#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 0.91 -0.39 1.67 3.45 -2.05 -3.05 116.42 116.95 1rz0 h ASP 3 Ca 0.00 -0.25 0.00 0.00 0.43 0.00 0.00 57.03 57.21 1rz0 h ASP 3 Cb 0.00 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.51 1rz0 h ASP 3 CO 0.00 0.92 0.25 -0.09 -1.57 0.00 0.00 179.24 178.76 1rz0 h ARG 4 N 0.86 0.52 -0.56 3.56 2.43 -2.05 -0.04 114.38 119.10 1rz0 h ARG 4 Ca 0.18 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1rz0 h ARG 4 Cb 0.39 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1rz0 h ARG 4 CO 0.01 0.36 0.27 1.25 -1.51 0.00 0.00 179.97 180.35 1rz0 h LEU 5 N 0.53 0.73 0.15 3.80 5.85 -1.99 0.29 115.31 124.67 1rz0 h LEU 5 Ca 0.14 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1rz0 h LEU 5 Cb -0.04 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1rz0 h LEU 5 CO -0.03 0.65 -0.14 0.15 -0.34 0.00 0.00 178.44 178.74 1rz0 h PHE 6 N 0.76 -0.36 -0.65 1.25 3.57 -1.37 -0.97 116.94 119.18 1rz0 h PHE 6 Ca 0.19 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1rz0 h PHE 6 Cb 0.11 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1rz0 h PHE 6 CO -0.00 -0.21 0.40 0.00 -2.23 0.00 0.00 178.31 176.26 1rz0 h ARG 7 N -0.31 0.88 -0.27 1.11 3.08 -0.85 -2.32 114.38 115.70 1rz0 h ARG 7 Ca 0.00 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.01 1rz0 h ARG 7 Cb 0.29 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1rz0 h ARG 7 CO -0.03 0.62 0.07 -0.91 -1.07 0.00 0.00 179.97 178.66 1rz0 h ASN 8 N 0.89 0.06 0.00 7.04 2.35 -0.84 -1.13 115.58 123.94 1rz0 h ASN 8 Ca 0.23 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1rz0 h ASN 8 Cb -0.04 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1rz0 h ASN 8 CO -0.05 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 1rz0 n ALA 9 N -2.31 1.18 0.00 -0.83 0.00 -0.38 -2.71 120.51 115.46 1rz0 n ALA 9 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1rz0 n ALA 9 Cb 0.11 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 0.75 0.00 0.00 0.00 0.00 -0.43 -3.88 105.19 101.63 1rz0 n GLY 11 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.05 -3.19 1.61 4.76 -1.10 -0.48 118.16 119.82 1rz0 n LYS 12 Ca 0.00 0.09 -0.44 0.00 -2.87 0.00 0.00 58.31 55.09 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 -2.93 3.07 0.47 2.13 5.36 -1.25 -4.93 117.98 119.89 1rz0 s PHE 13 Ca 0.13 -0.55 -0.23 0.00 -0.96 0.00 0.00 56.93 55.32 1rz0 s PHE 13 Cb 0.16 -3.47 -0.07 0.00 -0.34 0.00 0.00 43.02 39.30 1rz0 s PHE 13 CO 0.42 -0.99 1.20 0.00 -1.46 0.00 0.00 175.22 174.39 1rz0 s ALA 14 N 2.52 2.97 0.16 11.12 0.00 -1.26 -4.87 121.76 132.40 1rz0 s ALA 14 Ca 0.14 1.00 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 1rz0 s ALA 14 Cb -0.19 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 1rz0 s ALA 14 CO 0.12 -0.76 0.21 0.95 0.00 0.00 0.00 175.76 176.28 1rz0 s THR 15 N -1.49 0.07 0.00 0.00 -4.23 -0.67 -5.00 115.64 104.31 1rz0 s THR 15 Ca 0.64 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1rz0 s THR 15 Cb -0.31 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.53 1rz0 s THR 15 CO 0.37 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 1rz0 n GLY 16 N -0.19 -2.12 2.83 3.99 0.00 -1.26 -0.45 105.19 107.99 1rz0 n GLY 16 Ca -0.05 -1.49 -0.14 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.91 -0.03 0.31 1.61 1.01 -1.20 -4.45 120.40 116.74 1rz0 s VAL 17 Ca 0.00 0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.20 1rz0 s VAL 17 Cb 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 36.38 36.25 1rz0 s VAL 17 CO 0.00 0.05 -0.12 0.42 0.00 0.00 0.00 175.10 175.45 1rz0 s THR 18 N 0.62 2.21 -0.15 3.92 -4.23 -0.20 -0.47 115.64 117.33 1rz0 s THR 18 Ca -0.05 -2.26 -0.00 0.00 -1.18 0.00 0.00 61.69 58.20 1rz0 s THR 18 Cb -0.07 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 1rz0 s THR 18 CO -0.02 -0.29 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.94 1rz0 s VAL 19 N -2.65 2.81 -0.08 2.29 1.01 0.01 -1.06 120.40 122.72 1rz0 s VAL 19 Ca 0.31 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.35 1rz0 s VAL 19 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1rz0 s VAL 19 CO 0.15 0.51 0.60 -0.63 0.00 0.00 0.00 175.10 175.74 1rz0 s ILE 20 N 0.70 5.10 0.14 2.22 -1.09 -1.26 -0.81 121.20 126.20 1rz0 s ILE 20 Ca -0.07 1.23 0.09 0.00 -2.23 0.00 0.00 60.65 59.68 1rz0 s ILE 20 Cb -0.15 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1rz0 s ILE 20 CO 0.02 0.29 -0.21 0.42 -1.23 0.00 0.00 174.94 174.23 1rz0 s THR 21 N 0.68 1.88 0.28 2.92 -4.23 -0.33 -4.10 115.64 112.75 1rz0 s THR 21 Ca 0.32 -1.77 -0.11 0.00 -1.18 0.00 0.00 61.69 58.96 1rz0 s THR 21 Cb -0.17 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 