#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 6.28 -0.13 1.61 1.04 -1.26 -5.05 113.70 116.19 2yst s SER 2 Ca 0.00 2.25 -0.12 0.00 0.48 0.00 0.00 55.95 58.56 2yst s SER 2 Cb 0.00 -2.60 0.03 0.00 0.10 0.00 0.00 66.02 63.56 2yst s SER 2 CO 0.00 -0.83 0.35 -0.94 0.98 0.00 0.00 173.24 172.80 2yst s SER 3 N -1.41 -0.37 0.00 7.02 1.04 -1.26 -5.04 113.70 113.68 2yst s SER 3 Ca 0.63 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.77 2yst s SER 3 Cb -0.27 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2yst s SER 3 CO 0.33 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.04 2yst n GLY 4 N 2.89 -0.28 0.28 7.32 0.00 -1.26 -4.94 105.19 109.19 2yst n GLY 4 Ca -0.13 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.12 2yst n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yst n SER 5 N 0.00 -0.04 -0.24 1.61 3.41 -1.26 0.70 113.62 117.81 2yst n SER 5 Ca 0.00 1.37 -0.03 0.00 -0.26 0.00 0.00 58.87 59.95 2yst n SER 5 Cb 0.00 -0.52 0.03 0.00 -0.26 0.00 0.00 64.21 63.46 2yst n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2yst h SER 6 N 0.00 -1.05 0.00 4.04 0.87 -1.96 -3.46 113.55 111.99 2yst h SER 6 Ca 0.52 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 61.31 2yst h SER 6 Cb 1.12 0.56 0.00 0.00 -0.44 0.00 0.00 62.40 63.64 2yst h SER 6 CO -0.74 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 175.88 2yst n GLY 7 N -1.45 0.77 3.57 5.77 0.00 0.22 -5.10 105.19 108.96 2yst n GLY 7 Ca 0.06 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 2yst n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2yst s ASN 8 N -1.51 5.76 1.03 1.61 2.47 -1.26 -5.06 114.94 117.98 2yst s ASN 8 Ca 0.00 -0.04 -0.17 0.00 0.42 0.00 0.00 52.86 53.08 2yst s ASN 8 Cb 0.00 -2.05 0.22 0.00 -1.45 0.00 0.00 41.25 37.97 2yst s ASN 8 CO 0.00 -0.01 1.24 -1.81 -3.72 0.00 0.00 177.10 172.81 2yst s ASP 9 N 1.48 2.47 -0.55 -4.21 1.01 -1.26 -4.99 116.67 110.62 2yst s ASP 9 Ca 0.07 0.42 0.02 0.00 0.71 0.00 0.00 52.55 53.77 2yst s ASP 9 Cb -0.15 -0.56 0.42 0.00 1.01 0.00 0.00 42.92 43.64 2yst s ASP 9 CO 0.07 -3.15 1.53 -3.20 0.21 0.00 0.00 175.17 170.63 2yst n ASN 10 N -4.07 6.04 -4.51 0.27 5.15 -1.26 -5.01 115.26 111.86 2yst n ASN 10 Ca 0.14 -3.77 -0.26 0.00 -0.60 0.00 0.00 54.58 50.09 2yst n ASN 10 Cb 0.59 -0.68 -0.10 0.00 -0.53 0.00 0.00 39.78 39.06 2yst n ASN 10 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2yst s SER 11 N -2.62 3.92 -0.19 1.20 0.01 -1.26 -5.08 113.70 109.68 2yst s SER 11 Ca 0.53 -0.73 -0.29 0.00 1.31 0.00 0.00 55.95 56.77 2yst s SER 11 Cb 0.43 -0.52 -0.03 0.00 0.21 0.00 0.00 66.02 66.11 2yst s SER 11 CO -0.16 0.10 1.59 -2.16 0.41 0.00 0.00 173.24 173.02 2yst s PRO 12 N -2.91 3.88 0.07 12.44 0.04 -1.26 -4.92 135.00 142.35 2yst s PRO 12 Ca 0.24 1.73 0.07 0.00 0.04 0.00 0.00 61.00 63.08 2yst s PRO 12 Cb -0.08 -4.01 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 2yst s PRO 12 CO 0.14 -1.18 -0.19 0.50 0.04 0.00 0.00 177.00 176.30 2yst s ARG 13 N 4.49 1.14 0.60 4.56 6.06 -1.26 -4.01 118.95 130.53 2yst s ARG 13 Ca 0.70 -1.01 -0.15 0.00 -2.50 0.00 0.00 55.73 52.77 2yst s ARG 13 Cb -0.26 -1.30 -0.03 0.00 0.06 0.00 0.00 34.95 33.42 2yst s ARG 13 CO 0.28 0.31 1.04 -0.06 -2.50 0.00 0.00 175.30 174.38 2yst s PHE 14 N -1.02 3.12 0.23 5.12 0.08 -1.26 -4.26 117.98 119.99 2yst s PHE 14 Ca 0.05 1.48 -0.07 0.00 0.12 0.00 0.00 56.93 58.50 2yst s PHE 14 Cb -0.09 -2.93 0.20 0.00 -0.57 0.00 0.00 43.02 39.62 2yst s PHE 14 CO 0.03 -0.99 1.85 0.93 -0.10 0.00 0.00 175.22 176.94 2yst h GLU 15 N 0.25 1.22 -5.66 0.44 5.08 -1.72 -3.42 114.58 110.76 2yst h GLU 15 Ca -0.46 -0.14 -0.61 0.00 -1.00 0.00 0.00 59.36 57.16 2yst h GLU 15 Cb 1.21 -0.24 -0.31 0.00 0.50 0.00 0.00 28.75 29.91 2yst h GLU 15 CO 0.58 0.89 -0.85 0.15 -1.00 0.00 0.00 179.01 178.77 2yst s LYS 16 N -5.87 1.96 0.18 2.33 1.02 -1.26 -5.04 119.74 113.07 2yst s LYS 16 Ca -0.13 -0.72 -0.14 0.00 0.02 0.00 0.00 55.97 55.01 2yst s LYS 16 Cb 0.16 -1.73 0.15 0.00 -0.52 0.00 