06 0.00 0.04 0.00 0.00 34.50 31.70 2yst s PRO 99 CO -0.11 -0.38 1.94 -1.25 0.04 0.00 0.00 177.00 177.24 2yst s PRO 100 N -2.35 2.53 -0.06 0.56 0.04 -0.89 -4.92 135.00 129.91 2yst s PRO 100 Ca 0.58 -0.64 -0.41 0.00 0.04 0.00 0.00 61.00 60.57 2yst s PRO 100 Cb -0.31 -5.14 -0.20 0.00 0.04 0.00 0.00 34.50 28.89 2yst s PRO 100 CO 0.39 -3.62 1.14 1.63 0.04 0.00 0.00 177.00 176.58 2yst n LYS 101 N 8.62 0.02 -4.31 4.56 4.76 -1.26 -4.30 118.16 126.25 2yst n LYS 101 Ca 0.42 0.01 -0.33 0.00 -2.87 0.00 0.00 58.31 55.53 2yst n LYS 101 Cb 0.47 -1.51 -0.15 0.00 -1.84 0.00 0.00 35.03 32.00 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 0.38 2.61 -0.19 -0.18 -4.23 -1.25 -3.18 115.64 109.61 2yst s THR 102 Ca 0.93 -0.77 -0.06 0.00 -1.18 0.00 0.00 61.69 60.60 2yst s THR 102 Cb -1.29 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 70.39 2yst s THR 102 CO 0.60 0.51 0.03 -1.81 -0.54 0.00 0.00 174.62 173.40 2yst s ASP 103 N 1.06 5.23 0.14 3.99 1.11 -1.20 -4.82 116.67 122.19 2yst s ASP 103 Ca -0.01 -0.05 -0.09 0.00 0.18 0.00 0.00 52.55 52.58 2yst s ASP 103 Cb -0.15 -1.89 -0.06 0.00 1.07 0.00 0.00 42.92 41.89 2yst s ASP 103 CO -0.04 0.13 0.45 -0.54 1.18 0.00 0.00 175.17 176.36 2yst s LYS 104 N 0.61 3.77 -0.10 8.23 1.02 -1.25 -2.28 119.74 129.73 2yst s LYS 104 Ca 0.01 0.19 -0.04 0.00 0.02 0.00 0.00 55.97 56.15 2yst s LYS 104 Cb -0.14 -2.86 0.05 0.00 -0.52 0.00 0.00 37.83 34.36 2yst s LYS 104 CO 0.02 0.47 0.19 0.00 -0.92 0.00 0.00 175.35 175.11 2yst s ALA 105 N -1.57 -0.30 -0.19 5.17 0.00 -0.38 -4.91 121.76 119.58 2yst s ALA 105 Ca 0.39 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.76 2yst s ALA 105 Cb -0.13 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 2yst s ALA 105 CO 0.20 -0.54 1.48 0.99 0.00 0.00 0.00 175.76 177.90 2yst s THR 106 N 2.21 3.89 -0.56 0.00 2.01 -1.19 -1.34 115.64 120.67 2yst s THR 106 Ca 0.01 1.04 -0.12 0.00 0.31 0.00 0.00 61.69 62.92 2yst s THR 106 Cb -0.12 -3.81 0.14 0.00 0.01 0.00 0.00 72.50 68.72 2yst s THR 106 CO -0.07 -0.25 0.48 -0.69 -0.69 0.00 0.00 174.62 173.40 2yst s VAL 107 N 4.46 4.82 -0.53 3.82 1.01 0.86 -1.34 120.40 133.50 2yst s VAL 107 Ca 0.65 -1.82 -0.20 0.00 0.00 0.00 0.00 61.98 60.61 2yst s VAL 107 Cb -0.24 -4.10 0.06 0.00 0.00 0.00 0.00 36.38 32.10 2yst s VAL 107 CO 0.25 -0.86 0.69 -0.69 0.00 0.00 0.00 175.10 174.49 2yst s VAL 108 N 1.22 4.77 -0.43 2.92 1.01 -0.89 -3.27 120.40 125.73 2yst s VAL 108 Ca 0.07 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 2yst s VAL 108 Cb -0.25 -4.37 0.03 0.00 0.00 0.00 0.00 36.38 31.79 2yst s VAL 108 CO -0.00 -0.90 0.36 -0.76 0.00 0.00 0.00 175.10 173.79 2yst s LEU 109 N 2.89 5.11 -0.21 3.92 1.43 -1.26 -2.22 118.68 128.35 2yst s LEU 109 Ca 0.17 -0.90 -0.29 0.00 -1.03 0.00 0.00 54.13 52.08 2yst s LEU 109 Cb -0.18 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 2yst s LEU 109 CO 0.12 -0.53 1.25 0.20 0.23 0.00 0.00 176.35 177.62 2yst s ASN 110 N 1.88 6.90 -0.88 2.29 0.01 -0.96 -2.96 114.94 121.22 2yst s ASN 110 Ca 0.07 1.53 -0.24 0.00 -0.71 0.00 0.00 52.86 53.52 2yst s ASN 110 Cb -0.19 -2.54 0.06 0.00 0.41 0.00 0.00 41.25 38.99 2yst s ASN 110 CO 0.11 -0.83 1.30 -0.63 -1.51 0.00 0.00 177.10 175.54 2yst s ILE 111 N 3.68 4.01 0.88 0.60 -1.09 -1.22 -0.14 121.20 127.92 2yst s ILE 111 Ca 0.54 -0.46 -0.12 0.00 -2.23 0.00 0.00 60.65 58.38 2yst s ILE 111 Cb -0.20 -4.94 0.12 0.00 -1.58 0.00 0.00 42.46 35.86 2yst s ILE 111 CO 0.16 -1.81 1.09 -0.54 -1.23 0.00 0.00 174.94 172.61 2yst s LYS 112 N 4.82 1.37 -0.35 2.79 -0.14 -0.66 -4.79 119.74 122.78 2yst s LYS 112 Ca 0.38 0.80 -0.01 0.00 -1.36 0.00 0.00 55.97 55.78 2yst s LYS 112 Cb -0.05 -1.82 0.08 0.00 -1.68 0.00 0.00 37.83 34.36 2yst s LYS 112 CO -0.00 -2.15 0.08 0.16 -0.76 0.00 0.00 175.35 172.67 2yst s ASP 113 N -3.49 4.98 -0.12 2.83 -4.77 -1.26 -2.71 116.67 112.12 2yst s ASP 113 Ca 0.63 -1.73 -0.28 0.00 -3.30 0.00 0.00 52.55 47.86 2yst s ASP 113 Cb -0.17 -1.73 -0.25 0.00 -1.09 0.00 0.00 42.92 39.67 2yst s ASP 113 CO 0.57 -0.38 0.84 -0.08 0.70 0.00 0.00 175.17 176.82 2yst h GLU 114 N 7.93 0.00 0.46 2.11 4.57 -1.96 -3.38 114.58 124.31 2yst h GLU 114 Ca -0.15 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.00 2yst h GLU 114 Cb 1.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 2yst h GLU 114 CO 0.59 0.93 -0.22 -0.97 -1.18 0.00 0.00 179.01 178.15 2yst h ASN 115 N -0.92 -0.53 -3.21 1.04 -0.73 -2.02 -3.45 115.58 105.76 2yst h ASN 115 Ca -0.00 -0.06 -0.56 0.00 1.87 0.00 0.00 56.30 57.55 2yst h ASN 115 Cb 0.93 0.14 0.19 0.00 0.27 0.00 0.00 38.32 39.85 2yst h ASN 115 CO 0.00 -0.12 -0.41 -0.67 -0.37 0.00 0.00 177.43 175.87 2yst n ASP 116 N -5.21 -1.25 -3.74 1.15 -0.08 -1.26 -5.02 116.55 101.14 2yst n ASP 116 Ca -0.09 0.58 -0.08 0.00 -1.51 0.00 0.00 54.79 53.68 2yst n ASP 116 Cb 0.29 -1.21 -0.02 0.00 2.34 0.00 0.00 41.12 42.51 2yst n ASP 116 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2yst s ASN 117 N -1.49 -0.34 0.40 1.67 4.22 -1.26 -4.92 114.94 113.21 2yst s ASN 117 Ca 0.65 -0.45 -0.26 0.00 -2.14 0.00 0.00 52.86 50.66 2yst s ASN 117 Cb -0.34 0.69 -0.10 0.00 1.28 0.00 0.00 41.25 42.77 2yst s ASN 117 CO 0.58 -1.24 1.31 1.33 -2.04 0.00 0.00 177.10 177.05 2yst n VAL 118 N -0.43 2.36 0.98 3.54 0.24 -1.26 -5.24 118.33 118.51 2yst n VAL 118 Ca -0.08 -0.50 0.08 0.00 -2.04 0.00 0.00 64.34 61.80 2yst n VAL 118 Cb 0.61 -1.64 0.46 0.00 -1.47 0.00 0.00 33.84 31.81 2yst n VAL 118 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88