#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 3.25 0.16 1.61 0.01 -1.26 -5.13 113.70 112.34 2yst s SER 2 Ca 0.00 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 56.76 2yst s SER 2 Cb 0.00 -1.32 -0.04 0.00 0.21 0.00 0.00 66.02 64.87 2yst s SER 2 CO 0.00 0.18 0.02 -0.94 0.41 0.00 0.00 173.24 172.91 2yst s SER 3 N 0.22 0.92 0.00 2.44 1.04 -1.26 -5.16 113.70 111.90 2yst s SER 3 Ca -0.14 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.11 2yst s SER 3 Cb -0.17 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2yst s SER 3 CO 0.07 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2yst n GLY 4 N -0.19 1.68 3.02 7.32 0.00 -1.26 -5.17 105.19 110.59 2yst n GLY 4 Ca -0.06 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 2yst n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yst s SER 5 N 0.00 -0.08 0.00 1.61 0.15 -1.26 -5.05 113.70 109.07 2yst s SER 5 Ca 0.00 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2yst s SER 5 Cb 0.00 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 2yst s SER 5 CO 0.00 -0.12 0.00 -1.20 1.20 0.00 0.00 173.24 173.12 2yst n SER 6 N 2.66 0.76 0.00 5.45 7.64 -1.26 -5.16 113.62 123.70 2yst n SER 6 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2yst n SER 6 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 2yst n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yst n GLY 7 N 2.47 0.42 3.21 0.23 0.00 -1.26 -5.09 105.19 105.17 2yst n GLY 7 Ca 0.00 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 2yst n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yst s ASN 8 N -4.00 1.51 -0.18 1.61 4.22 -1.26 -5.15 114.94 111.69 2yst s ASN 8 Ca 0.00 -0.97 -0.03 0.00 -2.14 0.00 0.00 52.86 49.72 2yst s ASN 8 Cb 0.00 0.03 -0.01 0.00 1.28 0.00 0.00 41.25 42.55 2yst s ASN 8 CO 0.00 -0.36 -0.07 -0.62 -2.04 0.00 0.00 177.10 174.01 2yst s ASP 9 N -2.99 4.27 -0.70 3.54 2.15 -1.26 -5.00 116.67 116.67 2yst s ASP 9 Ca 0.13 -0.34 -0.02 0.00 0.43 0.00 0.00 52.55 52.75 2yst s ASP 9 Cb 0.02 -1.71 0.39 0.00 -0.30 0.00 0.00 42.92 41.33 2yst s ASP 9 CO -0.01 0.06 2.06 0.59 -0.17 0.00 0.00 175.17 177.70 2yst n ASN 10 N 4.25 7.55 -3.86 -0.34 3.02 -1.26 -4.92 115.26 119.69 2yst n ASN 10 Ca -0.18 -3.75 -0.11 0.00 -0.03 0.00 0.00 54.58 50.51 2yst n ASN 10 Cb 0.52 -1.02 -0.09 0.00 -0.61 0.00 0.00 39.78 38.57 2yst n ASN 10 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2yst s SER 11 N -1.40 0.03 -0.88 6.41 0.01 -1.26 -5.09 113.70 111.51 2yst s SER 11 Ca 0.59 -0.27 -0.25 0.00 1.31 0.00 0.00 55.95 57.33 2yst s SER 11 Cb 0.47 0.24 -0.05 0.00 0.21 0.00 0.00 66.02 66.89 2yst s SER 11 CO -0.15 -0.44 1.94 -2.16 0.41 0.00 0.00 173.24 172.84 2yst s PRO 12 N -1.84 2.56 -0.28 12.44 0.04 -1.26 -4.92 135.00 141.74 2yst s PRO 12 Ca -0.11 -0.23 0.03 0.00 0.04 0.00 0.00 61.00 60.74 2yst s PRO 12 Cb -0.05 -5.02 0.07 0.00 0.04 0.00 0.00 34.50 29.55 2yst s PRO 12 CO -0.00 -3.34 -0.06 0.50 0.04 0.00 0.00 177.00 174.13 2yst s ARG 13 N 7.02 2.03 0.47 4.56 3.00 -1.26 -4.42 118.95 130.35 2yst s ARG 13 Ca 0.70 -1.50 -0.14 0.00 -1.00 0.00 0.00 55.73 53.79 2yst s ARG 13 Cb -0.07 -2.98 -0.12 0.00 0.00 0.00 0.00 34.95 31.78 2yst s ARG 13 CO 0.01 -0.67 -0.20 1.19 0.00 0.00 0.00 175.30 175.63 2yst n PHE 14 N 4.38 -2.64 -0.00 5.12 3.72 -1.26 -4.67 117.46 122.10 2yst n PHE 14 Ca -0.09 0.29 -0.11 0.00 -0.05 0.00 0.00 57.45 57.49 2yst n PHE 14 Cb 0.42 -1.31 -0.05 0.00 -0.94 0.00 0.00 39.48 37.60 2yst n PHE 14 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2yst h GLU 15 N -0.14 -0.44 -6.62 -1.08 5.08 -1.34 -3.42 114.58 106.62 2yst h GLU 15 Ca -0.33 0.03 -0.69 0.00 -1.00 0.00 0.00 59.36 57.37 2yst h GLU 15 Cb 1.14 0.10 -0.23 0.00 0.50 0.00 0.00 28.75 30.25 2yst h GLU 15 CO 0.31 -0.29 -0.83 0.15 -1.00 0.00 0.00 179.01 177.35 2yst s LYS 16 N -5.93 1.99 0.40 2.33 3.01 -1.26 -5.02 119.74 115.27 2yst s LYS 16 Ca -0.15 -1.02 0.11 0.00 -1.01 0.00 0.00 55.97 53.90 2yst s LYS 16 Cb 0.10 -2.13 0.91 0.00 -1.01 0.00 