0.00 37.83 35.89 2yst s LYS 16 CO 0.82 0.33 1.74 1.03 -0.92 0.00 0.00 175.35 178.35 2yst h SER 17 N 6.05 0.10 -3.33 2.83 0.87 -1.94 -3.38 113.55 114.75 2yst h SER 17 Ca -0.34 0.07 -0.58 0.00 -1.23 0.00 0.00 61.79 59.71 2yst h SER 17 Cb 1.17 0.07 -0.40 0.00 -0.44 0.00 0.00 62.40 62.80 2yst h SER 17 CO 0.48 0.09 -0.76 -0.69 -0.53 0.00 0.00 176.83 175.41 2yst s VAL 18 N -6.14 1.04 -0.50 2.23 1.01 -1.26 -2.82 120.40 113.96 2yst s VAL 18 Ca -0.13 -1.22 -0.27 0.00 0.00 0.00 0.00 61.98 60.35 2yst s VAL 18 Cb 0.14 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2yst s VAL 18 CO 0.72 -0.43 1.88 -0.31 0.00 0.00 0.00 175.10 176.97 2yst s TYR 19 N 1.57 1.67 -0.44 5.22 1.51 0.50 -4.85 117.35 122.53 2yst s TYR 19 Ca 0.04 0.80 -0.14 0.00 -1.01 0.00 0.00 57.07 56.76 2yst s TYR 19 Cb -0.18 -4.06 0.06 0.00 -0.11 0.00 0.00 41.96 37.68 2yst s TYR 19 CO -0.16 -2.55 0.34 -2.00 -1.11 0.00 0.00 175.55 170.07 2yst s GLU 20 N 6.64 2.88 0.33 -0.62 2.12 -1.26 -1.04 118.70 127.75 2yst s GLU 20 Ca 0.74 -1.31 0.06 0.00 0.36 0.00 0.00 54.97 54.83 2yst s GLU 20 Cb -0.16 -4.00 -0.07 0.00 0.26 0.00 0.00 34.13 30.16 2yst s GLU 20 CO 0.26 -0.95 -0.02 0.00 -0.54 0.00 0.00 175.26 174.01 2yst s ALA 21 N 1.59 2.63 -0.35 6.30 0.00 -0.79 -5.02 121.76 126.12 2yst s ALA 21 Ca 0.04 -2.07 -0.03 0.00 0.00 0.00 0.00 51.96 49.90 2yst s ALA 21 Cb -0.23 0.28 0.07 0.00 0.00 0.00 0.00 23.12 23.24 2yst s ALA 21 CO 0.06 -0.13 0.10 0.16 0.00 0.00 0.00 175.76 175.95 2yst s ASP 22 N -3.54 5.11 -0.10 0.00 -4.77 -1.26 -1.78 116.67 110.33 2yst s ASP 22 Ca 0.33 -1.55 -0.16 0.00 -3.30 0.00 0.00 52.55 47.87 2yst s ASP 22 Cb 0.06 -1.79 -0.05 0.00 -1.09 0.00 0.00 42.92 40.06 2yst s ASP 22 CO 0.15 -0.38 0.39 -0.22 0.70 0.00 0.00 175.17 175.81 2yst s LEU 23 N 1.23 4.32 -0.42 2.11 1.98 -0.81 -4.92 118.68 122.18 2yst s LEU 23 Ca 0.01 0.75 -0.27 0.00 -2.89 0.00 0.00 54.13 51.72 2yst s LEU 23 Cb -0.21 -2.55 0.02 0.00 0.66 0.00 0.00 46.19 44.12 2yst s LEU 23 CO -0.02 0.13 1.02 0.00 -1.89 0.00 0.00 176.35 175.59 2yst s ALA 24 N 0.09 3.30 0.39 5.97 0.00 -1.26 -0.39 121.76 129.85 2yst s ALA 24 Ca 0.22 -0.47 0.28 0.00 0.00 0.00 0.00 51.96 51.99 2yst s ALA 24 Cb -0.15 -3.70 1.34 0.00 0.00 0.00 0.00 23.12 20.61 2yst s ALA 24 CO 0.09 -1.90 1.42 -0.85 0.00 0.00 0.00 175.76 174.52 2yst n GLU 25 N 7.23 -0.04 -1.22 0.00 -0.00 -0.67 0.11 120.64 126.05 2yst n GLU 25 Ca 0.09 1.16 -0.22 0.00 -0.00 0.00 0.00 57.16 58.19 2yst n GLU 25 Cb 0.48 -2.25 -0.02 0.00 -0.00 0.00 0.00 31.44 29.65 2yst n GLU 25 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2yst n ASN 26 N -4.61 6.44 -4.74 -1.84 5.03 -1.26 -4.02 115.26 110.25 2yst n ASN 26 Ca 0.36 -3.13 -0.38 0.00 0.87 0.00 0.00 54.58 52.31 2yst n ASN 26 Cb 1.39 -1.17 -0.06 0.00 -1.02 0.00 0.00 39.78 38.92 2yst n ASN 26 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2yst s SER 27 N 0.32 6.74 1.12 6.41 0.01 0.29 -5.03 113.70 123.56 2yst s SER 27 Ca 0.48 0.88 -0.12 0.00 1.31 0.00 0.00 55.95 58.50 2yst s SER 27 Cb 0.33 -2.29 0.26 0.00 0.21 0.00 0.00 66.02 64.52 2yst s SER 27 CO -0.12 0.05 1.05 0.00 0.41 0.00 0.00 173.24 174.63 2yst s ALA 28 N 0.32 -0.13 -1.61 1.44 0.00 -1.26 -3.99 121.76 116.53 2yst s ALA 28 Ca 0.26 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2yst s ALA 28 Cb -0.16 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2yst s ALA 28 CO 0.12 -3.69 0.39 -0.35 0.00 0.00 0.00 175.76 172.22 2yst n PRO 29 N -4.83 0.48 -1.56 0.00 -0.04 -1.26 -2.63 135.00 125.16 2yst n PRO 29 Ca 0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 2yst n PRO 29 Cb 0.53 -1.09 -0.00 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.09 0.99 3.72 0.55 0.00 -0.97 -2.82 105.19 106.76 2yst n GLY 30 Ca 0.00 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.27 4.96 0.02 2.61 2.01 -1.08 -4.69 115.64 119.20 2yst s THR 31 Ca 0.11 1.55 -0.30 0.00 0.31 0.00 0.00 61.69 63.36 2yst s THR 31 Cb 0.19 -4.09 -0.06 0.00 0.01 0.00 0.00 72.50 68.55 2yst s THR 31 CO -0.06 0.27 