#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rz0 h ASP 3 N 0.00 0.57 -0.51 1.67 3.45 -2.05 -1.43 116.42 118.11 1rz0 h ASP 3 Ca 0.00 0.17 -0.01 0.00 0.43 0.00 0.00 57.03 57.62 1rz0 h ASP 3 Cb 0.00 0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.85 1rz0 h ASP 3 CO 0.00 -0.06 0.27 -0.09 -1.57 0.00 0.00 179.24 177.79 1rz0 h ARG 4 N 0.40 0.72 -0.48 3.56 2.43 -2.05 0.11 114.38 119.08 1rz0 h ARG 4 Ca 0.71 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.74 1rz0 h ARG 4 Cb 1.54 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.93 1rz0 h ARG 4 CO -0.56 0.58 0.13 1.25 -1.51 0.00 0.00 179.97 179.86 1rz0 h LEU 5 N 0.68 0.71 0.14 3.80 5.85 -1.73 0.09 115.31 124.86 1rz0 h LEU 5 Ca 0.18 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1rz0 h LEU 5 Cb 0.07 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1rz0 h LEU 5 CO -0.03 0.74 -0.17 0.15 -0.34 0.00 0.00 178.44 178.79 1rz0 h PHE 6 N 0.64 -0.45 -0.54 1.25 3.57 -1.08 -0.71 116.94 119.62 1rz0 h PHE 6 Ca 0.15 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1rz0 h PHE 6 Cb 0.30 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1rz0 h PHE 6 CO 0.02 -0.26 0.26 0.00 -2.23 0.00 0.00 178.31 176.10 1rz0 h ARG 7 N -0.36 0.78 -0.57 1.11 3.08 -0.85 -2.16 114.38 115.42 1rz0 h ARG 7 Ca 0.01 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 60.03 1rz0 h ARG 7 Cb 0.35 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.20 1rz0 h ARG 7 CO -0.07 0.65 0.21 -0.91 -1.07 0.00 0.00 179.97 178.78 1rz0 h ASN 8 N 0.73 0.20 0.00 7.04 2.35 -0.87 -1.65 115.58 123.37 1rz0 h ASN 8 Ca 0.18 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1rz0 h ASN 8 Cb 0.13 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1rz0 h ASN 8 CO -0.02 0.13 0.00 0.00 -1.65 0.00 0.00 177.43 175.89 1rz0 n ALA 9 N -2.45 1.24 0.00 -0.83 0.00 -0.28 -2.78 120.51 115.40 1rz0 n ALA 9 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1rz0 n ALA 9 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1rz0 n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rz0 n GLY 11 N 0.68 0.00 0.00 0.00 0.00 -0.62 -3.83 105.19 101.41 1rz0 n GLY 11 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1rz0 n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rz0 n LYS 12 N 0.00 0.15 -3.11 1.61 4.76 -1.12 0.03 118.16 120.49 1rz0 n LYS 12 Ca 0.00 0.04 -0.43 0.00 -2.87 0.00 0.00 58.31 55.05 1rz0 n LYS 12 Cb 0.00 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.63 1rz0 n LYS 12 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1rz0 s PHE 13 N -2.83 3.02 0.44 2.13 5.36 -1.25 -4.95 117.98 119.90 1rz0 s PHE 13 Ca 0.18 -0.34 -0.24 0.00 -0.96 0.00 0.00 56.93 55.56 1rz0 s PHE 13 Cb 0.17 -3.54 -0.08 0.00 -0.34 0.00 0.00 43.02 39.24 1rz0 s PHE 13 CO 0.45 -1.02 1.22 0.00 -1.46 0.00 0.00 175.22 174.41 1rz0 s ALA 14 N 2.84 3.07 0.14 11.12 0.00 -1.26 -4.86 121.76 132.81 1rz0 s ALA 14 Ca 0.19 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 53.17 1rz0 s ALA 14 Cb -0.17 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1rz0 s ALA 14 CO 0.15 -0.75 0.16 0.95 0.00 0.00 0.00 175.76 176.27 1rz0 s THR 15 N -1.41 0.09 0.22 0.00 -4.23 -0.47 -5.00 115.64 104.84 1rz0 s THR 15 Ca 0.61 -1.67 -0.04 0.00 -1.18 0.00 0.00 61.69 59.41 1rz0 s THR 15 Cb -0.33 -1.94 0.05 0.00 1.34 0.00 0.00 72.50 71.63 1rz0 s THR 15 CO 0.41 -0.40 0.19 0.61 -0.54 0.00 0.00 174.62 174.88 1rz0 n GLY 16 N -0.14 -2.60 2.82 3.99 0.00 -1.26 -0.27 105.19 107.73 1rz0 n GLY 16 Ca -0.07 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 1rz0 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rz0 s VAL 17 N -1.33 -0.02 0.30 1.61 1.01 -1.19 -4.48 120.40 116.30 1rz0 s VAL 17 Ca 0.12 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.28 1rz0 s VAL 17 Cb -0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 36.38 36.25 1rz0 s VAL 17 CO 0.09 0.05 -0.04 0.42 0.00 0.00 0.00 175.10 175.62 1rz0 s THR 18 N 0.57 1.69 -0.12 3.92 -4.23 -0.46 -0.56 115.64 116.45 1rz0 s THR 18 Ca -0.05 -2.11 0.02 0.00 -1.18 0.00 0.00 61.69 58.37 1rz0 s THR 18 Cb -0.07 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 1rz0 s THR 18 CO -0.02 -0.23 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.96 1rz0 s VAL 19 N -2.98 2.53 -0.14 2.29 1.01 -0.14 -0.88 120.40 122.09 1rz0 s VAL 19 Ca 0.31 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 1rz0 s VAL 19 Cb 0.05 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1rz0 s VAL 19 CO 0.13 0.54 0.58 -0.63 0.00 0.00 0.00 175.10 175.73 1rz0 s ILE 20 N 0.37 5.09 0.16 2.22 -1.09 -1.26 -0.60 121.20 126.10 1rz0 s ILE 20 Ca -0.15 1.14 0.11 0.00 -2.23 0.00 0.00 60.65 59.53 1rz0 s ILE 20 Cb -0.17 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1rz0 s ILE 20 CO 0.07 0.22 -0.25 0.42 -1.23 0.00 0.00 174.94 174.17 1rz0 s THR 21 N 1.20 2.32 0.30 2.92 -4.23 -0.17 -4.12 115.64 113.87 1rz0 s THR 21 Ca 0.29 -1.89 -0.08 0.00 -1.18 0.00 0.00 61.69 58.83 1rz0 s THR 21 Cb -0.16 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.61 