#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yst n SER 2 N 0.00 1.65 -4.80 1.61 2.88 -1.26 -5.01 113.62 108.69 2yst n SER 2 Ca 0.00 0.27 -0.34 0.00 -1.33 0.00 0.00 58.87 57.46 2yst n SER 2 Cb 0.00 -0.62 -0.06 0.00 -0.75 0.00 0.00 64.21 62.78 2yst n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yst s SER 3 N -5.87 6.93 0.00 -3.46 1.04 -1.26 -5.01 113.70 106.07 2yst s SER 3 Ca -0.20 1.80 0.00 0.00 0.48 0.00 0.00 55.95 58.03 2yst s SER 3 Cb 0.03 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2yst s SER 3 CO 0.30 -0.36 0.49 0.61 0.98 0.00 0.00 173.24 175.26 2yst n GLY 4 N -0.19 -3.38 3.74 7.32 0.00 -1.26 -4.57 105.19 106.86 2yst n GLY 4 Ca 0.06 0.50 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.80 3.22 -4.10 1.61 3.41 -1.26 -4.82 113.62 110.87 2yst n SER 5 Ca 0.00 1.17 -0.30 0.00 -0.26 0.00 0.00 58.87 59.47 2yst n SER 5 Cb 0.00 -1.57 -0.17 0.00 -0.26 0.00 0.00 64.21 62.22 2yst n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yst s SER 6 N -0.35 2.75 0.00 4.04 0.01 -1.26 -4.91 113.70 113.99 2yst s SER 6 Ca 0.58 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.32 2yst s SER 6 Cb -0.49 -1.25 0.00 0.00 0.21 0.00 0.00 66.02 64.49 2yst s SER 6 CO 0.60 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.90 2yst n GLY 7 N 4.18 1.84 3.73 3.44 0.00 -1.26 -5.14 105.19 111.99 2yst n GLY 7 Ca -0.19 0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2yst n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yst s ASN 8 N 0.00 6.69 -0.34 1.61 0.01 -1.26 -5.00 114.94 116.65 2yst s ASN 8 Ca 0.00 2.57 -0.01 0.00 -0.71 0.00 0.00 52.86 54.71 2yst s ASN 8 Cb 0.00 -2.61 0.11 0.00 0.41 0.00 0.00 41.25 39.17 2yst s ASN 8 CO 0.00 -0.71 0.15 -1.81 -1.51 0.00 0.00 177.10 173.22 2yst s ASP 9 N 0.69 3.66 -1.37 -1.22 1.01 -1.26 -4.86 116.67 113.33 2yst s ASP 9 Ca 0.63 -1.85 -0.12 0.00 0.71 0.00 0.00 52.55 51.92 2yst s ASP 9 Cb -0.41 -0.70 0.10 0.00 1.01 0.00 0.00 42.92 42.92 2yst s ASP 9 CO 0.37 -0.37 0.57 0.59 0.21 0.00 0.00 175.17 176.54 2yst n ASN 10 N 4.55 -3.48 -4.78 0.27 3.02 -1.26 -4.94 115.26 108.64 2yst n ASN 10 Ca 0.02 -0.56 -0.30 0.00 -0.03 0.00 0.00 54.58 53.70 2yst n ASN 10 Cb 0.40 -2.88 -0.06 0.00 -0.61 0.00 0.00 39.78 36.63 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 -2.88 5.53 0.15 6.41 0.01 -1.26 -5.08 113.70 116.58 2yst s SER 11 Ca 0.50 -0.02 -0.31 0.00 1.31 0.00 0.00 55.95 57.44 2yst s SER 11 Cb -0.27 -1.48 -0.08 0.00 0.21 0.00 0.00 66.02 64.40 2yst s SER 11 CO 0.62 0.16 1.34 -2.16 0.41 0.00 0.00 173.24 173.61 2yst s PRO 12 N -2.46 4.36 -0.06 12.44 0.04 -1.26 -4.96 135.00 143.10 2yst s PRO 12 Ca 0.29 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 63.27 2yst s PRO 12 Cb -0.12 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.21 2yst s PRO 12 CO 0.22 -0.34 0.25 0.50 0.04 0.00 0.00 177.00 177.67 2yst s ARG 13 N 0.55 0.43 0.65 4.56 6.06 -1.26 -4.53 118.95 125.41 2yst s ARG 13 Ca 0.60 0.07 -0.11 0.00 -2.50 0.00 0.00 55.73 53.79 2yst s ARG 13 Cb -0.36 0.20 -0.02 0.00 0.06 0.00 0.00 34.95 34.83 2yst s ARG 13 CO 0.34 -0.09 1.04 -0.06 -2.50 0.00 0.00 175.30 174.03 2yst s PHE 14 N -0.54 3.35 0.10 5.12 0.08 -1.26 -3.52 117.98 121.30 2yst s PHE 14 Ca -0.06 1.37 -0.14 0.00 0.12 0.00 0.00 56.93 58.21 2yst s PHE 14 Cb -0.04 -2.81 -0.10 0.00 -0.57 0.00 0.00 43.02 39.49 2yst s PHE 14 CO 0.02 -0.95 1.38 0.93 -0.10 0.00 0.00 175.22 176.50 2yst h GLU 15 N -0.41 0.72 -4.96 0.44 4.39 -1.86 -3.42 114.58 109.49 2yst h GLU 15 Ca -0.44 -0.44 -0.67 0.00 0.34 0.00 0.00 59.36 58.15 2yst h GLU 15 Cb 1.20 0.04 -0.32 0.00 -0.10 0.00 0.00 28.75 29.57 2yst h GLU 15 CO 0.59 1.06 -0.77 0.15 -1.16 0.00 0.00 179.01 178.88 2yst s LYS 16 N -4.16 2.94 0.33 2.33 1.02 -1.26 -4.99 119.74 115.94 2yst s LYS 16 Ca -0.12 -0.90 0.13 0.00 0.02 0.00 0.00 55.97 55.10 2yst s LYS 16 Cb 0.08 -2.89 1.00 0.00 -0.52 0.00 0.00 37.83 35.51 2yst s LYS 16 CO 0.85 -0.33 1.70 0.77 -0.92 0.00 0.00 175.35 177.42 