#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yaz s GLN 2 N 0.00 1.06 0.12 5.55 -0.21 -1.26 -1.46 119.66 123.45 1yaz s GLN 2 Ca 0.00 -1.06 -0.05 0.00 0.02 0.00 0.00 55.36 54.27 1yaz s GLN 2 Cb 0.00 -1.22 -0.02 0.00 1.00 0.00 0.00 33.01 32.76 1yaz s GLN 2 CO 0.00 0.29 0.13 0.00 -2.12 0.00 0.00 175.29 173.59 1yaz s ALA 3 N -1.14 0.37 -0.06 6.09 0.00 -0.45 -1.63 121.76 124.94 1yaz s ALA 3 Ca 0.04 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 1yaz s ALA 3 Cb -0.10 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.77 1yaz s ALA 3 CO 0.03 -0.52 0.35 0.54 0.00 0.00 0.00 175.76 176.17 1yaz s VAL 4 N -3.97 0.03 -0.05 0.00 0.11 -0.13 -0.75 120.40 115.63 1yaz s VAL 4 Ca 0.16 -0.27 0.02 0.00 -2.93 0.00 0.00 61.98 58.97 1yaz s VAL 4 Cb 0.06 -0.60 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 1yaz s VAL 4 CO -0.03 -0.15 -0.10 0.00 -3.33 0.00 0.00 175.10 171.49 1yaz s ALA 5 N -0.73 1.08 -0.32 1.54 0.00 0.11 -1.04 121.76 122.40 1yaz s ALA 5 Ca -0.08 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 1yaz s ALA 5 Cb -0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1yaz s ALA 5 CO 0.03 0.11 0.18 0.08 0.00 0.00 0.00 175.76 176.16 1yaz s VAL 6 N 0.55 4.82 -0.12 0.00 1.01 -1.26 -0.68 120.40 124.72 1yaz s VAL 6 Ca -0.11 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 61.29 1yaz s VAL 6 Cb -0.14 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1yaz s VAL 6 CO 0.02 0.05 0.80 -0.76 0.00 0.00 0.00 175.10 175.22 1yaz s LEU 7 N 1.65 4.24 0.10 3.92 1.43 0.67 -4.07 118.68 126.62 1yaz s LEU 7 Ca 0.05 1.22 0.01 0.00 -1.03 0.00 0.00 54.13 54.38 1yaz s LEU 7 Cb -0.17 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 1yaz s LEU 7 CO 0.08 -0.29 -0.03 -0.54 0.23 0.00 0.00 176.35 175.80 1yaz s LYS 8 N 1.58 0.81 0.00 1.70 1.02 -0.82 -1.75 119.74 122.28 1yaz s LYS 8 Ca 0.39 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 55.04 1yaz s LYS 8 Cb -0.17 -0.03 0.00 0.00 -0.52 0.00 0.00 37.83 37.11 1yaz s LYS 8 CO 0.16 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.91 1yaz n GLY 9 N -0.03 0.77 0.75 -3.33 0.00 -1.26 -2.19 105.19 99.92 1yaz n GLY 9 Ca -0.11 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.20 1yaz n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yaz n ASP 10 N -0.14 3.44 -0.92 1.61 8.00 -1.26 -4.60 116.55 122.68 1yaz n ASP 10 Ca 0.00 -2.62 0.08 0.00 0.71 0.00 0.00 54.79 52.96 1yaz n ASP 10 Cb 0.00 -0.41 0.25 0.00 -0.02 0.00 0.00 41.12 40.94 1yaz n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yaz n ALA 11 N -0.16 2.88 -0.59 2.24 0.00 -1.26 -4.94 120.51 118.68 1yaz n ALA 11 Ca 0.17 -2.02 0.00 0.00 0.00 0.00 0.00 53.44 51.59 1yaz n ALA 11 Cb 0.70 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1yaz n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yaz n GLY 12 N -0.18 1.14 3.80 0.00 0.00 -1.26 -5.03 105.19 103.66 1yaz n GLY 12 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1yaz n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yaz s VAL 13 N -3.33 5.24 0.20 1.61 1.01 -1.26 -4.23 120.40 119.63 1yaz s VAL 13 Ca 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1yaz s VAL 13 Cb 0.00 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1yaz s VAL 13 CO 0.00 0.57 0.47 -0.94 0.00 0.00 0.00 175.10 175.20 1yaz s SER 14 N -0.65 -0.16 0.00 3.32 1.04 -0.49 -4.04 113.70 112.72 1yaz s SER 14 Ca 0.12 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1yaz s SER 14 Cb -0.12 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1yaz s SER 14 CO 0.02 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1yaz n GLY 15 N -0.32 -1.54 2.86 7.32 0.00 -0.72 -0.71 105.19 112.09 1yaz n GLY 15 Ca -0.08 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 1yaz n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yaz s VAL 16 N -2.20 0.12 -0.09 1.61 1.01 -0.36 -0.23 120.40 120.25 1yaz s VAL 16 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1yaz s VAL 16 Cb 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.25 1yaz s VAL 16 CO 0.00 0.07 -0.15 -0.69 0.00 0.00 0.00 175.10 174.32 1yaz s VAL 17 N 0.33 1.44 -0.00 2.92 1.01 0.15 -1.99 120.40 124.25 1yaz s VAL 17 Ca -0.03 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.37 1yaz s VAL 17 Cb -0.05 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1yaz s VAL 17 CO -0.01 0.43 -0.14 -0.54 0.00 0.00 0.00 175.10 174.84 1yaz s LYS 18 N 0.78 2.34 0.05 2.72 1.02 0.42 -0.71 119.74 126.35 1yaz s LYS 18 Ca -0.11 -0.82 0.08 0.00 0.02 0.00 0.00 55.97 55.14 1yaz s LYS 18 Cb -0.16 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 1yaz s LYS 18 CO 0.02 0.58 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.76 1yaz s PHE 19 N -0.87 1.89 -0.07 3.18 0.40 0.07 -1.21 117.98 121.37 1yaz s PHE 19 Ca 0.14 -0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 56.04 1yaz s PHE 19 Cb -0.11 -1.12 0.03 0.00 0.51 0.00 0.00 43.02 42.33 1yaz s PHE 19 CO 0.04 0.10 0.18 -2.00 0.70 0.00 0.00 175.22 174.25 1yaz s GLU 20 N -1.23 0.18 -0.17 0.44 2.12 -0.65 -1.34 118.70 118.06 1yaz s GLU 20 Ca 