1rz0 s THR 21 CO 0.12 -0.01 0.50 0.28 -0.54 0.00 0.00 174.62 174.97 1rz0 s THR 22 N -1.36 0.00 -0.05 3.99 -1.32 -0.31 -0.57 115.64 116.02 1rz0 s THR 22 Ca 0.17 -1.46 0.02 0.00 -1.21 0.00 0.00 61.69 59.22 1rz0 s THR 22 Cb -0.09 -2.48 0.01 0.00 -1.51 0.00 0.00 72.50 68.43 1rz0 s THR 22 CO 0.08 0.00 -0.10 -0.70 -2.21 0.00 0.00 174.62 171.69 1rz0 s GLU 23 N -3.40 1.33 -0.29 7.08 2.12 -1.26 -0.86 118.70 123.42 1rz0 s GLU 23 Ca 0.26 -0.35 -0.01 0.00 0.36 0.00 0.00 54.97 55.22 1rz0 s GLU 23 Cb -0.01 -1.17 0.09 0.00 0.26 0.00 0.00 34.13 33.31 1rz0 s GLU 23 CO 0.14 0.06 0.09 -1.17 -0.54 0.00 0.00 175.26 173.84 1rz0 s LEU 24 N 0.49 1.92 -0.89 2.70 2.96 -0.28 -4.80 118.68 120.78 1rz0 s LEU 24 Ca -0.10 -1.48 -0.06 0.00 -0.22 0.00 0.00 54.13 52.28 1rz0 s LEU 24 Cb -0.13 -0.78 -0.01 0.00 0.50 0.00 0.00 46.19 45.77 1rz0 s LEU 24 CO 0.02 -0.40 0.72 0.59 -1.32 0.00 0.00 176.35 175.96 1rz0 n ASN 25 N 4.92 -6.25 0.00 3.68 3.02 -1.26 -3.05 115.26 116.31 1rz0 n ASN 25 Ca -0.04 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 1rz0 n ASN 25 Cb 0.43 -3.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 1rz0 n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rz0 n GLY 26 N -1.68 1.84 3.72 7.41 0.00 -1.26 -4.99 105.19 110.23 1rz0 n GLY 26 Ca -0.12 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1rz0 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rz0 s ALA 27 N -0.07 3.42 -0.15 4.61 0.00 -1.17 -5.03 121.76 123.36 1rz0 s ALA 27 Ca 0.00 0.90 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 1rz0 s ALA 27 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1rz0 s ALA 27 CO 0.00 -0.41 0.51 0.08 0.00 0.00 0.00 175.76 175.94 1rz0 s VAL 28 N 0.62 5.14 0.06 0.00 1.01 -1.26 -1.12 120.40 124.84 1rz0 s VAL 28 Ca 0.57 0.98 0.09 0.00 0.00 0.00 0.00 61.98 63.62 1rz0 s VAL 28 Cb -0.31 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1rz0 s VAL 28 CO 0.32 0.25 -0.24 -1.00 0.00 0.00 0.00 175.10 174.43 1rz0 s HIS 29 N 1.12 2.40 0.14 5.22 3.76 -0.04 -5.00 115.29 122.89 1rz0 s HIS 29 Ca 0.26 -0.36 0.03 0.00 -0.15 0.00 0.00 55.06 54.84 1rz0 s HIS 29 Cb -0.15 -1.39 -0.01 0.00 1.11 0.00 0.00 32.58 32.13 1rz0 s HIS 29 CO 0.10 0.20 0.10 0.41 -0.85 0.00 0.00 174.74 174.71 1rz0 n GLY 30 N 1.55 3.62 3.33 -2.22 0.00 -1.26 -1.16 105.19 109.06 1rz0 n GLY 30 Ca -0.17 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 1rz0 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rz0 s THR 32 N -2.45 2.82 -0.08 2.61 2.01 0.21 -4.93 115.64 115.84 1rz0 s THR 32 Ca 0.14 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.34 1rz0 s THR 32 Cb 0.01 -2.17 0.03 0.00 0.01 0.00 0.00 72.50 70.38 1rz0 s THR 32 CO 0.10 0.53 0.21 0.00 -0.69 0.00 0.00 174.62 174.77 1rz0 s ALA 33 N 0.37 -0.48 -0.63 7.40 0.00 -0.06 -4.88 121.76 123.48 1rz0 s ALA 33 Ca -0.12 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.59 1rz0 s ALA 33 Cb -0.16 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1rz0 s ALA 33 CO 0.06 -0.13 0.54 0.27 0.00 0.00 0.00 175.76 176.51 1rz0 n ASN 34 N 3.42 1.09 -3.97 0.00 6.94 -1.26 -1.36 115.26 120.13 1rz0 n ASN 34 Ca -0.17 -1.05 -0.42 0.00 -0.02 0.00 0.00 54.58 52.92 1rz0 n ASN 34 Cb 0.56 0.36 0.00 0.00 -2.36 0.00 0.00 39.78 38.35 1rz0 n ASN 34 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rz0 n ALA 35 N -0.17 5.02 -2.35 -2.53 0.00 -1.26 -4.92 120.51 114.30 1rz0 n ALA 35 Ca 0.03 -3.98 -0.19 0.00 0.00 0.00 0.00 53.44 49.30 1rz0 n ALA 35 Cb 0.14 -3.41 -0.09 0.00 0.00 0.00 0.00 19.45 16.09 1rz0 n ALA 35 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1rz0 s PHE 36 N 2.73 1.62 -0.02 0.00 5.36 -1.26 -1.65 117.98 124.75 1rz0 s PHE 36 Ca 0.47 -1.31 -0.21 0.00 -0.96 0.00 0.00 56.93 54.92 1rz0 s PHE 36 Cb 0.10 -0.91 -0.05 0.00 -0.34 0.00 0.00 43.02 41.82 1rz0 s PHE 36 CO -0.03 -0.44 0.60 0.45 -1.46 0.00 0.00 175.22 174.33 1rz0 s SER 38 N -3.38 6.95 -0.07 6.13 0.15 -1.26 -5.01 113.70 117.20 1rz0 s SER 38 Ca 0.35 1.14 -0.05 0.00 0.70 0.00 0.00 55.95 58.09 1rz0 s SER 38 Cb 0.06 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.97 1rz0 s SER 38 CO 0.16 0.07 -0.12 0.52 1.20 0.00 0.00 173.24 175.08 1rz0 n VAL 39 N 2.90 0.68 -3.80 4.45 0.31 0.10 -4.91 118.33 118.06 1rz0 n VAL 39 Ca -0.06 -0.04 -0.12 0.00 -0.01 0.00 0.00 64.34 64.11 1rz0 n VAL 39 Cb 0.51 -1.67 -0.11 0.00 -0.91 0.00 0.00 33.84 31.66 1rz0 n VAL 39 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1rz0 s SER 40 N -5.86 -0.17 -0.18 4.52 0.15 -0.74 -4.94 113.70 106.47 1rz0 s SER 40 Ca -0.12 0.24 -0.20 0.00 0.70 0.00 0.00 55.95 56.57 1rz0 s SER 40 Cb 0.04 0.39 -0.21 0.00 -1.71 0.00 0.00 66.02 64.53 1rz0 s SER 40 CO 0.16 -0.23 0.31 0.25 1.20 0.00 0.00 173.24 174.92 1rz0 h LEU 41 N 5.01 0.09 -7.74 3.45 5.85 -1.95 0.13 115.31 120.17 1rz0 h LEU 41 Ca -0.28 -0.64 -0.65 0.00 0.84 0.00 0.00 57.88 57.16 1rz0 h LEU 41 Cb 1.19 -0.03 -0.38 0.00 0.37 0.00 0.00 40.66 41.81 1rz0 h LEU 41 CO 0.37 1.52 -0.77 0.20 -0.34 0.00 0.00 178.44 179.43 1rz0 s ASN 42 N -6.86 4.40 0.94 