0.00 37.83 35.70 2yst s LYS 16 CO 0.65 0.53 1.96 0.77 0.51 0.00 0.00 175.35 179.77 2yst h SER 17 N 4.64 0.50 -3.06 2.83 0.02 -1.95 -3.36 113.55 113.16 2yst h SER 17 Ca -0.47 0.01 -0.55 0.00 -0.84 0.00 0.00 61.79 59.94 2yst h SER 17 Cb 1.15 -0.09 -0.40 0.00 0.14 0.00 0.00 62.40 63.20 2yst h SER 17 CO 0.46 0.30 -0.76 -0.69 -1.14 0.00 0.00 176.83 175.00 2yst s VAL 18 N -5.51 0.47 -0.47 2.27 1.01 -1.26 -2.79 120.40 114.11 2yst s VAL 18 Ca -0.09 -0.99 -0.26 0.00 0.00 0.00 0.00 61.98 60.64 2yst s VAL 18 Cb 0.20 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 2yst s VAL 18 CO 0.76 -0.59 2.24 -0.31 0.00 0.00 0.00 175.10 177.20 2yst s TYR 19 N 1.84 1.24 -0.44 5.22 1.51 0.05 -4.79 117.35 121.98 2yst s TYR 19 Ca 0.07 1.24 -0.18 0.00 -1.01 0.00 0.00 57.07 57.19 2yst s TYR 19 Cb -0.17 -3.76 0.03 0.00 -0.11 0.00 0.00 41.96 37.96 2yst s TYR 19 CO -0.25 -2.70 0.48 -2.00 -1.11 0.00 0.00 175.55 169.97 2yst s GLU 20 N 7.64 3.11 0.04 -0.62 2.12 -1.26 -0.28 118.70 129.46 2yst s GLU 20 Ca 0.91 -0.76 0.04 0.00 0.36 0.00 0.00 54.97 55.52 2yst s GLU 20 Cb -0.18 -3.99 -0.02 0.00 0.26 0.00 0.00 34.13 30.19 2yst s GLU 20 CO 0.26 -0.93 -0.11 0.00 -0.54 0.00 0.00 175.26 173.94 2yst s ALA 21 N 2.25 0.92 -0.39 6.30 0.00 -0.32 -5.00 121.76 125.52 2yst s ALA 21 Ca 0.13 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 51.14 2yst s ALA 21 Cb -0.17 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2yst s ALA 21 CO 0.14 0.12 0.40 -0.51 0.00 0.00 0.00 175.76 175.91 2yst s ASP 22 N -1.32 6.18 -0.19 0.00 1.11 -1.26 -1.79 116.67 119.40 2yst s ASP 22 Ca -0.03 -0.56 -0.07 0.00 0.18 0.00 0.00 52.55 52.07 2yst s ASP 22 Cb -0.08 -2.21 -0.04 0.00 1.07 0.00 0.00 42.92 41.66 2yst s ASP 22 CO 0.01 -0.49 0.06 -0.22 1.18 0.00 0.00 175.17 175.71 2yst s LEU 23 N 2.05 3.71 0.07 1.23 1.98 -0.56 -4.94 118.68 122.22 2yst s LEU 23 Ca 0.11 0.02 -0.30 0.00 -2.89 0.00 0.00 54.13 51.06 2yst s LEU 23 Cb -0.17 -1.95 -0.06 0.00 0.66 0.00 0.00 46.19 44.68 2yst s LEU 23 CO 0.13 0.13 1.16 0.00 -1.89 0.00 0.00 176.35 175.88 2yst s ALA 24 N 0.60 3.36 0.43 5.97 0.00 -1.26 -0.43 121.76 130.44 2yst s ALA 24 Ca 0.03 0.81 0.09 0.00 0.00 0.00 0.00 51.96 52.89 2yst s ALA 24 Cb -0.13 -3.42 0.95 0.00 0.00 0.00 0.00 23.12 20.52 2yst s ALA 24 CO 0.01 -0.39 2.07 1.05 0.00 0.00 0.00 175.76 178.51 2yst h GLU 25 N 6.61 0.43 0.00 0.00 4.11 -1.21 0.65 114.58 125.17 2yst h GLU 25 Ca -0.42 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2yst h GLU 25 Cb 1.21 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2yst h GLU 25 CO 0.79 0.28 0.00 -1.71 0.07 0.00 0.00 179.01 178.45 2yst n ASN 26 N -4.49 0.37 -4.67 3.06 2.85 -1.26 -4.21 115.26 106.91 2yst n ASN 26 Ca 0.02 0.57 -0.55 0.00 -0.11 0.00 0.00 54.58 54.51 2yst n ASN 26 Cb 0.09 -0.65 -0.07 0.00 1.24 0.00 0.00 39.78 40.39 2yst n ASN 26 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2yst n SER 27 N -1.88 2.20 -4.40 1.20 7.64 0.22 -4.90 113.62 113.70 2yst n SER 27 Ca 0.04 1.08 -0.31 0.00 1.01 0.00 0.00 58.87 60.69 2yst n SER 27 Cb 0.27 -1.18 0.19 0.00 -1.01 0.00 0.00 64.21 62.48 2yst n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yst n ALA 28 N 4.37 -3.16 0.97 -0.43 0.00 -1.26 -4.30 120.51 116.70 2yst n ALA 28 Ca 0.23 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.63 2yst n ALA 28 Cb 0.16 -1.78 0.03 0.00 0.00 0.00 0.00 19.45 17.86 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 -3.02 0.48 0.00 0.00 -0.04 -1.26 -2.67 135.00 128.50 2yst n PRO 29 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2yst n PRO 29 Cb 0.57 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 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 0.00 3.51 0.55 0.00 -1.17 -1.84 105.19 106.22 2yst n GLY 30 Ca 0.01 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.84 0.82 -1.70 2.61 -1.04 -1.09 -3.88 114.28 109.17 2yst n THR 31 Ca 0.00 -0.21 -0.33 0.00 -2.04 0.00 0.00 64.05 61.48 2yst n THR 31 Cb 0.10 -0.39 0.05 0.00 -1.82 0.00 