71.90 1rz0 s THR 21 CO 0.15 -0.15 0.50 0.28 -0.54 0.00 0.00 174.62 174.85 1rz0 s THR 22 N -1.55 0.00 -0.06 3.99 -1.32 0.09 -0.80 115.64 116.00 1rz0 s THR 22 Ca 0.12 -1.43 0.02 0.00 -1.21 0.00 0.00 61.69 59.20 1rz0 s THR 22 Cb -0.08 -2.36 0.01 0.00 -1.51 0.00 0.00 72.50 68.56 1rz0 s THR 22 CO 0.06 0.00 -0.12 -0.70 -2.21 0.00 0.00 174.62 171.65 1rz0 s GLU 23 N -3.68 1.56 -0.27 7.08 2.12 -1.26 -0.72 118.70 123.53 1rz0 s GLU 23 Ca 0.24 -0.41 -0.03 0.00 0.36 0.00 0.00 54.97 55.14 1rz0 s GLU 23 Cb -0.01 -1.32 0.09 0.00 0.26 0.00 0.00 34.13 33.15 1rz0 s GLU 23 CO 0.12 0.06 0.10 -1.17 -0.54 0.00 0.00 175.26 173.83 1rz0 s LEU 24 N 0.53 1.30 -0.99 2.70 2.96 -0.33 -4.81 118.68 120.04 1rz0 s LEU 24 Ca -0.11 -1.29 -0.12 0.00 -0.22 0.00 0.00 54.13 52.39 1rz0 s LEU 24 Cb -0.14 -0.59 -0.01 0.00 0.50 0.00 0.00 46.19 45.95 1rz0 s LEU 24 CO 0.03 -0.40 0.74 0.59 -1.32 0.00 0.00 176.35 175.99 1rz0 n ASN 25 N 5.06 -5.80 0.00 3.68 3.02 -1.26 -2.78 115.26 117.18 1rz0 n ASN 25 Ca -0.05 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 1rz0 n ASN 25 Cb 0.43 -3.49 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 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 2.07 3.71 7.41 0.00 -1.26 -5.00 105.19 110.44 1rz0 n GLY 26 Ca -0.12 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.21 3.28 -0.11 4.61 0.00 -1.12 -5.03 121.76 123.19 1rz0 s ALA 27 Ca 0.00 0.70 -0.20 0.00 0.00 0.00 0.00 51.96 52.45 1rz0 s ALA 27 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1rz0 s ALA 27 CO 0.00 -0.30 0.58 0.08 0.00 0.00 0.00 175.76 176.12 1rz0 s VAL 28 N 0.86 5.11 0.01 0.00 1.01 -1.26 -1.19 120.40 124.94 1rz0 s VAL 28 Ca 0.54 1.17 0.08 0.00 0.00 0.00 0.00 61.98 63.77 1rz0 s VAL 28 Cb -0.26 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1rz0 s VAL 28 CO 0.29 0.27 -0.26 -1.00 0.00 0.00 0.00 175.10 174.40 1rz0 s HIS 29 N 0.86 2.29 0.08 5.22 3.76 0.10 -5.00 115.29 122.61 1rz0 s HIS 29 Ca 0.31 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 54.80 1rz0 s HIS 29 Cb -0.16 -1.43 -0.00 0.00 1.11 0.00 0.00 32.58 32.09 1rz0 s HIS 29 CO 0.13 0.03 0.03 0.41 -0.85 0.00 0.00 174.74 174.49 1rz0 n GLY 30 N 2.17 3.91 3.42 -2.22 0.00 -1.26 -0.73 105.19 110.48 1rz0 n GLY 30 Ca -0.16 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.92 3.44 -0.05 2.61 2.01 0.14 -4.93 115.64 116.94 1rz0 s THR 32 Ca 0.05 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 1rz0 s THR 32 Cb 0.00 -2.49 0.01 0.00 0.01 0.00 0.00 72.50 70.04 1rz0 s THR 32 CO 0.03 0.50 0.14 0.00 -0.69 0.00 0.00 174.62 174.60 1rz0 s ALA 33 N 0.50 -0.35 -0.56 7.40 0.00 -0.22 -4.87 121.76 123.66 1rz0 s ALA 33 Ca -0.06 0.41 0.09 0.00 0.00 0.00 0.00 51.96 52.39 1rz0 s ALA 33 Cb -0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 23.12 22.67 1rz0 s ALA 33 CO 0.03 -0.07 0.45 0.27 0.00 0.00 0.00 175.76 176.45 1rz0 n ASN 34 N 3.05 0.69 -4.18 0.00 6.94 -1.26 -1.04 115.26 119.46 1rz0 n ASN 34 Ca -0.13 -0.84 -0.43 0.00 -0.02 0.00 0.00 54.58 53.16 1rz0 n ASN 34 Cb 0.59 0.79 0.00 0.00 -2.36 0.00 0.00 39.78 38.80 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 -0.84 4.50 -2.35 -2.53 0.00 -1.26 -4.91 120.51 113.12 1rz0 n ALA 35 Ca 0.02 -3.91 -0.20 0.00 0.00 0.00 0.00 53.44 49.36 1rz0 n ALA 35 Cb 0.15 -3.52 -0.09 0.00 0.00 0.00 0.00 19.45 15.99 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 3.47 1.65 0.09 0.00 5.36 -1.26 -1.58 117.98 125.70 1rz0 s PHE 36 Ca 0.50 -1.42 -0.30 0.00 -0.96 0.00 0.00 56.93 54.74 1rz0 s PHE 36 Cb 0.08 -0.86 -0.05 0.00 -0.34 0.00 0.00 43.02 41.85 1rz0 s PHE 36 CO 0.00 -0.57 1.00 0.45 -1.46 0.00 0.00 175.22 174.64 1rz0 s SER 38 N -3.40 7.42 -0.05 6.13 0.15 -1.26 -5.02 113.70 117.67 1rz0 s SER 38 Ca 0.35 1.82 -0.05 0.00 0.70 0.00 0.00 55.95 58.77 1rz0 s SER 38 Cb 0.04 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1rz0 s SER 38 CO 0.19 -0.15 -0.12 0.52 1.20 0.00 0.00 173.24 174.88 1rz0 n VAL 39 N 3.03 0.87 -3.84 4.45 0.31 -0.05 -4.91 118.33 118.19 1rz0 n VAL 39 Ca 0.04 0.07 -0.12 0.00 -0.01 0.00 0.00 64.34 64.31 1rz0 n VAL 39 Cb 0.49 -1.72 -0.11 0.00 -0.91 0.00 0.00 33.84 31.59 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 -5.89 -0.08 -0.16 4.52 0.15 -0.83 -4.95 113.70 106.46 1rz0 s SER 40 Ca -0.12 0.07 -0.13 0.00 0.70 0.00 0.00 55.95 56.47 1rz0 s SER 40 Cb 0.03 0.28 -0.23 0.00 -1.71 0.00 0.00 66.02 64.40 1rz0 s SER 40 CO 0.15 -0.23 0.29 -0.11 1.20 0.00 0.00 173.24 174.55 1rz0 n LEU 41 N 2.18 2.30 -3.84 3.45 7.94 -1.26 -0.69 117.00 127.08 1rz0 n LEU 41 Ca -0.18 0.30 -0.30 0.00 -1.11 0.00 0.00 56.01 54.72 1rz0 n LEU 41 Cb 0.57 -1.05 -0.15 0.00 0.53 0.00 0.00 43.42 43.32 1rz0 n LEU 41 CO 0.21 0.61 -0.33 0.20 -1.11 0.00 0.00 177.39 176.97 1rz0 