1.25 0.01 -1.26 -2.36 114.94 111.06 1rz0 s ASN 42 Ca -0.26 -1.58 -0.14 0.00 -0.71 0.00 0.00 52.86 50.17 1rz0 s ASN 42 Cb 0.05 -1.46 0.16 0.00 0.41 0.00 0.00 41.25 40.41 1rz0 s ASN 42 CO 0.64 -0.26 1.17 -2.16 -1.51 0.00 0.00 177.10 174.98 1rz0 s PRO 43 N 1.13 0.89 -0.65 -0.60 0.04 -1.26 -5.04 135.00 129.51 1rz0 s PRO 43 Ca -0.02 0.11 -0.27 0.00 0.04 0.00 0.00 61.00 60.86 1rz0 s PRO 43 Cb -0.19 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1rz0 s PRO 43 CO -0.07 -2.33 1.38 0.15 0.04 0.00 0.00 177.00 176.17 1rz0 s LYS 44 N -5.43 3.20 0.08 4.56 1.02 -0.99 -4.48 119.74 117.70 1rz0 s LYS 44 Ca 0.66 0.14 0.08 0.00 0.02 0.00 0.00 55.97 56.86 1rz0 s LYS 44 Cb -0.12 -4.16 -0.03 0.00 -0.52 0.00 0.00 37.83 33.00 1rz0 s LYS 44 CO 0.53 -2.09 -0.20 -0.51 -0.92 0.00 0.00 175.35 172.16 1rz0 s LEU 45 N 6.11 2.26 0.22 3.17 1.43 0.03 -1.15 118.68 130.77 1rz0 s LEU 45 Ca 0.45 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1rz0 s LEU 45 Cb -0.09 -0.85 -0.05 0.00 0.03 0.00 0.00 46.19 45.23 1rz0 s LEU 45 CO 0.20 0.06 0.09 0.54 0.23 0.00 0.00 176.35 177.48 1rz0 s VAL 46 N -1.08 0.38 -0.10 -1.59 0.11 0.35 -0.72 120.40 117.76 1rz0 s VAL 46 Ca 0.05 -1.99 -0.09 0.00 -2.93 0.00 0.00 61.98 57.02 1rz0 s VAL 46 Cb -0.10 -2.50 0.03 0.00 -1.53 0.00 0.00 36.38 32.28 1rz0 s VAL 46 CO 0.03 -0.08 0.26 -0.22 -3.33 0.00 0.00 175.10 171.77 1rz0 s LEU 47 N -3.24 0.93 0.08 2.54 0.20 -1.26 -0.32 118.68 117.61 1rz0 s LEU 47 Ca 0.36 0.54 0.07 0.00 0.69 0.00 0.00 54.13 55.78 1rz0 s LEU 47 Cb 0.07 0.90 -0.03 0.00 -0.43 0.00 0.00 46.19 46.70 1rz0 s LEU 47 CO 0.11 -0.10 -0.17 0.54 -0.29 0.00 0.00 176.35 176.44 1rz0 s VAL 48 N 0.24 1.39 -0.17 1.68 0.11 -0.85 -4.31 120.40 118.50 1rz0 s VAL 48 Ca -0.01 -1.38 0.01 0.00 -2.93 0.00 0.00 61.98 57.67 1rz0 s VAL 48 Cb -0.03 -1.29 0.01 0.00 -1.53 0.00 0.00 36.38 33.55 1rz0 s VAL 48 CO -0.00 -0.12 -0.19 -0.55 -3.33 0.00 0.00 175.10 170.91 1rz0 s SER 49 N -1.74 3.30 -0.07 3.54 0.15 -0.66 -0.55 113.70 117.67 1rz0 s SER 49 Ca 0.02 -0.59 0.05 0.00 0.70 0.00 0.00 55.95 56.13 1rz0 s SER 49 Cb -0.10 -1.50 -0.00 0.00 -1.71 0.00 0.00 66.02 62.71 1rz0 s SER 49 CO 0.03 0.04 -0.22 -0.63 1.20 0.00 0.00 173.24 173.66 1rz0 s ILE 50 N 1.07 1.87 0.52 6.45 1.01 -0.12 -4.78 121.20 127.23 1rz0 s ILE 50 Ca -0.01 -0.94 -0.22 0.00 0.00 0.00 0.00 60.65 59.49 1rz0 s ILE 50 Cb -0.14 -1.61 -0.06 0.00 0.01 0.00 0.00 42.46 40.66 1rz0 s ILE 50 CO -0.07 0.52 1.28 -0.83 0.00 0.00 0.00 174.94 175.85 1rz0 s GLY 51 N 0.16 2.84 0.58 6.18 0.00 -1.26 -0.60 107.32 115.22 1rz0 s GLY 51 Ca -0.11 1.18 0.29 0.00 0.00 0.00 0.00 44.72 46.07 1rz0 s GLY 51 CO 0.06 1.67 2.23 1.05 0.00 0.00 0.00 173.10 178.10 1rz0 h GLU 52 N 1.61 0.00 -0.02 2.90 4.11 -1.43 -2.20 114.58 119.54 1rz0 h GLU 52 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1rz0 h GLU 52 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1rz0 h GLU 52 CO 0.58 0.02 -0.11 1.63 0.07 0.00 0.00 179.01 181.20 1rz0 n LYS 53 N -3.85 1.52 -2.61 1.06 4.01 -1.26 -4.93 118.16 112.10 1rz0 n LYS 53 Ca -0.03 -1.01 -0.42 0.00 -0.51 0.00 0.00 58.31 56.35 1rz0 n LYS 53 Cb 0.10 -1.48 -0.04 0.00 -0.51 0.00 0.00 35.03 33.11 1rz0 n LYS 53 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1rz0 s ALA 54 N -2.18 3.28 0.00 7.82 0.00 -0.83 -5.03 121.76 124.82 1rz0 s ALA 54 Ca 0.31 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1rz0 s ALA 54 Cb 0.20 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1rz0 s ALA 54 CO 0.40 -0.22 0.13 1.63 0.00 0.00 0.00 175.76 177.70 1rz0 n LYS 55 N 3.31 0.00 0.00 0.00 5.02 -1.26 -4.32 118.16 120.91 1rz0 n LYS 55 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1rz0 n LYS 55 Cb 0.48 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1rz0 n LYS 55 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1rz0 n LEU 57 N 2.17 0.00 0.02 -0.35 0.00 -1.26 -3.03 117.00 114.54 1rz0 n LEU 57 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.00 1rz0 n LEU 57 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 43.42 43.68 1rz0 n LEU 57 CO 0.06 0.00 0.84 1.05 0.00 0.00 0.00 177.39 179.35 1rz0 h GLU 58 N 0.00 0.47 -0.70 1.96 9.09 -1.96 -1.20 114.58 122.24 1rz0 h GLU 58 Ca 0.00 -0.13 0.05 0.00 0.05 0.00 0.00 59.36 59.32 1rz0 h GLU 58 Cb 0.00 -0.05 -0.05 0.00 -1.65 0.00 0.00 28.75 27.00 1rz0 h GLU 58 CO 0.00 0.60 0.42 0.87 0.05 0.00 0.00 179.01 180.95 1rz0 h LYS 59 N 0.44 0.77 -0.06 1.06 1.79 -1.90 -0.51 116.57 118.17 1rz0 h LYS 59 Ca 0.08 -0.05 -0.23 0.00 -2.18 0.00 0.00 60.65 58.28 1rz0 h LYS 59 Cb 0.48 -0.17 0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1rz0 h LYS 59 CO 0.03 0.51 -0.88 0.82 -1.08 0.00 0.00 179.45 178.85 1rz0 h ILE 60 N 0.80 1.33 -0.98 1.86 2.04 -1.78 -1.53 117.51 119.25 1rz0 h ILE 60 Ca 0.30 -2.21 0.11 0.00 1.00 0.00 0.00 64.86 64.06 1rz0 h ILE 60 Cb 0.11 2.23 -0.08 0.00 -0.74 0.00 0.00 36.82 38.34 1rz0 h ILE 60 CO -0.15 0.68 0.62 1.56 0.00 0.00 0.00 178.15 180.85 1rz0 h GLN 61 N 0.37 0.97 0.01 2.37 4.20 -0.79 0.23 115.11 122.47 1rz0 h GLN 61 