0.00 70.33 68.26 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 -0.37 2.74 0.02 -2.82 0.04 -1.26 -0.17 135.00 133.18 2yst s PRO 32 Ca 0.77 1.36 -0.05 0.00 0.04 0.00 0.00 61.00 63.12 2yst s PRO 32 Cb -1.00 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.57 2yst s PRO 32 CO 0.54 -1.29 -0.10 -0.89 0.04 0.00 0.00 177.00 175.30 2yst n ILE 33 N -2.54 1.28 -3.57 0.56 5.41 0.70 -4.78 119.36 116.41 2yst n ILE 33 Ca 0.10 0.32 -0.09 0.00 1.00 0.00 0.00 62.75 64.08 2yst n ILE 33 Cb 0.52 -1.80 -0.04 0.00 -0.71 0.00 0.00 39.64 37.61 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 -7.21 -0.34 -0.54 1.39 0.05 -1.00 -4.99 118.68 106.03 2yst s LEU 34 Ca -0.08 0.31 -0.17 0.00 0.05 0.00 0.00 54.13 54.23 2yst s LEU 34 Cb 0.01 1.82 0.11 0.00 -2.05 0.00 0.00 46.19 46.08 2yst s LEU 34 CO 0.13 -0.36 0.54 -1.58 -0.55 0.00 0.00 176.35 174.53 2yst s GLN 35 N -1.45 3.01 0.19 1.48 0.74 -1.26 -0.91 119.66 121.45 2yst s GLN 35 Ca 0.00 -1.52 -0.33 0.00 0.05 0.00 0.00 55.36 53.57 2yst s GLN 35 Cb -0.01 -4.26 -0.14 0.00 1.10 0.00 0.00 33.01 29.71 2yst s GLN 35 CO -0.01 -1.33 1.44 1.28 -0.55 0.00 0.00 175.29 176.12 2yst n LEU 36 N 5.56 2.83 -4.18 3.68 4.77 0.63 -4.93 117.00 125.37 2yst n LEU 36 Ca -0.12 1.12 -0.14 0.00 -0.03 0.00 0.00 56.01 56.83 2yst n LEU 36 Cb 0.41 -1.39 -0.08 0.00 -2.33 0.00 0.00 43.42 40.04 2yst n LEU 36 CO 0.54 -0.53 -0.08 -0.13 -1.33 0.00 0.00 177.39 175.86 2yst s ARG 37 N 0.16 1.54 -0.13 3.23 0.52 -1.26 -4.73 118.95 118.28 2yst s ARG 37 Ca 0.74 -1.72 -0.04 0.00 -0.52 0.00 0.00 55.73 54.18 2yst s ARG 37 Cb -0.71 0.34 -0.06 0.00 0.52 0.00 0.00 34.95 35.04 2yst s ARG 37 CO 0.45 -0.58 -0.15 0.00 0.02 0.00 0.00 175.30 175.04 2yst n ALA 38 N -0.44 2.02 -3.60 2.13 0.00 -1.26 -2.96 120.51 116.40 2yst n ALA 38 Ca 0.03 -0.53 0.01 0.00 0.00 0.00 0.00 53.44 52.95 2yst n ALA 38 Cb 0.64 0.29 -0.01 0.00 0.00 0.00 0.00 19.45 20.37 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 -2.25 -2.29 -0.87 0.00 0.00 -1.26 -2.24 121.76 112.85 2yst s ALA 39 Ca -0.18 1.02 0.01 0.00 0.00 0.00 0.00 51.96 52.80 2yst s ALA 39 Cb 0.06 0.18 0.31 0.00 0.00 0.00 0.00 23.12 23.67 2yst s ALA 39 CO 0.25 -0.94 1.32 -0.40 0.00 0.00 0.00 175.76 175.99 2yst n ASP 40 N -0.39 5.76 0.08 0.00 5.75 -1.26 -4.63 116.55 121.87 2yst n ASP 40 Ca -0.06 -3.56 0.00 0.00 -0.01 0.00 0.00 54.79 51.16 2yst n ASP 40 Cb 0.62 -0.98 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 2yst n ASP 40 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2yst n LEU 41 N 0.51 0.16 -3.55 -2.12 4.77 -1.26 -4.90 117.00 110.62 2yst n LEU 41 Ca 0.34 0.26 -0.40 0.00 -0.03 0.00 0.00 56.01 56.17 2yst n LEU 41 Cb 0.34 0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 2yst n LEU 41 CO 0.53 -0.64 2.45 0.47 -1.33 0.00 0.00 177.39 178.87 2yst n ASP 42 N -3.23 7.39 -1.62 -1.43 9.92 -1.26 -4.77 116.55 121.55 2yst n ASP 42 Ca 0.00 -3.05 -0.03 0.00 -0.53 0.00 0.00 54.79 51.18 2yst n ASP 42 Cb 0.05 -1.42 -0.04 0.00 -0.64 0.00 0.00 41.12 39.07 2yst n ASP 42 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2yst n VAL 43 N 2.41 2.22 -2.14 2.53 0.24 -1.26 -3.39 118.33 118.95 2yst n VAL 43 Ca 0.60 -0.73 -0.05 0.00 -2.04 0.00 0.00 64.34 62.11 2yst n VAL 43 Cb 0.27 -1.62 -0.01 0.00 -1.47 0.00 0.00 33.84 31.02 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 1.74 0.71 3.77 7.63 0.00 -1.26 -5.14 105.19 112.64 2yst n GLY 44 Ca 0.10 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2yst n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yst s VAL 45 N 0.03 3.06 0.23 1.61 1.01 -1.22 -4.93 120.40 120.20 2yst s VAL 45 Ca 0.02 0.83 -0.06 0.00 0.00 0.00 0.00 61.98 62.77 2yst s VAL 45 Cb 0.11 -3.43 0.19 0.00 0.00 0.00 0.00 36.38 33.25 2yst s VAL 45 CO -0.03 0.02 1.79 -1.13 0.00 0.00 0.00 175.10 175.74 2yst h ASN 46 N 2.20 0.52 0.00 3.32 -1.24 -2.01 -3.44 115.58 114.94 2yst h ASN 46 Ca -0.49 0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.58 2yst h ASN 46 Cb 1.25 