#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yy1 s ALA 15 N 0.00 2.51 0.51 1.69 0.00 -1.26 -4.50 121.76 120.72 2yy1 s ALA 15 Ca 0.00 0.81 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 2yy1 s ALA 15 Cb 0.00 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 2yy1 s ALA 15 CO 0.00 -1.17 1.02 -2.14 0.00 0.00 0.00 175.76 173.47 2yy1 s PRO 16 N -3.59 3.78 -0.29 0.00 0.02 -1.26 -4.83 135.00 128.82 2yy1 s PRO 16 Ca 0.73 1.18 -0.21 0.00 0.02 0.00 0.00 61.00 62.72 2yy1 s PRO 16 Cb -0.26 -2.10 -0.01 0.00 0.02 0.00 0.00 34.50 32.15 2yy1 s PRO 16 CO 0.35 -0.43 0.65 0.71 -0.33 0.00 0.00 177.00 177.95 2yy1 s TYR 17 N -2.30 3.23 -0.18 6.54 1.51 0.26 -4.94 117.35 121.47 2yy1 s TYR 17 Ca 0.63 0.66 -0.08 0.00 -1.01 0.00 0.00 57.07 57.27 2yy1 s TYR 17 Cb -0.13 -2.98 -0.04 0.00 -0.11 0.00 0.00 41.96 38.69 2yy1 s TYR 17 CO 0.26 -0.45 0.10 -0.51 -1.11 0.00 0.00 175.55 173.84 2yy1 s LEU 18 N 2.63 4.05 -1.47 -1.29 1.43 -1.26 -1.31 118.68 121.46 2yy1 s LEU 18 Ca 0.26 0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 2yy1 s LEU 18 Cb -0.15 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.07 2yy1 s LEU 18 CO 0.11 0.21 0.45 -1.20 0.23 0.00 0.00 176.35 176.16 2yy1 n SER 19 N 3.28 -0.77 -4.77 2.29 7.64 0.39 -4.91 113.62 116.76 2yy1 n SER 19 Ca -0.17 -1.03 -0.37 0.00 1.01 0.00 0.00 58.87 58.32 2yy1 n SER 19 Cb 0.52 -2.90 -0.01 0.00 -1.01 0.00 0.00 64.21 60.81 2yy1 n SER 19 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2yy1 s PRO 20 N -6.68 3.83 0.59 1.43 0.02 -1.26 -5.00 135.00 127.92 2yy1 s PRO 20 Ca 0.14 1.75 -0.12 0.00 0.02 0.00 0.00 61.00 62.79 2yy1 s PRO 20 Cb -0.07 -2.44 -0.05 0.00 0.02 0.00 0.00 34.50 31.96 2yy1 s PRO 20 CO 0.90 -0.49 1.01 0.00 -0.33 0.00 0.00 177.00 178.09 2yy1 s ALA 21 N -1.55 3.11 -0.04 -1.55 0.00 -1.26 -4.32 121.76 116.15 2yy1 s ALA 21 Ca 0.62 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.60 2yy1 s ALA 21 Cb -0.28 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 2yy1 s ALA 21 CO 0.34 -0.57 -0.25 0.14 0.00 0.00 0.00 175.76 175.41 2yy1 s VAL 22 N -3.04 2.04 0.84 0.00 -7.23 -1.26 -3.68 120.40 108.07 2yy1 s VAL 22 Ca 0.55 -1.08 -0.12 0.00 -1.81 0.00 0.00 61.98 59.52 2yy1 s VAL 22 Cb -0.11 -1.71 0.10 0.00 0.56 0.00 0.00 36.38 35.22 2yy1 s VAL 22 CO 0.49 0.57 1.17 -2.16 -0.31 0.00 0.00 175.10 174.86 2yy1 s PRO 23 N -0.38 1.49 0.01 4.82 0.04 -1.26 -5.02 135.00 134.70 2yy1 s PRO 23 Ca 0.03 1.63 -0.03 0.00 0.04 0.00 0.00 61.00 62.67 2yy1 s PRO 23 Cb -0.12 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 2yy1 s PRO 23 CO 0.01 -2.30 0.04 0.12 0.04 0.00 0.00 177.00 174.91 2yy1 s PHE 24 N -2.39 0.16 -0.11 0.56 5.36 0.03 -4.99 117.98 116.60 2yy1 s PHE 24 Ca 0.70 -0.34 -0.05 0.00 -0.96 0.00 0.00 56.93 56.28 2yy1 s PHE 24 Cb -0.25 -0.12 0.05 0.00 -0.34 0.00 0.00 43.02 42.35 2yy1 s PHE 24 CO 0.53 -0.22 0.24 -1.12 -1.46 0.00 0.00 175.22 173.20 2yy1 s SER 25 N -1.35 -0.12 -0.05 6.13 0.01 -1.26 -1.02 113.70 116.05 2yy1 s SER 25 Ca -0.15 0.52 -0.10 0.00 1.31 0.00 0.00 55.95 57.54 2yy1 s SER 25 Cb -0.09 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.61 2yy1 s SER 25 CO 0.00 -0.18 0.23 -0.83 0.41 0.00 0.00 173.24 172.87 2yy1 s GLY 26 N 1.50 -0.11 0.34 3.44 0.00 -0.21 -5.00 107.32 107.28 2yy1 s GLY 26 Ca -0.07 0.36 -0.27 0.00 0.00 0.00 0.00 44.72 44.74 2yy1 s GLY 26 CO -0.08 0.23 1.18 -1.59 0.00 0.00 0.00 173.10 172.84 2yy1 s THR 27 N -0.65 3.15 -0.45 0.90 2.01 -1.26 -1.26 115.64 118.07 2yy1 s THR 27 Ca -0.07 1.07 -0.12 0.00 0.31 0.00 0.00 61.69 62.88 2yy1 s THR 27 Cb -0.04 -3.65 0.08 0.00 0.01 0.00 0.00 72.50 68.90 2yy1 s THR 27 CO 0.02 0.19 0.34 -0.63 -0.69 0.00 0.00 174.62 173.84 2yy1 s ILE 28 N -1.27 4.66 0.13 1.82 1.01 0.13 -4.87 121.20 122.81 2yy1 s ILE 28 Ca 0.51 -1.32 -0.33 0.00 0.00 0.00 0.00 60.65 59.51 2yy1 s ILE 28 Cb -0.33 -3.86 -0.12 0.00 0.01 0.00 0.00 42.46 38.16 2yy1 s ILE 28 CO 0.43 -0.59 1.73 0.00 0.00 0.00 0.00 174.94 176.51 2yy1 n GLN 29 N 5.04 2.50 0.00 2.79 6.02 -1.26 -1.10 117.38 131.37 2yy1 n GLN 29 Ca -0.11 0.91 0.00 0.00 -0.01 0.00 0.00 57.00 57.79 2yy1 n GLN 29 Cb 0.43 -2.74 0.00 0.00 1.02 0.00 0.00 30.24 28.95 2yy1 n GLN 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yy1 n GLY 30 N 3.92 2.22 0.18 1.08 0.00 -1.26 -4.86 105.19 106.46 2yy1 n GLY 30 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 2yy1 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yy1 n GLY 31 N -2.00 -2.12 3.76 -0.02 0.00 -0.26 -4.82 105.19 99.72 2yy1 n GLY 31 Ca 0.00 -1.44 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 2yy1 n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yy1 s LEU 32 N -5.17 3.97 0.03 0.99 1.43 -0.51 -4.99 118.68 114.43 2yy1 s LEU 32 Ca 0.00 2.66 -0.04 0.00 -1.03 0.00 0.00 54.13 55.72 2yy1 s LEU 32 Cb 0.00 -4.18 -0.01 0.00 0.03 0.00 0.00 46.19 42.03 2yy1 s LEU 32 CO 0.00 -1.28 0.07 0.00 0.23 0.00 0.00 176.35 175.38 2yy1 s GLN 33 N -2.72 0.52 0.19 1.70 -2.07 -1.26 -4.45 119.66 111.57 2yy1 s GLN 33 Ca 0.66 -0.70 -0.33 0.00 -1.82 0.00 0.00 55.36 53.17 2yy1 s GLN 33 Cb -0.38 0.20 -0.13 0.00 -1.09 0.00 0.00 33.01 31.62 2yy1 s GLN 33 CO 0.46 -0.12 1.65 -3.47 -1.32 0.00 0.00 175.29 172.49 2yy1 n ASP 34 N 0.98 3.55 0.00 12.60 4.64 -1.26 -1.57 116.55 135.50 2yy1 n ASP 34 Ca -0.20 1.07 0.00 0.00 -1.38 0.00 0.00 54.79 54.28 2yy1 n ASP 34 Cb 0.58 -1.50 0.00 0.00 -1.04 0.00 0.00 41.12 39.15 2yy1 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2yy1 n GLY 35 N 3.67 1.55 3.73 0.27 0.00 0.12 -5.00 105.19 109.53 2yy1 n GLY 35 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2yy1 n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yy1 s LEU 36 N 0.00 4.40 -0.19 0.99 2.96 -0.61 -4.77 118.68 121.46 2yy1 s LEU 36 Ca 0.00 2.33 0.01 0.00 -0.22 0.00 0.00 54.13 56.25 2yy1 s LEU 36 Cb 0.00 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 43.11 2yy1 s LEU 36 CO 0.00 -0.54 -0.18 -1.58 -1.32 0.00 0.00 176.35 172.73 2yy1 s GLN 37 N 0.29 2.93 -0.21 1.98 0.74 -1.26 -0.40 119.66 123.72 2yy1 s GLN 37 Ca 0.58 -0.88 -0.08 0.00 0.05 0.00 0.00 55.36 55.04 2yy1 s GLN 37 Cb -0.36 -2.63 -0.04 0.00 1.10 0.00 0.00 33.01 31.08 2yy1 s GLN 37 CO 0.35 -0.25 0.08 0.42 -0.55 0.00 0.00 175.29 175.34 2yy1 s ILE 38 N 1.28 4.78 -0.18 -2.34 -1.09 0.73 -4.27 121.20 120.11 2yy1 s ILE 38 Ca 0.03 -0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.39 2yy1 s ILE 38 Cb -0.14 -3.19 -0.02 0.00 -1.58 0.00 0.00 42.46 37.53 2yy1 s ILE 38 CO -0.12 0.41 -0.03 -0.89 -1.23 0.00 0.00 174.94 173.08 2yy1 s THR 39 N 0.82 3.82 -0.27 2.92 2.01 -0.32 -0.24 115.64 124.38 2yy1 s THR 39 Ca 0.04 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 2yy1 s THR 39 Cb -0.13 -2.70 0.04 0.00 0.01 0.00 0.00 72.50 69.72 2yy1 s THR 39 CO 0.02 0.47 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.68 2yy1 s VAL 40 N 0.68 2.79 -0.22 3.82 1.01 0.44 -0.94 120.40 127.98 2yy1 s VAL 40 Ca -0.02 -1.26 -0.07 0.00 0.00 0.00 0.00 61.98 60.63 2yy1 s VAL 40 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2yy1 s VAL 40 CO 0.02 0.05 0.05 0.21 0.00 0.00 0.00 175.10 175.43 2yy1 s ASN 41 N 1.26 5.14 0.28 3.32 2.47 0.13 -0.68 114.94 126.85 2yy1 s ASN 41 Ca -0.03 -0.15 -0.09 0.00 0.42 0.00 0.00 52.86 53.01 2yy1 s ASN 41 Cb -0.18 -1.90 0.04 0.00 -1.45 0.00 0.00 41.25 37.75 2yy1 s ASN 41 CO -0.03 0.03 0.52 0.61 -3.72 0.00 0.00 177.10 174.51 2yy1 n GLY 42 N 4.48 1.49 2.78 1.21 0.00 -1.04 -0.42 105.19 113.68 2yy1 n GLY 42 Ca -0.16 -1.26 -0.15 0.00 0.00 0.00 0.00 46.02 44.44 2yy1 n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yy1 s THR 43 N -2.43 -0.00 -0.07 2.61 2.01 0.92 -0.90 115.64 117.77 2yy1 s THR 43 Ca 0.13 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 2yy1 s THR 43 Cb -0.03 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 2yy1 s THR 43 CO 0.10 0.10 1.20 -0.69 -0.69 0.00 0.00 174.62 174.64 2yy1 s VAL 44 N 1.06 4.28 0.55 3.82 1.01 -1.26 -0.56 120.40 129.30 2yy1 s VAL 44 Ca -0.09 1.60 -0.05 0.00 0.00 0.00 0.00 61.98 63.44 2yy1 s VAL 44 Cb -0.13 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 2yy1 s VAL 44 CO -0.03 -0.02 0.85 -0.76 0.00 0.00 0.00 175.10 175.15 2yy1 s LEU 45 N 2.37 3.36 -0.16 3.92 1.43 -1.18 -0.73 118.68 127.69 2yy1 s LEU 45 Ca 0.55 0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 54.36 2yy1 s LEU 45 Cb -0.24 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.37 2yy1 s LEU 45 CO 0.21 -0.92 -0.08 -0.44 0.23 0.00 0.00 176.35 175.35 2yy1 s SER 46 N -4.25 4.36 0.00 2.29 0.01 -1.26 -4.54 113.70 110.31 2yy1 s SER 46 Ca 0.52 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.51 2yy1 s SER 46 Cb -0.10 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.43 2yy1 s SER 46 CO 0.44 0.13 0.00 -1.20 0.41 0.00 0.00 173.24 173.03 2yy1 n SER 47 N 3.78 -0.14 0.00 2.44 7.64 -1.26 -5.02 113.62 121.06 2yy1 n SER 47 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2yy1 n SER 47 Cb 0.52 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2yy1 n SER 47 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yy1 n SER 48 N 0.00 0.00 0.00 6.43 2.88 -1.26 -5.11 113.62 116.55 2yy1 n SER 48 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2yy1 n SER 48 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2yy1 n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yy1 n GLY 49 N 4.09 4.72 0.00 0.46 0.00 -1.26 -5.01 105.19 108.19 2yy1 n GLY 49 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 2yy1 n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yy1 