Ca -0.08 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1rz0 h GLN 61 Cb 1.51 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1rz0 h GLN 61 CO 0.17 0.64 -0.00 1.96 -0.67 0.00 0.00 178.83 180.93 1rz0 h GLN 62 N 1.00 -0.01 0.00 1.46 4.20 -1.07 -3.34 115.11 117.35 1rz0 h GLN 62 Ca 0.47 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 59.12 1rz0 h GLN 62 Cb 0.42 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1rz0 h GLN 62 CO -0.25 0.75 -0.33 0.66 -0.67 0.00 0.00 178.83 178.99 1rz0 h SER 63 N -0.80 0.00 -3.26 1.46 4.64 -1.22 -3.47 113.55 110.90 1rz0 h SER 63 Ca -0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1rz0 h SER 63 Cb 0.77 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 1rz0 h SER 63 CO 0.00 0.33 -0.43 0.29 -0.87 0.00 0.00 176.83 176.16 1rz0 n LYS 64 N -3.36 -1.91 -3.66 4.77 4.76 0.80 -4.96 118.16 114.60 1rz0 n LYS 64 Ca 0.01 0.83 -0.10 0.00 -2.87 0.00 0.00 58.31 56.17 1rz0 n LYS 64 Cb 0.54 -5.44 -0.04 0.00 -1.84 0.00 0.00 35.03 28.24 1rz0 n LYS 64 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1rz0 s LYS 65 N -4.94 1.13 -0.02 1.97 -2.85 -1.26 -1.44 119.74 112.33 1rz0 s LYS 65 Ca 0.00 -0.75 -0.28 0.00 -1.00 0.00 0.00 55.97 53.94 1rz0 s LYS 65 Cb 0.00 0.48 0.09 0.00 -2.06 0.00 0.00 37.83 36.34 1rz0 s LYS 65 CO 0.00 -0.45 0.79 1.52 0.10 0.00 0.00 175.35 177.31 1rz0 s TYR 66 N -3.82 -0.49 0.06 1.78 -0.85 -0.75 -4.77 117.35 108.51 1rz0 s TYR 66 Ca 0.05 0.61 0.07 0.00 -0.52 0.00 0.00 57.07 57.27 1rz0 s TYR 66 Cb 0.01 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 1rz0 s TYR 66 CO -0.10 -0.58 -0.14 0.00 -1.52 0.00 0.00 175.55 173.20 1rz0 s ALA 67 N -2.21 2.77 -0.25 9.51 0.00 0.26 -0.26 121.76 131.58 1rz0 s ALA 67 Ca -0.02 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 1rz0 s ALA 67 Cb -0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1rz0 s ALA 67 CO -0.02 0.60 0.02 0.08 0.00 0.00 0.00 175.76 176.45 1rz0 s VAL 68 N -1.04 3.80 -0.41 0.00 1.01 0.68 -1.00 120.40 123.44 1rz0 s VAL 68 Ca 0.17 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 1rz0 s VAL 68 Cb -0.11 -2.82 0.08 0.00 0.00 0.00 0.00 36.38 33.53 1rz0 s VAL 68 CO 0.08 0.29 0.24 0.20 0.00 0.00 0.00 175.10 175.92 1rz0 s ASN 69 N 1.52 5.56 -0.10 3.32 0.01 0.23 -1.42 114.94 124.06 1rz0 s ASN 69 Ca 0.05 -1.54 -0.30 0.00 -0.71 0.00 0.00 52.86 50.36 1rz0 s ASN 69 Cb -0.15 -1.96 -0.02 0.00 0.41 0.00 0.00 41.25 39.52 1rz0 s ASN 69 CO 0.00 -0.52 1.22 -0.63 -1.51 0.00 0.00 177.10 175.66 1rz0 s ILE 70 N 1.39 4.28 0.13 0.60 1.01 -0.04 -0.96 121.20 127.61 1rz0 s ILE 70 Ca 0.03 1.58 -0.27 0.00 0.00 0.00 0.00 60.65 62.00 1rz0 s ILE 70 Cb -0.23 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.15 1rz0 s ILE 70 CO 0.01 -0.05 0.84 -0.76 0.00 0.00 0.00 174.94 174.98 1rz0 s LEU 71 N 2.70 4.54 0.75 2.97 1.43 0.28 0.13 118.68 131.48 1rz0 s LEU 71 Ca 0.55 1.67 -0.11 0.00 -1.03 0.00 0.00 54.13 55.20 1rz0 s LEU 71 Cb -0.23 -3.39 0.04 0.00 0.03 0.00 0.00 46.19 42.64 1rz0 s LEU 71 CO 0.19 0.09 1.10 -0.94 0.23 0.00 0.00 176.35 177.02 1rz0 s SER 72 N -0.61 5.03 0.61 2.29 1.04 -1.26 -2.03 113.70 118.76 1rz0 s SER 72 Ca 0.40 1.18 0.28 0.00 0.48 0.00 0.00 55.95 58.29 1rz0 s SER 72 Cb -0.23 -1.94 1.40 0.00 0.10 0.00 0.00 66.02 65.34 1rz0 s SER 72 CO 0.27 -1.61 1.80 -0.61 0.98 0.00 0.00 173.24 174.07 1rz0 h GLN 73 N -0.84 0.00 -0.46 4.02 4.15 -0.77 -1.98 115.11 119.23 1rz0 h GLN 73 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1rz0 h GLN 73 Cb 1.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.95 1rz0 h GLN 73 CO 0.62 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.27 1rz0 n ASP 74 N -3.48 2.52 -0.69 -0.69 8.00 -1.26 -4.41 116.55 116.53 1rz0 n ASP 74 Ca 0.08 -1.98 0.06 0.00 0.71 0.00 0.00 54.79 53.66 1rz0 n ASP 74 Cb 0.73 -0.30 0.17 0.00 -0.02 0.00 0.00 41.12 41.70 1rz0 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rz0 n GLN 75 N 0.88 1.27 -0.27 -1.24 6.02 -0.74 -4.73 117.38 118.56 1rz0 n GLN 75 Ca 0.16 -2.98 0.05 0.00 -0.01 0.00 0.00 57.00 54.21 1rz0 n GLN 75 Cb 0.40 -1.33 0.27 0.00 1.02 0.00 0.00 30.24 30.60 1rz0 n GLN 75 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1rz0 h LYS 76 N 0.88 0.93 -0.66 -1.09 3.64 -1.78 -1.60 116.57 116.89 1rz0 h LYS 76 Ca -0.04 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 1rz0 h LYS 76 Cb 1.15 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 1rz0 h LYS 76 CO 0.02 0.61 0.09 0.28 -2.27 0.00 0.00 179.45 178.19 1rz0 h VAL 77 N 0.96 1.26 -0.86 2.00 2.07 -1.96 -2.32 116.25 117.40 1rz0 h VAL 77 Ca 0.37 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1rz0 h VAL 77 Cb 0.21 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1rz0 h VAL 77 CO -0.13 0.39 0.50 -0.07 0.02 0.00 0.00 177.57 178.28 1rz0 h LEU 78 N 1.02 1.05 -0.81 2.57 3.38 -1.73 0.20 115.31 120.99 1rz0 h LEU 78 Ca 0.20 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1rz0 h LEU 78 Cb 0.46 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1rz0 h LEU 78 CO 0.02 0.83 0.00 -0.24 0.09 