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.26 2yst h ASN 46 CO 0.61 0.29 0.00 0.61 -1.29 0.00 0.00 177.43 177.65 2yst n GLY 47 N -1.31 2.66 3.26 1.57 0.00 -1.26 -5.15 105.19 104.96 2yst n GLY 47 Ca 0.12 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 45.26 2yst n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yst s GLN 48 N 4.55 0.48 -0.43 1.61 -0.21 -1.26 -5.06 119.66 119.34 2yst s GLN 48 Ca 0.00 0.95 -0.39 0.00 0.02 0.00 0.00 55.36 55.94 2yst s GLN 48 Cb 0.00 0.54 -0.17 0.00 1.00 0.00 0.00 33.01 34.38 2yst s GLN 48 CO 0.00 -0.43 1.49 -0.89 -2.12 0.00 0.00 175.29 173.33 2yst n ILE 49 N 5.41 0.00 -2.73 1.08 2.08 -1.26 -4.82 119.36 119.12 2yst n ILE 49 Ca -0.05 0.00 -0.43 0.00 0.56 0.00 0.00 62.75 62.83 2yst n ILE 49 Cb 0.51 -0.43 -0.03 0.00 -0.75 0.00 0.00 39.64 38.95 2yst n ILE 49 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2yst s GLU 50 N 3.25 3.62 -0.24 0.38 -1.05 -1.13 -4.80 118.70 118.74 2yst s GLU 50 Ca 0.93 0.34 -0.19 0.00 -0.15 0.00 0.00 54.97 55.90 2yst s GLU 50 Cb -1.28 -3.91 -0.03 0.00 -0.44 0.00 0.00 34.13 28.47 2yst s GLU 50 CO 0.66 -1.28 0.55 0.71 0.95 0.00 0.00 175.26 176.85 2yst s TYR 51 N 4.04 3.31 0.36 4.83 1.51 -1.25 -2.48 117.35 127.67 2yst s TYR 51 Ca 0.42 0.75 0.05 0.00 -1.01 0.00 0.00 57.07 57.28 2yst s TYR 51 Cb -0.09 -2.74 -0.07 0.00 -0.11 0.00 0.00 41.96 38.95 2yst s TYR 51 CO 0.28 -0.23 0.03 0.14 -1.11 0.00 0.00 175.55 174.67 2yst s VAL 52 N 2.12 1.58 -1.24 0.71 -7.23 -0.47 -3.61 120.40 112.27 2yst s VAL 52 Ca 0.24 -2.01 -0.20 0.00 -1.81 0.00 0.00 61.98 58.21 2yst s VAL 52 Cb -0.16 -2.88 0.04 0.00 0.56 0.00 0.00 36.38 33.94 2yst s VAL 52 CO 0.09 -0.01 1.74 -0.36 -0.31 0.00 0.00 175.10 176.25 2yst s PHE 53 N -3.02 2.58 0.02 2.82 0.08 -1.26 -0.24 117.98 118.97 2yst s PHE 53 Ca 0.36 -1.12 -0.06 0.00 0.12 0.00 0.00 56.93 56.22 2yst s PHE 53 Cb 0.09 -4.61 -0.02 0.00 -0.57 0.00 0.00 43.02 37.91 2yst s PHE 53 CO 0.17 -1.72 1.10 0.78 -0.10 0.00 0.00 175.22 175.45 2yst h GLY 54 N 13.61 -1.67 -6.96 4.36 0.00 -1.81 -3.37 103.07 107.22 2yst h GLY 54 Ca 0.37 0.77 -0.61 0.00 0.00 0.00 0.00 47.33 47.86 2yst h GLY 54 CO 1.41 -0.59 -0.74 0.00 0.00 0.00 0.00 176.54 176.62 2yst s ALA 55 N -4.04 2.11 0.22 3.60 0.00 -1.23 -4.94 121.76 117.48 2yst s ALA 55 Ca -0.03 -2.58 0.02 0.00 0.00 0.00 0.00 51.96 49.37 2yst s ALA 55 Cb 0.02 -1.88 -0.05 0.00 0.00 0.00 0.00 23.12 21.21 2yst s ALA 55 CO 0.12 -2.06 0.03 0.00 0.00 0.00 0.00 175.76 173.84 2yst s ALA 56 N 0.35 1.60 0.16 0.00 0.00 -1.26 -1.97 121.76 120.64 2yst s ALA 56 Ca 0.18 -1.73 0.04 0.00 0.00 0.00 0.00 51.96 50.46 2yst s ALA 56 Cb -0.23 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 2yst s ALA 56 CO -0.00 -0.35 0.16 -0.08 0.00 0.00 0.00 175.76 175.49 2yst s THR 57 N -3.63 4.62 0.41 0.00 -1.32 -1.26 -4.97 115.64 109.50 2yst s THR 57 Ca 0.30 -1.00 0.19 0.00 -1.21 0.00 0.00 61.69 59.96 2yst s THR 57 Cb 0.07 -3.36 0.19 0.00 -1.51 0.00 0.00 72.50 67.89 2yst s THR 57 CO 0.08 -0.09 1.52 1.05 -2.21 0.00 0.00 174.62 174.97 2yst h GLU 58 N 2.42 0.00 0.04 7.08 9.09 -2.02 0.78 114.58 131.98 2yst h GLU 58 Ca -0.48 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 58.68 2yst h GLU 58 Cb 1.20 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.27 2yst h GLU 58 CO 0.64 0.00 -1.25 0.77 0.05 0.00 0.00 179.01 179.22 2yst h SER 59 N 0.00 0.15 -0.03 3.06 0.02 -1.98 -2.64 113.55 112.13 2yst h SER 59 Ca 0.00 -0.18 -0.24 0.00 -0.84 0.00 0.00 61.79 60.53 2yst h SER 59 Cb 0.85 -0.05 0.02 0.00 0.14 0.00 0.00 62.40 63.36 2yst h SER 59 CO 0.00 1.14 -0.91 0.58 -1.14 0.00 0.00 176.83 176.51 2yst h VAL 60 N 0.03 1.30 -0.20 2.27 2.07 0.21 -0.83 116.25 121.10 2yst h VAL 60 Ca -0.12 -2.15 -0.18 0.00 0.82 0.00 0.00 66.70 65.07 2yst h VAL 60 Cb 1.89 2.34 -0.00 0.00 -1.52 0.00 0.00 31.29 34.00 2yst h VAL 60 CO 0.14 0.66 -0.61 0.08 0.02 0.00 0.00 177.57 177.87 2yst h ARG 61 N 0.33 0.67 -0.00 1.57 0.11 -1.56 0.64 114.38 116.14 2yst h ARG 61 Ca -0.11 -0.45 -0.19 0.00 