n THR 50 N 0.00 0.00 -3.62 2.61 -2.24 -1.26 -4.88 114.28 104.89 2yy1 n THR 50 Ca 0.00 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.31 2yy1 n THR 50 Cb 0.00 1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 2yy1 n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yy1 s ARG 51 N -0.20 1.08 0.16 -0.78 1.70 -1.26 -0.21 118.95 119.44 2yy1 s ARG 51 Ca 0.00 -0.70 -0.07 0.00 -0.47 0.00 0.00 55.73 54.50 2yy1 s ARG 51 Cb 0.00 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.84 2yy1 s ARG 51 CO 0.00 -0.42 0.23 -0.59 -1.08 0.00 0.00 175.30 173.43 2yy1 s PHE 52 N -3.80 0.55 0.06 5.89 -0.12 -1.11 -0.57 117.98 118.88 2yy1 s PHE 52 Ca 0.03 -0.91 -0.15 0.00 -0.05 0.00 0.00 56.93 55.85 2yy1 s PHE 52 Cb 0.02 -0.18 0.03 0.00 -0.63 0.00 0.00 43.02 42.26 2yy1 s PHE 52 CO -0.12 -0.68 0.35 0.00 -0.05 0.00 0.00 175.22 174.72 2yy1 s ALA 53 N -4.00 -0.80 -0.10 1.99 0.00 0.04 -2.74 121.76 116.16 2yy1 s ALA 53 Ca 0.20 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.26 2yy1 s ALA 53 Cb 0.04 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.55 2yy1 s ALA 53 CO 0.01 -0.46 -0.20 0.08 0.00 0.00 0.00 175.76 175.20 2yy1 s VAL 54 N -2.75 1.75 -0.07 0.00 1.01 -0.34 -2.09 120.40 117.90 2yy1 s VAL 54 Ca -0.04 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.16 2yy1 s VAL 54 Cb -0.00 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2yy1 s VAL 54 CO -0.04 0.49 -0.18 0.20 0.00 0.00 0.00 175.10 175.56 2yy1 s ASN 55 N 0.58 2.39 -0.46 3.32 0.01 0.11 -1.21 114.94 119.69 2yy1 s ASN 55 Ca -0.15 -0.42 -0.13 0.00 -0.71 0.00 0.00 52.86 51.46 2yy1 s ASN 55 Cb -0.17 -1.00 0.08 0.00 0.41 0.00 0.00 41.25 40.57 2yy1 s ASN 55 CO 0.05 0.11 0.36 -0.36 -1.51 0.00 0.00 177.10 175.75 2yy1 s PHE 56 N 0.39 3.29 0.39 2.20 0.08 -0.14 -1.07 117.98 123.12 2yy1 s PHE 56 Ca -0.14 -1.22 0.03 0.00 0.12 0.00 0.00 56.93 55.73 2yy1 s PHE 56 Cb -0.16 -3.17 -0.04 0.00 -0.57 0.00 0.00 43.02 39.09 2yy1 s PHE 56 CO 0.05 -0.85 0.09 1.14 -0.10 0.00 0.00 175.22 175.56 2yy1 s GLN 57 N 1.55 1.87 -0.31 0.44 -2.07 0.52 -1.03 119.66 120.63 2yy1 s GLN 57 Ca 0.04 -2.12 -0.08 0.00 -1.82 0.00 0.00 55.36 51.38 2yy1 s GLN 57 Cb -0.24 -0.80 0.01 0.00 -1.09 0.00 0.00 33.01 30.88 2yy1 s GLN 57 CO 0.04 -0.37 0.12 0.99 -1.32 0.00 0.00 175.29 174.75 2yy1 s THR 58 N -3.20 4.22 0.01 3.63 2.01 -0.86 -1.11 115.64 120.34 2yy1 s THR 58 Ca 0.26 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.61 2yy1 s THR 58 Cb 0.04 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2yy1 s THR 58 CO 0.14 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 2yy1 n GLY 59 N 4.91 -1.49 0.13 4.40 0.00 -1.26 -4.58 105.19 107.30 2yy1 n GLY 59 Ca -0.14 -1.52 0.12 0.00 0.00 0.00 0.00 46.02 44.48 2yy1 n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2yy1 n PHE 60 N -1.54 0.00 0.07 1.61 3.01 -1.26 -4.36 117.46 114.99 2yy1 n PHE 60 Ca -0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 2yy1 n PHE 60 Cb 0.02 -0.12 0.52 0.00 -0.01 0.00 0.00 39.48 39.89 2yy1 n PHE 60 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2yy1 h SER 61 N 0.63 0.28 -0.17 4.37 4.64 -1.98 -3.46 113.55 117.87 2yy1 h SER 61 Ca 0.00 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 2yy1 h SER 61 Cb 0.54 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 2yy1 h SER 61 CO 0.00 0.19 -0.06 0.61 -0.87 0.00 0.00 176.83 176.70 2yy1 n GLY 62 N -1.51 0.65 0.09 -0.77 0.00 -1.26 -4.90 105.19 97.49 2yy1 n GLY 62 Ca 0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 2yy1 n GLY 62 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yy1 n ASN 63 N 0.87 0.75 -4.02 1.61 2.85 -1.26 -4.70 115.26 111.35 2yy1 n ASN 63 Ca -0.03 0.33 -0.31 0.00 -0.11 0.00 0.00 54.58 54.45 2yy1 n ASN 63 Cb 0.14 0.30 -0.15 0.00 1.24 0.00 0.00 39.78 41.31 2yy1 n ASN 63 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2yy1 s ASP 64 N -5.72 4.55 -0.27 1.20 1.01 -1.26 -1.07 116.67 115.10 2yy1 s ASP 64 Ca -0.04 -1.79 0.02 0.00 0.71 0.00 0.00 52.55 51.45 2yy1 s ASP 64 Cb 0.09 -1.53 0.06 0.00 1.01 0.00 0.00 42.92 42.55 2yy1 s ASP 64 CO 0.82 -0.30 -0.08 -0.63 0.21 0.00 0.00 175.17 175.19 2yy1 s ILE 65 N 1.05 2.31 0.18 0.77 1.01 0.52 -2.03 121.20 125.01 2yy1 s ILE 65 Ca 0.03 -1.66 -0.10 0.00 0.00 0.00 0.00 60.65 58.91 2yy1 s ILE 65 Cb -0.19 -2.39 0.10 0.00 0.01 0.00 0.00 42.46 39.99 2yy1 s ILE 65 CO -0.08 -0.09 1.72 0.00 0.00 0.00 0.00 174.94 176.49 2yy1 h ALA 66 N 7.79 0.86 -3.02 9.38 0.00 -1.31 0.28 119.26 133.24 2yy1 h ALA 66 Ca -0.18 -0.21 -0.36 0.00 0.00 0.00 0.00 54.91 54.16 2yy1 h ALA 66 Cb 1.04 -0.25 -0.38 0.00 0.00 0.00 0.00 17.79 18.20 2yy1 h ALA 66 CO 0.48 0.53 -0.69 0.12 0.00 0.00 0.00 179.25 179.69 2yy1 s PHE 67 N -5.42 -0.05 -0.30 