0.08 0.33 -0.04 0.00 0.36 0.00 0.00 54.97 55.70 1yaz s GLU 20 Cb -0.09 -0.00 0.08 0.00 0.26 0.00 0.00 34.13 34.38 1yaz s GLU 20 CO 0.02 -0.08 0.22 -1.14 -0.54 0.00 0.00 175.26 173.73 1yaz s GLN 21 N 0.55 0.15 0.17 4.30 0.74 -0.54 -0.93 119.66 124.11 1yaz s GLN 21 Ca -0.04 0.36 -0.09 0.00 0.05 0.00 0.00 55.36 55.64 1yaz s GLN 21 Cb -0.05 -0.84 0.05 0.00 1.10 0.00 0.00 33.01 33.26 1yaz s GLN 21 CO -0.03 -0.53 1.58 0.00 -0.55 0.00 0.00 175.29 175.76 1yaz h ALA 22 N 8.32 0.74 -2.99 1.58 0.00 -1.83 0.14 119.26 125.21 1yaz h ALA 22 Ca -0.16 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.42 1yaz h ALA 22 Cb 1.14 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1yaz h ALA 22 CO 0.23 0.67 0.21 -1.54 0.00 0.00 0.00 179.25 178.82 1yaz s SER 23 N -6.71 -0.20 0.32 0.00 1.04 -1.26 -4.36 113.70 102.54 1yaz s SER 23 Ca -0.11 -0.73 0.10 0.00 0.48 0.00 0.00 55.95 55.69 1yaz s SER 23 Cb 0.13 0.74 0.95 0.00 0.10 0.00 0.00 66.02 67.94 1yaz s SER 23 CO 0.86 -1.40 1.65 -0.08 0.98 0.00 0.00 173.24 175.26 1yaz h GLU 24 N 2.01 0.25 0.00 4.02 4.81 -1.93 -2.05 114.58 121.69 1yaz h GLU 24 Ca -0.22 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.97 1yaz h GLU 24 Cb 1.25 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1yaz h GLU 24 CO 0.27 0.17 -1.28 -1.13 -0.73 0.00 0.00 179.01 176.31 1yaz n SER 25 N -5.14 0.68 -4.75 1.04 3.41 -1.26 -4.90 113.62 102.70 1yaz n SER 25 Ca 0.28 0.27 -0.37 0.00 -0.26 0.00 0.00 58.87 58.78 1yaz n SER 25 Cb 0.88 0.70 0.04 0.00 -0.26 0.00 0.00 64.21 65.57 1yaz n SER 25 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1yaz s GLU 26 N -3.31 3.07 0.90 4.33 8.01 -0.77 -4.99 118.70 125.94 1yaz s GLU 26 Ca -0.02 2.07 -0.12 0.00 0.01 0.00 0.00 54.97 56.90 1yaz s GLU 26 Cb 0.10 -2.13 0.13 0.00 -4.31 0.00 0.00 34.13 27.92 1yaz s GLU 26 CO 0.82 -1.19 1.11 -1.25 0.01 0.00 0.00 175.26 174.75 1yaz s PRO 27 N -3.05 1.26 -0.08 0.39 0.04 -1.26 -4.82 135.00 127.47 1yaz s PRO 27 Ca 0.74 0.52 -0.06 0.00 0.04 0.00 0.00 61.00 62.24 1yaz s PRO 27 Cb -0.36 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1yaz s PRO 27 CO 0.42 -2.17 0.16 0.99 0.04 0.00 0.00 177.00 176.44 1yaz s THR 28 N -3.12 5.48 -0.17 1.26 2.01 0.06 -4.69 115.64 116.47 1yaz s THR 28 Ca 0.63 0.12 -0.15 0.00 0.31 0.00 0.00 61.69 62.60 1yaz s THR 28 Cb -0.16 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1yaz s THR 28 CO 0.55 0.53 0.33 -0.89 -0.69 0.00 0.00 174.62 174.45 1yaz s THR 29 N -1.12 5.27 -0.17 -0.82 2.01 -0.10 -1.00 115.64 119.71 1yaz s THR 29 Ca 0.19 0.61 -0.02 0.00 0.31 0.00 0.00 61.69 62.78 1yaz s THR 29 Cb -0.12 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 1yaz s THR 29 CO 0.09 0.34 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.58 1yaz s VAL 30 N 0.73 3.26 -0.02 3.82 1.01 0.19 -1.63 120.40 127.76 1yaz s VAL 30 Ca 0.18 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.65 1yaz s VAL 30 Cb -0.14 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1yaz s VAL 30 CO 0.06 0.48 -0.20 -0.44 0.00 0.00 0.00 175.10 175.00 1yaz s SER 31 N 0.79 2.31 0.05 3.32 0.01 -0.35 -0.35 113.70 119.47 1yaz s SER 31 Ca -0.03 -0.36 -0.06 0.00 1.31 0.00 0.00 55.95 56.81 1yaz s SER 31 Cb -0.15 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.79 1yaz s SER 31 CO 0.01 0.24 0.11 -0.72 0.41 0.00 0.00 173.24 173.29 1yaz s TYR 32 N -0.43 0.20 -0.17 2.43 1.13 0.37 -0.44 117.35 120.45 1yaz s TYR 32 Ca 0.07 -0.53 -0.04 0.00 -1.41 0.00 0.00 57.07 55.16 1yaz s TYR 32 Cb -0.08 -0.13 0.08 0.00 -1.10 0.00 0.00 41.96 40.73 1yaz s TYR 32 CO -0.01 -0.41 0.21 -2.00 -2.51 0.00 0.00 175.55 170.84 1yaz s GLU 33 N -2.92 0.15 -0.04 -3.49 2.12 -0.84 -1.80 118.70 111.87 1yaz s GLU 33 Ca -0.02 0.33 0.01 0.00 0.36 0.00 0.00 54.97 55.65 1yaz s GLU 33 Cb 0.01 -0.91 0.02 0.00 0.26 0.00 0.00 34.13 33.50 1yaz s GLU 33 CO -0.06 -0.54 -0.05 0.42 -0.54 0.00 0.00 175.26 174.49 1yaz s ILE 34 N 2.32 0.57 0.34 -3.70 1.01 0.37 -1.23 121.20 120.88 1yaz s ILE 34 Ca 0.05 -0.17 0.10 0.00 0.00 0.00 0.00 60.65 60.63 1yaz s ILE 34 Cb -0.15 -0.57 -0.06 0.00 0.01 0.00 0.00 42.46 41.69 1yaz s ILE 34 CO -0.10 0.22 -0.07 0.00 0.00 0.00 0.00 174.94 174.99 1yaz s ALA 35 N 0.74 3.02 0.00 9.38 0.00 0.12 -0.10 121.76 134.91 1yaz s ALA 35 Ca -0.10 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 49.83 1yaz s ALA 35 Cb -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1yaz s ALA 35 CO 0.00 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1yaz n GLY 36 N -0.83 0.73 3.94 0.00 0.00 -1.19 -1.39 105.19 106.45 1yaz n GLY 36 Ca -0.05 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1yaz n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yaz s ASN 37 N -2.05 3.74 0.64 1.61 0.01 -0.93 -4.39 114.94 113.57 1yaz s ASN 37 Ca 0.00 0.17 -0.17 0.00 -0.71 0.00 0.00 52.86 52.16 1yaz s ASN 37 Cb 0.00 -0.41 -0.01 0.00 0.41 0.00 0.00 41.25 41.24 1yaz s ASN 37 CO 0.00 -2.31 1.16 -0.44 -1.51 0.00 0.00 177.10 174.00 1yaz s SER 38 N -4.78 5.00 0.51 -1.22 0.01 -1.26 -4.41 113.70 107.54 1yaz s SER 38 Ca 0.69 2.21 -0.15 0.00 1.31 0.00 0.00 55.95 