1.43 -2.16 -0.69 0.00 0.00 174.62 173.40 2yst s PRO 32 N 0.63 4.28 -0.05 4.92 0.04 -1.26 -0.51 135.00 143.05 2yst s PRO 32 Ca 0.39 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.42 2yst s PRO 32 Cb -0.19 -3.54 -0.01 0.00 0.04 0.00 0.00 34.50 30.80 2yst s PRO 32 CO 0.20 -0.58 -0.08 -0.89 0.04 0.00 0.00 177.00 175.70 2yst n ILE 33 N 4.58 0.42 -3.60 0.56 5.41 0.89 -4.95 119.36 122.67 2yst n ILE 33 Ca 0.13 0.41 -0.16 0.00 1.00 0.00 0.00 62.75 64.13 2yst n ILE 33 Cb 0.43 -1.75 -0.07 0.00 -0.71 0.00 0.00 39.64 37.54 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 -5.71 -0.28 -0.44 1.39 0.05 -1.17 -4.97 118.68 107.56 2yst s LEU 34 Ca -0.06 0.69 -0.20 0.00 0.05 0.00 0.00 54.13 54.60 2yst s LEU 34 Cb 0.01 2.19 0.02 0.00 -2.05 0.00 0.00 46.19 46.36 2yst s LEU 34 CO 0.09 -0.50 0.61 -1.58 -0.55 0.00 0.00 176.35 174.43 2yst s GLN 35 N -0.92 3.25 -0.35 1.48 0.74 -1.26 -1.59 119.66 121.01 2yst s GLN 35 Ca -0.09 -0.43 -0.28 0.00 0.05 0.00 0.00 55.36 54.60 2yst s GLN 35 Cb -0.02 -3.95 -0.01 0.00 1.10 0.00 0.00 33.01 30.12 2yst s GLN 35 CO 0.07 -0.99 1.74 -0.51 -0.55 0.00 0.00 175.29 175.05 2yst s LEU 36 N 2.72 3.51 -0.05 3.68 2.01 0.58 -4.95 118.68 126.17 2yst s LEU 36 Ca 0.21 1.21 0.06 0.00 0.01 0.00 0.00 54.13 55.62 2yst s LEU 36 Cb -0.15 -3.49 -0.01 0.00 0.01 0.00 0.00 46.19 42.55 2yst s LEU 36 CO 0.18 -1.68 -0.23 -0.13 1.01 0.00 0.00 176.35 175.50 2yst s ARG 37 N 5.58 2.50 -0.36 1.70 1.81 -1.26 -4.62 118.95 124.30 2yst s ARG 37 Ca 0.77 -0.87 0.06 0.00 -1.72 0.00 0.00 55.73 53.96 2yst s ARG 37 Cb -0.21 -2.19 0.45 0.00 -0.45 0.00 0.00 34.95 32.55 2yst s ARG 37 CO 0.33 0.44 1.27 0.00 -0.68 0.00 0.00 175.30 176.66 2yst n ALA 38 N 2.79 5.17 -0.78 2.13 0.00 -1.26 -1.97 120.51 126.58 2yst n ALA 38 Ca -0.17 -3.86 -0.05 0.00 0.00 0.00 0.00 53.44 49.36 2yst n ALA 38 Cb 0.52 -0.52 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.69 -1.36 -3.59 0.00 0.00 -1.26 -4.32 120.51 109.29 2yst n ALA 39 Ca 0.45 -0.40 -0.23 0.00 0.00 0.00 0.00 53.44 53.27 2yst n ALA 39 Cb 0.88 -0.04 0.05 0.00 0.00 0.00 0.00 19.45 20.34 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 -2.87 -3.55 0.00 0.00 9.92 -1.26 -4.73 116.55 114.06 2yst n ASP 40 Ca 0.04 -0.85 0.00 0.00 -0.53 0.00 0.00 54.79 53.45 2yst n ASP 40 Cb 0.16 -4.14 0.00 0.00 -0.64 0.00 0.00 41.12 36.50 2yst n ASP 40 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2yst n LEU 41 N -4.02 0.00 -2.72 0.64 4.77 -1.26 -4.86 117.00 109.55 2yst n LEU 41 Ca -0.19 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.57 2yst n LEU 41 Cb 0.64 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 2yst n LEU 41 CO 0.66 -0.46 0.05 0.47 -1.33 0.00 0.00 177.39 176.78 2yst n ASP 42 N -2.40 3.38 -3.46 -1.43 9.92 -1.26 -4.89 116.55 116.42 2yst n ASP 42 Ca 0.00 -3.38 -0.18 0.00 -0.53 0.00 0.00 54.79 50.70 2yst n ASP 42 Cb 0.00 -0.52 0.08 0.00 -0.64 0.00 0.00 41.12 40.04 2yst n ASP 42 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2yst n VAL 43 N -0.23 -6.09 -1.59 2.53 0.31 -1.26 -4.52 118.33 107.48 2yst n VAL 43 Ca 0.28 -0.60 -0.01 0.00 -0.01 0.00 0.00 64.34 64.00 2yst n VAL 43 Cb 0.64 -4.95 -0.01 0.00 -0.91 0.00 0.00 33.84 28.61 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 -1.22 -3.73 3.82 2.92 0.00 -1.26 -5.09 105.19 100.63 2yst n GLY 44 Ca -0.27 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 2yst n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yst s VAL 45 N -0.19 1.78 0.22 1.61 -7.23 -1.26 -5.04 120.40 110.29 2yst s VAL 45 Ca -0.04 -1.65 -0.08 0.00 -1.81 0.00 0.00 61.98 58.40 2yst s VAL 45 Cb 0.00 -2.44 0.18 0.00 0.56 0.00 0.00 36.38 34.69 2yst s VAL 45 CO 0.10 0.00 1.83 0.78 -0.31 0.00 0.00 175.10 177.50 2yst h ASN 46 N 1.08 1.05 0.00 4.85 4.21 -1.98 -3.47 115.58 121.33 2yst h ASN 46 Ca -0.40 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.00 2yst h ASN 46 Cb 1.29 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 38.22 2yst h ASN 46 CO 0.64 0.86 0.00 0.61 -1.29 