0.10 0.00 0.00 59.98 59.34 2yst h ARG 61 Cb 1.57 0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.70 2yst h ARG 61 CO 0.18 1.07 -0.83 0.07 0.10 0.00 0.00 179.97 180.56 2yst h ARG 62 N 0.50 0.15 0.08 0.08 0.11 -1.53 -3.28 114.38 110.48 2yst h ARG 62 Ca -0.00 -0.16 -0.30 0.00 0.10 0.00 0.00 59.98 59.62 2yst h ARG 62 Cb 1.19 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.29 2yst h ARG 62 CO 0.12 0.90 -1.59 1.25 0.10 0.00 0.00 179.97 180.75 2yst h LEU 63 N 0.09 0.25 -8.22 0.08 5.85 -1.11 -3.35 115.31 108.91 2yst h LEU 63 Ca -0.03 -0.41 -0.56 0.00 0.84 0.00 0.00 57.88 57.72 2yst h LEU 63 Cb 1.45 -0.08 -0.31 0.00 0.37 0.00 0.00 40.66 42.08 2yst h LEU 63 CO 0.12 1.35 -0.84 -0.76 -0.34 0.00 0.00 178.44 177.98 2yst s LEU 64 N -6.73 1.92 -0.20 2.25 1.43 0.22 -1.04 118.68 116.52 2yst s LEU 64 Ca -0.09 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 2yst s LEU 64 Cb 0.07 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 2yst s LEU 64 CO 0.83 0.15 0.04 -0.60 0.23 0.00 0.00 176.35 177.00 2yst s ARG 65 N 0.03 3.77 0.14 1.70 6.06 -0.38 -3.98 118.95 126.29 2yst s ARG 65 Ca -0.03 -0.44 0.10 0.00 -2.50 0.00 0.00 55.73 52.85 2yst s ARG 65 Cb -0.11 -3.18 -0.04 0.00 0.06 0.00 0.00 34.95 31.67 2yst s ARG 65 CO 0.02 0.08 -0.19 -1.17 -2.50 0.00 0.00 175.30 171.54 2yst s LEU 66 N 0.87 2.65 0.33 -0.88 2.96 -1.26 -1.90 118.68 121.45 2yst s LEU 66 Ca 0.03 -0.64 0.09 0.00 -0.22 0.00 0.00 54.13 53.39 2yst s LEU 66 Cb -0.14 -1.46 -0.06 0.00 0.50 0.00 0.00 46.19 45.04 2yst s LEU 66 CO 0.02 0.16 -0.04 -1.81 -1.32 0.00 0.00 176.35 173.36 2yst s ASP 67 N -2.34 3.99 0.00 3.68 1.11 -0.66 -5.02 116.67 117.44 2yst s ASP 67 Ca 0.19 -1.05 0.00 0.00 0.18 0.00 0.00 52.55 51.87 2yst s ASP 67 Cb -0.10 -0.46 0.00 0.00 1.07 0.00 0.00 42.92 43.43 2yst s ASP 67 CO 0.10 -0.19 0.00 -1.84 1.18 0.00 0.00 175.17 174.42 2yst n GLU 68 N -0.87 1.40 -0.20 8.23 0.00 -1.24 -3.91 120.64 124.06 2yst n GLU 68 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.11 2yst n GLU 68 Cb 0.62 -0.91 0.24 0.00 0.00 0.00 0.00 31.44 31.39 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 1.20 0.00 3.84 1.03 -1.89 -3.32 112.91 113.77 2yst h THR 69 Ca 0.00 -0.42 -0.19 0.00 -0.01 0.00 0.00 66.41 65.79 2yst h THR 69 Cb 0.82 0.20 -0.03 0.00 -1.07 0.00 0.00 68.15 68.07 2yst h THR 69 CO 0.00 0.20 -1.68 -1.54 -0.01 0.00 0.00 175.52 172.49 2yst n SER 70 N -4.40 2.57 -0.04 0.00 3.41 -1.26 -4.88 113.62 109.03 2yst n SER 70 Ca 0.07 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2yst n SER 70 Cb 0.06 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 2.77 1.37 3.67 5.00 0.00 -1.25 -4.97 105.19 111.78 2yst n GLY 71 Ca -0.22 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.07 3.02 -0.05 1.61 0.52 -1.26 -0.27 118.94 120.45 2yst s TRP 72 Ca 0.00 0.03 0.04 0.00 0.02 0.00 0.00 56.10 56.19 2yst s TRP 72 Cb 0.00 -1.61 -0.00 0.00 -1.15 0.00 0.00 33.47 30.70 2yst s TRP 72 CO 0.00 0.46 -0.17 -1.17 0.02 0.00 0.00 176.95 176.08 2yst s LEU 73 N -1.82 1.91 0.25 2.99 0.20 -0.09 -1.65 118.68 120.47 2yst s LEU 73 Ca 0.22 -0.37 -0.08 0.00 0.69 0.00 0.00 54.13 54.59 2yst s LEU 73 Cb -0.12 -1.00 -0.01 0.00 -0.43 0.00 0.00 46.19 44.63 2yst s LEU 73 CO 0.13 0.15 0.38 -0.94 -0.29 0.00 0.00 176.35 175.77 2yst s SER 74 N 0.11 0.12 0.47 3.68 1.04 -0.80 -0.21 113.70 118.11 2yst s SER 74 Ca -0.06 -1.14 -0.21 0.00 0.48 0.00 0.00 55.95 55.02 2yst s SER 74 Cb -0.12 0.54 -0.08 0.00 0.10 0.00 0.00 66.02 66.45 2yst s SER 74 CO 0.03 -1.07 1.05 -0.69 0.98 0.00 0.00 173.24 173.53 2yst s VAL 75 N -3.93 3.72 -0.04 5.02 1.01 0.76 -1.25 120.40 125.69 2yst s VAL 75 Ca 0.28 1.13 -0.00 0.00 0.00 0.00 0.00 61.98 63.40 2yst s VAL 75 Cb 0.02 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 2yst s VAL 75 CO 0.12 -0.17 -0.04 -0.11 0.00 0.00 0.00 175.10 174.89 2yst n LEU 76 N -0.76 2.54 -4.43 3.92 7.94 -0.21 -3.06 117.00 122.94 2yst n LEU 76 Ca 0.08 -0.01 -0.22 0.00 -1.11 0.00 0.00 56.01 54.75 2yst n