60.01 1yaz s SER 38 Cb -0.06 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.52 1yaz s SER 38 CO 0.50 -1.71 0.97 -2.16 0.41 0.00 0.00 173.24 171.24 1yaz s PRO 39 N -3.73 3.90 -1.52 12.44 0.04 -1.26 -4.18 135.00 140.69 1yaz s PRO 39 Ca 0.72 0.88 -0.07 0.00 0.04 0.00 0.00 61.00 62.57 1yaz s PRO 39 Cb -0.25 -2.16 0.06 0.00 0.04 0.00 0.00 34.50 32.19 1yaz s PRO 39 CO 0.38 -0.27 0.57 0.09 0.04 0.00 0.00 177.00 177.81 1yaz n ASN 40 N -1.66 -1.59 -4.05 6.66 3.02 0.07 -4.94 115.26 112.78 1yaz n ASN 40 Ca 0.06 -1.00 -0.26 0.00 -0.03 0.00 0.00 54.58 53.35 1yaz n ASN 40 Cb 0.54 -2.98 -0.08 0.00 -0.61 0.00 0.00 39.78 36.65 1yaz n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yaz s ALA 41 N -3.70 2.98 -0.10 5.41 0.00 -1.19 -4.91 121.76 120.24 1yaz s ALA 41 Ca 0.30 -1.18 0.04 0.00 0.00 0.00 0.00 51.96 51.11 1yaz s ALA 41 Cb -0.16 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.73 1yaz s ALA 41 CO 0.90 -0.35 -0.23 -1.21 0.00 0.00 0.00 175.76 174.87 1yaz s GLU 42 N -3.67 2.99 -0.00 0.00 2.02 -1.26 -0.95 118.70 117.83 1yaz s GLU 42 Ca 0.23 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.39 1yaz s GLU 42 Cb 0.02 -2.32 -0.01 0.00 0.10 0.00 0.00 34.13 31.92 1yaz s GLU 42 CO 0.15 0.23 -0.11 1.03 0.02 0.00 0.00 175.26 176.58 1yaz s ARG 43 N 0.23 0.85 0.30 1.61 1.81 -0.17 -3.43 118.95 120.16 1yaz s ARG 43 Ca -0.15 -0.42 -0.29 0.00 -1.72 0.00 0.00 55.73 53.15 1yaz s ARG 43 Cb -0.17 -0.82 -0.11 0.00 -0.45 0.00 0.00 34.95 33.40 1yaz s ARG 43 CO 0.08 0.22 1.49 0.20 -0.68 0.00 0.00 175.30 176.61 1yaz s GLY 44 N -0.35 2.46 -0.19 -3.53 0.00 -0.58 -0.82 107.32 104.32 1yaz s GLY 44 Ca 0.04 1.47 -0.04 0.00 0.00 0.00 0.00 44.72 46.18 1yaz s GLY 44 CO -0.00 2.33 0.06 -0.12 0.00 0.00 0.00 173.10 175.37 1yaz s PHE 45 N -0.39 0.62 0.15 1.90 5.36 -0.28 -0.54 117.98 124.80 1yaz s PHE 45 Ca 0.58 -0.61 0.02 0.00 -0.96 0.00 0.00 56.93 55.96 1yaz s PHE 45 Cb -0.45 -0.87 -0.04 0.00 -0.34 0.00 0.00 43.02 41.32 1yaz s PHE 45 CO 0.51 -0.57 -0.02 -1.01 -1.46 0.00 0.00 175.22 172.67 1yaz s HIS 46 N 1.99 1.12 -0.22 10.12 3.76 -0.62 -2.31 115.29 129.14 1yaz s HIS 46 Ca 0.01 -0.99 -0.06 0.00 -0.15 0.00 0.00 55.06 53.87 1yaz s HIS 46 Cb -0.17 -0.64 -0.03 0.00 1.11 0.00 0.00 32.58 32.86 1yaz s HIS 46 CO -0.09 -0.20 0.02 0.42 -0.85 0.00 0.00 174.74 174.04 1yaz s ILE 47 N -3.65 4.09 0.24 0.60 1.01 -0.08 -0.96 121.20 122.44 1yaz s ILE 47 Ca 0.21 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.65 1yaz s ILE 47 Cb 0.06 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1yaz s ILE 47 CO 0.02 0.40 0.35 -1.00 0.00 0.00 0.00 174.94 174.71 1yaz s HIS 48 N 1.19 3.44 0.20 3.97 3.76 -0.04 -1.27 115.29 126.53 1yaz s HIS 48 Ca 0.04 -0.02 -0.09 0.00 -0.15 0.00 0.00 55.06 54.83 1yaz s HIS 48 Cb -0.14 -1.57 0.12 0.00 1.11 0.00 0.00 32.58 32.10 1yaz s HIS 48 CO 0.02 0.45 1.75 1.49 -0.85 0.00 0.00 174.74 177.59 1yaz h GLU 49 N 1.22 1.08 -6.52 1.40 4.81 -0.67 -2.99 114.58 112.90 1yaz h GLU 49 Ca -0.52 -0.21 -0.65 0.00 -0.13 0.00 0.00 59.36 57.86 1yaz h GLU 49 Cb 1.23 -0.17 -0.15 0.00 0.63 0.00 0.00 28.75 30.29 1yaz h GLU 49 CO 0.61 0.90 -0.73 -0.06 -0.73 0.00 0.00 179.01 179.00 1yaz s PHE 50 N -5.50 2.68 -0.77 0.92 0.08 -0.45 -4.67 117.98 110.27 1yaz s PHE 50 Ca -0.12 -0.19 -0.01 0.00 0.12 0.00 0.00 56.93 56.72 1yaz s PHE 50 Cb 0.14 -1.36 0.37 0.00 -0.57 0.00 0.00 43.02 41.60 1yaz s PHE 50 CO 0.83 0.46 1.89 0.41 -0.10 0.00 0.00 175.22 178.71 1yaz n GLY 51 N 0.41 5.63 3.30 4.36 0.00 -1.02 -3.44 105.19 114.42 1yaz n GLY 51 Ca -0.12 -2.51 -0.37 0.00 0.00 0.00 0.00 46.02 43.02 1yaz n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yaz s ASP 52 N -1.52 5.06 -0.28 1.61 -1.08 -1.26 -4.94 116.67 114.25 1yaz s ASP 52 Ca 0.52 -0.88 0.11 0.00 -0.52 0.00 0.00 52.55 51.78 1yaz s ASP 52 Cb 0.44 -1.84 0.59 0.00 -1.46 0.00 0.00 42.92 40.65 1yaz s ASP 52 CO -0.35 -0.22 1.59 0.00 0.52 0.00 0.00 175.17 176.71 1yaz n ALA 53 N 4.81 4.14 0.33 3.66 0.00 -1.26 -3.61 120.51 128.58 1yaz n ALA 53 Ca -0.14 -2.67 0.15 0.00 0.00 0.00 0.00 53.44 50.77 1yaz n ALA 53 Cb 0.47 -0.94 0.53 0.00 0.00 0.00 0.00 19.45 19.50 1yaz n ALA 53 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1yaz h THR 54 N 1.66 0.00 -2.17 0.00 1.35 -1.93 -3.32 112.91 108.50 1yaz h THR 54 Ca 0.21 -0.52 -0.58 0.00 -0.55 0.00 0.00 66.41 64.98 1yaz h THR 54 Cb 1.91 1.45 -0.40 0.00 -1.73 0.00 0.00 68.15 69.38 1yaz h THR 54 CO 0.51 0.00 -0.91 -3.20 -0.25 0.00 0.00 175.52 171.67 1yaz n ASN 55 N -2.80 1.35 0.00 5.36 5.15 -1.26 -5.04 115.26 118.02 1yaz n ASN 55 Ca 0.02 -2.91 0.00 0.00 -0.60 0.00 0.00 54.58 51.09 1yaz n ASN 55 Cb 0.34 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 38.94 1yaz n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1yaz n GLY 56 N 1.45 2.98 0.88 8.20 0.00 -1.25 -1.43 105.19 116.01 1yaz n GLY 56 Ca 0.25 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1yaz n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaz h VAL 58 N 3.77 1.29 0.00 0.00 2.07 -1.60 -3.04 116.25 118.73 1yaz h VAL 58 Ca 0.00 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1yaz