0.00 5.36 -1.04 -4.49 117.98 112.04 2yy1 s PHE 67 Ca -0.12 0.22 -0.06 0.00 -0.96 0.00 0.00 56.93 56.01 2yy1 s PHE 67 Cb 0.14 -0.44 0.02 0.00 -0.34 0.00 0.00 43.02 42.40 2yy1 s PHE 67 CO 0.82 -0.38 0.07 -1.58 -1.46 0.00 0.00 175.22 172.70 2yy1 s HIS 68 N 2.23 3.17 -0.38 10.12 5.65 -0.16 -0.97 115.29 134.96 2yy1 s HIS 68 Ca 0.04 -1.18 -0.07 0.00 0.25 0.00 0.00 55.06 54.09 2yy1 s HIS 68 Cb -0.14 -2.24 0.06 0.00 -1.18 0.00 0.00 32.58 29.09 2yy1 s HIS 68 CO -0.07 -0.64 0.17 0.12 -0.65 0.00 0.00 174.74 173.67 2yy1 s PHE 69 N 1.45 3.32 -0.50 3.88 5.36 -0.35 -1.95 117.98 129.19 2yy1 s PHE 69 Ca 0.01 -1.55 0.03 0.00 -0.96 0.00 0.00 56.93 54.46 2yy1 s PHE 69 Cb -0.18 -2.62 0.14 0.00 -0.34 0.00 0.00 43.02 40.02 2yy1 s PHE 69 CO 0.02 -0.79 0.28 1.21 -1.46 0.00 0.00 175.22 174.47 2yy1 s ASN 70 N 1.71 3.96 0.20 6.13 2.47 0.14 -1.20 114.94 128.34 2yy1 s ASN 70 Ca 0.01 -2.92 -0.30 0.00 0.42 0.00 0.00 52.86 50.06 2yy1 s ASN 70 Cb -0.21 -1.32 -0.09 0.00 -1.45 0.00 0.00 41.25 38.18 2yy1 s ASN 70 CO 0.02 -0.23 1.40 -2.84 -3.72 0.00 0.00 177.10 171.73 2yy1 s PRO 71 N -0.10 4.31 -0.22 0.43 0.02 -1.11 -0.98 135.00 137.35 2yy1 s PRO 71 Ca 0.19 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.40 2yy1 s PRO 71 Cb -0.22 -3.17 0.05 0.00 0.02 0.00 0.00 34.50 31.19 2yy1 s PRO 71 CO -0.02 -0.39 -0.06 1.03 -0.33 0.00 0.00 177.00 177.23 2yy1 s ARG 72 N 0.13 1.63 -1.48 5.54 0.52 0.24 -2.74 118.95 122.79 2yy1 s ARG 72 Ca 0.61 -0.87 -0.09 0.00 -0.52 0.00 0.00 55.73 54.85 2yy1 s ARG 72 Cb -0.39 -2.45 0.01 0.00 0.52 0.00 0.00 34.95 32.64 2yy1 s ARG 72 CO 0.38 -0.54 2.57 1.19 0.02 0.00 0.00 175.30 178.92 2yy1 n PHE 73 N 4.72 2.72 -3.91 -0.53 3.72 0.71 -1.44 117.46 123.45 2yy1 n PHE 73 Ca -0.12 -2.97 -0.10 0.00 -0.05 0.00 0.00 57.45 54.20 2yy1 n PHE 73 Cb 0.45 -2.28 -0.10 0.00 -0.94 0.00 0.00 39.48 36.61 2yy1 n PHE 73 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2yy1 s GLU 74 N 1.32 0.53 -1.72 -1.08 2.02 -1.26 -4.84 118.70 113.67 2yy1 s GLU 74 Ca 0.59 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.96 2yy1 s GLU 74 Cb 0.17 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.61 2yy1 s GLU 74 CO -0.07 -0.13 0.00 -0.25 0.02 0.00 0.00 175.26 174.83 2yy1 n ASP 75 N 1.06 -4.35 0.00 -0.19 10.43 -1.26 -0.84 116.55 121.40 2yy1 n ASP 75 Ca -0.21 0.39 0.00 0.00 2.57 0.00 0.00 54.79 57.54 2yy1 n ASP 75 Cb 0.57 -3.93 0.00 0.00 1.84 0.00 0.00 41.12 39.60 2yy1 n ASP 75 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2yy1 n GLY 76 N -0.34 1.98 0.04 0.44 0.00 -1.26 -4.97 105.19 101.08 2yy1 n GLY 76 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2yy1 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yy1 n GLY 77 N -0.58 0.89 3.48 -0.02 0.00 -0.02 -4.91 105.19 104.03 2yy1 n GLY 77 Ca 0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 2yy1 n GLY 77 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2yy1 s TYR 78 N -0.00 -0.42 -0.08 1.61 -0.85 -0.52 -4.38 117.35 112.72 2yy1 s TYR 78 Ca 0.00 0.25 0.02 0.00 -0.52 0.00 0.00 57.07 56.82 2yy1 s TYR 78 Cb 0.00 0.55 -0.02 0.00 0.38 0.00 0.00 41.96 42.87 2yy1 s TYR 78 CO 0.00 -0.67 -0.13 0.08 -1.52 0.00 0.00 175.55 173.31 2yy1 s VAL 79 N -3.36 3.12 -0.12 -3.49 1.01 0.25 0.83 120.40 118.63 2yy1 s VAL 79 Ca 0.04 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 2yy1 s VAL 79 Cb -0.01 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 2yy1 s VAL 79 CO -0.10 0.57 -0.03 -0.69 0.00 0.00 0.00 175.10 174.85 2yy1 s VAL 80 N -0.39 4.01 -0.07 2.92 1.01 -0.16 -1.61 120.40 126.12 2yy1 s VAL 80 Ca 0.04 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.72 2yy1 s VAL 80 Cb -0.12 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.54 2yy1 s VAL 80 CO 0.02 0.54 -0.18 0.00 0.00 0.00 0.00 175.10 175.48 2yy1 s ASN 82 N 0.33 -0.12 0.06 0.00 3.84 -0.82 -0.99 114.94 117.23 2yy1 s ASN 82 Ca -0.12 -0.75 0.07 0.00 0.21 0.00 0.00 52.86 52.27 2yy1 s ASN 82 Cb -0.15 0.69 -0.03 0.00 -0.55 0.00 0.00 41.25 41.21 2yy1 s ASN 82 CO 0.05 -1.32 -0.19 -0.89 -2.79 0.00 0.00 177.10 171.96 2yy1 s THR 83 N -3.02 1.57 -0.13 -5.21 2.01 -1.26 -0.99 115.64 108.61 2yy1 s THR 83 Ca 0.14 -1.25 0.01 0.00 0.31 0.00 0.00 61.69 60.90 2yy1 s THR 83 Cb -0.04 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 71.10 2yy1 s THR 83 CO 0.07 0.10 -0.14 -0.60 -0.69 0.00 0.00 174.62 173.36 2yy1 s ARG 84 N -1.35 2.22 -0.21 4.92 3.52 0.98 -1.49 118.95 127.54 2yy1 s ARG 84 Ca 0.06 -0.54 0.02 0.00 -0.13 0.00 0.00 55.73 55.14 2yy1 s ARG 84 Cb -0.09 -2.01 0.03 0.00 -1.56 0.00 0.00 34.95 31.33 2yy1 s ARG 84 CO 0.02 -0.19 -0.17 -0.65 -0.81 0.00 0.00 175.30 173.51 2yy1 s GLN 85 N 1.35 2.74 -1.47 5.12 -0.21 0.19 -0.36 119.66 127.03 2yy1 s GLN 85 Ca 0.02 -1.00 -0.12 