2yst h SER 17 N 8.00 0.59 -3.26 2.83 0.02 -1.94 -3.31 113.55 116.48 2yst h SER 17 Ca -0.37 0.16 -0.58 0.00 -0.84 0.00 0.00 61.79 60.16 2yst h SER 17 Cb 1.12 0.08 -0.40 0.00 0.14 0.00 0.00 62.40 63.34 2yst h SER 17 CO 0.59 -0.01 -0.76 -0.69 -1.14 0.00 0.00 176.83 174.82 2yst s VAL 18 N -5.70 1.02 -0.54 2.27 1.01 -1.26 -2.96 120.40 114.24 2yst s VAL 18 Ca -0.10 -1.37 -0.27 0.00 0.00 0.00 0.00 61.98 60.23 2yst s VAL 18 Cb 0.29 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2yst s VAL 18 CO 0.79 -0.57 1.83 -0.31 0.00 0.00 0.00 175.10 176.85 2yst s TYR 19 N 1.56 1.72 -0.36 5.22 1.51 0.13 -4.86 117.35 122.27 2yst s TYR 19 Ca 0.07 0.76 -0.10 0.00 -1.01 0.00 0.00 57.07 56.80 2yst s TYR 19 Cb -0.18 -4.10 0.03 0.00 -0.11 0.00 0.00 41.96 37.60 2yst s TYR 19 CO -0.20 -2.43 0.18 -2.00 -1.11 0.00 0.00 175.55 169.99 2yst s GLU 20 N 6.66 2.85 0.29 -0.62 2.12 -1.26 -1.40 118.70 127.34 2yst s GLU 20 Ca 0.70 -1.05 0.04 0.00 0.36 0.00 0.00 54.97 55.02 2yst s GLU 20 Cb -0.15 -3.65 -0.06 0.00 0.26 0.00 0.00 34.13 30.53 2yst s GLU 20 CO 0.24 -0.65 0.02 0.00 -0.54 0.00 0.00 175.26 174.33 2yst s ALA 21 N 1.53 2.21 -0.28 6.30 0.00 -1.05 -5.00 121.76 125.47 2yst s ALA 21 Ca 0.02 -1.96 -0.07 0.00 0.00 0.00 0.00 51.96 49.95 2yst s ALA 21 Cb -0.19 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 2yst s ALA 21 CO 0.06 -0.26 0.08 0.16 0.00 0.00 0.00 175.76 175.80 2yst s ASP 22 N -3.43 5.15 -0.17 0.00 -4.77 -1.26 -2.28 116.67 109.90 2yst s ASP 22 Ca 0.33 -0.49 -0.04 0.00 -3.30 0.00 0.00 52.55 49.06 2yst s ASP 22 Cb 0.07 -1.91 -0.02 0.00 -1.09 0.00 0.00 42.92 39.97 2yst s ASP 22 CO 0.13 -0.13 -0.04 -0.22 0.70 0.00 0.00 175.17 175.62 2yst s LEU 23 N 1.56 3.16 -0.33 2.11 1.98 -1.00 -4.95 118.68 121.20 2yst s LEU 23 Ca 0.04 -0.20 -0.29 0.00 -2.89 0.00 0.00 54.13 50.80 2yst s LEU 23 Cb -0.16 -1.77 0.00 0.00 0.66 0.00 0.00 46.19 44.91 2yst s LEU 23 CO 0.03 0.12 1.36 0.00 -1.89 0.00 0.00 176.35 175.97 2yst s ALA 24 N 0.67 3.26 0.35 5.97 0.00 -1.26 -0.88 121.76 129.86 2yst s ALA 24 Ca -0.02 0.05 0.19 0.00 0.00 0.00 0.00 51.96 52.17 2yst s ALA 24 Cb -0.14 -3.83 1.24 0.00 0.00 0.00 0.00 23.12 20.38 2yst s ALA 24 CO 0.02 -1.98 1.49 -0.85 0.00 0.00 0.00 175.76 174.44 2yst n GLU 25 N 7.58 -0.06 -1.42 0.00 0.28 -0.80 0.98 120.64 127.20 2yst n GLU 25 Ca 0.16 1.31 -0.27 0.00 -0.16 0.00 0.00 57.16 58.19 2yst n GLU 25 Cb 0.47 -2.33 -0.02 0.00 1.43 0.00 0.00 31.44 30.99 2yst n GLU 25 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2yst n ASN 26 N -5.15 6.69 -4.59 -1.84 2.85 -1.26 -3.55 115.26 108.41 2yst n ASN 26 Ca 0.35 -3.30 -0.42 0.00 -0.11 0.00 0.00 54.58 51.10 2yst n ASN 26 Cb 1.18 -1.16 -0.05 0.00 1.24 0.00 0.00 39.78 40.99 2yst n ASN 26 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2yst s SER 27 N -0.00 6.55 0.97 1.20 0.01 0.28 -4.98 113.70 117.73 2yst s SER 27 Ca 0.53 0.40 -0.14 0.00 1.31 0.00 0.00 55.95 58.05 2yst s SER 27 Cb 0.37 -2.38 -0.01 0.00 0.21 0.00 0.00 66.02 64.21 2yst s SER 27 CO -0.19 -0.67 0.06 0.00 0.41 0.00 0.00 173.24 172.85 2yst n ALA 28 N 6.28 -3.45 -2.06 1.44 0.00 -1.26 -4.38 120.51 117.07 2yst n ALA 28 Ca 0.02 -0.69 -0.28 0.00 0.00 0.00 0.00 53.44 52.49 2yst n ALA 28 Cb 0.48 -1.61 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 2yst n ALA 28 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2yst s PRO 29 N -3.21 2.49 0.00 0.00 0.04 -1.26 -2.18 135.00 130.87 2yst s PRO 29 Ca 0.52 -1.13 0.00 0.00 0.04 0.00 0.00 61.00 60.44 2yst s PRO 29 Cb -0.19 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.12 2yst s PRO 29 CO 0.71 -3.97 0.00 0.41 0.04 0.00 0.00 177.00 174.18 2yst n GLY 30 N 5.85 0.45 3.63 0.56 0.00 0.14 -4.79 105.19 111.04 2yst n GLY 30 Ca 0.45 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.92 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 0.12 -2.21 2.61 -1.04 -0.92 -4.20 114.28 108.63 2yst n THR 31 Ca 0.00 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.57 2yst