LEU 76 Cb 0.52 -0.14 -0.10 0.00 0.53 0.00 0.00 43.42 44.22 2yst n LEU 76 CO 0.41 0.49 -0.44 -1.00 -1.11 0.00 0.00 177.39 175.74 2yst s HIS 77 N -2.08 2.07 0.23 1.96 3.76 -0.90 -4.65 115.29 115.68 2yst s HIS 77 Ca -0.06 -0.47 -0.32 0.00 -0.15 0.00 0.00 55.06 54.07 2yst s HIS 77 Cb 0.02 -0.98 -0.12 0.00 1.11 0.00 0.00 32.58 32.61 2yst s HIS 77 CO 0.09 0.54 1.64 0.54 -0.85 0.00 0.00 174.74 176.69 2yst n ARG 78 N -0.55 2.61 -4.17 1.40 3.00 -1.26 -4.37 116.66 113.32 2yst n ARG 78 Ca -0.06 0.94 -0.36 0.00 -0.01 0.00 0.00 57.85 58.36 2yst n ARG 78 Cb 0.61 -2.73 -0.08 0.00 0.00 0.00 0.00 32.46 30.25 2yst n ARG 78 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2yst s ILE 79 N 0.63 4.79 -0.22 0.55 1.01 -1.26 -5.02 121.20 121.67 2yst s ILE 79 Ca 0.71 -0.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.28 2yst s ILE 79 Cb -0.54 -3.05 0.07 0.00 0.01 0.00 0.00 42.46 38.95 2yst s ILE 79 CO 0.40 0.60 0.05 -0.62 0.00 0.00 0.00 174.94 175.37 2yst s ASP 80 N -0.87 3.18 0.48 3.58 2.15 -1.26 -4.52 116.67 119.42 2yst s ASP 80 Ca 0.13 -1.00 0.38 0.00 0.43 0.00 0.00 52.55 52.49 2yst s ASP 80 Cb -0.12 -0.65 1.56 0.00 -0.30 0.00 0.00 42.92 43.41 2yst s ASP 80 CO 0.03 -0.33 1.60 -0.09 -0.17 0.00 0.00 175.17 176.21 2yst h ARG 81 N 8.21 0.02 0.69 4.34 1.12 -1.85 0.93 114.38 127.85 2yst h ARG 81 Ca -0.16 -0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.67 2yst h ARG 81 Cb 1.09 -0.01 0.01 0.00 -0.01 0.00 0.00 29.97 31.06 2yst h ARG 81 CO 0.37 0.02 -0.33 1.49 -3.11 0.00 0.00 179.97 178.40 2yst h GLU 82 N 0.02 -0.89 -0.81 0.20 4.81 -1.98 -3.00 114.58 112.94 2yst h GLU 82 Ca 0.88 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 60.26 2yst h GLU 82 Cb 3.07 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 32.60 2yst h GLU 82 CO -0.29 -0.60 0.53 1.05 -0.73 0.00 0.00 179.01 178.97 2yst h GLU 83 N -0.95 0.74 -3.77 1.92 4.11 -1.30 -3.41 114.58 111.92 2yst h GLU 83 Ca -0.09 -0.04 -0.32 0.00 0.07 0.00 0.00 59.36 58.97 2yst h GLU 83 Cb 0.71 -0.17 -0.33 0.00 0.50 0.00 0.00 28.75 29.47 2yst h GLU 83 CO 0.16 0.49 -0.74 0.14 0.07 0.00 0.00 179.01 179.12 2yst s VAL 84 N -5.70 0.16 -0.21 -1.06 -7.23 -0.46 -5.04 120.40 100.86 2yst s VAL 84 Ca -0.10 0.05 0.01 0.00 -1.81 0.00 0.00 61.98 60.13 2yst s VAL 84 Cb 0.20 -0.23 -0.20 0.00 0.56 0.00 0.00 36.38 36.71 2yst s VAL 84 CO 0.78 0.12 -0.01 -0.46 -0.31 0.00 0.00 175.10 175.22 2yst n ASN 85 N 3.87 1.82 -3.69 4.85 0.23 -1.18 -3.71 115.26 117.45 2yst n ASN 85 Ca -0.24 -0.01 -0.10 0.00 -0.53 0.00 0.00 54.58 53.70 2yst n ASN 85 Cb 0.52 -0.41 -0.11 0.00 -2.08 0.00 0.00 39.78 37.71 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 -2.53 0.38 -0.04 -3.83 0.74 -1.26 -3.38 119.66 109.74 2yst s GLN 86 Ca -0.28 0.83 -0.03 0.00 0.05 0.00 0.00 55.36 55.92 2yst s GLN 86 Cb 0.08 0.03 -0.04 0.00 1.10 0.00 0.00 33.01 34.18 2yst s GLN 86 CO 0.67 -0.18 0.15 -0.51 -0.55 0.00 0.00 175.29 174.88 2yst s LEU 87 N 1.61 4.28 -0.11 3.68 1.43 -1.22 -5.03 118.68 123.32 2yst s LEU 87 Ca -0.08 0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.32 2yst s LEU 87 Cb -0.09 -2.42 0.06 0.00 0.03 0.00 0.00 46.19 43.77 2yst s LEU 87 CO -0.13 0.30 0.19 -0.60 0.23 0.00 0.00 176.35 176.35 2yst s ARG 88 N -1.67 0.09 0.31 1.70 3.52 -1.26 -2.68 118.95 118.95 2yst s ARG 88 Ca 0.23 0.55 0.05 0.00 -0.13 0.00 0.00 55.73 56.43 2yst s ARG 88 Cb -0.12 -0.38 -0.03 0.00 -1.56 0.00 0.00 34.95 32.86 2yst s ARG 88 CO 0.14 -0.36 0.23 -0.59 -0.81 0.00 0.00 175.30 173.92 2yst s PHE 89 N 2.33 1.63 0.17 5.12 -0.71 -1.24 -4.96 117.98 120.32 2yst s PHE 89 Ca 0.03 -1.57 0.09 0.00 -1.04 0.00 0.00 56.93 54.44 2yst s PHE 89 Cb -0.13 -0.72 -0.04 0.00 -1.21 0.00 0.00 43.02 40.93 2yst s PHE 89 CO -0.07 -0.77 -0.19 0.99 -1.34 0.00 0.00 175.22 173.84 2yst s THR 90 N -3.59 1.88 -0.01 -4.49 2.01 -0.83 -0.82 115.64 109.78 2yst s THR 90 Ca 0.39 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 60.44 2yst s THR 90 Cb 0.03 -1.89 0.01 0.00 0.01 0.00 0.00 