0.00 0.00 178.44 179.13 1rz0 n SER 79 N -4.40 0.00 0.00 -0.43 2.88 -0.67 -1.22 113.62 109.78 1rz0 n SER 79 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1rz0 n SER 79 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1rz0 n SER 79 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1rz0 n ASN 81 N 0.29 0.00 0.00 -3.46 5.15 0.72 -2.06 115.26 115.89 1rz0 n ASN 81 Ca 0.00 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.08 1rz0 n ASN 81 Cb 0.00 0.00 0.58 0.00 -0.53 0.00 0.00 39.78 39.83 1rz0 n ASN 81 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1rz0 n PHE 82 N 0.00 0.00 0.56 1.20 3.72 -0.35 -1.48 117.46 121.11 1rz0 n PHE 82 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1rz0 n PHE 82 Cb 0.00 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 38.69 1rz0 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rz0 n ALA 83 N -0.85 2.43 -1.17 4.37 0.00 -0.88 -0.62 120.51 123.80 1rz0 n ALA 83 Ca 0.15 -0.84 -0.06 0.00 0.00 0.00 0.00 53.44 52.69 1rz0 n ALA 83 Cb 0.07 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 1rz0 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rz0 n GLY 84 N 1.31 0.71 0.44 0.00 0.00 -0.55 -4.85 105.19 102.25 1rz0 n GLY 84 Ca 0.16 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1rz0 n GLY 84 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rz0 n GLN 85 N -1.37 1.57 -4.43 1.61 6.02 -1.26 -4.77 117.38 114.75 1rz0 n GLN 85 Ca -0.06 -0.87 -0.33 0.00 -0.01 0.00 0.00 57.00 55.74 1rz0 n GLN 85 Cb 0.37 -1.33 -0.16 0.00 1.02 0.00 0.00 30.24 30.14 1rz0 n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1rz0 s LEU 86 N -1.44 2.35 0.20 1.08 1.43 -1.26 -4.96 118.68 116.08 1rz0 s LEU 86 Ca 0.28 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 1rz0 s LEU 86 Cb 0.15 -1.53 0.13 0.00 0.03 0.00 0.00 46.19 44.96 1rz0 s LEU 86 CO 0.22 0.06 1.79 -0.33 0.23 0.00 0.00 176.35 178.32 1rz0 h GLU 87 N 7.51 1.02 -4.73 1.70 4.39 -1.99 -3.39 114.58 119.09 1rz0 h GLU 87 Ca -0.36 -0.14 -0.70 0.00 0.34 0.00 0.00 59.36 58.50 1rz0 h GLU 87 Cb 1.18 -0.19 -0.19 0.00 -0.10 0.00 0.00 28.75 29.45 1rz0 h GLU 87 CO 0.58 0.79 -0.33 0.21 -1.16 0.00 0.00 179.01 179.10 1rz0 s LYS 88 N -5.75 3.17 0.56 2.33 2.47 -1.26 -5.09 119.74 116.18 1rz0 s LYS 88 Ca -0.13 -0.79 -0.20 0.00 -1.56 0.00 0.00 55.97 53.29 1rz0 s LYS 88 Cb 0.14 -3.93 -0.05 0.00 -1.46 0.00 0.00 37.83 32.53 1rz0 s LYS 88 CO 0.80 -0.71 1.16 -2.30 0.16 0.00 0.00 175.35 174.46 1rz0 n PRO 89 N 5.35 1.29 -4.00 4.03 -0.02 -1.26 -5.04 135.00 135.35 1rz0 n PRO 89 Ca -0.10 0.48 -0.27 0.00 -2.02 0.00 0.00 63.50 61.60 1rz0 n PRO 89 Cb 0.48 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 1rz0 n PRO 89 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1rz0 s VAL 90 N -1.38 4.98 -0.54 -1.45 -7.23 -1.26 -5.06 120.40 108.46 1rz0 s VAL 90 Ca 0.73 -0.81 -0.25 0.00 -1.81 0.00 0.00 61.98 59.84 1rz0 s VAL 90 Cb -0.43 -3.54 0.04 0.00 0.56 0.00 0.00 36.38 33.01 1rz0 s VAL 90 CO 0.49 -0.06 0.98 -0.62 -0.31 0.00 0.00 175.10 175.57 1rz0 s ASP 91 N -3.08 6.38 -0.05 4.85 2.15 -1.26 -5.01 116.67 120.65 1rz0 s ASP 91 Ca 0.33 -0.21 -0.14 0.00 0.43 0.00 0.00 52.55 52.96 1rz0 s ASP 91 Cb -0.11 -2.46 -0.05 0.00 -0.30 0.00 0.00 42.92 40.00 1rz0 s ASP 91 CO 0.26 -1.24 0.38 -0.69 -0.17 0.00 0.00 175.17 173.71 1rz0 s VAL 92 N 4.07 5.13 -0.49 1.11 1.01 -1.26 -5.04 120.40 124.93 1rz0 s VAL 92 Ca 0.33 0.76 -0.26 0.00 0.00 0.00 0.00 61.98 62.80 1rz0 s VAL 92 Cb -0.11 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.61 1rz0 s VAL 92 CO 0.21 0.52 1.01 -1.10 0.00 0.00 0.00 175.10 175.75 1rz0 s GLN 93 N -0.64 3.55 -0.00 2.72 -1.52 -1.26 -5.04 119.66 117.47 1rz0 s GLN 93 Ca 0.22 0.21 -0.02 0.00 -1.95 0.00 0.00 55.36 53.83 1rz0 s GLN 93 Cb -0.16 -3.95 -0.04 0.00 -0.22 0.00 0.00 33.01 28.65 1rz0 s GLN 93 CO 0.11 -1.36 0.14 -0.06 -0.25 0.00 0.00 175.29 173.87 1rz0 s PHE 94 N 4.11 3.43 0.00 0.91 0.40 -1.26 -1.73 117.98 123.84 1rz0 s PHE 94 Ca 0.40 0.28 0.00 0.00 -0.60 0.00 0.00 56.93 57.01 1rz0 s PHE 94 Cb -0.09 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.65 1rz0 s PHE 94 CO 0.27 0.60 0.00 -0.85 0.70 0.00 0.00 175.22 175.94 1rz0 n GLU 95 N 1.01 2.75 -4.25 0.44 0.28 -0.18 -4.86 120.64 115.84 1rz0 n GLU 95 Ca -0.12 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.71 1rz0 n GLU 95 Cb 0.53 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.25 1rz0 n GLU 95 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1rz0 s GLU 96 N 0.77 0.56 -0.23 3.44 2.12 -1.26 -1.26 118.70 122.84 1rz0 s GLU 96 Ca 0.00 -0.26 -0.08 0.00 0.36 0.00 0.00 54.97 54.99 1rz0 s GLU 96 Cb 0.00 -0.54 0.10 0.00 0.26 0.00 0.00 34.13 33.95 1rz0 s GLU 96 CO 0.00 0.15 0.50 -1.17 -0.54 0.00 0.00 175.26 174.19 1rz0 s LEU 97 N -0.20 -0.81 -1.61 2.70 2.96 -0.22 -4.91 118.68 116.59 1rz0 s LEU 97 Ca 0.02 1.19 -0.02 0.00 -0.22 0.00 0.00 54.13 55.10 1rz0 s LEU 97 Cb -0.03 1.67 0.00 0.00 0.50 0.00 0.00 46.19 48.34 1rz0 s LEU 97 CO -0.00 -0.23 0.18 0.61 -1.32 0.00 0.00 176.35 175.59 1rz0 n GLY 