s ASN 42 N -6.97 4.30 0.92 1.96 0.01 -1.26 -2.15 114.94 111.74 1rz0 s ASN 42 Ca -0.25 -1.85 -0.13 0.00 -0.71 0.00 0.00 52.86 49.91 1rz0 s ASN 42 Cb 0.06 -1.15 0.15 0.00 0.41 0.00 0.00 41.25 40.72 1rz0 s ASN 42 CO 0.69 -0.40 1.18 -2.16 -1.51 0.00 0.00 177.10 174.90 1rz0 s PRO 43 N 1.33 1.08 -0.68 -0.60 0.04 -1.26 -5.06 135.00 129.85 1rz0 s PRO 43 Ca 0.10 0.10 -0.27 0.00 0.04 0.00 0.00 61.00 60.98 1rz0 s PRO 43 Cb -0.18 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1rz0 s PRO 43 CO -0.19 -2.20 1.50 0.15 0.04 0.00 0.00 177.00 176.30 1rz0 s LYS 44 N -5.46 3.01 0.13 4.56 1.02 -0.91 -4.49 119.74 117.59 1rz0 s LYS 44 Ca 0.66 0.13 0.09 0.00 0.02 0.00 0.00 55.97 56.87 1rz0 s LYS 44 Cb -0.12 -4.25 -0.04 0.00 -0.52 0.00 0.00 37.83 32.91 1rz0 s LYS 44 CO 0.52 -2.33 -0.22 -0.51 -0.92 0.00 0.00 175.35 171.89 1rz0 s LEU 45 N 6.93 2.34 0.14 3.17 1.43 0.13 -1.02 118.68 131.81 1rz0 s LEU 45 Ca 0.48 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1rz0 s LEU 45 Cb -0.10 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 1rz0 s LEU 45 CO 0.18 0.08 0.08 -0.69 0.23 0.00 0.00 176.35 176.23 1rz0 s VAL 46 N -1.30 0.09 -0.06 -1.59 1.01 0.23 -0.87 120.40 117.91 1rz0 s VAL 46 Ca 0.11 -1.88 -0.07 0.00 0.00 0.00 0.00 61.98 60.13 1rz0 s VAL 46 Cb -0.09 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1rz0 s VAL 46 CO 0.06 -0.41 0.19 -0.22 0.00 0.00 0.00 175.10 174.72 1rz0 s LEU 47 N -3.05 1.28 0.10 3.92 0.20 -1.26 -0.74 118.68 119.13 1rz0 s LEU 47 Ca 0.25 0.26 0.06 0.00 0.69 0.00 0.00 54.13 55.39 1rz0 s LEU 47 Cb 0.07 0.72 -0.03 0.00 -0.43 0.00 0.00 46.19 46.52 1rz0 s LEU 47 CO 0.03 -0.15 -0.15 0.54 -0.29 0.00 0.00 176.35 176.33 1rz0 s VAL 48 N -0.27 1.26 -0.18 1.68 0.11 -0.81 -4.35 120.40 117.83 1rz0 s VAL 48 Ca -0.04 -1.53 0.01 0.00 -2.93 0.00 0.00 61.98 57.50 1rz0 s VAL 48 Cb -0.03 -1.33 0.02 0.00 -1.53 0.00 0.00 36.38 33.51 1rz0 s VAL 48 CO 0.01 -0.31 -0.19 -0.55 -3.33 0.00 0.00 175.10 170.73 1rz0 s SER 49 N -2.11 3.14 -0.08 3.54 0.15 -0.62 -0.80 113.70 116.92 1rz0 s SER 49 Ca 0.04 -0.67 0.04 0.00 0.70 0.00 0.00 55.95 56.06 1rz0 s SER 49 Cb -0.07 -1.44 -0.01 0.00 -1.71 0.00 0.00 66.02 62.78 1rz0 s SER 49 CO 0.03 -0.02 -0.20 -0.63 1.20 0.00 0.00 173.24 173.62 1rz0 s ILE 50 N 1.31 2.46 0.45 6.45 1.01 -0.21 -4.79 121.20 127.88 1rz0 s ILE 50 Ca 0.04 -0.91 -0.24 0.00 0.00 0.00 0.00 60.65 59.54 1rz0 s ILE 50 Cb -0.13 -1.95 -0.07 0.00 0.01 0.00 0.00 42.46 40.31 1rz0 s ILE 50 CO -0.12 0.56 1.28 -0.83 0.00 0.00 0.00 174.94 175.83 1rz0 s GLY 51 N -0.07 2.87 0.59 6.18 0.00 -1.26 -0.47 107.32 115.16 1rz0 s GLY 51 Ca -0.05 1.17 0.33 0.00 0.00 0.00 0.00 44.72 46.18 1rz0 s GLY 51 CO 0.04 1.71 2.22 1.05 0.00 0.00 0.00 173.10 178.12 1rz0 h GLU 52 N 2.22 0.00 -0.01 2.90 4.11 -1.48 -1.48 114.58 120.83 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 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1rz0 h GLU 52 CO 0.61 0.03 -0.30 1.63 0.07 0.00 0.00 179.01 181.04 1rz0 n LYS 53 N -3.56 0.80 -2.50 1.06 4.01 -1.26 -4.93 118.16 111.78 1rz0 n LYS 53 Ca -0.02 -0.50 -0.41 0.00 -0.51 0.00 0.00 58.31 56.86 1rz0 n LYS 53 Cb 0.13 -1.49 -0.04 0.00 -0.51 0.00 0.00 35.03 33.13 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 -2.54 3.36 0.00 7.82 0.00 -0.56 -5.02 121.76 124.82 1rz0 s ALA 54 Ca 0.23 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1rz0 s ALA 54 Cb 0.19 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1rz0 s ALA 54 CO 0.54 -0.27 0.00 1.63 0.00 0.00 0.00 175.76 177.66 1rz0 n LYS 55 N 2.92 0.00 0.00 0.00 5.02 -1.26 -4.31 118.16 120.54 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 0.47 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 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 1.86 0.00 0.04 -0.35 0.00 -1.26 -2.98 117.00 114.32 1rz0 n LEU 57 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 56.01 56.02 1rz0 n LEU 57 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 43.42 43.75 1rz0 n LEU 57 CO 0.00 0.00 0.91 1.05 0.00 0.00 0.00 177.39 179.35 1rz0 h GLU 58 N 0.00 0.42 -0.47 1.96 9.09 -1.96 -1.44 114.58 122.17 1rz0 h GLU 58 Ca 0.00 -0.09 0.05 0.00 0.05 0.00 0.00 59.36 59.37 1rz0 h GLU 58 Cb 0.00 -0.06 -0.05 0.00 -1.65 0.00 0.00 28.75 26.99 1rz0 h GLU 58 CO 0.00 0.49 0.19 0.87 0.05 0.00 0.00 179.01 180.62 1rz0 h LYS 59 N 0.40 0.38 -0.19 1.06 1.79 -1.89 -1.11 116.57 117.00 1rz0 h LYS 59 Ca 0.08 -0.02 -0.21 0.00 -2.18 0.00 0.00 60.65 58.32 1rz0 h LYS 59 Cb 0.36 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1rz0 h LYS 59 CO 0.02 0.25 -0.70 0.82 -1.08 0.00 0.00 179.45 178.75 1rz0 h ILE 60 N 0.39 1.28 -0.94 1.86 2.04 -1.79 -1.49 117.51 118.86 1rz0 h ILE 60 Ca 0.22 -1.91 0.15 0.00 