0.00 0.00 177.43 178.25 2yst n GLY 47 N -1.09 0.63 2.78 2.83 0.00 -1.26 -5.11 105.19 103.98 2yst n GLY 47 Ca 0.08 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 1.89 -0.14 1.61 -0.21 -1.26 -5.05 119.66 116.51 2yst s GLN 48 Ca 0.00 -2.78 -0.04 0.00 0.02 0.00 0.00 55.36 52.56 2yst s GLN 48 Cb 0.00 -2.84 0.06 0.00 1.00 0.00 0.00 33.01 31.24 2yst s GLN 48 CO 0.00 -1.26 0.15 0.42 -2.12 0.00 0.00 175.29 172.48 2yst s ILE 49 N -0.69 -0.22 -0.38 1.08 -1.09 -1.26 -4.36 121.20 114.27 2yst s ILE 49 Ca 0.24 0.10 -0.27 0.00 -2.23 0.00 0.00 60.65 58.48 2yst s ILE 49 Cb -0.09 -0.46 0.02 0.00 -1.58 0.00 0.00 42.46 40.34 2yst s ILE 49 CO -0.12 -0.06 1.01 -0.70 -1.23 0.00 0.00 174.94 173.84 2yst s GLU 50 N 2.25 3.86 -0.34 2.79 2.12 -0.80 -4.62 118.70 123.96 2yst s GLU 50 Ca 0.04 0.69 -0.12 0.00 0.36 0.00 0.00 54.97 55.94 2yst s GLU 50 Cb -0.14 -3.81 -0.01 0.00 0.26 0.00 0.00 34.13 30.42 2yst s GLU 50 CO -0.08 -1.04 0.22 0.71 -0.54 0.00 0.00 175.26 174.53 2yst s TYR 51 N 3.74 3.22 0.30 5.30 1.51 -1.25 0.41 117.35 130.58 2yst s TYR 51 Ca 0.42 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 56.17 2yst s TYR 51 Cb -0.11 -2.46 -0.06 0.00 -0.11 0.00 0.00 41.96 39.22 2yst s TYR 51 CO 0.21 -0.41 0.04 0.14 -1.11 0.00 0.00 175.55 174.42 2yst s VAL 52 N 1.69 1.21 -0.84 0.71 -7.23 -0.27 -3.48 120.40 112.20 2yst s VAL 52 Ca 0.05 -2.02 -0.25 0.00 -1.81 0.00 0.00 61.98 57.95 2yst s VAL 52 Cb -0.17 -2.69 -0.00 0.00 0.56 0.00 0.00 36.38 34.08 2yst s VAL 52 CO 0.09 -0.08 1.69 -0.36 -0.31 0.00 0.00 175.10 176.13 2yst s PHE 53 N -3.29 2.04 0.00 2.82 0.08 -1.26 -0.21 117.98 118.16 2yst s PHE 53 Ca 0.35 0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.58 2yst s PHE 53 Cb 0.08 -4.32 0.00 0.00 -0.57 0.00 0.00 43.02 38.21 2yst s PHE 53 CO 0.14 -1.98 0.00 0.41 -0.10 0.00 0.00 175.22 173.69 2yst n GLY 54 N 6.34 -2.28 3.21 4.36 0.00 -0.87 -4.39 105.19 111.57 2yst n GLY 54 Ca 0.27 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.85 2yst n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yst n ALA 55 N -3.00 4.58 -2.53 4.61 0.00 -1.18 -4.96 120.51 118.04 2yst n ALA 55 Ca 0.00 -4.65 -0.25 0.00 0.00 0.00 0.00 53.44 48.54 2yst n ALA 55 Cb 0.00 -2.51 -0.10 0.00 0.00 0.00 0.00 19.45 16.83 2yst n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yst s ALA 56 N -1.42 2.76 0.11 0.00 0.00 -1.26 -2.71 121.76 119.24 2yst s ALA 56 Ca 0.33 -2.00 0.02 0.00 0.00 0.00 0.00 51.96 50.30 2yst s ALA 56 Cb -0.03 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 2yst s ALA 56 CO -0.01 -0.23 0.24 -0.08 0.00 0.00 0.00 175.76 175.69 2yst s THR 57 N -3.07 5.31 0.63 0.00 -1.32 -1.26 -4.97 115.64 110.96 2yst s THR 57 Ca 0.34 -0.58 0.34 0.00 -1.21 0.00 0.00 61.69 60.57 2yst s THR 57 Cb 0.08 -3.67 0.34 0.00 -1.51 0.00 0.00 72.50 67.74 2yst s THR 57 CO 0.16 0.01 2.03 1.05 -2.21 0.00 0.00 174.62 175.65 2yst h GLU 58 N 2.56 0.00 0.00 7.08 4.11 -2.01 0.33 114.58 126.65 2yst h GLU 58 Ca -0.47 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.79 2yst h GLU 58 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2yst h GLU 58 CO 0.71 0.00 -0.79 0.77 0.07 0.00 0.00 179.01 179.77 2yst h SER 59 N 0.00 0.00 0.41 3.06 0.02 -1.99 -2.99 113.55 112.06 2yst h SER 59 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 2yst h SER 59 Cb 0.46 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.01 2yst h SER 59 CO 0.00 0.79 -1.11 0.58 -1.14 0.00 0.00 176.83 175.95 2yst h VAL 60 N 0.00 1.41 -0.13 2.27 2.07 -0.70 -1.20 116.25 119.97 2yst h VAL 60 Ca -0.01 -2.67 -0.14 0.00 0.82 0.00 0.00 66.70 64.70 2yst h VAL 60 Cb 1.61 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 34.03 2yst h VAL 60 CO 0.10 0.79 -0.51 0.08 0.02 0.00 0.00 177.57 178.05 2yst h ARG 61 N 0.18 0.35 0.19 1.57 0.11 -1.55 0.78 114.38 116.02 2yst h ARG 61 Ca -0.12 -0.21 -0.27 0.00 0.10 0.00 0.00 59.98 59.49 2yst h ARG 61 Cb 1.78 0.02 0.03 0.00 1.11 0.00 0.00 29.97 32.91 2yst h ARG 61 CO 0.19 0.78 -1.19 0.07 0.10 