h VAL 58 Cb 0.82 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1yaz h VAL 58 CO 0.00 0.40 0.00 -1.54 0.02 0.00 0.00 177.57 176.45 1yaz n SER 59 N -4.38 0.00 0.22 0.57 3.41 -1.08 -2.15 113.62 110.22 1yaz n SER 59 Ca -0.03 -0.68 0.16 0.00 -0.26 0.00 0.00 58.87 58.06 1yaz n SER 59 Cb 0.37 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.98 1yaz n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yaz h ALA 60 N 3.33 1.00 -0.06 7.33 0.00 -1.59 -3.39 119.26 125.88 1yaz h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yaz h ALA 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yaz h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1yaz n GLY 61 N -0.12 -1.26 2.31 0.00 0.00 -0.91 -1.34 105.19 103.87 1yaz n GLY 61 Ca 0.01 -1.26 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 1yaz n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yaz n PRO 62 N 0.00 -0.09 -2.15 1.61 -0.04 -1.26 -4.68 135.00 128.39 1yaz n PRO 62 Ca 0.00 -1.50 -0.37 0.00 -0.04 0.00 0.00 63.50 61.59 1yaz n PRO 62 Cb 0.00 -0.52 0.01 0.00 -0.04 0.00 0.00 33.50 32.95 1yaz n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1yaz s HIS 63 N -2.03 2.69 -0.07 0.54 3.76 -1.26 -0.41 115.29 118.51 1yaz s HIS 63 Ca 0.41 1.51 -0.30 0.00 -0.15 0.00 0.00 55.06 56.53 1yaz s HIS 63 Cb -0.02 -3.45 -0.06 0.00 1.11 0.00 0.00 32.58 30.16 1yaz s HIS 63 CO 0.28 -1.83 1.77 0.12 -0.85 0.00 0.00 174.74 174.23 1yaz s PHE 64 N -1.55 1.75 -0.44 1.40 5.36 -0.40 -4.46 117.98 119.65 1yaz s PHE 64 Ca 0.68 0.10 0.07 0.00 -0.96 0.00 0.00 56.93 56.82 1yaz s PHE 64 Cb -0.30 -4.01 0.27 0.00 -0.34 0.00 0.00 43.02 38.63 1yaz s PHE 64 CO 0.35 -4.19 0.77 -1.71 -1.46 0.00 0.00 175.22 168.99 1yaz n ASN 65 N 7.78 -1.35 0.27 6.13 5.15 -1.26 -1.38 115.26 130.59 1yaz n ASN 65 Ca 0.19 -3.11 0.15 0.00 -0.60 0.00 0.00 54.58 51.21 1yaz n ASN 65 Cb 0.43 0.71 0.77 0.00 -0.53 0.00 0.00 39.78 41.16 1yaz n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1yaz h PRO 66 N 3.77 0.00 -0.62 1.20 0.13 -1.99 -2.49 132.00 132.01 1yaz h PRO 66 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1yaz h PRO 66 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1yaz h PRO 66 CO 0.37 0.09 0.00 1.19 -0.23 0.00 0.00 178.00 179.42 1yaz n PHE 67 N -3.42 0.91 -3.71 1.56 3.72 -1.26 -4.96 117.46 110.30 1yaz n PHE 67 Ca -0.01 -0.43 -0.23 0.00 -0.05 0.00 0.00 57.45 56.73 1yaz n PHE 67 Cb 0.25 -0.04 0.03 0.00 -0.94 0.00 0.00 39.48 38.77 1yaz n PHE 67 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1yaz n LYS 68 N 1.23 -4.02 -3.52 -1.08 5.02 -0.94 -5.01 118.16 109.86 1yaz n LYS 68 Ca 0.21 0.58 -0.22 0.00 -2.02 0.00 0.00 58.31 56.86 1yaz n LYS 68 Cb 0.57 -4.98 0.00 0.00 -0.02 0.00 0.00 35.03 30.60 1yaz n LYS 68 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1yaz s LYS 69 N -5.97 2.39 0.50 1.97 -0.14 -1.26 -5.12 119.74 112.11 1yaz s LYS 69 Ca 0.09 -1.72 0.00 0.00 -1.36 0.00 0.00 55.97 52.98 1yaz s LYS 69 Cb -0.03 -2.37 0.01 0.00 -1.68 0.00 0.00 37.83 33.77 1yaz s LYS 69 CO 0.83 -0.52 0.73 0.95 -0.76 0.00 0.00 175.35 176.57 1yaz s THR 70 N -2.62 3.44 0.53 2.17 -4.23 -1.26 -4.74 115.64 108.92 1yaz s THR 70 Ca 0.47 -0.53 -0.21 0.00 -1.18 0.00 0.00 61.69 60.23 1yaz s THR 70 Cb -0.04 -3.29 -0.05 0.00 1.34 0.00 0.00 72.50 70.46 1yaz s THR 70 CO 0.28 -0.21 1.22 -2.28 -0.54 0.00 0.00 174.62 173.10 1yaz s HIS 71 N -2.67 2.55 0.00 3.99 2.46 0.27 -3.31 115.29 118.58 1yaz s HIS 71 Ca 0.52 1.49 0.00 0.00 0.47 0.00 0.00 55.06 57.54 1yaz s HIS 71 Cb -0.10 -3.51 0.00 0.00 -0.13 0.00 0.00 32.58 28.84 1yaz s HIS 71 CO 0.38 -2.09 0.00 0.41 -2.47 0.00 0.00 174.74 170.97 1yaz n GLY 72 N 0.51 2.22 3.90 1.59 0.00 -1.26 -4.35 105.19 107.80 1yaz n GLY 72 Ca 0.11 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 1yaz n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaz s ALA 73 N -1.00 3.40 0.56 4.61 0.00 -1.24 -4.73 121.76 123.37 1yaz s ALA 73 Ca 0.00 -0.41 0.26 0.00 0.00 0.00 0.00 51.96 51.81 1yaz s ALA 73 Cb 0.00 -2.60 1.53 0.00 0.00 0.00 0.00 23.12 22.05 1yaz s ALA 73 CO 0.00 -0.19 2.07 -1.35 0.00 0.00 0.00 175.76 176.29 1yaz h PRO 74 N 0.68 0.00 -0.31 0.00 0.11 -1.88 -1.60 132.00 129.00 1yaz h PRO 74 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1yaz h PRO 74 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1yaz h PRO 74 CO 0.63 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.67 1yaz n THR 75 N -4.05 0.39 -2.37 -1.15 -2.24 -1.26 -4.93 114.28 98.67 1yaz n THR 75 Ca 0.03 -0.67 -0.32 0.00 -2.27 0.00 0.00 64.05 60.82 1yaz n THR 75 Cb 0.38 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.61 1yaz n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1yaz s ASP 76 N -1.59 6.58 0.30 3.42 1.01 -0.60 -4.95 116.67 120.83 1yaz s ASP 76 Ca 0.37 1.57 0.15 0.00 0.71 0.00 0.00 52.55 55.35 1yaz s ASP 76 Cb 0.22 -2.51 0.30 0.00 1.01 0.00 0.00 42.92 41.94 1yaz s ASP 76 CO 0.31 -0.62 1.55 -0.08 0.21 0.00 0.00 175.17 176.55 1yaz h GLU 77 N 0.86 0.00 -4.67 8.23 4.57 -1.92 -3.39 114.58 118.26 1yaz h GLU 77 Ca -0.47 0.00 -0.70 0.00 -1.18 0.00 0.00 59.36 57.02 1yaz h GLU 77 Cb 1.19 0.00 -0.27 0.00 -0.16 0.00 0.00 28.75 29.51 1yaz h GLU 77 CO 0.61 0.53 -0.57 0.08 -1.18 0.00 0.00 179.01 178.48 1yaz s VAL 78 N -3.24 4.11 0.24 0.32 1.01 -1.26 -5.03 120.40 116.56 1yaz s VAL 78 Ca 0.02 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 1yaz s VAL 78 Cb 0.10 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 33.23 1yaz s VAL 78 CO 0.73 -0.16 0.66 0.00 0.00 0.00 0.00 175.10 176.34 1yaz s ARG 79 N 1.48 1.62 0.50 2.72 1.70 -1.23 -4.21 118.95 121.53 1yaz s ARG 79 Ca 0.00 -0.88 -0.18 0.00 -0.47 0.00 0.00 55.73 54.20 1yaz s ARG 79 Cb -0.19 0.59 -0.08 0.00 -0.57 0.00 0.00 34.95 34.70 1yaz s ARG 79 CO 0.04 -0.73 1.00 -1.01 -1.08 0.00 0.00 175.30 173.52 1yaz s HIS 80 N -3.89 3.24 0.33 5.89 3.76 -1.21 -4.69 115.29 118.73 1yaz s HIS 80 Ca 0.09 1.54 0.03 0.00 -0.15 0.00 0.00 55.06 56.57 1yaz s HIS 80 Cb -0.04 -2.90 0.63 0.00 1.11 0.00 0.00 32.58 31.38 1yaz s HIS 80 CO 0.02 -0.51 1.94 0.28 -0.85 0.00 0.00 174.74 175.62 1yaz h VAL 81 N 1.26 1.06 0.00 -0.90 2.07 -1.89 -2.20 116.25 115.66 1yaz h VAL 81 Ca -0.48 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1yaz h VAL 81 Cb 1.20 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1yaz h VAL 81 CO 0.60 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.97 1yaz n GLY 82 N -1.42 -0.75 3.57 2.17 0.00 -0.48 -4.56 105.19 103.72 1yaz n GLY 82 Ca 0.11 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1yaz n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yaz s ASP 83 N -2.07 6.50 -0.11 1.61 1.01 -0.83 -0.90 116.67 121.87 1yaz s ASP 83 Ca 0.33 0.15 0.16 0.00 0.71 0.00 0.00 52.55 53.90 1yaz s ASP 83 Cb 0.16 -2.51 0.60 0.00 1.01 0.00 0.00 42.92 42.18 1yaz s ASP 83 CO 0.27 -1.27 1.52 0.23 0.21 0.00 0.00 175.17 176.13 1yaz n MET 84 N 7.81 3.46 0.00 8.23 2.81 -0.98 -4.10 117.12 134.35 1yaz n MET 84 Ca 0.08 -2.74 0.00 0.00 -1.81 0.00 0.00 57.70 53.23 1yaz n MET 84 Cb 0.49 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 1yaz n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1yaz n GLY 85 N 0.59 -0.09 3.66 3.03 0.00 -1.24 -4.78 105.19 106.36 1yaz n GLY 85 Ca 0.22 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 1yaz n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yaz s ASN 86 N -4.00 4.87 0.04 1.61 0.01 -1.26 -1.13 114.94 115.09 1yaz s ASN 86 Ca 0.00 -0.23 0.01 0.00 -0.71 0.00 0.00 52.86 51.94 1yaz s ASN 86 Cb 0.00 -1.11 -0.04 0.00 0.41 0.00 0.00 41.25 40.51 1yaz s ASN 86 CO 0.00 0.18 0.09 0.68 -1.51 0.00 0.00 177.10 176.54 1yaz s VAL 87 N -1.29 4.69 -0.14 1.60 -7.23 0.00 -4.83 120.40 113.21 1yaz s VAL 87 Ca 0.25 -0.59 -0.07 0.00 -1.81 0.00 0.00 61.98 59.76 1yaz s VAL 87 Cb -0.12 -3.22 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 1yaz s VAL 87 CO 0.17 0.21 0.11 -0.54 -0.31 0.00 0.00 175.10 174.75 1yaz s LYS 88 N -2.15 3.59 0.05 4.82 1.02 -1.26 -1.00 119.74 124.81 1yaz s LYS 88 Ca 0.27 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.07 1yaz s LYS 88 Cb -0.12 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1yaz s LYS 88 CO 0.19 0.63 0.16 0.95 -0.92 0.00 0.00 175.35 176.36 1yaz s THR 89 N -0.60 5.11 0.00 2.17 -4.23 -0.13 -4.39 115.64 113.57 1yaz s THR 89 Ca 0.12 -0.45 -0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1yaz s THR 89 Cb -0.12 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.27 1yaz s THR 89 CO 0.02 0.19 0.01 -0.90 -0.54 0.00 0.00 174.62 173.40 1yaz n ASP 90 N 0.53 0.00 0.14 3.99 5.68 -0.15 -2.34 116.55 124.41 1yaz n ASP 90 Ca -0.08 -1.00 0.12 0.00 -0.50 0.00 0.00 54.79 53.33 1yaz n ASP 90 Cb 0.52 -0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.00 1yaz n ASP 90 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1yaz h GLU 91 N 0.00 0.00 -0.36 0.11 9.09 -1.93 0.56 114.58 122.05 1yaz h GLU 91 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1yaz h GLU 91 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 1yaz h GLU 91 CO 0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 1yaz n ASN 92 N -2.29 3.07 -0.09 3.06 5.03 -1.26 -4.78 115.26 117.99 1yaz n ASN 92 Ca 0.02 -1.94 -0.01 0.00 0.87 0.00 0.00 54.58 53.52 1yaz n ASN 92 Cb 0.23 -0.23 -0.01 0.00 -1.02 0.00 0.00 39.78 38.75 1yaz n ASN 92 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1yaz n GLY 93 N 1.43 0.47 3.70 7.41 0.00 -0.50 -4.69 105.19 113.02 1yaz n GLY 93 Ca 0.19 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 1yaz n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yaz s VAL 94 N -2.04 4.74 -0.17 1.61 1.01 -1.26 -2.19 120.40 122.09 1yaz s VAL 94 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1yaz s VAL 94 Cb 0.00 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1yaz s VAL 94 CO 0.00 0.55 -0.07 0.00 0.00 0.00 0.00 175.10 175.59 1yaz s ALA 95 N -0.42 2.82 -0.03 5.51 0.00 0.85 -0.97 121.76 129.51 1yaz s ALA 95 Ca 0.09 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1yaz s ALA 95 Cb -0.12 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.51 1yaz s ALA 95 CO 0.02 -0.01 0.08 0.21 0.00 0.00 0.00 175.76 