1.00 0.00 0.00 64.86 64.31 1rz0 h ILE 60 Cb 0.19 1.88 -0.09 0.00 -0.74 0.00 0.00 36.82 38.05 1rz0 h ILE 60 CO -0.19 0.61 0.56 1.56 0.00 0.00 0.00 178.15 180.68 1rz0 h GLN 61 N 0.56 0.78 0.01 2.37 4.20 -0.94 0.33 115.11 122.42 1rz0 h GLN 61 Ca -0.03 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1rz0 h GLN 61 Cb 1.32 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.92 1rz0 h GLN 61 CO 0.15 0.52 -0.00 1.96 -0.67 0.00 0.00 178.83 180.78 1rz0 h GLN 62 N 0.80 -0.01 0.00 1.46 4.20 -1.14 -3.35 115.11 117.07 1rz0 h GLN 62 Ca 0.50 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 59.14 1rz0 h GLN 62 Cb 0.64 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1rz0 h GLN 62 CO -0.33 0.80 -0.33 0.66 -0.67 0.00 0.00 178.83 178.96 1rz0 h SER 63 N -0.89 0.00 -3.64 1.46 4.64 -1.14 -3.47 113.55 110.52 1rz0 h SER 63 Ca -0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1rz0 h SER 63 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 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 -3.44 -2.24 -3.65 4.77 4.76 0.12 -4.96 118.16 113.52 1rz0 n LYS 64 Ca 0.00 0.77 -0.11 0.00 -2.87 0.00 0.00 58.31 56.10 1rz0 n LYS 64 Cb 0.51 -5.41 -0.05 0.00 -1.84 0.00 0.00 35.03 28.23 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 -5.12 1.00 -0.01 1.97 -2.85 -1.26 -1.25 119.74 112.22 1rz0 s LYS 65 Ca 0.04 -0.58 -0.29 0.00 -1.00 0.00 0.00 55.97 54.15 1rz0 s LYS 65 Cb -0.02 0.44 0.08 0.00 -2.06 0.00 0.00 37.83 36.27 1rz0 s LYS 65 CO 0.05 -0.37 0.71 1.52 0.10 0.00 0.00 175.35 177.36 1rz0 s TYR 66 N -3.26 -0.57 0.07 1.78 -0.85 -0.73 -4.77 117.35 109.02 1rz0 s TYR 66 Ca -0.00 0.79 0.06 0.00 -0.52 0.00 0.00 57.07 57.40 1rz0 s TYR 66 Cb 0.01 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.78 1rz0 s TYR 66 CO -0.08 -0.63 -0.11 0.00 -1.52 0.00 0.00 175.55 173.21 1rz0 s ALA 67 N -2.00 2.91 -0.24 9.51 0.00 0.02 -0.34 121.76 131.63 1rz0 s ALA 67 Ca -0.05 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 50.67 1rz0 s ALA 67 Cb -0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 1rz0 s ALA 67 CO 0.01 0.62 -0.00 0.08 0.00 0.00 0.00 175.76 176.48 1rz0 s VAL 68 N -1.12 3.65 -0.42 0.00 1.01 0.85 -1.18 120.40 123.18 1rz0 s VAL 68 Ca 0.19 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 1rz0 s VAL 68 Cb -0.11 -2.71 0.09 0.00 0.00 0.00 0.00 36.38 33.64 1rz0 s VAL 68 CO 0.11 0.34 0.26 0.20 0.00 0.00 0.00 175.10 176.01 1rz0 s ASN 69 N 1.50 5.59 -0.02 3.32 0.01 0.01 -1.31 114.94 124.05 1rz0 s ASN 69 Ca 0.05 -1.60 -0.30 0.00 -0.71 0.00 0.00 52.86 50.30 1rz0 s ASN 69 Cb -0.15 -1.97 -0.04 0.00 0.41 0.00 0.00 41.25 39.51 1rz0 s ASN 69 CO -0.01 -0.55 1.16 -0.63 -1.51 0.00 0.00 177.10 175.56 1rz0 s ILE 70 N 1.38 4.30 0.07 0.60 1.01 -0.06 -0.81 121.20 127.70 1rz0 s ILE 70 Ca 0.04 1.64 -0.23 0.00 0.00 0.00 0.00 60.65 62.09 1rz0 s ILE 70 Cb -0.23 -4.05 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 1rz0 s ILE 70 CO 0.01 0.05 0.70 -0.76 0.00 0.00 0.00 174.94 174.93 1rz0 s LEU 71 N 1.74 4.49 0.75 2.97 1.43 0.38 0.06 118.68 130.51 1rz0 s LEU 71 Ca 0.56 1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 1rz0 s LEU 71 Cb -0.25 -3.12 0.04 0.00 0.03 0.00 0.00 46.19 42.89 1rz0 s LEU 71 CO 0.24 0.13 1.10 -0.94 0.23 0.00 0.00 176.35 177.11 1rz0 s SER 72 N -0.54 4.95 0.58 2.29 1.04 -1.26 -2.03 113.70 118.73 1rz0 s SER 72 Ca 0.34 1.20 0.31 0.00 0.48 0.00 0.00 55.95 58.28 1rz0 s SER 72 Cb -0.20 -1.95 1.39 0.00 0.10 0.00 0.00 66.02 65.35 1rz0 s SER 72 CO 0.22 -1.66 1.74 -0.61 0.98 0.00 0.00 173.24 173.91 1rz0 h GLN 73 N -0.88 0.00 -0.28 4.02 4.15 -0.97 -2.10 115.11 119.06 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 -3.74 1.80 -0.35 -0.69 8.00 -1.26 -4.39 116.55 115.92 1rz0 n ASP 74 Ca 0.17 -1.89 0.08 0.00 0.71 0.00 0.00 54.79 53.86 1rz0 n ASP 74 Cb 1.03 -0.19 0.16 0.00 -0.02 0.00 0.00 41.12 42.11 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 0.45 1.35 -0.32 -1.24 6.02 -0.79 -4.70 117.38 118.15 1rz0 n GLN 75 Ca 0.13 -2.84 0.06 0.00 -0.01 0.00 0.00 57.00 54.34 1rz0 n GLN 75 Cb 0.31 -1.49 0.21 0.00 1.02 0.00 0.00 30.24 30.29 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 0.46 0.82 -0.88 -1.09 3.64 -1.77 -1.81 116.57 115.94 1rz0 h LYS 76 Ca -0.01 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1rz0 h LYS 76 Cb 1.03 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.63 1rz0 h LYS 76 CO 0.00 0.54 0.48 0.28 -2.27 0.00 0.00 179.45 178.49 1rz0 h VAL 77 N 0.84 1.26 -0.42 2.00 2.07 -1.96 -2.34 116.25 117.69 1rz0 h VAL 77 Ca 0.46 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1rz0 h VAL 77 Cb 0.49 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1rz0 h VAL 77 CO -0.28 0.29 0.26 -0.07 0.02 0.00 