0.00 0.00 179.97 179.92 2yst h ARG 62 N 0.28 0.40 0.01 0.08 0.11 -1.57 -3.34 114.38 110.35 2yst h ARG 62 Ca 0.01 -0.68 -0.21 0.00 0.10 0.00 0.00 59.98 59.20 2yst h ARG 62 Cb 1.00 0.25 -0.02 0.00 1.11 0.00 0.00 29.97 32.31 2yst h ARG 62 CO 0.09 1.33 -0.97 1.25 0.10 0.00 0.00 179.97 181.76 2yst h LEU 63 N -0.13 0.07 -8.27 0.08 5.85 -1.24 -3.37 115.31 108.30 2yst h LEU 63 Ca -0.22 -0.07 -0.53 0.00 0.84 0.00 0.00 57.88 57.91 2yst h LEU 63 Cb 1.90 -0.02 -0.30 0.00 0.37 0.00 0.00 40.66 42.61 2yst h LEU 63 CO 0.20 1.00 -0.83 -0.76 -0.34 0.00 0.00 178.44 177.71 2yst s LEU 64 N -6.91 2.01 -0.06 2.25 1.43 0.27 -1.70 118.68 115.96 2yst s LEU 64 Ca -0.00 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2yst s LEU 64 Cb 0.10 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 2yst s LEU 64 CO 0.82 0.19 -0.10 -0.60 0.23 0.00 0.00 176.35 176.89 2yst s ARG 65 N -0.30 2.65 0.06 1.70 6.06 -0.05 -3.82 118.95 125.24 2yst s ARG 65 Ca 0.05 -0.61 0.07 0.00 -2.50 0.00 0.00 55.73 52.74 2yst s ARG 65 Cb -0.07 -2.50 -0.03 0.00 0.06 0.00 0.00 34.95 32.41 2yst s ARG 65 CO -0.00 0.65 -0.20 -1.17 -2.50 0.00 0.00 175.30 172.07 2yst s LEU 66 N -0.77 2.20 0.32 -0.88 2.96 -1.26 -1.54 118.68 119.70 2yst s LEU 66 Ca 0.12 -0.55 0.08 0.00 -0.22 0.00 0.00 54.13 53.55 2yst s LEU 66 Cb -0.11 -0.93 -0.03 0.00 0.50 0.00 0.00 46.19 45.62 2yst s LEU 66 CO 0.01 0.13 0.24 -1.81 -1.32 0.00 0.00 176.35 173.60 2yst s ASP 67 N -1.33 5.20 0.00 3.68 1.01 -1.04 -4.99 116.67 119.19 2yst s ASP 67 Ca 0.07 -0.51 0.00 0.00 0.71 0.00 0.00 52.55 52.82 2yst s ASP 67 Cb -0.09 -1.00 0.00 0.00 1.01 0.00 0.00 42.92 42.84 2yst s ASP 67 CO 0.02 -0.28 0.00 -1.84 0.21 0.00 0.00 175.17 173.29 2yst n GLU 68 N -1.28 0.00 0.11 8.23 0.00 -1.23 -4.10 120.64 122.38 2yst n GLU 68 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.11 2yst n GLU 68 Cb 0.60 -0.71 0.23 0.00 0.00 0.00 0.00 31.44 31.56 2yst n GLU 68 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 2yst h THR 69 N 0.00 1.32 0.00 3.84 2.02 -1.89 -3.31 112.91 114.89 2yst h THR 69 Ca 0.00 -1.58 -0.27 0.00 0.77 0.00 0.00 66.41 65.33 2yst h THR 69 Cb 0.63 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.76 2yst h THR 69 CO 0.00 0.47 -2.00 -1.54 0.37 0.00 0.00 175.52 172.81 2yst n SER 70 N -4.00 2.00 0.00 4.18 3.41 -1.26 -4.99 113.62 112.96 2yst n SER 70 Ca -0.02 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2yst n SER 70 Cb 0.49 0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 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 2.36 0.58 3.49 5.00 0.00 -1.25 -4.90 105.19 110.47 2yst n GLY 71 Ca -0.27 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 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 3.09 -0.11 1.61 0.52 -1.26 0.21 118.94 120.99 2yst s TRP 72 Ca 0.00 -0.32 -0.04 0.00 0.02 0.00 0.00 56.10 55.76 2yst s TRP 72 Cb 0.00 -2.09 -0.03 0.00 -1.15 0.00 0.00 33.47 30.19 2yst s TRP 72 CO 0.00 -0.15 0.03 -1.17 0.02 0.00 0.00 176.95 175.67 2yst s LEU 73 N 0.90 3.71 0.30 2.99 0.20 -0.62 -2.50 118.68 123.65 2yst s LEU 73 Ca 0.02 0.15 -0.08 0.00 0.69 0.00 0.00 54.13 54.92 2yst s LEU 73 Cb -0.14 -1.88 0.00 0.00 -0.43 0.00 0.00 46.19 43.74 2yst s LEU 73 CO 0.02 0.33 0.48 -0.94 -0.29 0.00 0.00 176.35 175.94 2yst s SER 74 N -0.56 0.38 0.50 3.68 1.04 -0.59 -0.08 113.70 118.08 2yst s SER 74 Ca 0.10 -1.23 -0.17 0.00 0.48 0.00 0.00 55.95 55.13 2yst s SER 74 Cb -0.12 0.63 -0.08 0.00 0.10 0.00 0.00 66.02 66.55 2yst s SER 74 CO 0.02 -1.23 0.97 -0.69 0.98 0.00 0.00 173.24 173.29 2yst s VAL 75 N -3.46 4.52 -0.06 5.02 1.01 0.34 -0.87 120.40 126.90 2yst s VAL 75 Ca 0.27 1.23 0.01 0.00 0.00 0.00 0.00 61.98 63.49 2yst s VAL 75 Cb -0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2yst s VAL 75 CO 0.14 -0.63 -0.04 -0.11 0.00 0.00 0.00 175.10 174.46 2yst n LEU 76 N -1.45 2.58 -4.18 3.92 7.94 -0.69 -2.28 117.00 122.84 2yst n LEU 76 Ca 0.06 -0.03 -0.18 0.00 -1.11 0.00 0.00 56.01 54.75 2yst n LEU 76 Cb 0.54 -0.17 -0.12 0.00 