0.00 0.02 0.00 0.00 55.36 54.27 2yy1 s GLN 85 Cb -0.13 -2.68 0.06 0.00 1.00 0.00 0.00 33.01 31.25 2yy1 s GLN 85 CO -0.08 -0.33 1.07 0.09 -2.12 0.00 0.00 175.29 173.92 2yy1 n ASN 86 N 4.56 -5.48 0.00 5.90 3.02 -1.21 -1.05 115.26 121.01 2yy1 n ASN 86 Ca -0.19 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 2yy1 n ASN 86 Cb 0.47 -4.35 0.00 0.00 -0.61 0.00 0.00 39.78 35.30 2yy1 n ASN 86 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yy1 n GLY 87 N -1.83 1.18 3.57 7.41 0.00 -0.24 -5.02 105.19 110.27 2yy1 n GLY 87 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2yy1 n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yy1 s SER 88 N -3.11 5.79 0.07 1.61 0.01 -0.21 -5.08 113.70 112.79 2yy1 s SER 88 Ca 0.00 -0.03 -0.27 0.00 1.31 0.00 0.00 55.95 56.96 2yy1 s SER 88 Cb 0.00 -2.06 -0.06 0.00 0.21 0.00 0.00 66.02 64.11 2yy1 s SER 88 CO 0.00 -0.01 0.83 0.26 0.41 0.00 0.00 173.24 174.73 2yy1 s TRP 89 N 1.51 3.77 0.00 2.43 0.52 -1.26 -0.64 118.94 125.27 2yy1 s TRP 89 Ca 0.07 1.59 0.00 0.00 0.02 0.00 0.00 56.10 57.78 2yy1 s TRP 89 Cb -0.15 -2.89 0.00 0.00 -1.15 0.00 0.00 33.47 29.28 2yy1 s TRP 89 CO 0.07 0.27 0.00 0.41 0.02 0.00 0.00 176.95 177.72 2yy1 n GLY 90 N 2.30 0.08 3.72 0.98 0.00 -0.56 -5.00 105.19 106.71 2yy1 n GLY 90 Ca -0.01 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 2yy1 n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yy1 s PRO 91 N 0.92 4.49 0.48 1.61 0.04 -1.26 -4.87 135.00 136.41 2yy1 s PRO 91 Ca 0.00 1.70 -0.19 0.00 0.04 0.00 0.00 61.00 62.55 2yy1 s PRO 91 Cb 0.00 -3.35 -0.09 0.00 0.04 0.00 0.00 34.50 31.10 2yy1 s PRO 91 CO 0.00 -0.15 0.99 -1.21 0.04 0.00 0.00 177.00 176.66 2yy1 s GLU 92 N 0.74 3.99 -0.15 4.56 2.02 -1.26 -4.78 118.70 123.81 2yy1 s GLU 92 Ca 0.56 1.12 0.01 0.00 0.02 0.00 0.00 54.97 56.68 2yy1 s GLU 92 Cb -0.28 -2.14 -0.00 0.00 0.10 0.00 0.00 34.13 31.81 2yy1 s GLU 92 CO 0.30 -0.24 -0.16 -1.21 0.02 0.00 0.00 175.26 173.97 2yy1 s GLU 93 N -3.53 3.22 0.05 1.61 2.02 -0.16 -4.97 118.70 116.94 2yy1 s GLU 93 Ca 0.62 -0.75 0.08 0.00 0.02 0.00 0.00 54.97 54.93 2yy1 s GLU 93 Cb -0.11 -2.60 -0.03 0.00 0.10 0.00 0.00 34.13 31.50 2yy1 s GLU 93 CO 0.22 0.05 -0.21 1.03 0.02 0.00 0.00 175.26 176.37 2yy1 s ARG 94 N 0.72 1.41 -0.06 1.61 0.52 -1.26 -0.41 118.95 121.48 2yy1 s ARG 94 Ca -0.07 -0.99 0.03 0.00 -0.52 0.00 0.00 55.73 54.19 2yy1 s ARG 94 Cb -0.16 -1.55 0.01 0.00 0.52 0.00 0.00 34.95 33.77 2yy1 s ARG 94 CO 0.01 0.39 -0.16 0.21 0.02 0.00 0.00 175.30 175.78 2yy1 s LYS 95 N -1.26 1.96 0.00 3.54 2.20 -0.63 -4.97 119.74 120.57 2yy1 s LYS 95 Ca 0.08 -0.56 0.20 0.00 -0.36 0.00 0.00 55.97 55.33 2yy1 s LYS 95 Cb -0.09 -1.60 0.54 0.00 -1.51 0.00 0.00 37.83 35.16 2yy1 s LYS 95 CO 0.02 0.13 1.45 0.25 -0.36 0.00 0.00 175.35 176.84 2yy1 n THR 96 N 3.53 0.74 -3.68 3.43 -2.24 -1.26 -0.59 114.28 114.21 2yy1 n THR 96 Ca -0.21 -0.78 -0.37 0.00 -2.27 0.00 0.00 64.05 60.43 2yy1 n THR 96 Cb 0.52 0.49 -0.08 0.00 -2.10 0.00 0.00 70.33 69.16 2yy1 n THR 96 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2yy1 s HIS 97 N -1.26 3.54 -0.09 4.78 3.76 -1.26 -4.72 115.29 120.04 2yy1 s HIS 97 Ca 0.40 -2.78 -0.31 0.00 -0.15 0.00 0.00 55.06 52.23 2yy1 s HIS 97 Cb 0.21 -3.23 -0.09 0.00 1.11 0.00 0.00 32.58 30.59 2yy1 s HIS 97 CO 0.28 -0.81 2.04 -0.12 -0.85 0.00 0.00 174.74 175.28 2yy1 n MET 98 N 3.17 2.35 -0.27 1.40 1.56 -1.26 -4.87 117.12 119.20 2yy1 n MET 98 Ca 0.12 0.81 0.08 0.00 -0.27 0.00 0.00 57.70 58.44 2yy1 n MET 98 Cb 0.38 -2.95 0.23 0.00 2.15 0.00 0.00 33.22 33.03 2yy1 n MET 98 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 2yy1 n PRO 99 N 7.72 2.23 -4.46 2.12 -0.04 -1.26 -4.91 135.00 136.40 2yy1 n PRO 99 Ca 0.25 -1.90 -0.33 0.00 -0.04 0.00 0.00 63.50 61.47 2yy1 n PRO 99 Cb 0.38 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 2yy1 n PRO 99 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2yy1 s PHE 100 N -1.30 3.00 -0.06 0.54 0.08 -1.26 -5.03 117.98 113.96 2yy1 s PHE 100 Ca 0.35 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.47 2yy1 s PHE 100 Cb 0.18 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.96 2yy1 s PHE 100 CO 0.24 0.40 -0.06 -1.14 -0.10 0.00 0.00 175.22 174.56 2yy1 s GLN 101 N -1.13 1.06 0.38 0.44 0.74 -1.26 -5.12 119.66 114.76 2yy1 s GLN 101 Ca 0.15 -0.17 -0.28 0.00 0.05 0.00 0.00 55.36 55.11 2yy1 s GLN 101 Cb -0.11 -1.03 -0.11 0.00 1.10 0.00 0.00 33.01 32.86 2yy1 s GLN 101 CO 0.05 -0.08 1.45 0.15 -0.55 0.00 0.00 175.29 176.31 2yy1 s LYS 102 N 0.98 4.11 0.00 1.67 1.02 -1.26 -2.45 119.74 123.82 2yy1 s LYS 102 Ca -0.10 2.50 0.00 0.00 0.02 0.00 0.00 55.97 58.39 2yy1 s LYS 102 Cb -0.14 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.21 2yy1 s LYS 102 CO 0.00 