72.50 70.66 2yst s THR 90 CO 0.23 -0.32 0.00 0.68 -0.69 0.00 0.00 174.62 174.53 2yst s VAL 91 N -2.08 0.09 0.16 3.82 -7.23 0.06 -3.09 120.40 112.12 2yst s VAL 91 Ca 0.17 0.05 0.03 0.00 -1.81 0.00 0.00 61.98 60.42 2yst s VAL 91 Cb -0.06 -0.14 -0.04 0.00 0.56 0.00 0.00 36.38 36.71 2yst s VAL 91 CO 0.07 0.08 0.27 -0.04 -0.31 0.00 0.00 175.10 175.17 2yst s MET 92 N 0.54 3.36 -0.24 4.82 -1.94 0.66 -1.32 119.30 125.17 2yst s MET 92 Ca -0.05 -0.66 -0.02 0.00 -1.71 0.00 0.00 55.69 53.25 2yst s MET 92 Cb -0.07 -2.91 0.08 0.00 2.01 0.00 0.00 34.83 33.93 2yst s MET 92 CO -0.01 0.51 0.06 0.00 -0.01 0.00 0.00 175.02 175.56 2yst s ALA 93 N -1.77 1.19 0.24 3.03 0.00 -1.12 -1.37 121.76 121.97 2yst s ALA 93 Ca 0.34 -1.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.17 2yst s ALA 93 Cb -0.11 -1.35 -0.06 0.00 0.00 0.00 0.00 23.12 21.60 2yst s ALA 93 CO 0.28 -1.37 0.52 1.03 0.00 0.00 0.00 175.76 176.21 2yst s ARG 94 N 1.78 3.67 0.41 0.00 0.52 -1.04 -3.82 118.95 120.47 2yst s ARG 94 Ca 0.03 0.05 0.07 0.00 -0.52 0.00 0.00 55.73 55.36 2yst s ARG 94 Cb -0.17 -2.69 -0.07 0.00 0.52 0.00 0.00 34.95 32.54 2yst s ARG 94 CO -0.16 0.29 0.06 0.34 0.02 0.00 0.00 175.30 175.86 2yst s ASP 95 N -2.81 4.06 -0.01 0.23 2.15 -1.26 -2.82 116.67 116.21 2yst s ASP 95 Ca 0.44 -1.25 -0.03 0.00 0.43 0.00 0.00 52.55 52.14 2yst s ASP 95 Cb -0.11 -0.43 -0.13 0.00 -0.30 0.00 0.00 42.92 41.95 2yst s ASP 95 CO 0.26 -0.46 2.80 0.54 -0.17 0.00 0.00 175.17 178.14 2yst n ARG 96 N -1.05 1.52 -4.38 4.34 5.12 -1.26 -4.81 116.66 116.14 2yst n ARG 96 Ca -0.04 -0.54 -0.19 0.00 -1.93 0.00 0.00 57.85 55.15 2yst n ARG 96 Cb 0.66 -1.51 -0.10 0.00 -1.16 0.00 0.00 32.46 30.35 2yst n ARG 96 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2yst s GLY 97 N 1.95 2.00 -0.16 -0.13 0.00 -1.26 -5.09 107.32 104.63 2yst s GLY 97 Ca 0.34 -1.81 -0.06 0.00 0.00 0.00 0.00 44.72 43.19 2yst s GLY 97 CO -0.00 -1.68 0.34 1.20 0.00 0.00 0.00 173.10 172.96 2yst s GLN 98 N -3.91 0.26 0.25 2.90 -0.21 -1.26 -2.25 119.66 115.44 2yst s GLN 98 Ca 0.35 0.82 -0.30 0.00 0.02 0.00 0.00 55.36 56.26 2yst s GLN 98 Cb 0.07 0.08 -0.09 0.00 1.00 0.00 0.00 33.01 34.06 2yst s GLN 98 CO 0.15 -0.23 1.27 -1.25 -2.12 0.00 0.00 175.29 173.11 2yst s PRO 99 N 2.13 4.42 0.11 2.91 0.04 -1.26 -5.11 135.00 138.24 2yst s PRO 99 Ca -0.03 2.06 -0.31 0.00 0.04 0.00 0.00 61.00 62.75 2yst s PRO 99 Cb -0.11 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.19 2yst s PRO 99 CO -0.11 -0.16 1.36 -1.25 0.04 0.00 0.00 177.00 176.89 2yst s PRO 100 N -0.80 4.34 -0.43 0.56 0.04 -0.95 -4.97 135.00 132.78 2yst s PRO 100 Ca 0.52 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 63.31 2yst s PRO 100 Cb -0.37 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 30.94 2yst s PRO 100 CO 0.43 -0.41 1.11 0.21 0.04 0.00 0.00 177.00 178.38 2yst s LYS 101 N 1.08 3.82 -0.28 4.56 2.47 -1.26 -4.90 119.74 125.22 2yst s LYS 101 Ca 0.64 0.70 -0.10 0.00 -1.56 0.00 0.00 55.97 55.64 2yst s LYS 101 Cb -0.36 -3.86 -0.03 0.00 -1.46 0.00 0.00 37.83 32.12 2yst s LYS 101 CO 0.30 -1.24 0.15 0.95 0.16 0.00 0.00 175.35 175.68 2yst s THR 102 N 4.19 4.90 -0.11 3.43 -4.23 -1.26 -4.31 115.64 118.25 2yst s THR 102 Ca 0.47 -0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.93 2yst s THR 102 Cb -0.09 -3.36 -0.02 0.00 1.34 0.00 0.00 72.50 70.37 2yst s THR 102 CO 0.27 0.23 -0.13 -1.81 -0.54 0.00 0.00 174.62 172.64 2yst s ASP 103 N 1.69 4.07 -0.06 3.99 1.01 -1.25 -4.91 116.67 121.22 2yst s ASP 103 Ca 0.06 -0.28 -0.14 0.00 0.71 0.00 0.00 52.55 52.90 2yst s ASP 103 Cb -0.16 -1.44 -0.05 0.00 1.01 0.00 0.00 42.92 42.28 2yst s ASP 103 CO 0.08 0.21 0.37 -0.54 0.21 0.00 0.00 175.17 175.50 2yst s LYS 104 N 0.08 4.00 -0.04 8.23 1.02 -1.26 -2.79 119.74 128.97 2yst s LYS 104 Ca -0.05 0.30 0.01 0.00 0.02 0.00 0.00 55.97 56.25 2yst s LYS 104 Cb -0.15 -3.29 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 2yst s LYS 104 CO 0.04 0.54 -0.05 0.00 -0.92 0.00 0.00 175.35 