98 N 5.41 -0.51 1.88 7.98 0.00 -1.26 -1.56 105.19 117.14 1rz0 n GLY 98 Ca -0.10 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1rz0 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rz0 n GLY 99 N -1.13 0.76 3.47 -0.02 0.00 -1.26 -4.98 105.19 102.03 1rz0 n GLY 99 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1rz0 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rz0 s LEU 100 N 0.00 2.67 0.14 0.99 1.43 -0.60 -4.96 118.68 118.34 1rz0 s LEU 100 Ca 0.00 -0.38 -0.31 0.00 -1.03 0.00 0.00 54.13 52.41 1rz0 s LEU 100 Cb 0.00 -1.56 -0.08 0.00 0.03 0.00 0.00 46.19 44.59 1rz0 s LEU 100 CO 0.00 0.26 1.33 -2.16 0.23 0.00 0.00 176.35 176.02 1rz0 s PRO 101 N -1.40 4.36 0.18 1.29 0.04 -1.26 -1.05 135.00 137.16 1rz0 s PRO 101 Ca 0.15 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.25 1rz0 s PRO 101 Cb -0.11 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 1rz0 s PRO 101 CO 0.05 -0.34 -0.07 0.14 0.04 0.00 0.00 177.00 176.82 1rz0 s VAL 102 N 0.75 1.15 -0.19 -0.36 -7.23 -0.39 -4.66 120.40 109.46 1rz0 s VAL 102 Ca 0.61 -2.06 -0.16 0.00 -1.81 0.00 0.00 61.98 58.56 1rz0 s VAL 102 Cb -0.36 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 1rz0 s VAL 102 CO 0.33 -0.61 0.42 -0.63 -0.31 0.00 0.00 175.10 174.30 1rz0 s ILE 103 N -3.34 5.19 0.34 -0.62 1.01 -1.26 -1.01 121.20 121.50 1rz0 s ILE 103 Ca 0.21 0.76 -0.29 0.00 0.00 0.00 0.00 60.65 61.33 1rz0 s ILE 103 Cb 0.03 -3.75 -0.12 0.00 0.01 0.00 0.00 42.46 38.64 1rz0 s ILE 103 CO 0.03 0.25 1.46 1.17 0.00 0.00 0.00 174.94 177.85 1rz0 n LYS 104 N 4.41 2.50 -1.01 2.79 4.81 -0.70 -2.45 118.16 128.51 1rz0 n LYS 104 Ca -0.08 0.88 -0.01 0.00 -0.87 0.00 0.00 58.31 58.24 1rz0 n LYS 104 Cb 0.51 -2.58 -0.00 0.00 0.02 0.00 0.00 35.03 32.98 1rz0 n LYS 104 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1rz0 n ASP 105 N 1.04 -4.44 -4.61 3.14 8.00 -1.26 -4.98 116.55 113.44 1rz0 n ASP 105 Ca 0.04 0.01 -0.36 0.00 0.71 0.00 0.00 54.79 55.20 1rz0 n ASP 105 Cb 0.37 -1.98 0.08 0.00 -0.02 0.00 0.00 41.12 39.57 1rz0 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rz0 n ALA 106 N 1.01 -0.29 -0.28 2.24 0.00 -1.03 -4.70 120.51 117.46 1rz0 n ALA 106 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.25 1rz0 n ALA 106 Cb 0.25 -2.10 0.12 0.00 0.00 0.00 0.00 19.45 17.71 1rz0 n ALA 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rz0 h LEU 107 N -0.23 0.77 -7.32 0.00 5.85 -0.58 -3.43 115.31 110.37 1rz0 h LEU 107 Ca -0.47 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 1rz0 h LEU 107 Cb 1.34 -0.15 -0.18 0.00 0.37 0.00 0.00 40.66 42.04 1rz0 h LEU 107 CO 0.47 0.51 -0.08 0.00 -0.34 0.00 0.00 178.44 179.00 1rz0 s ALA 108 N -6.08 -1.12 -0.06 1.25 0.00 -1.09 -1.39 121.76 113.27 1rz0 s ALA 108 Ca -0.13 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1rz0 s ALA 108 Cb 0.17 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.55 1rz0 s ALA 108 CO 0.78 -0.41 -0.12 -0.65 0.00 0.00 0.00 175.76 175.36 1rz0 s GLN 109 N -2.05 1.62 -0.17 0.00 -0.21 0.10 -0.86 119.66 118.10 1rz0 s GLN 109 Ca -0.08 -0.39 -0.03 0.00 0.02 0.00 0.00 55.36 54.88 1rz0 s GLN 109 Cb -0.02 -1.35 0.05 0.00 1.00 0.00 0.00 33.01 32.70 1rz0 s GLN 109 CO 0.01 0.03 0.03 0.42 -2.12 0.00 0.00 175.29 173.66 1rz0 s ILE 110 N 0.64 0.45 -0.10 1.08 1.01 -0.51 -0.55 121.20 123.22 1rz0 s ILE 110 Ca -0.14 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 1rz0 s ILE 110 Cb -0.15 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.37 1rz0 s ILE 110 CO 0.03 -0.11 0.26 -0.44 0.00 0.00 0.00 174.94 174.68 1rz0 s SER 111 N 1.90 6.52 0.04 3.58 0.01 0.04 -0.23 113.70 125.56 1rz0 s SER 111 Ca 0.01 0.61 0.03 0.00 1.31 0.00 0.00 55.95 57.90 1rz0 s SER 111 Cb -0.16 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 63.90 1rz0 s SER 111 CO -0.07 0.30 -0.09 0.00 0.41 0.00 0.00 173.24 173.78 1rz0 s GLN 113 N -1.36 3.65 0.03 0.00 -1.52 -0.07 -1.82 119.66 118.57 1rz0 s GLN 113 Ca -0.06 -0.42 -0.30 0.00 -1.95 0.00 0.00 55.36 52.62 1rz0 s GLN 113 Cb -0.09 -3.01 -0.07 0.00 -0.22 0.00 0.00 33.01 29.63 1rz0 s GLN 113 CO 0.01 0.35 1.53 0.08 -0.25 0.00 0.00 175.29 177.01 1rz0 s VAL 114 N 0.10 3.40 -0.34 1.09 1.01 -0.52 -0.36 120.40 124.77 1rz0 s VAL 114 Ca 0.02 0.80 0.07 0.00 0.00 0.00 0.00 61.98 62.86 1rz0 s VAL 114 Cb -0.13 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 1rz0 s VAL 114 CO 0.02 -0.01 0.30 1.33 0.00 0.00 0.00 175.10 176.74 1rz0 n VAL 115 N 4.74 0.00 -3.53 2.92 0.24 -0.11 -4.91 118.33 117.68 1rz0 n VAL 115 Ca 0.15 -0.35 -0.17 0.00 -2.04 0.00 0.00 64.34 61.93 1rz0 n VAL 115 Cb 0.42 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 1rz0 n VAL 115 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1rz0 s ASN 116 N -1.57 -0.61 -0.06 -1.34 3.04 -1.16 -5.01 114.94 108.22 1rz0 s ASN 116 Ca 0.03 0.64 -0.00 0.00 0.04 0.00 0.00 52.86 53.57 1rz0 s ASN 116 Cb 0.05 0.50 0.02 0.00 -1.54 0.00 0.00 41.25 40.28 1rz0 s ASN 116 CO 0.26 -0.57 -0.03 -1.61 -3.04 0.00 0.00 177.10 172.11 1rz0 s GLU 117 N -1.24 0.81 -0.16 