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 2yy1 n GLY 103 N 0.52 1.40 3.32 -3.33 0.00 0.09 -4.96 105.19 102.22 2yy1 n GLY 103 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2yy1 n GLY 103 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2yy1 s MET 104 N -0.21 3.37 0.50 1.61 -1.94 -1.02 -4.99 119.30 116.62 2yy1 s MET 104 Ca 0.00 -0.64 -0.22 0.00 -1.71 0.00 0.00 55.69 53.12 2yy1 s MET 104 Cb 0.00 -2.91 -0.06 0.00 2.01 0.00 0.00 34.83 33.87 2yy1 s MET 104 CO 0.00 -0.09 1.21 -2.14 -0.01 0.00 0.00 175.02 173.98 2yy1 s PRO 105 N 1.18 3.49 0.09 2.03 0.02 -1.26 -4.42 135.00 136.13 2yy1 s PRO 105 Ca 0.02 1.86 0.01 0.00 0.02 0.00 0.00 61.00 62.91 2yy1 s PRO 105 Cb -0.14 -2.27 -0.04 0.00 0.02 0.00 0.00 34.50 32.06 2yy1 s PRO 105 CO -0.02 -0.80 -0.04 -0.59 -0.33 0.00 0.00 177.00 175.22 2yy1 s PHE 106 N -1.52 0.79 -0.31 6.54 -0.12 -0.08 -4.99 117.98 118.29 2yy1 s PHE 106 Ca 0.68 -0.99 -0.04 0.00 -0.05 0.00 0.00 56.93 56.53 2yy1 s PHE 106 Cb -0.31 -0.49 0.04 0.00 -0.63 0.00 0.00 43.02 41.64 2yy1 s PHE 106 CO 0.36 -0.25 0.04 -0.51 -0.05 0.00 0.00 175.22 174.81 2yy1 s ASP 107 N -3.01 5.01 -0.42 1.98 1.01 -1.26 -2.49 116.67 117.49 2yy1 s ASP 107 Ca 0.12 -1.15 -0.13 0.00 0.71 0.00 0.00 52.55 52.09 2yy1 s ASP 107 Cb 0.06 -1.78 0.04 0.00 1.01 0.00 0.00 42.92 42.26 2yy1 s ASP 107 CO -0.06 -0.27 0.29 -0.22 0.21 0.00 0.00 175.17 175.13 2yy1 s LEU 108 N 1.33 5.12 -0.21 1.23 2.96 0.14 -0.44 118.68 128.81 2yy1 s LEU 108 Ca -0.03 -1.12 -0.07 0.00 -0.22 0.00 0.00 54.13 52.69 2yy1 s LEU 108 Cb -0.19 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 2yy1 s LEU 108 CO 0.00 -0.49 0.07 0.00 -1.32 0.00 0.00 176.35 174.61 2yy1 s PHE 110 N 0.82 3.24 -0.28 0.00 0.08 0.67 -0.51 117.98 122.00 2yy1 s PHE 110 Ca 0.04 -1.60 -0.10 0.00 0.12 0.00 0.00 56.93 55.39 2yy1 s PHE 110 Cb -0.14 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 2yy1 s PHE 110 CO 0.02 -0.75 0.17 -1.17 -0.10 0.00 0.00 175.22 173.39 2yy1 s LEU 111 N 1.34 3.95 -0.22 -0.37 2.96 0.20 -0.19 118.68 126.34 2yy1 s LEU 111 Ca -0.03 -0.08 -0.20 0.00 -0.22 0.00 0.00 54.13 53.60 2yy1 s LEU 111 Cb -0.19 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 2yy1 s LEU 111 CO 0.01 -0.06 0.59 -0.69 -1.32 0.00 0.00 176.35 174.88 2yy1 s VAL 112 N 1.73 5.04 0.42 1.68 1.01 0.46 -0.59 120.40 130.15 2yy1 s VAL 112 Ca 0.07 1.09 0.05 0.00 0.00 0.00 0.00 61.98 63.19 2yy1 s VAL 112 Cb -0.16 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 2yy1 s VAL 112 CO 0.10 0.10 0.02 -1.10 0.00 0.00 0.00 175.10 174.22 2yy1 s GLN 113 N 2.03 1.98 0.43 2.72 -0.21 -0.08 0.16 119.66 126.69 2yy1 s GLN 113 Ca 0.26 -2.16 0.10 0.00 0.02 0.00 0.00 55.36 53.58 2yy1 s GLN 113 Cb -0.16 -1.47 0.95 0.00 1.00 0.00 0.00 33.01 33.34 2yy1 s GLN 113 CO 0.10 -0.16 2.06 0.66 -2.12 0.00 0.00 175.29 175.82 2yy1 h SER 114 N 1.71 0.38 0.00 5.90 4.64 -1.96 -3.22 113.55 121.01 2yy1 h SER 114 Ca -0.43 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2yy1 h SER 114 Cb 1.26 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2yy1 h SER 114 CO 0.77 0.27 -1.54 -1.20 -0.87 0.00 0.00 176.83 174.26 2yy1 n SER 115 N -4.48 1.72 -3.18 4.97 7.64 -1.26 -4.95 113.62 114.07 2yy1 n SER 115 Ca 0.04 -0.08 -0.07 0.00 1.01 0.00 0.00 58.87 59.76 2yy1 n SER 115 Cb 0.13 1.57 0.01 0.00 -1.01 0.00 0.00 64.21 64.91 2yy1 n SER 115 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2yy1 s ASP 116 N -3.47 -0.04 -0.12 6.43 -4.77 -1.22 -2.04 116.67 111.45 2yy1 s ASP 116 Ca -0.04 -0.95 -0.06 0.00 -3.30 0.00 0.00 52.55 48.20 2yy1 s ASP 116 Cb 0.09 0.76 -0.04 0.00 -1.09 0.00 0.00 42.92 42.64 2yy1 s ASP 116 CO 0.57 -1.48 0.10 -0.36 0.70 0.00 0.00 175.17 174.70 2yy1 s PHE 117 N -2.58 3.45 -0.22 2.11 0.08 0.58 -0.90 117.98 120.51 2yy1 s PHE 117 Ca 0.16 0.40 -0.05 0.00 0.12 0.00 0.00 56.93 57.56 2yy1 s PHE 117 Cb -0.05 -1.93 -0.02 0.00 -0.57 0.00 0.00 43.02 40.46 2yy1 s PHE 117 CO 0.09 0.60 -0.02 0.15 -0.10 0.00 0.00 175.22 175.95 2yy1 s LYS 118 N -0.81 3.48 -0.23 0.44 -0.14 0.25 -1.97 119.74 120.76 2yy1 s LYS 118 Ca 0.13 -0.58 -0.05 0.00 -1.36 0.00 0.00 55.97 54.12 2yy1 s LYS 118 Cb -0.12 -3.07 -0.01 0.00 -1.68 0.00 0.00 37.83 32.96 2yy1 s LYS 118 CO 0.03 -0.13 -0.02 0.08 -0.76 0.00 0.00 175.35 174.55 2yy1 s VAL 119 N 1.35 3.55 0.00 3.17 1.01 -0.27 -0.63 120.40 128.59 2yy1 s VAL 119 Ca 0.04 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.62 2yy1 s VAL 119 Cb -0.14 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 2yy1 s VAL 119 CO -0.01 0.37 -0.20 -0.04 0.00 0.00 0.00 175.10 175.23 2yy1 s MET 120 N 1.50 2.17 -0.19 2.72 -1.94 0.33 0.10 119.30 123.98 2yy1 s MET 120 Ca 0.05 -0.91 -0.00 0.00 -1.71 0.00 0.00 55.69 53.13 2yy1 s MET 120 Cb -0.15 -2.18 0.01 0.00 2.01 0.00 0.00 