0.53 0.00 0.00 43.42 44.21 2yst n LEU 76 CO 0.45 0.53 -0.46 -1.00 -1.11 0.00 0.00 177.39 175.81 2yst s HIS 77 N -2.12 1.24 0.41 1.96 3.76 -1.02 -4.50 115.29 115.01 2yst s HIS 77 Ca -0.07 -0.47 -0.23 0.00 -0.15 0.00 0.00 55.06 54.13 2yst s HIS 77 Cb 0.02 -0.69 -0.12 0.00 1.11 0.00 0.00 32.58 32.90 2yst s HIS 77 CO 0.15 0.07 0.66 0.54 -0.85 0.00 0.00 174.74 175.30 2yst n ARG 78 N 1.19 0.73 -5.08 1.40 1.74 -1.26 -4.61 116.66 110.78 2yst n ARG 78 Ca -0.21 0.27 -0.31 0.00 -0.77 0.00 0.00 57.85 56.83 2yst n ARG 78 Cb 0.54 -1.61 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 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 -1.39 2.18 -0.17 0.55 1.01 -1.26 -5.03 121.20 117.09 2yst s ILE 79 Ca 0.63 -1.22 0.01 0.00 0.00 0.00 0.00 60.65 60.08 2yst s ILE 79 Cb -0.61 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.07 2yst s ILE 79 CO 0.58 0.48 -0.17 -0.62 0.00 0.00 0.00 174.94 175.21 2yst s ASP 80 N -0.93 3.06 0.55 3.58 -1.08 -1.26 -4.34 116.67 116.24 2yst s ASP 80 Ca 0.11 -0.65 0.34 0.00 -0.52 0.00 0.00 52.55 51.84 2yst s ASP 80 Cb -0.10 -1.36 1.51 0.00 -1.46 0.00 0.00 42.92 41.51 2yst s ASP 80 CO 0.01 -0.04 1.81 -0.09 0.52 0.00 0.00 175.17 177.37 2yst h ARG 81 N 7.97 0.00 0.29 4.34 2.43 -1.81 0.60 114.38 128.20 2yst h ARG 81 Ca -0.40 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 2yst h ARG 81 Cb 1.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2yst h ARG 81 CO 0.58 0.00 -0.14 1.49 -1.51 0.00 0.00 179.97 180.39 2yst h GLU 82 N 0.00 -0.38 -0.32 0.20 4.81 -1.99 -3.19 114.58 113.71 2yst h GLU 82 Ca 0.49 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.70 2yst h GLU 82 Cb 2.07 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 31.52 2yst h GLU 82 CO -0.01 -0.04 -0.01 1.05 -0.73 0.00 0.00 179.01 179.27 2yst h GLU 83 N -0.79 0.49 -3.87 1.92 4.11 -1.49 -3.42 114.58 111.53 2yst h GLU 83 Ca -0.04 -0.10 -0.29 0.00 0.07 0.00 0.00 59.36 58.99 2yst h GLU 83 Cb 0.51 -0.07 -0.30 0.00 0.50 0.00 0.00 28.75 29.38 2yst h GLU 83 CO 0.07 0.53 -0.74 0.14 0.07 0.00 0.00 179.01 179.08 2yst s VAL 84 N -4.95 0.16 -0.06 -1.06 -7.23 0.02 -5.03 120.40 102.26 2yst s VAL 84 Ca -0.07 -0.02 0.07 0.00 -1.81 0.00 0.00 61.98 60.15 2yst s VAL 84 Cb 0.15 -0.18 -0.11 0.00 0.56 0.00 0.00 36.38 36.81 2yst s VAL 84 CO 0.76 0.08 0.08 -3.20 -0.31 0.00 0.00 175.10 172.51 2yst n ASN 85 N 3.43 3.11 -3.66 4.85 2.85 -1.24 -3.79 115.26 120.82 2yst n ASN 85 Ca -0.18 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.22 2yst n ASN 85 Cb 0.56 0.90 -0.09 0.00 1.24 0.00 0.00 39.78 42.40 2yst n ASN 85 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2yst s GLN 86 N -2.31 0.41 -0.31 1.20 0.74 -1.26 -2.93 119.66 115.20 2yst s GLN 86 Ca -0.04 1.08 -0.12 0.00 0.05 0.00 0.00 55.36 56.34 2yst s GLN 86 Cb 0.03 0.35 -0.03 0.00 1.10 0.00 0.00 33.01 34.46 2yst s GLN 86 CO 0.32 -0.22 0.21 -0.51 -0.55 0.00 0.00 175.29 174.55 2yst s LEU 87 N 2.36 4.25 -0.19 3.68 1.43 -1.04 -5.00 118.68 124.17 2yst s LEU 87 Ca -0.05 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 2yst s LEU 87 Cb -0.11 -2.12 0.04 0.00 0.03 0.00 0.00 46.19 44.03 2yst s LEU 87 CO -0.14 -0.14 -0.08 -0.13 0.23 0.00 0.00 176.35 176.08 2yst s ARG 88 N 1.74 1.82 0.03 1.70 0.52 -1.26 -1.60 118.95 121.90 2yst s ARG 88 Ca 0.06 -0.72 -0.07 0.00 -0.52 0.00 0.00 55.73 54.48 2yst s ARG 88 Cb -0.17 -2.26 -0.00 0.00 0.52 0.00 0.00 34.95 33.04 2yst s ARG 88 CO 0.11 -0.43 0.14 -0.59 0.02 0.00 0.00 175.30 174.55 2yst s PHE 89 N 1.48 0.12 0.01 -0.53 -0.12 -1.12 -4.94 117.98 112.89 2yst s PHE 89 Ca -0.00 -0.35 -0.01 0.00 -0.05 0.00 0.00 56.93 56.51 2yst s PHE 89 Cb -0.16 -0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.11 2yst s PHE 89 CO -0.08 -0.38 0.16 0.99 -0.05 0.00 0.00 175.22 175.87 2yst s THR 90 N -2.38 5.24 -0.00 -4.49 2.01 -1.10 -1.04 115.64 113.88 2yst s THR 90 Ca -0.07 -0.29 0.08 0.00 0.31 0.00 0.00 61.69 61.72 2yst s THR 90 Cb -0.02 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 