0.00 177.57 177.79 1rz0 h LEU 78 N 1.24 0.42 -0.93 2.57 3.38 -1.71 0.58 115.31 120.87 1rz0 h LEU 78 Ca 0.31 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1rz0 h LEU 78 Cb 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1rz0 h LEU 78 CO -0.05 0.30 0.00 -0.24 0.09 0.00 0.00 178.44 178.55 1rz0 n SER 79 N -4.84 0.00 0.00 -0.43 2.88 -0.81 -1.22 113.62 109.20 1rz0 n SER 79 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1rz0 n SER 79 Cb 0.05 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 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 0.32 0.00 0.00 -3.46 5.15 0.20 -1.81 115.26 115.66 1rz0 n ASN 81 Ca 0.00 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.12 1rz0 n ASN 81 Cb 0.00 0.00 0.83 0.00 -0.53 0.00 0.00 39.78 40.08 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 0.25 1.20 3.72 -0.36 -2.09 117.46 120.18 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 0.21 0.00 -0.94 0.00 0.00 39.48 38.75 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 -0.97 2.40 -1.78 4.37 0.00 -0.75 -0.68 120.51 123.10 1rz0 n ALA 83 Ca 0.21 -1.00 -0.11 0.00 0.00 0.00 0.00 53.44 52.54 1rz0 n ALA 83 Cb 0.10 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 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 1.41 0.54 0.37 0.00 0.00 -0.89 -4.92 105.19 101.69 1rz0 n GLY 84 Ca 0.18 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.35 0.94 -4.05 1.61 6.02 -1.26 -4.88 117.38 113.41 1rz0 n GLN 85 Ca -0.12 -0.74 -0.36 0.00 -0.01 0.00 0.00 57.00 55.77 1rz0 n GLN 85 Cb 0.48 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 30.19 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 -2.57 4.09 0.26 1.08 1.43 -1.26 -4.95 118.68 116.76 1rz0 s LEU 86 Ca 0.18 0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.58 1rz0 s LEU 86 Cb 0.18 -1.98 0.31 0.00 0.03 0.00 0.00 46.19 44.73 1rz0 s LEU 86 CO 0.60 0.39 1.83 -0.33 0.23 0.00 0.00 176.35 179.08 1rz0 h GLU 87 N 5.13 1.04 -4.45 1.70 4.39 -2.00 -3.41 114.58 116.98 1rz0 h GLU 87 Ca -0.53 -0.17 -0.54 0.00 0.34 0.00 0.00 59.36 58.46 1rz0 h GLU 87 Cb 1.21 -0.18 -0.35 0.00 -0.10 0.00 0.00 28.75 29.33 1rz0 h GLU 87 CO 0.57 0.84 -0.81 0.21 -1.16 0.00 0.00 179.01 178.66 1rz0 s LYS 88 N -5.50 1.78 0.31 2.33 2.20 -1.26 -5.12 119.74 114.49 1rz0 s LYS 88 Ca -0.11 -0.38 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 1rz0 s LYS 88 Cb 0.16 -1.65 -0.11 0.00 -1.51 0.00 0.00 37.83 34.72 1rz0 s LYS 88 CO 0.82 -0.15 1.57 -2.14 -0.36 0.00 0.00 175.35 175.09 1rz0 s PRO 89 N 1.27 4.12 0.69 4.03 0.02 -1.26 -4.99 135.00 138.88 1rz0 s PRO 89 Ca -0.02 2.58 -0.11 0.00 0.02 0.00 0.00 61.00 63.46 1rz0 s PRO 89 Cb -0.14 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1rz0 s PRO 89 CO -0.04 -0.61 1.07 0.14 -0.33 0.00 0.00 177.00 177.22 1rz0 s VAL 90 N -0.24 3.96 -0.51 3.83 -7.23 -1.26 -5.01 120.40 113.96 1rz0 s VAL 90 Ca 0.61 0.64 -0.22 0.00 -1.81 0.00 0.00 61.98 61.20 1rz0 s VAL 90 Cb -0.47 -3.52 0.04 0.00 0.56 0.00 0.00 36.38 32.98 1rz0 s VAL 90 CO 0.51 -0.83 0.78 -0.62 -0.31 0.00 0.00 175.10 174.63 1rz0 s ASP 91 N -4.07 6.32 -0.03 4.85 2.15 -1.26 -5.01 116.67 119.61 1rz0 s ASP 91 Ca 0.58 -0.47 -0.15 0.00 0.43 0.00 0.00 52.55 52.93 1rz0 s ASP 91 Cb -0.12 -2.37 -0.05 0.00 -0.30 0.00 0.00 42.92 40.07 1rz0 s ASP 91 CO 0.54 -1.02 0.40 -0.69 -0.17 0.00 0.00 175.17 174.23 1rz0 s VAL 92 N 3.31 5.08 -0.48 1.11 1.01 -1.26 -5.04 120.40 124.13 1rz0 s VAL 92 Ca 0.25 0.81 -0.24 0.00 0.00 0.00 0.00 61.98 62.80 1rz0 s VAL 92 Cb -0.15 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.55 1rz0 s VAL 92 CO 0.18 0.54 0.87 -1.10 0.00 0.00 0.00 175.10 175.59 1rz0 s GLN 93 N -0.75 3.44 -0.02 2.72 -1.52 -1.26 -5.04 119.66 117.23 1rz0 s GLN 93 Ca 0.23 -0.04 -0.02 0.00 -1.95 0.00 0.00 55.36 53.58 1rz0 s GLN 93 Cb -0.16 -3.96 -0.04 0.00 -0.22 0.00 0.00 33.01 28.63 1rz0 s GLN 93 CO 0.12 -1.24 0.13 -0.06 -0.25 0.00 0.00 175.29 173.99 1rz0 s PHE 94 N 3.61 3.42 0.00 0.91 0.40 -1.26 -1.60 117.98 123.46 1rz0 s PHE 94 Ca 0.33 0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 1rz0 s PHE 94 Cb -0.11 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1rz0 s PHE 94 CO 0.23 0.61 0.00 -0.85 0.70 0.00 0.00 175.22 175.91 1rz0 n GLU 95 N 1.19 2.08 -4.26 0.44 0.28 0.52 -4.87 120.64 116.03 1rz0 n GLU 95 Ca -0.13 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.69 1rz0 n GLU 95 Cb 0.53 0.00 -0.15 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 0.14 0.70 -0.18 3.44 2.12 -1.26 -0.45 118.70 123.20 1rz0 s GLU 96 Ca 0.00 -0.22 -0.07 0.00 0.36 0.00 0.00 54.97 55.03 1rz0 s GLU 96 Cb 0.00 -0.68 0.08 0.00 0.26 0.00 0.00 34.13 33.79 1rz0 s GLU 96 CO 0.00 0.09 0.40 -1.17 -0.54 0.00 0.00 175.26 