n THR 31 Cb 0.00 -0.97 -0.03 0.00 -1.82 0.00 0.00 70.33 67.51 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 1.63 4.35 0.00 -2.82 0.04 -1.26 -0.19 135.00 136.75 2yst s PRO 32 Ca 0.90 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.97 2yst s PRO 32 Cb -1.00 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 30.30 2yst s PRO 32 CO 0.54 -0.36 0.00 -0.89 0.04 0.00 0.00 177.00 176.33 2yst n ILE 33 N 3.51 0.00 -3.75 0.56 5.41 0.90 -4.92 119.36 121.08 2yst n ILE 33 Ca 0.09 0.38 -0.09 0.00 1.00 0.00 0.00 62.75 64.14 2yst n ILE 33 Cb 0.43 -1.32 -0.02 0.00 -0.71 0.00 0.00 39.64 38.02 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 -4.21 -0.27 -0.13 1.39 0.05 -1.16 -4.97 118.68 109.37 2yst s LEU 34 Ca 0.00 -0.46 -0.04 0.00 0.05 0.00 0.00 54.13 53.68 2yst s LEU 34 Cb 0.00 2.59 -0.03 0.00 -2.05 0.00 0.00 46.19 46.69 2yst s LEU 34 CO 0.00 -1.21 0.01 -1.58 -0.55 0.00 0.00 176.35 173.01 2yst s GLN 35 N -3.88 3.43 -0.41 1.48 2.00 -1.26 -1.46 119.66 119.56 2yst s GLN 35 Ca 0.09 -0.42 -0.15 0.00 -2.00 0.00 0.00 55.36 52.87 2yst s GLN 35 Cb -0.04 -2.93 0.02 0.00 0.80 0.00 0.00 33.01 30.86 2yst s GLN 35 CO 0.01 0.47 0.33 -0.51 -0.50 0.00 0.00 175.29 175.09 2yst s LEU 36 N -0.23 5.01 -0.17 3.68 1.43 0.16 -5.01 118.68 123.55 2yst s LEU 36 Ca 0.06 -0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 52.27 2yst s LEU 36 Cb -0.12 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 2yst s LEU 36 CO 0.02 -0.47 0.10 -0.13 0.23 0.00 0.00 176.35 176.10 2yst s ARG 37 N 1.80 3.88 -0.58 1.70 1.81 -1.26 -4.76 118.95 121.55 2yst s ARG 37 Ca 0.07 -0.26 -0.01 0.00 -1.72 0.00 0.00 55.73 53.81 2yst s ARG 37 Cb -0.18 -3.26 0.41 0.00 -0.45 0.00 0.00 34.95 31.47 2yst s ARG 37 CO 0.11 0.42 2.02 0.00 -0.68 0.00 0.00 175.30 177.17 2yst n ALA 38 N 3.11 6.01 -1.00 2.13 0.00 -1.26 -3.11 120.51 126.38 2yst n ALA 38 Ca -0.17 -3.03 -0.38 0.00 0.00 0.00 0.00 53.44 49.87 2yst n ALA 38 Cb 0.53 -1.66 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.66 -2.52 -0.00 0.00 0.00 -1.23 -4.33 120.51 111.77 2yst n ALA 39 Ca 0.55 0.37 0.00 0.00 0.00 0.00 0.00 53.44 54.36 2yst n ALA 39 Cb 0.71 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2yst n ALA 39 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2yst n ASP 40 N 1.17 0.00 -1.90 0.00 2.03 -1.26 -4.25 116.55 112.34 2yst n ASP 40 Ca 0.13 -0.50 -0.20 0.00 0.52 0.00 0.00 54.79 54.74 2yst n ASP 40 Cb 0.10 0.99 -0.05 0.00 -0.72 0.00 0.00 41.12 41.45 2yst n ASP 40 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2yst n LEU 41 N -0.99 -1.68 -1.77 -2.67 4.77 -1.26 -4.85 117.00 108.55 2yst n LEU 41 Ca 0.00 0.23 0.08 0.00 -0.03 0.00 0.00 56.01 56.29 2yst n LEU 41 Cb 0.00 -2.79 0.38 0.00 -2.33 0.00 0.00 43.42 38.69 2yst n LEU 41 CO 0.00 -0.62 0.84 -0.90 -1.33 0.00 0.00 177.39 175.38 2yst n ASP 42 N -1.50 5.32 -3.13 -1.43 5.68 -1.26 -4.93 116.55 115.30 2yst n ASP 42 Ca -0.22 -2.75 -0.20 0.00 -0.50 0.00 0.00 54.79 51.12 2yst n ASP 42 Cb 0.67 -0.65 -0.04 0.00 -1.14 0.00 0.00 41.12 39.95 2yst n ASP 42 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2yst n VAL 43 N 0.77 -0.12 0.08 2.12 0.24 -1.26 -4.32 118.33 115.84 2yst n VAL 43 Ca 0.26 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 2yst n VAL 43 Cb 1.08 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 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 -1.03 -1.38 3.68 7.63 0.00 -1.26 -5.10 105.19 107.73 2yst n GLY 44 Ca 0.01 0.30 -0.45 0.00 0.00 0.00 0.00 46.02 45.88 2yst n GLY 44 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yst n VAL 45 N -2.85 0.48 -0.74 1.61 0.31 -1.26 -4.84 118.33 111.04 2yst n VAL 45 Ca 0.00 -0.09 -0.07 0.00 -0.01 0.00 0.00 64.34 64.17 2yst n VAL 45 Cb 0.00 -2.00 -0.03 0.00 -0.91 0.00 0.00 33.84 30.90 2yst n VAL 45 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2yst n ASN 46 N 6.09 5.62 -3.66 4.52 3.02 -1.26 -4.76 115.26 124.82 2yst n ASN 46 Ca 0.20 -2.60 -0.28 0.00 -0.03 