0.43 2.02 -1.26 -1.69 118.70 117.61 1rz0 s GLU 117 Ca -0.09 -0.03 -0.01 0.00 0.02 0.00 0.00 54.97 54.87 1rz0 s GLU 117 Cb -0.00 -0.98 0.04 0.00 0.10 0.00 0.00 34.13 33.29 1rz0 s GLU 117 CO 0.08 -0.20 -0.04 0.08 0.02 0.00 0.00 175.26 175.20 1rz0 s VAL 118 N 1.48 0.98 0.26 2.63 1.01 -0.41 -4.98 120.40 121.37 1rz0 s VAL 118 Ca -0.02 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 1rz0 s VAL 118 Cb -0.13 -1.18 -0.09 0.00 0.00 0.00 0.00 36.38 34.98 1rz0 s VAL 118 CO -0.03 0.12 1.21 -1.58 0.00 0.00 0.00 175.10 174.82 1rz0 s GLN 119 N 1.69 4.49 -0.28 2.72 0.74 -1.26 -0.57 119.66 127.19 1rz0 s GLN 119 Ca 0.01 1.97 -0.01 0.00 0.05 0.00 0.00 55.36 57.38 1rz0 s GLN 119 Cb -0.15 -3.17 0.13 0.00 1.10 0.00 0.00 33.01 30.92 1rz0 s GLN 119 CO -0.08 -0.03 0.28 0.00 -0.55 0.00 0.00 175.29 174.91 1rz0 s ALA 120 N -0.69 -0.40 0.00 1.58 0.00 0.38 -4.93 121.76 117.69 1rz0 s ALA 120 Ca 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1rz0 s ALA 120 Cb -0.35 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1rz0 s ALA 120 CO 0.43 -1.65 0.00 0.41 0.00 0.00 0.00 175.76 174.95 1rz0 n GLY 121 N 5.31 2.76 0.38 0.00 0.00 -1.26 -1.66 105.19 110.71 1rz0 n GLY 121 Ca -0.03 0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.23 1rz0 n GLY 121 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1rz0 h ASP 122 N 0.00 0.00 -4.19 1.61 3.45 -1.98 -3.45 116.42 111.86 1rz0 h ASP 122 Ca 0.00 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.13 1rz0 h ASP 122 Cb 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 38.63 1rz0 h ASP 122 CO 0.00 0.00 -0.67 -1.00 -1.57 0.00 0.00 179.24 176.00 1rz0 s HIS 123 N -4.25 1.37 -0.07 4.55 3.76 -0.67 -1.04 115.29 118.93 1rz0 s HIS 123 Ca -0.03 -0.95 0.05 0.00 -0.15 0.00 0.00 55.06 53.98 1rz0 s HIS 123 Cb 0.09 -0.78 -0.00 0.00 1.11 0.00 0.00 32.58 33.00 1rz0 s HIS 123 CO 0.31 -0.11 -0.23 0.99 -0.85 0.00 0.00 174.74 174.84 1rz0 s THR 124 N -3.53 1.97 -0.22 1.30 2.01 0.23 -0.47 115.64 116.94 1rz0 s THR 124 Ca 0.25 -1.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.07 1rz0 s THR 124 Cb 0.06 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 1rz0 s THR 124 CO 0.06 0.54 0.56 -0.76 -0.69 0.00 0.00 174.62 174.33 1rz0 s LEU 125 N 0.10 4.12 -0.36 4.42 1.43 0.27 -0.94 118.68 127.71 1rz0 s LEU 125 Ca -0.11 0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 53.59 1rz0 s LEU 125 Cb -0.15 -2.76 0.03 0.00 0.03 0.00 0.00 46.19 43.33 1rz0 s LEU 125 CO 0.06 -0.24 0.17 -0.36 0.23 0.00 0.00 176.35 176.21 1rz0 s PHE 126 N 1.92 3.25 -0.15 0.29 0.08 0.28 -1.28 117.98 122.37 1rz0 s PHE 126 Ca 0.25 -1.13 -0.24 0.00 0.12 0.00 0.00 56.93 55.93 1rz0 s PHE 126 Cb -0.16 -2.38 -0.02 0.00 -0.57 0.00 0.00 43.02 39.89 1rz0 s PHE 126 CO 0.10 -0.68 0.76 0.42 -0.10 0.00 0.00 175.22 175.71 1rz0 s ILE 127 N 1.50 4.95 -0.06 0.64 1.01 -0.68 -2.01 121.20 126.55 1rz0 s ILE 127 Ca 0.01 1.49 0.06 0.00 0.00 0.00 0.00 60.65 62.21 1rz0 s ILE 127 Cb -0.19 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 1rz0 s ILE 127 CO 0.05 0.10 -0.25 -0.83 0.00 0.00 0.00 174.94 174.02 1rz0 s GLY 128 N 1.08 1.31 -0.11 6.18 0.00 0.56 -0.94 107.32 115.40 1rz0 s GLY 128 Ca 0.36 -1.04 -0.20 0.00 0.00 0.00 0.00 44.72 43.84 1rz0 s GLY 128 CO 0.14 -0.63 0.56 1.85 0.00 0.00 0.00 173.10 175.02 1rz0 s GLU 129 N -0.14 4.36 -0.15 2.90 2.12 0.52 -0.49 118.70 127.81 1rz0 s GLU 129 Ca -0.04 0.60 -0.29 0.00 0.36 0.00 0.00 54.97 55.60 1rz0 s GLU 129 Cb -0.14 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 1rz0 s GLU 129 CO 0.04 0.08 0.98 0.08 -0.54 0.00 0.00 175.26 175.90 1rz0 s VAL 130 N 0.83 4.78 -0.15 3.70 1.01 -0.30 -0.89 120.40 129.37 1rz0 s VAL 130 Ca 0.30 1.96 0.16 0.00 0.00 0.00 0.00 61.98 64.40 1rz0 s VAL 130 Cb -0.16 -4.28 -0.23 0.00 0.00 0.00 0.00 36.38 31.71 1rz0 s VAL 130 CO 0.13 -0.04 0.12 0.35 0.00 0.00 0.00 175.10 175.66 1rz0 n THR 131 N 4.79 1.01 -3.72 3.92 -2.24 0.43 -4.89 114.28 113.58 1rz0 n THR 131 Ca 0.09 -0.70 -0.13 0.00 -2.27 0.00 0.00 64.05 61.04 1rz0 n THR 131 Cb 0.48 -0.43 -0.09 0.00 -2.10 0.00 0.00 70.33 68.19 1rz0 n THR 131 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1rz0 s ASP 132 N -5.01 -0.42 -0.00 3.42 1.01 -1.22 -5.02 116.67 109.43 1rz0 s ASP 132 Ca -0.08 0.75 0.02 0.00 0.71 0.00 0.00 52.55 53.95 1rz0 s ASP 132 Cb 0.06 0.78 -0.01 0.00 1.01 0.00 0.00 42.92 44.77 1rz0 s ASP 132 CO 0.74 -0.21 -0.06 -0.63 0.21 0.00 0.00 175.17 175.22 1rz0 s ILE 133 N -0.05 0.48 -0.03 0.77 1.01 -1.26 -0.78 121.20 121.34 1rz0 s ILE 133 Ca -0.02 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1rz0 s ILE 133 Cb -0.03 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 42.04 1rz0 s ILE 133 CO 0.01 0.13 -0.06 -0.75 0.00 0.00 0.00 174.94 174.27 1rz0 s LYS 134 N -0.17 0.86 0.04 2.79 2.47 0.29 -4.99 119.74 121.03 1rz0 s LYS 134 Ca 0.02 -0.19 0.06 0.00 -1.56 0.00 0.00 55.97 54.30 1rz0 s LYS 134 Cb -0.02 -0.82 -0.02 0.00 -1.46 0.00 0.00 37.83 35.50 1rz0 s LYS 134 CO -0.00 0.01 -0.18 0.42 0.16 0.00 0.00 175.35 175.76 1rz0 s ILE 