174.04 1rz0 s LEU 97 N 0.16 -0.41 -1.43 2.70 2.96 -0.01 -4.90 118.68 117.76 1rz0 s LEU 97 Ca -0.02 0.92 -0.11 0.00 -0.22 0.00 0.00 54.13 54.70 1rz0 s LEU 97 Cb -0.07 1.28 0.07 0.00 0.50 0.00 0.00 46.19 47.98 1rz0 s LEU 97 CO -0.00 -0.22 0.69 0.61 -1.32 0.00 0.00 176.35 176.11 1rz0 n GLY 98 N 4.97 -0.49 2.40 7.98 0.00 -1.26 -1.32 105.19 117.48 1rz0 n GLY 98 Ca -0.14 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.41 0.77 3.54 -0.02 0.00 -1.26 -4.95 105.19 101.86 1rz0 n GLY 99 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 2.98 0.15 0.99 1.43 -0.43 -4.95 118.68 118.84 1rz0 s LEU 100 Ca 0.00 -0.20 -0.31 0.00 -1.03 0.00 0.00 54.13 52.59 1rz0 s LEU 100 Cb 0.00 -1.70 -0.08 0.00 0.03 0.00 0.00 46.19 44.44 1rz0 s LEU 100 CO 0.00 0.30 1.38 -2.16 0.23 0.00 0.00 176.35 176.09 1rz0 s PRO 101 N -1.24 4.33 0.16 1.29 0.04 -1.26 -0.83 135.00 137.49 1rz0 s PRO 101 Ca 0.15 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.34 1rz0 s PRO 101 Cb -0.11 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1rz0 s PRO 101 CO 0.05 -0.39 -0.11 0.14 0.04 0.00 0.00 177.00 176.73 1rz0 s VAL 102 N 0.76 1.30 -0.18 -0.36 -7.23 0.40 -4.69 120.40 110.40 1rz0 s VAL 102 Ca 0.62 -2.07 -0.18 0.00 -1.81 0.00 0.00 61.98 58.55 1rz0 s VAL 102 Cb -0.37 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1rz0 s VAL 102 CO 0.33 -0.69 0.49 -0.63 -0.31 0.00 0.00 175.10 174.28 1rz0 s ILE 103 N -3.17 5.14 0.35 -0.62 1.01 -1.26 -0.35 121.20 122.30 1rz0 s ILE 103 Ca 0.17 0.90 -0.28 0.00 0.00 0.00 0.00 60.65 61.44 1rz0 s ILE 103 Cb 0.01 -3.81 -0.12 0.00 0.01 0.00 0.00 42.46 38.55 1rz0 s ILE 103 CO 0.02 0.22 1.45 1.17 0.00 0.00 0.00 174.94 177.81 1rz0 n LYS 104 N 4.49 2.53 -1.00 2.79 4.81 -0.63 -2.61 118.16 128.55 1rz0 n LYS 104 Ca -0.06 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 1rz0 n LYS 104 Cb 0.51 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.97 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 0.81 -4.59 -4.66 3.14 8.00 -1.26 -4.99 116.55 113.00 1rz0 n ASP 105 Ca 0.03 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.16 1rz0 n ASP 105 Cb 0.38 -2.14 0.06 0.00 -0.02 0.00 0.00 41.12 39.40 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 1.00 0.51 -0.27 2.24 0.00 -1.07 -4.73 120.51 118.19 1rz0 n ALA 106 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.46 1rz0 n ALA 106 Cb 0.27 -2.19 0.16 0.00 0.00 0.00 0.00 19.45 17.69 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 0.42 0.56 -7.37 0.00 5.85 -0.64 -3.44 115.31 110.70 1rz0 h LEU 107 Ca -0.49 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.21 1rz0 h LEU 107 Cb 1.36 -0.04 -0.17 0.00 0.37 0.00 0.00 40.66 42.18 1rz0 h LEU 107 CO 0.51 0.31 -0.10 0.00 -0.34 0.00 0.00 178.44 178.82 1rz0 s ALA 108 N -6.04 -1.03 -0.05 1.25 0.00 -1.06 -1.40 121.76 113.43 1rz0 s ALA 108 Ca -0.12 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.22 1rz0 s ALA 108 Cb 0.19 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1rz0 s ALA 108 CO 0.77 -0.44 -0.10 -0.65 0.00 0.00 0.00 175.76 175.35 1rz0 s GLN 109 N -2.31 1.35 -0.15 0.00 -0.21 0.67 -0.88 119.66 118.13 1rz0 s GLN 109 Ca -0.06 -0.33 -0.03 0.00 0.02 0.00 0.00 55.36 54.96 1rz0 s GLN 109 Cb -0.01 -1.18 0.05 0.00 1.00 0.00 0.00 33.01 32.87 1rz0 s GLN 109 CO -0.01 0.03 0.04 0.42 -2.12 0.00 0.00 175.29 173.65 1rz0 s ILE 110 N 0.59 0.31 -0.14 1.08 1.01 -0.42 -0.75 121.20 122.88 1rz0 s ILE 110 Ca -0.11 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.22 1rz0 s ILE 110 Cb -0.14 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 1rz0 s ILE 110 CO 0.02 -0.08 0.14 -0.44 0.00 0.00 0.00 174.94 174.58 1rz0 s SER 111 N 1.97 6.35 0.03 3.58 0.01 -0.05 -0.11 113.70 125.48 1rz0 s SER 111 Ca 0.02 0.41 0.02 0.00 1.31 0.00 0.00 55.95 57.71 1rz0 s SER 111 Cb -0.15 -2.08 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 1rz0 s SER 111 CO -0.07 0.35 -0.07 0.00 0.41 0.00 0.00 173.24 173.86 1rz0 s GLN 113 N -1.31 3.72 0.02 0.00 -1.52 -0.15 -1.77 119.66 118.65 1rz0 s GLN 113 Ca -0.08 -0.45 -0.30 0.00 -1.95 0.00 0.00 55.36 52.58 1rz0 s GLN 113 Cb -0.09 -3.01 -0.06 0.00 -0.22 0.00 0.00 33.01 29.63 1rz0 s GLN 113 CO 0.00 0.29 1.53 0.08 -0.25 0.00 0.00 175.29 176.94 1rz0 s VAL 114 N 0.25 3.45 -0.19 1.09 1.01 -0.38 -0.54 120.40 125.09 1rz0 s VAL 114 Ca -0.00 0.82 0.07 0.00 0.00 0.00 0.00 61.98 62.86 1rz0 s VAL 114 Cb -0.13 -3.53 -0.08 0.00 0.00 0.00 0.00 36.38 32.63 1rz0 s VAL 114 CO 0.02 -0.01 0.23 1.33 0.00 0.00 0.00 175.10 176.66 1rz0 n VAL 115 N 4.80 0.00 -3.65 2.92 0.24 -0.11 -4.90 118.33 117.63 1rz0 n VAL 115 Ca 0.15 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.34 62.02 1rz0 n VAL 115 Cb 0.42 0.74 -0.08 0.00 -1.47 0.00 0.00 33.84 33.46 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 -2.08 -0.46 -0.09 -1.34 3.04 -1.15 -5.02 114.94 107.85 1rz0 s ASN 116 Ca 0.00 0.54 0.02 0.00 0.04 0.00 0.00 52.86 53.46 1rz0 s ASN 116 Cb 0.05 0.55 0.02 0.00 -1.54 0.00 0.00 41.25 40.33 1rz0 s ASN 116 CO 0.27 -0.47 -0.13 -1.61 -3.04 0.00 0.00 177.10 172.13 1rz0 s GLU 117 N -0.97 1.92 -0.16 0.43 2.02 -1.26 -1.50 118.70 119.18 1rz0 s GLU 117 Ca -0.10 -0.46 -0.01 0.00 0.02 0.00 0.00 54.97 54.42 1rz0 s GLU 117 Cb -0.03 -1.66 0.05 0.00 0.10 0.00 0.00 34.13 32.59 1rz0 s GLU 117 CO 0.06 -0.06 -0.02 0.08 0.02 0.00 0.00 175.26 175.34 1rz0 s VAL 118 N 0.97 0.90 0.28 2.63 1.01 -0.27 -4.98 120.40 120.94 1rz0 s VAL 118 Ca -0.08 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 1rz0 s VAL 118 Cb -0.15 -1.16 -0.10 0.00 0.00 0.00 0.00 36.38 34.98 1rz0 s VAL 118 CO -0.00 0.05 1.27 -1.58 0.00 0.00 0.00 175.10 174.84 1rz0 s GLN 119 N 1.72 4.42 -0.31 2.72 0.74 -1.26 0.16 119.66 127.85 1rz0 s GLN 119 Ca 0.00 2.08 -0.00 0.00 0.05 0.00 0.00 55.36 57.50 1rz0 s GLN 119 Cb -0.15 -3.13 0.14 0.00 1.10 0.00 0.00 33.01 30.96 1rz0 s GLN 119 CO -0.07 -0.13 0.29 0.00 -0.55 0.00 0.00 175.29 174.83 1rz0 s ALA 120 N -0.74 -0.30 0.00 1.58 0.00 0.49 -4.91 121.76 117.88 1rz0 s ALA 120 Ca 0.51 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1rz0 s ALA 120 Cb -0.37 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 20.95 1rz0 s ALA 120 CO 0.46 -1.80 0.00 0.41 0.00 0.00 0.00 175.76 174.83 1rz0 n GLY 121 N 5.07 3.19 0.39 0.00 0.00 -1.26 -2.04 105.19 110.54 1rz0 n GLY 121 Ca 0.00 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.13 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 0.08 0.00 -4.20 1.61 3.45 -1.98 -3.45 116.42 111.93 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 -0.66 -1.00 -1.57 0.00 0.00 179.24 176.01 1rz0 s HIS 123 N -4.28 1.37 -0.09 4.55 3.76 -0.87 -1.15 115.29 118.58 1rz0 s HIS 123 Ca -0.03 -0.96 0.04 0.00 -0.15 0.00 0.00 55.06 53.97 1rz0 s HIS 123 Cb 0.10 -0.78 -0.00 0.00 1.11 0.00 0.00 32.58 33.01 1rz0 s HIS 123 CO 0.33 -0.12 -0.24 0.99 -0.85 0.00 0.00 174.74 174.85 1rz0 s THR 124 N -3.53 2.10 -0.24 1.30 2.01 0.38 -0.38 115.64 117.29 1rz0 s THR 124 Ca 0.25 -1.02 -0.22 0.00 0.31 0.00 0.00 61.69 61.02 1rz0 s THR 124 Cb 0.06 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 1rz0 s THR 124 CO 0.06 0.56 0.70 -0.76 -0.69 0.00 0.00 174.62 174.49 1rz0 s LEU 125 N 0.19 4.08 -0.40 4.42 1.43 0.12 -1.05 118.68 127.48 1rz0 s LEU 125 Ca -0.14 0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 53.68 1rz0 s LEU 125 Cb -0.17 -2.98 0.04 0.00 0.03 0.00 0.00 46.19 43.12 1rz0 s LEU 125 CO 0.07 -0.40 0.26 -0.36 0.23 0.00 0.00 176.35 176.15 1rz0 s PHE 126 N 2.50 3.26 -0.09 0.29 0.08 0.02 -1.11 117.98 122.92 1rz0 s PHE 126 Ca 0.30 -0.96 -0.23 0.00 0.12 0.00 0.00 56.93 56.15 1rz0 s PHE 126 Cb -0.16 -2.62 -0.03 0.00 -0.57 0.00 0.00 43.02 39.64 1rz0 s PHE 126 CO 0.09 -0.68 0.70 0.42 -0.10 0.00 0.00 175.22 175.64 1rz0 s ILE 127 N 1.57 5.03 -0.06 0.64 1.01 -0.56 -1.92 121.20 126.91 1rz0 s ILE 127 Ca 0.03 1.42 0.03 0.00 0.00 0.00 0.00 60.65 62.13 1rz0 s ILE 127 Cb -0.20 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.24 1rz0 s ILE 127 CO 0.07 0.22 -0.14 -0.83 0.00 0.00 0.00 174.94 174.26 1rz0 s GLY 128 N 0.87 0.84 -0.07 6.18 0.00 0.09 -0.93 107.32 114.29 1rz0 s GLY 128 Ca 0.36 -0.51 -0.25 0.00 0.00 0.00 0.00 44.72 44.32 1rz0 s GLY 128 CO 0.16 -0.04 0.78 1.85 0.00 0.00 0.00 173.10 175.86 1rz0 s GLU 129 N 0.46 4.44 -0.07 2.90 2.12 0.30 -0.60 118.70 128.24 1rz0 s GLU 129 Ca -0.12 1.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.93 1rz0 s GLU 129 Cb -0.14 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 1rz0 s GLU 129 CO 0.04 -0.03 1.05 0.08 -0.54 0.00 0.00 175.26 175.85 1rz0 s VAL 130 N 1.10 4.66 -0.16 3.70 1.01 -0.19 -0.98 120.40 129.54 1rz0 s VAL 130 Ca 0.41 1.93 0.14 0.00 0.00 0.00 0.00 61.98 64.46 1rz0 s VAL 130 Cb -0.18 -4.24 -0.20 0.00 0.00 0.00 0.00 36.38 31.76 1rz0 s VAL 130 CO 0.19 0.03 0.05 0.35 0.00 0.00 0.00 175.10 175.72 1rz0 n THR 131 N 4.44 1.14 -3.75 3.92 -2.24 0.48 -4.89 114.28 113.38 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 -0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 68.04 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 -5.06 -0.32 0.00 3.42 1.01 -1.22 -5.02 116.67 109.48 1rz0 s ASP 132 Ca -0.09 0.49 0.01 0.00 0.71 0.00 0.00 52.55 53.67 1rz0 s ASP 132 Cb 0.05 0.57 -0.00 0.00 1.01 0.00 0.00 42.92 44.55 1rz0 s ASP 132 CO 0.68 -0.26 -0.02 -0.63 0.21 0.00 0.00 175.17 175.14 1rz0 s ILE 133 N -0.43 0.17 -0.03 0.77 1.01 -1.26 -0.87 121.20 120.56 1rz0 s ILE 133 Ca -0.06 