34.83 34.52 2yy1 s MET 120 CO -0.02 0.56 -0.15 0.08 -0.01 0.00 0.00 175.02 175.48 2yy1 s VAL 121 N -0.79 2.40 -1.50 -6.03 1.01 -0.16 0.03 120.40 115.36 2yy1 s VAL 121 Ca 0.12 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 2yy1 s VAL 121 Cb -0.10 -2.06 0.06 0.00 0.00 0.00 0.00 36.38 34.29 2yy1 s VAL 121 CO 0.02 0.48 0.72 0.59 0.00 0.00 0.00 175.10 176.91 2yy1 n ASN 122 N 4.66 -2.47 0.00 3.32 3.02 0.41 -1.18 115.26 123.01 2yy1 n ASN 122 Ca -0.20 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 2yy1 n ASN 122 Cb 0.50 -3.39 0.00 0.00 -0.61 0.00 0.00 39.78 36.28 2yy1 n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yy1 n GLY 123 N -1.69 0.80 3.37 7.41 0.00 -1.26 -5.01 105.19 108.82 2yy1 n GLY 123 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2yy1 n GLY 123 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yy1 s ILE 124 N -3.35 3.68 0.03 -0.61 1.01 -0.33 -5.06 121.20 116.57 2yy1 s ILE 124 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 60.65 59.92 2yy1 s ILE 124 Cb 0.00 -2.67 -0.12 0.00 0.01 0.00 0.00 42.46 39.68 2yy1 s ILE 124 CO 0.00 0.41 1.78 -0.11 0.00 0.00 0.00 174.94 177.03 2yy1 n LEU 125 N 4.61 3.46 -0.09 2.97 7.94 -1.26 -0.99 117.00 133.64 2yy1 n LEU 125 Ca -0.18 1.01 -0.18 0.00 -1.11 0.00 0.00 56.01 55.55 2yy1 n LEU 125 Cb 0.51 -1.42 -0.06 0.00 0.53 0.00 0.00 43.42 42.98 2yy1 n LEU 125 CO 0.30 -0.08 -1.07 0.33 -1.11 0.00 0.00 177.39 175.76 2yy1 n PHE 126 N 5.48 0.00 -3.94 1.96 7.35 0.12 -4.90 117.46 123.53 2yy1 n PHE 126 Ca 0.20 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.80 2yy1 n PHE 126 Cb 0.31 -0.61 -0.08 0.00 0.35 0.00 0.00 39.48 39.45 2yy1 n PHE 126 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2yy1 s VAL 127 N -2.33 0.11 -0.09 -2.13 -7.23 -1.07 -5.03 120.40 102.63 2yy1 s VAL 127 Ca -0.24 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 2yy1 s VAL 127 Cb 0.09 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.41 2yy1 s VAL 127 CO 0.31 -0.49 -0.11 -1.58 -0.31 0.00 0.00 175.10 172.91 2yy1 s GLN 128 N -3.93 1.72 -0.22 4.82 0.74 -1.26 -1.12 119.66 120.41 2yy1 s GLN 128 Ca 0.12 -0.38 0.01 0.00 0.05 0.00 0.00 55.36 55.16 2yy1 s GLN 128 Cb 0.05 -1.55 0.05 0.00 1.10 0.00 0.00 33.01 32.66 2yy1 s GLN 128 CO -0.05 -0.09 -0.09 -0.47 -0.55 0.00 0.00 175.29 174.04 2yy1 s TYR 129 N 1.09 2.59 0.23 1.67 5.04 -0.83 -4.97 117.35 122.16 2yy1 s TYR 129 Ca -0.06 -1.80 -0.30 0.00 -2.44 0.00 0.00 57.07 52.47 2yy1 s TYR 129 Cb -0.14 -1.68 -0.09 0.00 0.35 0.00 0.00 41.96 40.40 2yy1 s TYR 129 CO -0.02 -0.78 1.03 -0.06 -1.34 0.00 0.00 175.55 174.38 2yy1 s PHE 130 N 1.33 3.75 0.11 4.97 0.40 -1.26 -0.31 117.98 126.97 2yy1 s PHE 130 Ca -0.04 1.76 -0.34 0.00 -0.60 0.00 0.00 56.93 57.71 2yy1 s PHE 130 Cb -0.18 -3.16 -0.13 0.00 0.51 0.00 0.00 43.02 40.06 2yy1 s PHE 130 CO -0.07 -0.14 1.65 0.72 0.70 0.00 0.00 175.22 178.08 2yy1 n HIS 131 N 1.71 2.30 -0.03 0.36 8.25 -0.86 -4.87 115.22 122.08 2yy1 n HIS 131 Ca -0.00 0.19 0.02 0.00 -0.26 0.00 0.00 57.72 57.67 2yy1 n HIS 131 Cb 0.46 -2.58 -0.14 0.00 1.12 0.00 0.00 29.99 28.85 2yy1 n HIS 131 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2yy1 n ARG 132 N 4.19 0.66 -4.12 -0.41 1.74 -1.26 -4.94 116.66 112.52 2yy1 n ARG 132 Ca 0.18 -0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 57.09 2yy1 n ARG 132 Cb 0.29 -1.59 -0.11 0.00 -1.02 0.00 0.00 32.46 30.03 2yy1 n ARG 132 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2yy1 s VAL 133 N -3.07 0.68 0.08 1.55 -7.23 -1.26 -5.10 120.40 106.05 2yy1 s VAL 133 Ca -0.07 -1.49 -0.34 0.00 -1.81 0.00 0.00 61.98 58.27 2yy1 s VAL 133 Cb 0.10 -1.14 -0.13 0.00 0.56 0.00 0.00 36.38 35.78 2yy1 s VAL 133 CO 0.86 -0.58 1.71 -0.81 -0.31 0.00 0.00 175.10 175.97 2yy1 n PRO 134 N 0.76 2.26 0.25 4.82 -0.04 -1.26 -4.84 135.00 136.95 2yy1 n PRO 134 Ca -0.18 0.82 0.17 0.00 -0.04 0.00 0.00 63.50 64.27 2yy1 n PRO 134 Cb 0.57 -2.63 0.71 0.00 -0.04 0.00 0.00 33.50 32.11 2yy1 n PRO 134 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2yy1 h PHE 135 N 7.34 0.00 0.00 0.54 -5.15 -1.96 -2.50 116.94 115.21 2yy1 h PHE 135 Ca -0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 2yy1 h PHE 135 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.42 2yy1 h PHE 135 CO 0.73 0.00 0.00 0.45 -2.00 0.00 0.00 178.31 177.49 2yy1 h HIS 136 N 0.00 0.00 0.00 6.09 3.86 -1.89 -1.15 115.15 122.07 2yy1 h HIS 136 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2yy1 h HIS 136 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 2yy1 h HIS 136 CO 0.00 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.33 2yy1 n ARG 137 N -2.45 0.03 -3.10 2.45 1.74 -0.94 -4.68 116.66 109.71 2yy1 n ARG 137 Ca -0.00 0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.69 