0.00 0.00 54.58 51.86 2yst n ASN 46 Cb 0.34 -1.18 0.04 0.00 -0.61 0.00 0.00 39.78 38.37 2yst n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yst n GLY 47 N 1.44 -0.86 3.13 7.41 0.00 -1.26 -4.89 105.19 110.16 2yst n GLY 47 Ca 0.18 0.40 -0.44 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.12 3.83 -4.28 1.61 1.13 -1.26 -4.76 117.38 109.54 2yst n GLN 48 Ca -0.13 -4.13 -0.23 0.00 -1.94 0.00 0.00 57.00 50.56 2yst n GLN 48 Cb 0.61 -2.73 -0.12 0.00 0.11 0.00 0.00 30.24 28.11 2yst n GLN 48 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2yst s ILE 49 N -0.79 1.66 -0.62 5.09 -1.09 -1.26 -4.80 121.20 119.40 2yst s ILE 49 Ca 0.36 -1.56 -0.24 0.00 -2.23 0.00 0.00 60.65 56.98 2yst s ILE 49 Cb 0.01 -1.54 0.05 0.00 -1.58 0.00 0.00 42.46 39.40 2yst s ILE 49 CO 0.02 -0.10 1.01 -1.61 -1.23 0.00 0.00 174.94 173.02 2yst s GLU 50 N -1.98 3.24 -1.17 2.79 2.02 0.94 -4.78 118.70 119.76 2yst s GLU 50 Ca 0.06 -0.44 -0.18 0.00 0.02 0.00 0.00 54.97 54.44 2yst s GLU 50 Cb -0.10 -4.13 0.11 0.00 0.10 0.00 0.00 34.13 30.11 2yst s GLU 50 CO 0.04 -1.70 1.51 0.71 0.02 0.00 0.00 175.26 175.84 2yst s TYR 51 N 4.28 3.02 0.41 1.61 2.02 -1.25 -2.52 117.35 124.92 2yst s TYR 51 Ca 0.29 -1.63 0.06 0.00 -0.37 0.00 0.00 57.07 55.42 2yst s TYR 51 Cb -0.13 -4.54 0.00 0.00 -0.40 0.00 0.00 41.96 36.89 2yst s TYR 51 CO 0.16 -1.65 0.56 0.14 -1.57 0.00 0.00 175.55 173.19 2yst s VAL 52 N 3.29 3.46 -0.32 0.71 -7.23 -0.23 -3.97 120.40 116.11 2yst s VAL 52 Ca 0.46 -0.91 -0.29 0.00 -1.81 0.00 0.00 61.98 59.43 2yst s VAL 52 Cb -0.00 -3.20 0.01 0.00 0.56 0.00 0.00 36.38 33.75 2yst s VAL 52 CO 0.00 -0.09 1.18 -0.36 -0.31 0.00 0.00 175.10 175.52 2yst s PHE 53 N -2.35 2.91 0.00 2.82 0.08 -1.26 0.08 117.98 120.26 2yst s PHE 53 Ca 0.51 1.00 0.00 0.00 0.12 0.00 0.00 56.93 58.56 2yst s PHE 53 Cb -0.10 -3.86 0.00 0.00 -0.57 0.00 0.00 43.02 38.50 2yst s PHE 53 CO 0.33 -1.25 0.10 0.41 -0.10 0.00 0.00 175.22 174.71 2yst n GLY 54 N 4.16 -0.00 2.52 4.36 0.00 0.35 -4.62 105.19 111.96 2yst n GLY 54 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.75 5.41 -2.05 4.61 0.00 -1.19 -4.97 120.51 120.57 2yst n ALA 55 Ca 0.00 -4.20 -0.39 0.00 0.00 0.00 0.00 53.44 48.84 2yst n ALA 55 Cb 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 2yst n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yst s ALA 56 N -3.67 3.44 0.88 0.00 0.00 -1.26 -4.33 121.76 116.82 2yst s ALA 56 Ca 0.50 0.34 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 2yst s ALA 56 Cb 0.41 -2.95 0.13 0.00 0.00 0.00 0.00 23.12 20.71 2yst s ALA 56 CO -0.21 0.27 1.23 0.95 0.00 0.00 0.00 175.76 178.00 2yst s THR 57 N -1.00 1.99 0.20 0.00 -4.23 -1.26 -4.87 115.64 106.48 2yst s THR 57 Ca 0.36 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.83 2yst s THR 57 Cb -0.23 -2.98 -0.02 0.00 1.34 0.00 0.00 72.50 70.61 2yst s THR 57 CO 0.26 0.00 1.55 1.05 -0.54 0.00 0.00 174.62 176.94 2yst h GLU 58 N -1.32 0.64 0.00 3.99 4.11 -1.99 -1.62 114.58 118.39 2yst h GLU 58 Ca -0.46 -0.34 0.00 0.00 0.07 0.00 0.00 59.36 58.63 2yst h GLU 58 Cb 1.29 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2yst h GLU 58 CO 0.55 0.94 0.00 0.43 0.07 0.00 0.00 179.01 181.00 2yst n SER 59 N -4.02 0.00 -0.07 3.06 7.64 -1.26 -1.60 113.62 117.37 2yst n SER 59 Ca -0.02 -0.58 -0.09 0.00 1.01 0.00 0.00 58.87 59.19 2yst n SER 59 Cb 0.54 -0.09 -0.09 0.00 -1.01 0.00 0.00 64.21 63.56 2yst n SER 59 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2yst n VAL 60 N -1.09 0.90 0.04 0.44 0.31 -0.96 -4.30 118.33 113.68 2yst n VAL 60 Ca 0.17 -0.46 -0.06 0.00 -0.01 0.00 0.00 64.34 63.98 2yst n VAL 60 Cb 0.12 -0.85 -0.11 0.00 -0.91 0.00 0.00 33.84 32.10 2yst n VAL 60 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 2yst h ARG 61 N 0.00 0.00 0.00 5.55 0.11 -1.25 -2.94 114.38 115.85 2yst h ARG 61 Ca -0.35 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.71 2yst h ARG 61 Cb 1.69 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.77 2yst h ARG 61 CO -0.01 0.72 -0.05 0.07 0.10 0.00 0.00 179.97 180.80 2yst h ARG 62 N 0.00 0.00 -0.31 0.08 0.11 -1.54 -2.90 114.38 109.81 2yst h ARG 62 Ca -0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.97 2yst h ARG 62 Cb 1.