174.97 2yst s ALA 105 N -0.53 0.68 -0.29 5.17 0.00 -0.43 -4.92 121.76 121.43 2yst s ALA 105 Ca 0.22 -0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.88 2yst s ALA 105 Cb -0.15 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.55 2yst s ALA 105 CO 0.10 -0.01 0.82 0.99 0.00 0.00 0.00 175.76 177.66 2yst s THR 106 N 0.91 4.78 -0.61 0.00 2.01 -1.12 -0.76 115.64 120.85 2yst s THR 106 Ca -0.11 1.31 -0.17 0.00 0.31 0.00 0.00 61.69 63.03 2yst s THR 106 Cb -0.14 -4.16 0.13 0.00 0.01 0.00 0.00 72.50 68.34 2yst s THR 106 CO 0.00 -0.23 0.63 -0.69 -0.69 0.00 0.00 174.62 173.64 2yst s VAL 107 N 2.99 5.12 -0.34 3.82 1.01 -0.00 -0.77 120.40 132.22 2yst s VAL 107 Ca 0.34 -1.47 -0.26 0.00 0.00 0.00 0.00 61.98 60.59 2yst s VAL 107 Cb -0.14 -4.43 0.01 0.00 0.00 0.00 0.00 36.38 31.82 2yst s VAL 107 CO 0.12 -1.01 0.91 -0.69 0.00 0.00 0.00 175.10 174.42 2yst s VAL 108 N 1.81 4.64 -0.54 2.92 1.01 0.61 -3.65 120.40 127.20 2yst s VAL 108 Ca 0.09 1.28 -0.04 0.00 0.00 0.00 0.00 61.98 63.32 2yst s VAL 108 Cb -0.24 -4.29 0.14 0.00 0.00 0.00 0.00 36.38 31.99 2yst s VAL 108 CO 0.02 -0.43 0.36 -0.76 0.00 0.00 0.00 175.10 174.29 2yst s LEU 109 N 3.33 5.33 -0.14 3.92 1.43 -1.09 -1.17 118.68 130.29 2yst s LEU 109 Ca 0.37 -2.49 -0.29 0.00 -1.03 0.00 0.00 54.13 50.69 2yst s LEU 109 Cb -0.13 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2yst s LEU 109 CO 0.16 -0.46 1.68 0.20 0.23 0.00 0.00 176.35 178.15 2yst s ASN 110 N 1.29 6.46 -0.45 2.29 0.01 -0.74 -3.37 114.94 120.43 2yst s ASN 110 Ca 0.13 1.95 -0.28 0.00 -0.71 0.00 0.00 52.86 53.95 2yst s ASN 110 Cb -0.21 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 38.91 2yst s ASN 110 CO -0.04 -1.14 1.68 -0.63 -1.51 0.00 0.00 177.10 175.46 2yst s ILE 111 N 4.81 3.58 0.59 0.60 -1.09 -1.22 -1.50 121.20 126.98 2yst s ILE 111 Ca 0.74 0.54 0.04 0.00 -2.23 0.00 0.00 60.65 59.74 2yst s ILE 111 Cb -0.30 -3.95 0.07 0.00 -1.58 0.00 0.00 42.46 36.71 2yst s ILE 111 CO 0.30 -0.71 0.81 -0.54 -1.23 0.00 0.00 174.94 173.57 2yst s LYS 112 N 5.81 2.26 -0.37 2.79 -0.14 0.43 -4.84 119.74 125.69 2yst s LYS 112 Ca 0.69 -1.20 0.01 0.00 -1.36 0.00 0.00 55.97 54.12 2yst s LYS 112 Cb -0.17 -2.53 0.10 0.00 -1.68 0.00 0.00 37.83 33.56 2yst s LYS 112 CO 0.29 -0.90 0.11 0.16 -0.76 0.00 0.00 175.35 174.24 2yst s ASP 113 N -4.57 4.96 0.06 2.83 -4.77 -1.26 -0.65 116.67 113.26 2yst s ASP 113 Ca 0.61 -2.09 -0.18 0.00 -3.30 0.00 0.00 52.55 47.58 2yst s ASP 113 Cb -0.07 -1.71 -0.13 0.00 -1.09 0.00 0.00 42.92 39.92 2yst s ASP 113 CO 0.39 -0.44 1.36 -0.08 0.70 0.00 0.00 175.17 177.11 2yst h GLU 114 N 7.79 0.49 -0.73 2.11 4.81 -1.93 -3.23 114.58 123.89 2yst h GLU 114 Ca -0.08 -0.27 0.19 0.00 -0.13 0.00 0.00 59.36 59.07 2yst h GLU 114 Cb 1.03 0.01 -0.14 0.00 0.63 0.00 0.00 28.75 30.29 2yst h GLU 114 CO 0.59 0.85 -0.04 -1.71 -0.73 0.00 0.00 179.01 177.97 2yst n ASN 115 N -4.43 -0.13 -0.12 1.04 2.85 -1.26 0.65 115.26 113.86 2yst n ASN 115 Ca -0.05 1.25 -0.11 0.00 -0.11 0.00 0.00 54.58 55.56 2yst n ASN 115 Cb 0.41 -0.43 -0.05 0.00 1.24 0.00 0.00 39.78 40.95 2yst n ASN 115 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 2yst h ASP 116 N 0.00 -1.47 -3.62 1.20 3.58 -2.00 -3.36 116.42 110.76 2yst h ASP 116 Ca 0.42 0.22 -0.66 0.00 0.42 0.00 0.00 57.03 57.43 2yst h ASP 116 Cb 0.82 0.63 -0.16 0.00 1.72 0.00 0.00 39.33 42.34 2yst h ASP 116 CO -0.70 -0.38 -0.17 0.21 -2.88 0.00 0.00 179.24 175.32 2yst s ASN 117 N -5.04 6.24 0.25 2.28 3.04 0.21 -5.03 114.94 116.89 2yst s ASN 117 Ca -0.15 -0.21 -0.27 0.00 0.04 0.00 0.00 52.86 52.28 2yst s ASN 117 Cb 0.11 -2.23 -0.16 0.00 -1.54 0.00 0.00 41.25 37.43 2yst s ASN 117 CO 0.65 -0.44 0.65 1.33 -3.04 0.00 0.00 177.10 176.25 2yst n VAL 118 N 5.36 1.91 0.98 -5.21 0.24 -1.26 -4.86 118.33 115.48 2yst n VAL 118 Ca -0.07 -0.50 0.08 0.00 -2.04 0.00 0.00 64.34 61.81 2yst n VAL 118 Cb 0.49 -0.34 0.46 0.00 -1.47 0.00 0.00 33.84 32.99 2yst n VAL 118 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88