2yst s THR 90 CO -0.03 0.28 -0.24 0.68 -0.69 0.00 0.00 174.62 174.61 2yst s VAL 91 N -1.35 1.91 0.13 3.82 -7.23 -0.34 -2.05 120.40 115.30 2yst s VAL 91 Ca 0.28 -1.10 0.05 0.00 -1.81 0.00 0.00 61.98 59.40 2yst s VAL 91 Cb -0.13 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2yst s VAL 91 CO 0.20 0.48 0.04 -0.04 -0.31 0.00 0.00 175.10 175.47 2yst s MET 92 N -0.74 2.65 -0.35 4.82 -1.94 0.71 -1.26 119.30 123.19 2yst s MET 92 Ca 0.10 -0.89 0.00 0.00 -1.71 0.00 0.00 55.69 53.19 2yst s MET 92 Cb -0.09 -2.55 0.11 0.00 2.01 0.00 0.00 34.83 34.31 2yst s MET 92 CO -0.00 0.51 0.14 0.00 -0.01 0.00 0.00 175.02 175.66 2yst s ALA 93 N -1.53 1.74 0.80 3.03 0.00 -1.13 -1.11 121.76 123.56 2yst s ALA 93 Ca 0.28 -1.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.15 2yst s ALA 93 Cb -0.11 -1.71 0.07 0.00 0.00 0.00 0.00 23.12 21.37 2yst s ALA 93 CO 0.20 -1.80 1.10 1.03 0.00 0.00 0.00 175.76 176.29 2yst s ARG 94 N 1.22 2.05 0.28 0.00 0.52 0.17 -3.75 118.95 119.42 2yst s ARG 94 Ca 0.12 0.65 0.02 0.00 -0.52 0.00 0.00 55.73 56.00 2yst s ARG 94 Cb -0.20 -1.91 -0.05 0.00 0.52 0.00 0.00 34.95 33.31 2yst s ARG 94 CO -0.16 -1.65 0.09 0.34 0.02 0.00 0.00 175.30 173.94 2yst s ASP 95 N -3.88 1.47 -1.31 0.23 2.15 -1.22 -1.90 116.67 112.21 2yst s ASP 95 Ca 0.61 -1.39 -0.13 0.00 0.43 0.00 0.00 52.55 52.07 2yst s ASP 95 Cb -0.15 0.12 0.12 0.00 -0.30 0.00 0.00 42.92 42.72 2yst s ASP 95 CO 0.54 -0.71 1.84 -2.11 -0.17 0.00 0.00 175.17 174.56 2yst n ARG 96 N -0.52 3.30 -3.79 4.34 1.85 -1.26 -4.76 116.66 115.82 2yst n ARG 96 Ca -0.00 -3.32 -0.04 0.00 -1.00 0.00 0.00 57.85 53.49 2yst n ARG 96 Cb 0.66 -3.14 -0.00 0.00 -1.05 0.00 0.00 32.46 28.93 2yst n ARG 96 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2yst s GLY 97 N 2.48 -0.12 -0.11 2.89 0.00 -1.26 -5.08 107.32 106.12 2yst s GLY 97 Ca 0.45 -0.03 -0.04 0.00 0.00 0.00 0.00 44.72 45.09 2yst s GLY 97 CO -0.01 0.57 0.22 1.20 0.00 0.00 0.00 173.10 175.09 2yst s GLN 98 N -2.96 0.12 0.25 2.90 -0.21 -1.26 -1.73 119.66 116.77 2yst s GLN 98 Ca 0.15 0.64 -0.30 0.00 0.02 0.00 0.00 55.36 55.87 2yst s GLN 98 Cb -0.02 -0.12 -0.09 0.00 1.00 0.00 0.00 33.01 33.78 2yst s GLN 98 CO 0.03 -0.26 1.27 -1.25 -2.12 0.00 0.00 175.29 172.96 2yst s PRO 99 N 2.10 4.42 -0.07 2.91 0.04 -1.26 -5.10 135.00 138.04 2yst s PRO 99 Ca -0.01 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 2yst s PRO 99 Cb -0.12 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 2yst s PRO 99 CO -0.08 -0.16 1.50 -1.25 0.04 0.00 0.00 177.00 177.06 2yst s PRO 100 N -0.77 4.21 0.24 0.56 0.04 -0.71 -4.99 135.00 133.59 2yst s PRO 100 Ca 0.53 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 63.28 2yst s PRO 100 Cb -0.36 -3.84 -0.09 0.00 0.04 0.00 0.00 34.50 30.24 2yst s PRO 100 CO 0.42 -0.76 1.05 0.15 0.04 0.00 0.00 177.00 177.91 2yst s LYS 101 N 3.56 4.69 -0.04 4.56 -0.14 -1.26 -4.84 119.74 126.27 2yst s LYS 101 Ca 0.67 1.69 0.02 0.00 -1.36 0.00 0.00 55.97 56.99 2yst s LYS 101 Cb -0.30 -3.24 0.01 0.00 -1.68 0.00 0.00 37.83 32.62 2yst s LYS 101 CO 0.25 0.26 -0.07 0.95 -0.76 0.00 0.00 175.35 175.98 2yst s THR 102 N -0.93 0.71 -0.12 2.17 -4.23 -1.26 -3.39 115.64 108.59 2yst s THR 102 Ca 0.45 -0.27 -0.01 0.00 -1.18 0.00 0.00 61.69 60.67 2yst s THR 102 Cb -0.30 -0.67 -0.02 0.00 1.34 0.00 0.00 72.50 72.85 2yst s THR 102 CO 0.37 0.25 -0.09 -0.62 -0.54 0.00 0.00 174.62 173.99 2yst s ASP 103 N 0.55 4.38 -0.27 3.99 2.15 -1.25 -4.87 116.67 121.35 2yst s ASP 103 Ca -0.08 -0.20 -0.13 0.00 0.43 0.00 0.00 52.55 52.56 2yst s ASP 103 Cb -0.12 -1.