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.86 2yst h ARG 62 CO 0.10 0.05 0.00 1.28 0.10 0.00 0.00 179.97 181.50 2yst n LEU 63 N -3.14 2.92 -3.71 0.08 4.77 -1.24 -3.50 117.00 113.17 2yst n LEU 63 Ca 0.02 -1.64 -0.13 0.00 -0.03 0.00 0.00 56.01 54.22 2yst n LEU 63 Cb 0.42 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.21 2yst n LEU 63 CO 0.31 0.67 0.14 -0.76 -1.33 0.00 0.00 177.39 176.42 2yst s LEU 64 N -1.10 0.26 -0.30 2.23 1.43 -1.09 -2.35 118.68 117.75 2yst s LEU 64 Ca 0.27 0.87 0.03 0.00 -1.03 0.00 0.00 54.13 54.27 2yst s LEU 64 Cb 0.15 1.59 0.08 0.00 0.03 0.00 0.00 46.19 48.03 2yst s LEU 64 CO 0.21 -0.19 -0.04 -0.60 0.23 0.00 0.00 176.35 175.96 2yst s ARG 65 N 0.11 1.93 0.22 1.70 3.52 0.76 -4.51 118.95 122.68 2yst s ARG 65 Ca -0.01 -1.57 -0.12 0.00 -0.13 0.00 0.00 55.73 53.90 2yst s ARG 65 Cb -0.03 -3.03 -0.07 0.00 -1.56 0.00 0.00 34.95 30.25 2yst s ARG 65 CO 0.01 -0.73 0.59 -1.17 -0.81 0.00 0.00 175.30 173.19 2yst s LEU 66 N 1.02 4.20 0.06 -0.88 2.96 -1.26 -3.18 118.68 121.60 2yst s LEU 66 Ca -0.01 1.05 0.05 0.00 -0.22 0.00 0.00 54.13 55.00 2yst s LEU 66 Cb -0.20 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 42.82 2yst s LEU 66 CO -0.06 -0.05 -0.07 -1.81 -1.32 0.00 0.00 176.35 173.04 2yst s ASP 67 N -2.15 4.57 -0.06 3.68 1.01 -0.38 -5.00 116.67 118.35 2yst s ASP 67 Ca 0.46 -0.26 0.07 0.00 0.71 0.00 0.00 52.55 53.53 2yst s ASP 67 Cb -0.12 -0.98 -0.10 0.00 1.01 0.00 0.00 42.92 42.72 2yst s ASP 67 CO 0.20 0.22 0.05 -1.84 0.21 0.00 0.00 175.17 174.01 2yst n GLU 68 N 1.03 2.32 0.16 8.23 0.00 -1.25 -3.16 120.64 127.97 2yst n GLU 68 Ca -0.14 -0.02 0.03 0.00 0.00 0.00 0.00 57.16 57.03 2yst n GLU 68 Cb 0.52 -1.20 0.23 0.00 0.00 0.00 0.00 31.44 30.99 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 1.06 0.00 3.84 1.03 -1.92 -3.33 112.91 113.60 2yst h THR 69 Ca -0.17 -1.88 -0.03 0.00 -0.01 0.00 0.00 66.41 64.31 2yst h THR 69 Cb 1.29 2.11 -0.00 0.00 -1.07 0.00 0.00 68.15 70.47 2yst h THR 69 CO 0.01 0.48 -1.10 -1.54 -0.01 0.00 0.00 175.52 173.36 2yst n SER 70 N -3.54 1.69 0.00 0.00 3.41 -1.26 -5.01 113.62 108.92 2yst n SER 70 Ca -0.00 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2yst n SER 70 Cb 0.59 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2yst n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yst n GLY 71 N 3.10 1.88 3.93 5.00 0.00 -1.19 -4.95 105.19 112.97 2yst n GLY 71 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 3.39 -0.03 1.61 0.52 -1.26 -0.67 118.94 120.51 2yst s TRP 72 Ca 0.00 -0.01 0.02 0.00 0.02 0.00 0.00 56.10 56.13 2yst s TRP 72 Cb 0.00 -1.56 0.01 0.00 -1.15 0.00 0.00 33.47 30.77 2yst s TRP 72 CO 0.00 0.47 -0.09 -1.17 0.02 0.00 0.00 176.95 176.19 2yst s LEU 73 N -3.78 1.73 0.26 2.99 2.96 -0.53 -1.24 118.68 121.06 2yst s LEU 73 Ca 0.34 -0.18 -0.17 0.00 -0.22 0.00 0.00 54.13 53.89 2yst s LEU 73 Cb -0.09 -0.55 0.01 0.00 0.50 0.00 0.00 46.19 46.06 2yst s LEU 73 CO 0.28 0.05 0.60 -0.94 -1.32 0.00 0.00 176.35 175.02 2yst s SER 74 N 0.30 -0.18 0.37 3.68 1.04 -1.19 -0.07 113.70 117.65 2yst s SER 74 Ca -0.05 -0.75 -0.25 0.00 0.48 0.00 0.00 55.95 55.38 2yst s SER 74 Cb -0.10 0.66 -0.09 0.00 0.10 0.00 0.00 66.02 66.59 2yst s SER 74 CO 0.01 -1.24 1.02 -0.69 0.98 0.00 0.00 173.24 173.32 2yst s VAL 75 N -3.96 3.86 -0.15 5.02 1.01 0.73 -0.17 120.40 126.74 2yst s VAL 75 Ca 0.16 1.49 0.04 0.00 0.00 0.00 0.00 61.98 63.67 2yst s VAL 75 Cb -0.03 -3.80 -0.12 0.00 0.00 0.00 0.00 36.38 32.43 2yst s VAL 75 CO 0.07 0.07 -0.09 -0.11 0.00 0.00 0.00 175.10 175.05 2yst n LEU 76 N 0.22 2.14 -4.06 3.92 7.94 -0.99 0.27 117.00 126.44 2yst n LEU 76 Ca 0.04 -0.06 -0.08 0.00 -1.11 0.00 0.00 56.01 54.80 2yst n LEU 76 Cb 0.49 -0.30 -0.10 0.00 0.53 0.00 0.00 43.42 44.04 2yst n LEU 76 CO 0.45 0.63 -0.34 -1.00 -1.11 0.00 0.00 177.39 176.02 2yst s HIS 77 N -2.31 0.45 0.60 1.96 3.76 -1.23 -4.55 115.29 113.97 2yst s HIS 77 Ca -0.17 -0.93 -0.18 0.00 -0.15 0.00 0.00 55.06 53.63 2yst s HIS 77 Cb 0.05 -0.33 -0.07 0.00 1.11 0.00 0.00 32.58 33.33 2yst s HIS 77 CO 0.40 -0.35 0.56 0.54 -0.85 0.00 0.00 174.74 175.04 2yst n ARG 78 N 0.39 0.51 -4.21 1.40 1.74 -1.26 -4.70 116.66 110.52 2yst n ARG 78 Ca -0.16 0.20 -0.18 0.00 -0.77 0.00 0.00 57.85 56.94 2yst n ARG 78 Cb 0.60 -1.77 -0.11 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.73 1.23 -0.08 0.55 1.01 -1.23 -4.93 121.20 116.02 2yst s ILE 79 Ca 0.69 -1.55 0.01 0.00 0.00 0.00 0.00 60.65 59.79 2yst s ILE 79 Cb -0.42 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 40.72 2yst s ILE 79 CO 0.54 -0.35 -0.08 -0.62 0.00 0.00 0.00 174.94 174.44 2yst s ASP 80 N -2.17 1.75 0.51 3.58 2.15 -1.26 -4.23 116.67 117.00 2yst s ASP 80 Ca 0.04 -0.24 0.17 0.00 0.43 0.00 0.00 52.55 52.95 2yst s ASP 80 Cb -0.07 -0.72 1.24 0.00 -0.30 0.00 0.00 42.92 43.08 2yst s ASP 80 CO 0.02 -0.07 2.12 -0.09 -0.17 0.00 0.00 175.17 176.98 2yst h ARG 81 N 7.64 0.00 0.81 4.34 1.12 -1.84 -2.59 114.38 123.86 2yst h ARG 81 Ca -0.31 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.53 2yst h ARG 81 Cb 1.15 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.12 2yst h ARG 81 CO 0.42 0.05 -0.41 1.49 -3.11 0.00 0.00 179.97 178.41 2yst h GLU 82 N 0.00 -1.08 -0.70 0.20 4.81 -1.99 -2.81 114.58 113.02 2yst h GLU 82 Ca -0.00 0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.41 2yst h GLU 82 Cb 0.08 0.24 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 2yst h GLU 82 CO 0.01 -0.72 0.46 1.05 -0.73 0.00 0.00 179.01 179.08 2yst h GLU 83 N -1.12 0.51 -3.23 1.92 4.11 -1.97 -3.41 114.58 111.40 2yst h GLU 83 Ca -0.11 -0.03 -0.22 0.00 0.07 0.00 0.00 59.36 59.06 2yst h GLU 83 Cb 0.86 -0.11 -0.30 0.00 0.50 0.00 0.00 28.75 29.70 2yst h GLU 83 CO 0.17 0.34 -0.57 0.14 0.07 0.00 0.00 179.01 179.16 2yst s VAL 84 N -5.49 -0.04 -0.11 -1.06 -7.23 -0.99 -5.02 120.40 100.45 2yst s VAL 84 Ca -0.08 0.14 0.22 0.00 -1.81 0.00 0.00 61.98 60.45 2yst s VAL 84 Cb 0.20 -0.26 -0.31 0.00 0.56 0.00 0.00 36.38 36.57 2yst s VAL 84 CO 0.76 0.06 0.55 -0.46 -0.31 0.00 0.00 175.10 175.70 2yst n ASN 85 N 3.99 0.13 -3.70 4.85 0.23 -1.15 -3.86 115.26 115.74 2yst n ASN 85 Ca -0.24 -0.04 -0.12 0.00 -0.53 0.00 0.00 54.58 53.65 2yst n ASN 85 Cb 0.53 1.82 -0.09 0.00 -2.08 0.00 0.00 39.78 39.95 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 -3.47 0.54 -0.18 -3.83 0.74 -1.26 -3.50 119.66 108.70 2yst s GLN 86 Ca -0.06 0.75 -0.01 0.00 0.05 0.00 0.00 55.36 56.09 2yst s GLN 86 Cb 0.14 0.19 -0.00 0.00 1.10 0.00 0.00 33.01 34.44 2yst s GLN 86 CO 0.90 -0.10 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.91 2yst s LEU 87 N 0.65 2.57 -0.04 3.68 1.43 -0.99 -5.02 118.68 120.96 2yst s LEU 87 Ca -0.03 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 2yst s LEU 87 Cb -0.05 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.56 2yst s LEU 87 CO -0.04 0.04 -0.15 -0.13 0.23 0.00 0.00 176.35 176.30 2yst s ARG 88 N 1.09 1.57 0.36 1.70 0.52 -1.26 -0.88 118.95 122.05 2yst s ARG 88 Ca 0.00 -0.53 -0.11 0.00 -0.52 0.00 0.00 55.73 54.58 2yst s ARG 88 Cb -0.14 -1.38 0.04 0.00 0.52 0.00 0.00 34.95 33.99 2yst s ARG 88 CO -0.03 0.21 0.67 1.97 0.02 0.00 0.00 175.30 178.13 2yst n PHE 89 N 3.20 -2.07 -4.18 -0.53 -1.74 -1.17 -4.81 117.46 106.17 2yst n PHE 89 Ca -0.18 -1.88 -0.17 0.00 -0.56 0.00 0.00 57.45 54.66 2yst n PHE 89 Cb 0.53 0.79 -0.12 0.00 1.52 0.00 0.00 39.48 42.20 2yst n PHE 89 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2yst s THR 90 N -2.32 0.95 -0.04 1.97 2.01 -1.26 -0.88 115.64 116.06 2yst s THR 90 Ca 0.18 -1.15 0.05 0.00 0.31 0.00 0.00 61.69 61.08 2yst s THR 90 Cb -0.04 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 2yst s THR 90 CO 0.13 -0.20 -0.19 0.68 -0.69 0.00 0.00 174.62 174.34 2yst s VAL 91 N -1.17 1.61 0.11 3.82 -7.23 -0.79 -0.49 120.40 116.24 2yst s VAL 91 Ca -0.03 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 2yst s VAL 91 Cb -0.09 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 2yst s VAL 91 CO 0.02 0.46 0.26 -0.04 -0.31 0.00 0.00 175.10 175.48 2yst s MET 92 N -0.06 3.46 -0.33 4.82 -1.94 0.11 -1.58 119.30 123.79 2yst s MET 92 Ca -0.03 -0.45 -0.01 0.00 -1.71 0.00 0.00 55.69 53.50 2yst s MET 92 Cb -0.12 -2.98 0.11 0.00 2.01 0.00 0.00 34.83 33.85 2yst s MET 92 CO 0.02 0.55 0.14 0.00 -0.01 0.00 0.00 175.02 175.72 2yst s ALA 93 N -1.62 1.46 0.10 3.03 0.00 -0.81 -1.07 121.76 122.84 2yst s ALA 93 Ca 0.36 -1.76 0.08 0.00 0.00 0.00 0.00 51.96 50.63 2yst s ALA 93 Cb -0.12 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 2yst s ALA 93 CO 0.28 -1.77 -0.15 -0.98 0.00 0.00 0.00 175.76 173.14 2yst s ARG 94 N 1.43 1.96 0.37 0.00 1.70 -1.05 -3.01 118.95 120.34 2yst s ARG 94 Ca 0.12 -1.09 0.03 0.00 -0.47 0.00 0.00 55.73 54.31 2yst s ARG 94 Cb -0.19 -2.21 0.03 0.00 -0.57 0.00 0.00 34.95 32.02 2yst s ARG 94 CO -0.20 0.50 0.24 -0.40 -1.08 0.00 0.00 175.30 174.36 2yst n ASP 95 N 0.83 2.26 -1.47 -2.89 5.75 -1.26 -0.04 116.55 119.72 2yst n ASP 95 Ca -0.15 -2.29 -0.04 0.00 -0.01 0.00 0.00 54.79 52.30 2yst n ASP 95 Cb 0.52 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.63 2yst n ASP 95 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2yst n ARG 96 N -1.31 1.18 -3.98 0.11 -4.01 -1.26 -4.79 116.66 102.59 2yst n ARG 96 Ca -0.03 -0.36 -0.27 0.00 -1.04 0.00 0.00 57.85 56.15 2yst n ARG 96 Cb 0.42 -1.14 -0.01 0.00 -3.04 0.00 0.00 32.46 28.69 2yst n ARG 96 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 2yst s GLY 97 N 1.36 2.46 -0.20 2.89 0.00 -1.26 -5.07 107.32 107.50 2yst s GLY 97 Ca 0.07 -1.05 -0.08 0.00 0.00 0.00 0.00 44.72 43.67 2yst s GLY 97 CO 0.00 -1.99 0.44 -0.86 0.00 0.00 0.00 173.10 170.69 2yst s GLN 98 N -4.28 0.35 0.31 2.90 -2.07 -1.26 -2.65 119.66 112.97 2yst s GLN 98 Ca 0.29 1.04 -0.29 0.00 -1.82 0.00 0.00 55.36 54.58 2yst s GLN 98 Cb -0.02 0.32 -0.10 0.00 -1.09 0.00 0.00 33.01 32.12 2yst s GLN 98 CO 0.19 -0.24 1.23 -1.25 -1.32 0.00 0.00 175.29 173.90 2yst s PRO 99 N 2.47 4.46 -0.75 9.60 0.04 -1.26 -5.07 135.00 144.50 2yst s PRO 99 Ca -0.03 2.06 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 2yst s PRO 99 Cb -0.11 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 2yst s PRO 99 CO -0.13 -0.04 1.91 -1.25 0.04 0.00 0.00 177.00 177.53 2yst s PRO 100 N -1.64 2.59 -0.01 0.56 0.04 -1.08 -4.93 135.00 130.52 2yst s PRO 100 Ca 0.47 0.20 -0.31 0.00 0.04 0.00 0.00 61.00 61.40 2yst s PRO 100 Cb -0.37 -4.70 -0.10 0.00 0.04 0.00 0.00 34.50 29.37 2yst s PRO 100 CO 0.48 -3.04 1.97 1.63 0.04 0.00 0.00 177.00 178.08 2yst n LYS 101 N 9.03 2.66 -3.94 4.56 4.76 -1.26 -4.81 118.16 129.17 2yst n LYS 101 Ca 0.30 0.97 -0.35 0.00 -2.87 0.00 0.00 58.31 56.36 2yst n LYS 101 Cb 0.50 -2.93 -0.14 0.00 -1.84 0.00 0.00 35.03 30.62 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 4.55 3.15 -0.17 -0.18 -4.23 -1.26 -3.91 115.64 113.59 2yst s THR 102 Ca 0.91 -0.65 -0.08 0.00 -1.18 0.00 0.00 61.69 60.69 2yst s THR 102 Cb -0.50 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.84 2yst s THR 102 CO 0.44 0.38 0.09 -1.81 -0.54 0.00 0.00 174.62 173.19 2yst s ASP 103 N 1.43 5.92 -0.05 3.99 1.11 -1.17 -4.79 116.67 123.12 2yst s ASP 103 Ca 0.05 0.20 -0.12 0.00 0.18 0.00 0.00 52.55 52.85 2yst s ASP 103 Cb -0.15 -1.99 -0.05 0.00 1.07 0.00 0.00 42.92 41.80 2yst s ASP 103 CO -0.04 0.23 0.31 -0.54 1.18 0.00 0.00 175.17 176.30 2yst s LYS 104 N 0.05 3.75 -0.08 8.23 1.02 -1.26 -1.93 119.74 129.52 2yst s LYS 104 Ca 0.07 0.21 -0.02 0.00 0.02 0.00 0.00 55.97 56.26 2yst s LYS 104 Cb -0.12 -3.21 0.03 0.00 -0.52 0.00 0.00 37.83 34.01 2yst s LYS 104 CO 0.00 0.71 0.04 0.00 -0.92 0.00 0.00 175.35 175.18 2yst s ALA 105 N -1.03 0.51 0.23 5.17 0.00 -0.62 -4.92 121.76 121.11 2yst s ALA 105 Ca 0.20 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 2yst s ALA 105 Cb -0.15 -0.76 -0.09 0.00 0.00 0.00 0.00 23.12 22.12 2yst s ALA 105 CO 0.10 -0.60 1.21 0.99 0.00 0.00 0.00 175.76 177.46 2yst s THR 106 N 2.06 3.36 -0.28 0.00 2.01 -1.16 -1.89 115.64 119.75 2yst s THR 106 Ca 0.04 1.22 0.01 0.00 0.31 0.00 0.00 61.69 63.27 2yst s THR 106 Cb -0.13 -3.77 0.08 0.00 0.01 0.00 0.00 72.50 68.68 2yst s THR 106 CO -0.05 0.23 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.42 2yst s VAL 107 N -0.45 1.62 -0.45 3.82 1.01 -0.06 0.17 120.40 126.06 2yst s VAL 107 Ca 0.51 -1.55 -0.19 0.00 0.00 0.00 0.00 61.98 60.75 2yst s VAL 107 Cb -0.34 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.06 2yst s VAL 107 CO 0.40 -0.33 0.58 -0.69 0.00 0.00 0.00 175.10 175.07 2yst s VAL 108 N 1.30 4.91 -0.44 2.92 1.01 -0.49 -3.03 120.40 126.58 2yst s VAL 108 Ca 0.01 -0.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 2yst s VAL 108 Cb -0.19 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.06 2yst s VAL 108 CO -0.10 -0.60 0.34 -0.76 0.00 0.00 0.00 175.10 173.98 2yst s LEU 109 N 2.58 5.34 -0.45 3.92 1.43 -0.06 -2.54 118.68 128.90 2yst s LEU 109 Ca 0.18 -1.11 -0.29 0.00 -1.03 0.00 0.00 54.13 51.88 2yst s LEU 109 Cb -0.16 -2.16 0.03 0.00 0.03 0.00 0.00 46.19 43.92 2yst s LEU 109 CO 0.16 -0.54 1.15 0.20 0.23 0.00 0.00 176.35 177.55 2yst s ASN 110 N 2.10 6.66 -0.41 2.29 0.01 -0.96 -2.36 114.94 122.26 2yst s ASN 110 Ca 0.04 0.60 -0.27 0.00 -0.71 0.00 0.00 52.86 52.52 2yst s ASN 110 Cb -0.21 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 38.86 2yst s ASN 110 CO 0.08 -1.21 2.00 -0.63 -1.51 0.00 0.00 177.10 175.83 2yst s ILE 111 N 4.41 3.28 0.54 0.60 -1.09 -1.23 -2.39 121.20 125.32 2yst s ILE 111 Ca 0.49 0.24 -0.06 0.00 -2.23 0.00 0.00 60.65 59.09 2yst s ILE 111 Cb -0.09 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.29 2yst s ILE 111 CO 0.29 -0.39 0.85 -0.54 -1.23 0.00 0.00 174.94 173.92 2yst s LYS 112 N 6.62 3.26 -0.56 2.79 -0.14 -0.06 -4.83 119.74 126.82 2yst s LYS 112 Ca 0.84 0.12 -0.16 0.00 -1.36 0.00 0.00 55.97 55.40 2yst s LYS 112 Cb -0.21 -2.32 0.13 0.00 -1.68 0.00 0.00 37.83 33.75 2yst s LYS 112 CO 0.29 -0.44 0.55 0.16 -0.76 0.00 0.00 175.35 175.15 2yst s ASP 113 N -4.20 6.22 -0.19 2.83 -4.77 -1.26 -1.90 116.67 113.40 2yst s ASP 113 Ca 0.51 -1.78 -0.16 0.00 -3.30 0.00 0.00 52.55 47.81 2yst s ASP 113 Cb -0.10 -2.23 -0.20 0.00 -1.09 0.00 0.00 42.92 39.30 2yst s ASP 113 CO 0.45 -0.89 0.18 1.21 0.70 0.00 0.00 175.17 176.83 2yst n GLU 114 N 5.36 0.63 -0.09 2.11 4.07 -1.26 -4.38 120.64 127.08 2yst n GLU 114 Ca -0.12 0.44 -0.06 0.00 -0.06 0.00 0.00 57.16 57.36 2yst n GLU 114 Cb 0.41 -1.70 0.01 0.00 -0.06 0.00 0.00 31.44 30.09 2yst n GLU 114 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 2yst h ASN 115 N -0.67 -0.05 -2.01 4.31 -0.73 -1.94 -3.40 115.58 111.10 2yst h ASN 115 Ca -0.42 0.06 -0.58 0.00 1.87 0.00 0.00 56.30 57.23 2yst h ASN 115 Cb 1.56 0.09 0.00 0.00 0.27 0.00 0.00 38.32 40.25 2yst h ASN 115 CO -0.15 0.01 1.44 -0.67 -0.37 0.00 0.00 177.43 177.70 2yst n ASP 116 N -5.13 3.38 -4.55 1.15 -0.08 -1.26 -4.92 116.55 105.14 2yst n ASP 116 Ca 0.00 0.34 -0.43 0.00 -1.51 0.00 0.00 54.79 53.20 2yst n ASP 116 Cb 0.15 -1.54 -0.04 0.00 2.34 0.00 0.00 41.12 42.03 2yst n ASP 116 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2yst s ASN 117 N 7.56 6.46 0.26 1.67 3.84 -1.26 -5.00 114.94 128.47 2yst s ASN 117 Ca 0.99 0.02 -0.30 0.00 0.21 0.00 0.00 52.86 53.78 2yst s ASN 117 Cb -0.38 -2.43 -0.10 0.00 -0.55 0.00 0.00 41.25 37.80 2yst s ASN 117 CO 0.37 -1.02 1.35 0.54 -2.79 0.00 0.00 177.10 175.55 2yst s VAL 118 N 3.62 2.87 -2.00 -5.21 0.11 -1.26 -5.23 120.40 113.30 2yst s VAL 118 Ca 0.34 0.77 0.16 0.00 -2.93 0.00 0.00 61.98 60.32 2yst s VAL 118 Cb -0.11 -3.49 0.45 0.00 -1.53 0.00 0.00 36.38 31.70 2yst s VAL 118 CO 0.25 0.14 1.35 -0.81 -3.33 0.00 0.00 175.10 172.70