176.06 1yaz s LYS 96 N 0.76 0.06 0.00 0.00 2.20 -1.26 -0.47 119.74 121.03 1yaz s LYS 96 Ca -0.03 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 1yaz s LYS 96 Cb -0.15 -0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.11 1yaz s LYS 96 CO 0.02 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 1yaz n GLY 97 N 3.52 -1.54 3.37 5.54 0.00 -0.75 -4.99 105.19 110.34 1yaz n GLY 97 Ca -0.18 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 1yaz n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yaz s SER 98 N -1.23 -0.39 0.23 1.61 1.04 -1.26 -0.48 113.70 113.22 1yaz s SER 98 Ca 0.00 0.10 -0.19 0.00 0.48 0.00 0.00 55.95 56.34 1yaz s SER 98 Cb 0.00 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.62 1yaz s SER 98 CO 0.00 -0.72 0.61 0.72 0.98 0.00 0.00 173.24 174.83 1yaz s PHE 99 N -2.55 -0.14 0.03 5.02 -0.71 0.52 -4.97 117.98 115.17 1yaz s PHE 99 Ca -0.05 -0.23 0.05 0.00 -1.04 0.00 0.00 56.93 55.66 1yaz s PHE 99 Cb -0.01 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.29 1yaz s PHE 99 CO -0.03 -1.05 -0.11 0.15 -1.34 0.00 0.00 175.22 172.84 1yaz s LYS 100 N -3.90 2.34 -0.03 1.99 1.02 -1.26 0.54 119.74 120.44 1yaz s LYS 100 Ca 0.11 -0.85 -0.03 0.00 0.02 0.00 0.00 55.97 55.22 1yaz s LYS 100 Cb -0.03 -2.37 0.01 0.00 -0.52 0.00 0.00 37.83 34.91 1yaz s LYS 100 CO 0.01 0.57 0.09 0.34 -0.92 0.00 0.00 175.35 175.45 1yaz s ASP 101 N -1.53 -0.08 0.00 2.83 2.15 -0.17 -4.94 116.67 114.93 1yaz s ASP 101 Ca 0.17 0.14 0.24 0.00 0.43 0.00 0.00 52.55 53.52 1yaz s ASP 101 Cb -0.11 0.20 0.21 0.00 -0.30 0.00 0.00 42.92 42.91 1yaz s ASP 101 CO 0.08 -0.07 1.21 -1.20 -0.17 0.00 0.00 175.17 175.02 1yaz n SER 102 N 2.86 1.27 -0.08 -0.34 7.64 -1.26 -0.76 113.62 122.96 1yaz n SER 102 Ca -0.13 -1.02 -0.14 0.00 1.01 0.00 0.00 58.87 58.58 1yaz n SER 102 Cb 0.59 0.49 -0.14 0.00 -1.01 0.00 0.00 64.21 64.14 1yaz n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1yaz n LEU 103 N -0.79 1.39 -4.73 -3.43 4.77 -1.26 -4.88 117.00 108.06 1yaz n LEU 103 Ca 0.08 0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.72 1yaz n LEU 103 Cb 0.38 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1yaz n LEU 103 CO 0.33 0.65 0.84 -0.63 -1.33 0.00 0.00 177.39 177.25 1yaz s ILE 104 N -2.53 3.87 0.05 -0.08 1.01 -1.26 -5.01 121.20 117.25 1yaz s ILE 104 Ca -0.18 1.50 -0.00 0.00 0.00 0.00 0.00 60.65 61.97 1yaz s ILE 104 Cb 0.07 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1yaz s ILE 104 CO 0.76 0.20 -0.04 -0.54 0.00 0.00 0.00 174.94 175.32 1yaz s LYS 105 N 0.17 0.55 -0.00 2.79 1.02 -1.26 -4.13 119.74 118.88 1yaz s LYS 105 Ca 0.53 -1.02 0.15 0.00 0.02 0.00 0.00 55.97 55.65 1yaz s LYS 105 Cb -0.30 0.08 -0.17 0.00 -0.52 0.00 0.00 37.83 36.92 1yaz s LYS 105 CO 0.33 -0.06 0.62 1.28 -0.92 0.00 0.00 175.35 176.60 1yaz n LEU 106 N 0.64 0.67 -4.29 3.17 4.77 -1.26 -1.17 117.00 119.52 1yaz n LEU 106 Ca -0.17 -0.47 -0.29 0.00 -0.03 0.00 0.00 56.01 55.05 1yaz n LEU 106 Cb 0.59 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.52 1yaz n LEU 106 CO 0.25 0.17 -0.55 -0.63 -1.33 0.00 0.00 177.39 175.30 1yaz s ILE 107 N -2.47 1.93 0.00 -0.08 1.01 -1.26 -4.71 121.20 115.62 1yaz s ILE 107 Ca 0.05 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.56 1yaz s ILE 107 Cb 0.11 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.96 1yaz s ILE 107 CO 0.62 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.63 1yaz n GLY 108 N 2.22 -3.10 0.29 6.18 0.00 -1.26 -4.41 105.19 105.12 1yaz n GLY 108 Ca -0.16 -2.10 0.14 0.00 0.00 0.00 0.00 46.02 43.90 1yaz n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yaz h PRO 109 N 0.14 0.00 -0.56 1.61 0.13 -2.00 -1.64 132.00 129.68 1yaz h PRO 109 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 1yaz h PRO 109 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1yaz h PRO 109 CO 0.00 0.00 0.10 0.25 -0.23 0.00 0.00 178.00 178.12 1yaz n THR 110 N -3.95 2.73 -1.59 1.56 -2.24 -1.26 -5.02 114.28 104.51 1yaz n THR 110 Ca -0.03 -1.67 -0.42 0.00 -2.27 0.00 0.00 64.05 59.66 1yaz n THR 110 Cb 0.09 -0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.02 1yaz n THR 110 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1yaz n SER 111 N -0.01 1.12 -1.26 3.42 2.88 -0.62 -4.50 113.62 114.65 1yaz n SER 111 Ca 0.32 1.06 0.11 0.00 -1.33 0.00 0.00 58.87 59.03 1yaz n SER 111 Cb 1.20 -1.32 0.30 0.00 -0.75 0.00 0.00 64.21 63.64 1yaz n SER 111 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1yaz n VAL 112 N -0.36 0.88 -1.95 2.46 0.24 -0.32 -4.91 118.33 114.37 1yaz n VAL 112 Ca 0.09 -0.90 -0.42 0.00 -2.04 0.00 0.00 64.34 61.08 1yaz n VAL 112 Cb 0.38 0.51 -0.02 0.00 -1.47 0.00 0.00 33.84 33.24 1yaz n VAL 112 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1yaz s VAL 113 N -1.12 2.54 0.00 3.34 1.01 -1.26 -1.66 120.40 123.24 1yaz s VAL 113 Ca 0.45 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1yaz s VAL 113 Cb 0.24 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1yaz s VAL 113 CO 0.32 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1yaz n GLY 114 N 