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.92 2yst s ASP 103 CO 0.01 0.21 0.29 -0.54 -0.17 0.00 0.00 175.17 174.97 2yst s LYS 104 N 0.09 4.00 -0.08 4.34 1.02 -1.26 -2.84 119.74 125.00 2yst s LYS 104 Ca -0.03 -0.11 0.03 0.00 0.02 0.00 0.00 55.97 55.88 2yst s LYS 104 Cb -0.14 -3.65 -0.02 0.00 -0.52 0.00 0.00 37.83 33.50 2yst s LYS 104 CO 0.04 -0.22 -0.17 0.00 -0.92 0.00 0.00 175.35 174.08 2yst s ALA 105 N 1.89 2.52 -0.12 5.17 0.00 -0.39 -4.91 121.76 125.94 2yst s ALA 105 Ca 0.12 -0.97 -0.26 0.00 0.00 0.00 0.00 51.96 50.85 2yst s ALA 105 Cb -0.16 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 2yst s ALA 105 CO 0.10 0.42 0.85 0.99 0.00 0.00 0.00 175.76 178.12 2yst s THR 106 N -0.23 4.90 -0.39 0.00 2.01 -1.13 -1.19 115.64 119.61 2yst s THR 106 Ca 0.00 1.72 -0.05 0.00 0.31 0.00 0.00 61.69 63.67 2yst s THR 106 Cb -0.13 -4.17 0.08 0.00 0.01 0.00 0.00 72.50 68.29 2yst s THR 106 CO 0.03 0.08 0.18 -0.69 -0.69 0.00 0.00 174.62 173.53 2yst s VAL 107 N 1.71 3.56 -0.39 3.82 1.01 -0.20 -0.37 120.40 129.54 2yst s VAL 107 Ca 0.41 -1.66 -0.15 0.00 0.00 0.00 0.00 61.98 60.58 2yst s VAL 107 Cb -0.18 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.96 2yst s VAL 107 CO 0.16 -0.49 0.33 -0.69 0.00 0.00 0.00 175.10 174.41 2yst s VAL 108 N 1.27 5.21 -0.22 2.92 1.01 -0.21 -2.81 120.40 127.57 2yst s VAL 108 Ca 0.03 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 2yst s VAL 108 Cb -0.22 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 2yst s VAL 108 CO -0.01 -0.24 -0.00 -0.76 0.00 0.00 0.00 175.10 174.08 2yst s LEU 109 N 1.84 3.14 -0.36 3.92 1.43 -0.63 -1.89 118.68 126.12 2yst s LEU 109 Ca 0.08 -0.29 -0.21 0.00 -1.03 0.00 0.00 54.13 52.68 2yst s LEU 109 Cb -0.18 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.24 2yst s LEU 109 CO 0.11 0.00 0.66 0.20 0.23 0.00 0.00 176.35 177.56 2yst s ASN 110 N 1.35 6.44 -0.66 2.29 0.01 -0.73 -2.51 114.94 121.13 2yst s ASN 110 Ca 0.04 0.16 -0.26 0.00 -0.71 0.00 0.00 52.86 52.09 2yst s ASN 110 Cb -0.15 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 2yst s ASN 110 CO 0.00 -0.63 1.98 -0.63 -1.51 0.00 0.00 177.10 176.32 2yst s ILE 111 N 2.78 3.30 0.76 0.60 -1.09 -1.15 -1.93 121.20 124.47 2yst s ILE 111 Ca 0.25 0.06 -0.09 0.00 -2.23 0.00 0.00 60.65 58.64 2yst s ILE 111 Cb -0.14 -3.77 0.08 0.00 -1.58 0.00 0.00 42.46 37.05 2yst s ILE 111 CO 0.15 -0.75 1.09 -0.54 -1.23 0.00 0.00 174.94 173.67 2yst s LYS 112 N 7.30 1.96 -0.31 2.79 -0.14 0.48 -4.79 119.74 127.03 2yst s LYS 112 Ca 0.73 -0.21 -0.05 0.00 -1.36 0.00 0.00 55.97 55.09 2yst s LYS 112 Cb -0.12 -2.08 0.04 0.00 -1.68 0.00 0.00 37.83 33.98 2yst s LYS 112 CO 0.17 -1.46 0.06 0.16 -0.76 0.00 0.00 175.35 173.52 2yst s ASP 113 N -4.58 5.08 -0.16 2.83 1.47 -1.26 -1.67 116.67 118.38 2yst s ASP 113 Ca 0.62 -1.07 -0.23 0.00 1.18 0.00 0.00 52.55 53.05 2yst s ASP 113 Cb -0.10 -1.81 -0.20 0.00 -0.34 0.00 0.00 42.92 40.46 2yst s ASP 113 CO 0.47 -0.27 0.46 -0.08 0.68 0.00 0.00 175.17 176.43 2yst h GLU 114 N 8.15 0.00 -0.28 2.11 4.57 -1.93 -3.29 114.58 123.91 2yst h GLU 114 Ca -0.25 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.91 2yst h GLU 114 Cb 1.09 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 2yst h GLU 114 CO 0.58 0.87 0.09 -0.97 -1.18 0.00 0.00 179.01 178.41 2yst h ASN 115 N -1.00 0.40 -0.64 1.04 -0.73 -1.97 -3.02 115.58 109.66 2yst h ASN 115 Ca -0.13 -0.19 0.13 0.00 1.87 0.00 0.00 56.30 57.98 2yst h ASN 115 Cb 1.01 -0.11 -0.11 0.00 0.27 0.00 0.00 38.32 39.38 2yst h ASN 115 CO -0.08 0.49 -0.05 -0.78 -0.37 0.00 0.00 177.43 176.65 2yst h ASP 116 N 0.29 -0.38 -3.00 1.15 1.82 -1.99 -3.31 116.42 111.02 2yst h ASP 116 Ca 0.09 0.17 -0.70 0.00 -0.39 0.00 0.00 57.03 56.20 2yst h ASP 116 Cb 0.23 0.32 -0.20 0.00 0.68 0.00 0.00 39.33 40.36 2yst h ASP 116 CO -0.00 -0.15 0.08 0.20 -1.61 0.00 0.00 179.24 177.75 2yst s ASN 117 N -5.22 6.19 -0.07 2.28 0.02 -1.14 -5.02 114.94 111.98 2yst s ASN 117 Ca -0.14 -1.32 -0.01 0.00 -1.02 0.00 0.00 52.86 50.38 2yst s ASN 117 Cb 0.19 -2.29 0.03 0.00 0.02 0.00 0.00 41.25 39.20 2yst s ASN 117 CO 0.74 -1.05 -0.02 -0.69 0.02 0.00 0.00 177.10 176.10 2yst s VAL 118 N 2.62 0.51 -2.00 1.60 1.01 -1.25 -4.83 120.40 118.06 2yst s VAL 118 Ca 0.12 -0.00 0.16 0.00 0.00 0.00 0.00 61.98 62.25 2yst s VAL 118 Cb -0.23 -0.61 0.44 0.00 0.00 0.00 0.00 36.38 35.98 2yst s VAL 118 CO 0.07 0.27 1.34 -0.81 0.00 0.00 0.00 175.10 175.97