135 N 0.53 1.48 0.33 5.43 1.01 -1.26 0.03 121.20 128.75 1rz0 s ILE 135 Ca -0.08 -1.14 0.04 0.00 0.00 0.00 0.00 60.65 59.47 1rz0 s ILE 135 Cb -0.11 -1.30 -0.06 0.00 0.01 0.00 0.00 42.46 41.00 1rz0 s ILE 135 CO 0.00 0.13 0.07 0.42 0.00 0.00 0.00 174.94 175.56 1rz0 s THR 136 N -0.82 1.10 -0.52 2.92 -4.23 -0.48 -5.00 115.64 108.60 1rz0 s THR 136 Ca 0.05 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1rz0 s THR 136 Cb -0.08 -2.74 0.57 0.00 1.34 0.00 0.00 72.50 71.59 1rz0 s THR 136 CO 0.02 0.00 1.92 -0.62 -0.54 0.00 0.00 174.62 175.40 1rz0 n GLU 137 N -0.70 2.43 -1.78 3.99 -0.58 -1.26 -4.87 120.64 117.86 1rz0 n GLU 137 Ca -0.03 -3.16 -0.30 0.00 -0.42 0.00 0.00 57.16 53.25 1rz0 n GLU 137 Cb 0.66 -2.20 0.04 0.00 -0.57 0.00 0.00 31.44 29.37 1rz0 n GLU 137 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1rz0 s GLN 138 N -3.51 2.98 0.34 3.49 -0.21 -1.26 -5.05 119.66 116.44 1rz0 s GLN 138 Ca 0.59 0.65 -0.21 0.00 0.02 0.00 0.00 55.36 56.42 1rz0 s GLN 138 Cb 0.49 -2.02 -0.10 0.00 1.00 0.00 0.00 33.01 32.38 1rz0 s GLN 138 CO 0.06 -0.99 0.86 -0.51 -2.12 0.00 0.00 175.29 172.58 1rz0 s ASP 139 N -4.15 7.03 0.18 5.90 1.01 -1.26 -4.97 116.67 120.42 1rz0 s ASP 139 Ca 0.58 1.59 -0.12 0.00 0.71 0.00 0.00 52.55 55.30 1rz0 s ASP 139 Cb -0.12 -2.49 -0.07 0.00 1.01 0.00 0.00 42.92 41.25 1rz0 s ASP 139 CO 0.53 -0.17 0.55 -2.16 0.21 0.00 0.00 175.17 174.13 1rz0 s PRO 140 N -2.60 3.89 0.13 8.23 0.04 -1.26 -0.25 135.00 143.18 1rz0 s PRO 140 Ca 0.53 0.38 -0.31 0.00 0.04 0.00 0.00 61.00 61.65 1rz0 s PRO 140 Cb -0.13 -2.80 -0.08 0.00 0.04 0.00 0.00 34.50 31.53 1rz0 s PRO 140 CO 0.18 0.40 1.31 -1.17 0.04 0.00 0.00 177.00 177.76 1rz0 s LEU 141 N -2.36 4.39 0.15 -3.56 2.96 -0.86 -4.11 118.68 115.28 1rz0 s LEU 141 Ca 0.42 2.27 0.08 0.00 -0.22 0.00 0.00 54.13 56.69 1rz0 s LEU 141 Cb -0.13 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1rz0 s LEU 141 CO 0.20 -0.55 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.81 1rz0 s LEU 142 N 0.62 2.95 -0.06 -0.68 1.43 -0.73 -3.18 118.68 119.04 1rz0 s LEU 142 Ca 0.60 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 1rz0 s LEU 142 Cb -0.35 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.19 1rz0 s LEU 142 CO 0.33 0.14 -0.10 0.12 0.23 0.00 0.00 176.35 177.07 1rz0 s PHE 143 N -1.47 1.23 -0.24 0.29 5.36 0.63 -0.72 117.98 123.06 1rz0 s PHE 143 Ca 0.23 -0.44 -0.15 0.00 -0.96 0.00 0.00 56.93 55.61 1rz0 s PHE 143 Cb -0.10 -0.95 0.07 0.00 -0.34 0.00 0.00 43.02 41.71 1rz0 s PHE 143 CO 0.14 -0.26 0.59 0.12 -1.46 0.00 0.00 175.22 174.36 1rz0 s PHE 144 N 0.78 -0.86 -1.50 10.12 5.36 -0.31 -1.37 117.98 130.20 1rz0 s PHE 144 Ca -0.13 1.80 -0.12 0.00 -0.96 0.00 0.00 56.93 57.52 1rz0 s PHE 144 Cb -0.15 0.46 0.07 0.00 -0.34 0.00 0.00 43.02 43.06 1rz0 s PHE 144 CO 0.02 -0.44 0.99 0.43 -1.46 0.00 0.00 175.22 174.76 1rz0 n SER 145 N 4.04 -4.71 0.00 6.13 7.64 0.10 -1.53 113.62 125.29 1rz0 n SER 145 Ca -0.20 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 58.93 1rz0 n SER 145 Cb 0.57 -4.04 0.00 0.00 -1.01 0.00 0.00 64.21 59.74 1rz0 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rz0 n GLY 146 N -1.72 0.45 3.24 0.23 0.00 -1.26 -5.01 105.19 101.11 1rz0 n GLY 146 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 1rz0 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rz0 s LYS 147 N -0.44 1.01 0.34 1.61 1.02 -0.58 -5.14 119.74 117.55 1rz0 s LYS 147 Ca 0.00 -1.23 -0.27 0.00 0.02 0.00 0.00 55.97 54.49 1rz0 s LYS 147 Cb 0.00 -0.87 -0.09 0.00 -0.52 0.00 0.00 37.83 36.35 1rz0 s LYS 147 CO 0.00 0.17 1.10 0.71 -0.92 0.00 0.00 175.35 176.40 1rz0 s TYR 148 N -2.16 3.39 0.25 3.18 2.02 -1.26 -1.16 117.35 121.62 1rz0 s TYR 148 Ca 0.08 1.66 -0.03 0.00 -0.37 0.00 0.00 57.07 58.41 1rz0 s TYR 148 Cb -0.05 -3.25 -0.02 0.00 -0.40 0.00 0.00 41.96 38.24 1rz0 s TYR 148 CO 0.03 -0.71 0.29 -1.01 -1.57 0.00 0.00 175.55 172.58 1rz0 s HIS 149 N -1.37 1.03 0.16 2.71 3.76 0.10 -4.94 115.29 116.74 1rz0 s HIS 149 Ca 0.51 -1.24 0.05 0.00 -0.15 0.00 0.00 55.06 54.23 1rz0 s HIS 149 Cb -0.28 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.04 1rz0 s HIS 149 CO 0.36 -0.83 -0.11 -0.65 -0.85 0.00 0.00 174.74 172.66 1rz0 s GLN 150 N -3.86 1.13 0.43 1.40 -0.21 -1.26 -1.77 119.66 115.53 1rz0 s GLN 150 Ca 0.34 -1.49 -0.25 0.00 0.02 0.00 0.00 55.36 53.98 1rz0 s GLN 150 Cb 0.03 -0.76 -0.08 0.00 1.00 0.00 0.00 33.01 33.20 1rz0 s GLN 150 CO 0.15 0.11 1.26 -0.51 -2.12 0.00 0.00 175.29 174.17 1rz0 s LEU 151 N -3.20 4.12 0.21 2.90 1.43 -1.26 -4.99 118.68 117.89 1rz0 s LEU 151 Ca 0.18 2.55 -0.30 0.00 -1.03 0.00 0.00 54.13 55.53 1rz0 s LEU 151 Cb 0.02 -4.04 -0.09 0.00 0.03 0.00 0.00 46.19 42.11 1rz0 s LEU 151 CO 0.02 -0.93 1.32 0.00 0.23 0.00 0.00 176.35 177.00 1rz0 s ALA 152 N -1.35 3.53 -2.97 4.21 0.00 -1.26 -5.12 121.76 118.82 1rz0 s ALA 152 Ca 0.60 1.13 0.24 0.00 0.00 0.00 0.00 51.96 53.94 1rz0 s ALA 152 Cb -0.35 -3.49 0.24 0.00 0.00 0.00 0.00 23.12 19.52 1rz0 s ALA 152 CO 0.44 -0.56 1.29 1.04 0.00 0.00 0.00 175.76 177.98