2.54 0.87 0.00 4.51 0.00 0.37 -5.00 105.19 108.48 1yaz n GLY 114 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1yaz n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yaz n ARG 115 N -2.00 2.53 -4.24 1.61 1.74 -0.66 -2.45 116.66 113.18 1yaz n ARG 115 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 1yaz n ARG 115 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 1yaz n ARG 115 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1yaz s SER 116 N -0.87 1.98 -0.08 0.55 0.01 -1.13 -0.34 113.70 113.82 1yaz s SER 116 Ca 0.00 -0.84 -0.00 0.00 1.31 0.00 0.00 55.95 56.42 1yaz s SER 116 Cb 0.00 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 1yaz s SER 116 CO 0.00 -0.17 -0.05 -0.69 0.41 0.00 0.00 173.24 172.74 1yaz s VAL 117 N -2.31 3.87 -0.05 3.43 1.01 -0.05 -0.86 120.40 125.43 1yaz s VAL 117 Ca 0.10 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1yaz s VAL 117 Cb -0.04 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1yaz s VAL 117 CO 0.03 0.59 -0.15 -0.69 0.00 0.00 0.00 175.10 174.88 1yaz s VAL 118 N -0.74 1.31 -0.16 2.92 1.01 -0.13 -1.38 120.40 123.23 1yaz s VAL 118 Ca 0.11 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1yaz s VAL 118 Cb -0.11 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1yaz s VAL 118 CO 0.02 0.39 0.01 -0.51 0.00 0.00 0.00 175.10 175.01 1yaz s ILE 119 N 0.32 4.36 0.50 2.22 1.10 -0.91 -1.59 121.20 127.20 1yaz s ILE 119 Ca -0.09 -0.19 0.05 0.00 -0.51 0.00 0.00 60.65 59.91 1yaz s ILE 119 Cb -0.13 -2.93 0.03 0.00 0.15 0.00 0.00 42.46 39.58 1yaz s ILE 119 CO 0.03 0.49 0.69 -1.00 -2.11 0.00 0.00 174.94 173.04 1yaz s HIS 120 N 0.23 2.60 -1.24 3.50 3.76 0.30 -3.48 115.29 120.96 1yaz s HIS 120 Ca 0.01 -0.30 0.24 0.00 -0.15 0.00 0.00 55.06 54.86 1yaz s HIS 120 Cb -0.13 -2.52 0.32 0.00 1.11 0.00 0.00 32.58 31.35 1yaz s HIS 120 CO 0.02 -0.73 1.28 0.00 -0.85 0.00 0.00 174.74 174.46 1yaz n ALA 121 N -2.12 3.77 -2.60 -1.40 0.00 -0.46 -4.45 120.51 113.26 1yaz n ALA 121 Ca 0.09 -0.45 -0.27 0.00 0.00 0.00 0.00 53.44 52.81 1yaz n ALA 121 Cb 0.60 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 1yaz n ALA 121 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1yaz s GLY 122 N -2.86 2.53 0.28 0.00 0.00 -0.01 -4.95 107.32 102.31 1yaz s GLY 122 Ca 0.13 -1.69 -0.28 0.00 0.00 0.00 0.00 44.72 42.88 1yaz s GLY 122 CO 0.70 -2.02 0.97 1.62 0.00 0.00 0.00 173.10 174.36 1yaz s GLN 123 N -3.79 4.70 -0.11 2.90 0.74 -1.22 -1.53 119.66 121.35 1yaz s GLN 123 Ca 0.27 1.48 -0.25 0.00 0.05 0.00 0.00 55.36 56.91 1yaz s GLN 123 Cb 0.07 -3.07 -0.02 0.00 1.10 0.00 0.00 33.01 31.09 1yaz s GLN 123 CO 0.14 0.36 0.80 0.34 -0.55 0.00 0.00 175.29 176.38 1yaz s ASP 124 N -1.31 7.02 -0.03 6.67 -1.08 -1.26 -4.08 116.67 122.59 1yaz s ASP 124 Ca 0.45 1.24 0.07 0.00 -0.52 0.00 0.00 52.55 53.79 1yaz s ASP 124 Cb -0.24 -2.45 0.26 0.00 -1.46 0.00 0.00 42.92 39.02 1yaz s ASP 124 CO 0.30 -0.28 1.09 -0.90 0.52 0.00 0.00 175.17 175.91 1yaz n ASP 125 N 4.53 1.94 -1.93 -0.34 5.68 0.12 -4.88 116.55 121.67 1yaz n ASP 125 Ca 0.02 -2.14 -0.20 0.00 -0.50 0.00 0.00 54.79 51.98 1yaz n ASP 125 Cb 0.50 -0.34 -0.05 0.00 -1.14 0.00 0.00 41.12 40.09 1yaz n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1yaz n LEU 126 N 0.25 -1.62 -0.13 -2.12 4.77 -1.26 -1.16 117.00 115.73 1yaz n LEU 126 Ca 0.09 0.29 -0.02 0.00 -0.03 0.00 0.00 56.01 56.34 1yaz n LEU 126 Cb 0.37 -2.79 -0.01 0.00 -2.33 0.00 0.00 43.42 38.66 1yaz n LEU 126 CO 0.08 -0.69 -0.02 0.61 -1.33 0.00 0.00 177.39 176.05 1yaz n GLY 127 N -0.63 0.53 0.93 -0.72 0.00 -1.25 -3.62 105.19 100.42 1yaz n GLY 127 Ca -0.21 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.56 1yaz n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yaz n LYS 128 N -2.47 2.24 -0.83 1.61 4.76 -0.31 -4.76 118.16 118.39 1yaz n LYS 128 Ca -0.02 -1.85 -0.10 0.00 -2.87 0.00 0.00 58.31 53.47 1yaz n LYS 128 Cb 0.12 -1.47 0.07 0.00 -1.84 0.00 0.00 35.03 31.90 1yaz n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1yaz n GLY 129 N 1.37 -0.85 0.79 0.72 0.00 -1.26 -5.01 105.19 100.95 1yaz n GLY 129 Ca 0.18 -1.75 0.09 0.00 0.00 0.00 0.00 46.02 44.53 1yaz n GLY 129 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yaz n ASP 130 N -3.24 3.68 -4.78 1.61 5.75 -1.26 -4.90 116.55 113.41 1yaz n ASP 130 Ca 0.06 -3.00 -0.23 0.00 -0.01 0.00 0.00 54.79 51.62 1yaz n ASP 130 Cb 0.21 -0.52 -0.05 0.00 -1.03 0.00 0.00 41.12 39.73 1yaz n ASP 130 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1yaz s THR 131 N -2.78 2.91 0.40 2.12 2.01 -1.26 -4.98 115.64 114.06 1yaz s THR 131 Ca 0.40 -1.58 0.18 0.00 0.31 0.00 0.00 61.69 61.01 1yaz s THR 131 Cb 0.33 -3.02 0.19 0.00 0.01 0.00 0.00 72.50 70.01 1yaz s THR 131 CO 0.08 -0.12 1.95 1.05 -0.69 0.00 0.00 174.62 176.90 1yaz h GLU 132 N 1.38 0.00 -0.90 4.92 9.09 -2.00 -2.27 114.58 124.80 1yaz h GLU 132 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 1yaz h GLU 132 Cb 1.25 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.31 1yaz h GLU 132 CO 0.63 0.23 0.57 1.49 0.05 0.00 0.00 179.01 181.98 1yaz h GLU 133 N 0.00 