2yy1 n ARG 137 Cb 0.12 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.01 2yy1 n ARG 137 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2yy1 s VAL 138 N -2.96 5.05 0.00 1.55 1.01 -0.43 -4.28 120.40 120.33 2yy1 s VAL 138 Ca 0.15 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.42 2yy1 s VAL 138 Cb 0.18 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2yy1 s VAL 138 CO 0.51 0.20 0.35 -0.90 0.00 0.00 0.00 175.10 175.25 2yy1 n ASP 139 N 4.31 0.12 -3.89 3.32 5.75 -0.73 -1.43 116.55 124.00 2yy1 n ASP 139 Ca -0.02 -1.05 -0.11 0.00 -0.01 0.00 0.00 54.79 53.61 2yy1 n ASP 139 Cb 0.51 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.47 2yy1 n ASP 139 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2yy1 s THR 140 N -0.05 0.03 -0.05 2.12 2.01 -0.27 0.17 115.64 119.60 2yy1 s THR 140 Ca 0.00 -0.27 0.05 0.00 0.31 0.00 0.00 61.69 61.78 2yy1 s THR 140 Cb 0.00 -0.12 -0.01 0.00 0.01 0.00 0.00 72.50 72.38 2yy1 s THR 140 CO 0.00 -0.15 -0.21 -0.51 -0.69 0.00 0.00 174.62 173.06 2yy1 s ILE 141 N -0.44 1.72 0.07 1.82 2.07 -0.39 -0.35 121.20 125.69 2yy1 s ILE 141 Ca -0.05 -0.87 0.03 0.00 -1.41 0.00 0.00 60.65 58.36 2yy1 s ILE 141 Cb -0.03 -1.47 -0.03 0.00 0.13 0.00 0.00 42.46 41.06 2yy1 s ILE 141 CO -0.00 0.49 -0.10 -0.94 -1.91 0.00 0.00 174.94 172.47 2yy1 s SER 142 N 0.01 1.27 -0.02 4.50 1.04 -0.23 -1.05 113.70 119.23 2yy1 s SER 142 Ca -0.06 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.73 2yy1 s SER 142 Cb -0.13 0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.01 2yy1 s SER 142 CO 0.03 -0.18 0.00 -0.69 0.98 0.00 0.00 173.24 173.38 2yy1 s VAL 143 N -1.66 0.08 0.28 5.02 1.01 -0.19 0.06 120.40 125.00 2yy1 s VAL 143 Ca -0.03 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 2yy1 s VAL 143 Cb -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.15 2yy1 s VAL 143 CO 0.01 0.09 0.50 0.54 0.00 0.00 0.00 175.10 176.24 2yy1 s ASN 144 N 0.66 0.13 0.00 3.32 6.03 -0.89 -0.79 114.94 123.40 2yy1 s ASN 144 Ca -0.06 -1.07 0.00 0.00 -1.03 0.00 0.00 52.86 50.70 2yy1 s ASN 144 Cb -0.09 0.62 0.00 0.00 -3.03 0.00 0.00 41.25 38.76 2yy1 s ASN 144 CO -0.02 -1.22 0.00 0.61 -2.03 0.00 0.00 177.10 174.45 2yy1 n GLY 145 N -0.43 -1.65 3.02 0.45 0.00 -1.26 -0.78 105.19 104.54 2yy1 n GLY 145 Ca -0.02 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 2yy1 n GLY 145 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yy1 n SER 146 N 0.00 4.56 -3.73 1.61 3.41 0.27 -4.89 113.62 114.86 2yy1 n SER 146 Ca 0.00 -2.94 -0.14 0.00 -0.26 0.00 0.00 58.87 55.53 2yy1 n SER 146 Cb 0.00 -1.62 -0.09 0.00 -0.26 0.00 0.00 64.21 62.25 2yy1 n SER 146 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2yy1 s VAL 147 N 2.48 0.04 -0.11 -3.33 0.11 -1.26 -3.10 120.40 115.23 2yy1 s VAL 147 Ca 0.46 -0.34 0.02 0.00 -2.93 0.00 0.00 61.98 59.18 2yy1 s VAL 147 Cb 0.09 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.27 2yy1 s VAL 147 CO -0.02 -0.19 -0.16 -1.58 -3.33 0.00 0.00 175.10 169.82 2yy1 s GLN 148 N -1.09 3.11 -0.06 1.54 0.74 0.27 -4.78 119.66 119.39 2yy1 s GLN 148 Ca -0.11 -0.73 -0.08 0.00 0.05 0.00 0.00 55.36 54.49 2yy1 s GLN 148 Cb -0.04 -2.51 -0.04 0.00 1.10 0.00 0.00 33.01 31.52 2yy1 s GLN 148 CO 0.04 0.30 0.22 -0.51 -0.55 0.00 0.00 175.29 174.80 2yy1 s LEU 149 N 0.10 4.40 -0.16 3.68 1.43 -1.26 -0.06 118.68 126.81 2yy1 s LEU 149 Ca -0.07 0.58 0.08 0.00 -1.03 0.00 0.00 54.13 53.68 2yy1 s LEU 149 Cb -0.15 -2.32 -0.16 0.00 0.03 0.00 0.00 46.19 43.59 2yy1 s LEU 149 CO 0.05 0.35 -0.05 -1.20 0.23 0.00 0.00 176.35 175.74 2yy1 n SER 150 N 1.72 1.89 -3.62 2.29 7.64 0.43 -4.31 113.62 119.66 2yy1 n SER 150 Ca -0.17 -0.05 -0.03 0.00 1.01 0.00 0.00 58.87 59.64 2yy1 n SER 150 Cb 0.54 0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 64.06 2yy1 n SER 150 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2yy1 s TYR 151 N -2.37 -0.07 -0.12 1.43 -0.85 -1.04 -0.46 117.35 113.88 2yy1 s TYR 151 Ca -0.15 0.06 -0.01 0.00 -0.52 0.00 0.00 57.07 56.45 2yy1 s TYR 151 Cb 0.05 0.50 0.03 0.00 0.38 0.00 0.00 41.96 42.93 2yy1 s TYR 151 CO 0.53 -0.10 -0.04 0.42 -1.52 0.00 0.00 175.55 174.84 2yy1 s ILE 152 N -1.95 0.82 0.32 -3.49 1.01 -0.43 -0.69 121.20 116.79 2yy1 s ILE 152 Ca 0.10 -0.26 0.10 0.00 0.00 0.00 0.00 60.65 60.59 2yy1 s ILE 152 Cb -0.01 -0.95 -0.06 0.00 0.01 0.00 0.00 42.46 41.46 2yy1 s ILE 152 CO -0.04 0.24 -0.06 -0.94 0.00 0.00 0.00 174.94 174.15 2yy1 s SER 153 N 1.78 3.99 0.00 3.58 1.04 -0.11 -0.57 113.70 123.40 2yy1 s SER 153 Ca 0.04 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.45 2yy1 s SER 153 Cb -0.13 -0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.52 2yy1 s SER 153 CO -0.07 -0.15 0.40 0.49 0.98 0.00 0.00 173.24 174.89