1.20 -0.39 1.06 4.57 -1.99 -1.83 114.58 117.20 1yaz h GLU 133 Ca -0.00 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1yaz h GLU 133 Cb 0.46 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1yaz h GLU 133 CO 0.03 0.82 0.22 1.03 -1.18 0.00 0.00 179.01 179.93 1yaz h SER 134 N 1.23 0.47 0.52 1.04 0.87 -1.75 -0.69 113.55 115.23 1yaz h SER 134 Ca 0.33 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1yaz h SER 134 Cb -0.10 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1yaz h SER 134 CO -0.07 0.38 -0.04 0.18 -0.53 0.00 0.00 176.83 176.75 1yaz n LEU 135 N -4.44 0.13 -0.09 2.23 4.77 -0.70 -2.38 117.00 116.52 1yaz n LEU 135 Ca 0.03 0.21 -0.18 0.00 -0.03 0.00 0.00 56.01 56.04 1yaz n LEU 135 Cb 0.09 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1yaz n LEU 135 CO 0.36 0.02 -1.02 0.29 -1.33 0.00 0.00 177.39 175.71 1yaz n LYS 136 N -1.21 0.41 0.00 3.23 4.01 -0.65 -0.57 118.16 123.38 1yaz n LYS 136 Ca 0.14 0.18 0.00 0.00 -0.51 0.00 0.00 58.31 58.12 1yaz n LYS 136 Cb 0.25 -1.20 0.00 0.00 -0.51 0.00 0.00 35.03 33.57 1yaz n LYS 136 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1yaz n THR 137 N -3.97 0.00 -0.87 -0.18 -2.24 -0.36 -4.70 114.28 101.97 1yaz n THR 137 Ca -0.32 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1yaz n THR 137 Cb 0.68 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 1yaz n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yaz n GLY 138 N 0.43 0.61 3.84 3.38 0.00 -1.00 -3.50 105.19 108.94 1yaz n GLY 138 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1yaz n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yaz n ASN 139 N 0.00 -5.21 0.00 1.61 3.02 -1.25 0.15 115.26 113.59 1yaz n ASN 139 Ca 0.00 -0.72 0.15 0.00 -0.03 0.00 0.00 54.58 53.97 1yaz n ASN 139 Cb 0.00 -4.16 0.77 0.00 -0.61 0.00 0.00 39.78 35.78 1yaz n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yaz n ALA 140 N -4.77 2.49 -0.04 5.41 0.00 -1.23 -4.71 120.51 117.66 1yaz n ALA 140 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1yaz n ALA 140 Cb 0.53 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1yaz n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yaz n GLY 141 N 1.14 -1.49 3.40 0.00 0.00 -1.26 -0.83 105.19 106.15 1yaz n GLY 141 Ca 0.16 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 1yaz n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1yaz n PRO 142 N -0.01 -2.62 -3.80 1.61 -0.02 -1.26 -4.66 135.00 124.24 1yaz n PRO 142 Ca 0.00 -0.74 -0.29 0.00 -2.02 0.00 0.00 63.50 60.45 1yaz n PRO 142 Cb 0.00 -2.04 -0.13 0.00 -0.02 0.00 0.00 33.50 31.31 1yaz n PRO 142 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1yaz s ARG 143 N -4.22 1.80 0.45 -0.52 0.52 -1.26 -1.36 118.95 114.37 1yaz s ARG 143 Ca 0.66 -2.60 0.14 0.00 -0.52 0.00 0.00 55.73 53.41 1yaz s ARG 143 Cb -0.22 -2.85 1.02 0.00 0.52 0.00 0.00 34.95 33.42 1yaz s ARG 143 CO 0.65 -1.21 2.01 -1.00 0.02 0.00 0.00 175.30 175.78 1yaz h PRO 144 N 6.15 0.03 -3.35 3.54 0.13 -1.87 -3.43 132.00 133.20 1yaz h PRO 144 Ca 0.04 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.09 1yaz h PRO 144 Cb 0.86 -0.01 -0.15 0.00 0.13 0.00 0.00 31.00 31.84 1yaz h PRO 144 CO 0.60 0.17 -0.18 0.00 -0.23 0.00 0.00 178.00 178.37 1yaz s ALA 145 N -4.74 -0.77 0.19 -0.56 0.00 -1.24 -4.12 121.76 110.52 1yaz s ALA 145 Ca -0.04 -0.04 -0.23 0.00 0.00 0.00 0.00 51.96 51.64 1yaz s ALA 145 Cb 0.16 0.48 0.05 0.00 0.00 0.00 0.00 23.12 23.81 1yaz s ALA 145 CO 0.70 -0.51 0.77 0.00 0.00 0.00 0.00 175.76 176.71 1yaz s GLY 147 N -2.84 -0.51 0.29 0.00 0.00 -0.48 -1.94 107.32 101.84 1yaz s GLY 147 Ca 0.08 0.87 -0.21 0.00 0.00 0.00 0.00 44.72 45.46 1yaz s GLY 147 CO -0.00 0.55 0.82 0.14 0.00 0.00 0.00 173.10 174.60 1yaz s VAL 148 N -2.07 4.44 -0.24 1.40 1.01 -1.26 -0.87 120.40 122.81 1yaz s VAL 148 Ca -0.07 1.45 -0.20 0.00 0.00 0.00 0.00 61.98 63.16 1yaz s VAL 148 Cb -0.01 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1yaz s VAL 148 CO 0.02 0.09 0.60 -0.63 0.00 0.00 0.00 175.10 175.18 1yaz s ILE 149 N -1.67 5.02 0.28 2.22 1.01 0.54 -4.38 121.20 124.22 1yaz s ILE 149 Ca 0.48 1.07 0.11 0.00 0.00 0.00 0.00 60.65 62.32 1yaz s ILE 149 Cb -0.16 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 1yaz s ILE 149 CO 0.21 0.07 -0.16 -0.83 0.00 0.00 0.00 174.94 174.23 1yaz s GLY 150 N 1.41 1.85 0.47 6.18 0.00 -0.21 -0.48 107.32 116.54 1yaz s GLY 150 Ca 0.25 -1.84 -0.20 0.00 0.00 0.00 0.00 44.72 42.93 1yaz s GLY 150 CO 0.09 -1.92 1.00 1.08 0.00 0.00 0.00 173.10 173.35 1yaz s LEU 151 N -3.55 3.87 0.00 0.66 1.43 -1.26 -0.96 118.68 118.87 1yaz s LEU 151 Ca 0.30 1.81 0.03 0.00 -1.03 0.00 0.00 54.13 55.24 1yaz s LEU 151 Cb -0.05 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 1yaz s LEU 151 CO 0.16 -0.60 0.17 1.07 0.23 0.00 0.00 176.35 177.38 1yaz n THR 152 N -0.87 0.00 0.23 5.49 5.66 -0.65 -4.84 114.28 119.30 1yaz n THR 152 Ca 0.08 -1.11 0.03 0.00 -3.05 0.00 0.00 64.05 60.00 1yaz n THR 152 Cb 0.53 0.59 0.02 0.00 -1.55 0.00 0.00 70.33 69.92 1yaz n THR 152 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56