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.43 1rz0 s ILE 133 Cb -0.04 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.28 1rz0 s ILE 133 CO 0.02 -0.01 -0.05 -0.75 0.00 0.00 0.00 174.94 174.16 1rz0 s LYS 134 N -0.20 0.72 0.05 2.79 2.47 0.07 -4.99 119.74 120.65 1rz0 s LYS 134 Ca -0.01 -0.12 0.07 0.00 -1.56 0.00 0.00 55.97 54.35 1rz0 s LYS 134 Cb -0.02 -0.73 -0.03 0.00 -1.46 0.00 0.00 37.83 35.59 1rz0 s LYS 134 CO -0.00 -0.03 -0.19 0.42 0.16 0.00 0.00 175.35 175.70 1rz0 s ILE 135 N 0.67 1.57 0.39 5.43 1.01 -1.26 -0.24 121.20 128.77 1rz0 s ILE 135 Ca -0.09 -1.23 0.04 0.00 0.00 0.00 0.00 60.65 59.37 1rz0 s ILE 135 Cb -0.12 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 1rz0 s ILE 135 CO 0.00 0.11 0.08 0.42 0.00 0.00 0.00 174.94 175.55 1rz0 s THR 136 N -0.89 0.97 -0.45 2.92 -4.23 -0.49 -5.00 115.64 108.48 1rz0 s THR 136 Ca 0.06 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.61 1rz0 s THR 136 Cb -0.09 -2.54 0.56 0.00 1.34 0.00 0.00 72.50 71.78 1rz0 s THR 136 CO 0.02 0.00 1.78 -0.62 -0.54 0.00 0.00 174.62 175.26 1rz0 n GLU 137 N -0.87 2.34 -1.79 3.99 -0.58 -1.26 -4.88 120.64 117.60 1rz0 n GLU 137 Ca -0.06 -3.21 -0.31 0.00 -0.42 0.00 0.00 57.16 53.16 1rz0 n GLU 137 Cb 0.66 -2.12 0.03 0.00 -0.57 0.00 0.00 31.44 29.45 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 -3.43 3.16 0.36 3.49 -0.21 -1.26 -5.05 119.66 116.71 1rz0 s GLN 138 Ca 0.55 0.71 -0.19 0.00 0.02 0.00 0.00 55.36 56.45 1rz0 s GLN 138 Cb 0.46 -2.03 -0.10 0.00 1.00 0.00 0.00 33.01 32.34 1rz0 s GLN 138 CO 0.05 -0.88 0.84 -0.51 -2.12 0.00 0.00 175.29 172.67 1rz0 s ASP 139 N -4.13 6.90 0.20 5.90 1.01 -1.26 -4.98 116.67 120.32 1rz0 s ASP 139 Ca 0.57 1.50 -0.11 0.00 0.71 0.00 0.00 52.55 55.23 1rz0 s ASP 139 Cb -0.12 -2.46 -0.07 0.00 1.01 0.00 0.00 42.92 41.28 1rz0 s ASP 139 CO 0.54 -0.25 0.54 -2.16 0.21 0.00 0.00 175.17 174.05 1rz0 s PRO 140 N -2.93 3.84 0.21 8.23 0.04 -1.26 -0.56 135.00 142.56 1rz0 s PRO 140 Ca 0.56 0.32 -0.30 0.00 0.04 0.00 0.00 61.00 61.63 1rz0 s PRO 140 Cb -0.11 -2.73 -0.09 0.00 0.04 0.00 0.00 34.50 31.61 1rz0 s PRO 140 CO 0.16 0.37 1.31 -1.17 0.04 0.00 0.00 177.00 177.71 1rz0 s LEU 141 N -2.57 4.42 0.23 -3.56 2.96 -0.86 -4.01 118.68 115.29 1rz0 s LEU 141 Ca 0.44 2.42 0.11 0.00 -0.22 0.00 0.00 54.13 56.88 1rz0 s LEU 141 Cb -0.12 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1rz0 s LEU 141 CO 0.20 -0.53 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.78 1rz0 s LEU 142 N -0.18 2.71 -0.05 -0.68 1.43 -0.49 -3.27 118.68 118.15 1rz0 s LEU 142 Ca 0.56 -0.82 -0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1rz0 s LEU 142 Cb -0.37 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.54 1rz0 s LEU 142 CO 0.39 0.07 -0.01 0.12 0.23 0.00 0.00 176.35 177.15 1rz0 s PHE 143 N -2.05 0.60 -0.20 0.29 5.36 0.40 -0.99 117.98 121.41 1rz0 s PHE 143 Ca 0.26 -0.13 -0.13 0.00 -0.96 0.00 0.00 56.93 55.96 1rz0 s PHE 143 Cb -0.07 -0.67 0.06 0.00 -0.34 0.00 0.00 43.02 42.00 1rz0 s PHE 143 CO 0.14 -0.24 0.49 0.12 -1.46 0.00 0.00 175.22 174.27 1rz0 s PHE 144 N 1.45 -0.67 -1.63 10.12 5.36 -0.36 -1.67 117.98 130.58 1rz0 s PHE 144 Ca -0.03 1.46 -0.17 0.00 -0.96 0.00 0.00 56.93 57.23 1rz0 s PHE 144 Cb -0.13 0.30 0.13 0.00 -0.34 0.00 0.00 43.02 42.98 1rz0 s PHE 144 CO -0.03 -0.35 0.86 0.43 -1.46 0.00 0.00 175.22 174.68 1rz0 n SER 145 N 3.74 -3.98 0.00 6.13 7.64 0.36 -1.29 113.62 126.23 1rz0 n SER 145 Ca -0.19 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1rz0 n SER 145 Cb 0.56 -3.22 0.00 0.00 -1.01 0.00 0.00 64.21 60.55 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 -1.50 0.78 3.19 0.23 0.00 -1.26 -5.01 105.19 101.61 1rz0 n GLY 146 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.09 0.87 0.42 1.61 1.02 -0.41 -5.14 119.74 118.01 1rz0 s LYS 147 Ca 0.00 -1.09 -0.24 0.00 0.02 0.00 0.00 55.97 54.66 1rz0 s LYS 147 Cb 0.00 -0.74 -0.08 0.00 -0.52 0.00 0.00 37.83 36.49 1rz0 s LYS 147 CO 0.00 0.14 1.10 0.71 -0.92 0.00 0.00 175.35 176.38 1rz0 s TYR 148 N -1.88 3.13 0.25 3.18 2.02 -1.26 -1.23 117.35 121.56 1rz0 s TYR 148 Ca 0.03 1.60 -0.07 0.00 -0.37 0.00 0.00 57.07 58.26 1rz0 s TYR 148 Cb -0.06 -3.23 -0.01 0.00 -0.40 0.00 0.00 41.96 38.25 1rz0 s TYR 148 CO 0.02 -0.97 0.38 -1.01 -1.57 0.00 0.00 175.55 172.40 1rz0 s HIS 149 N -1.60 0.73 0.14 2.71 3.76 -0.16 -4.92 115.29 115.95 1rz0 s HIS 149 Ca 0.59 -1.02 0.05 0.00 -0.15 0.00 0.00 55.06 54.53 1rz0 s HIS 149 Cb -0.25 -0.07 -0.04 0.00 1.11 0.00 0.00 32.58 33.33 1rz0 s HIS 149 CO 0.31 -0.93 -0.12 -0.65 -0.85 0.00 0.00 174.74 172.50 1rz0 s GLN 150 N -3.86 1.05 0.46 1.40 -0.21 -1.26 -1.39 119.66 115.85 1rz0 s GLN 150 Ca 0.29 -1.37 -0.24 0.00 0.02 0.00 0.00 55.36 54.06 1rz0 s GLN 150 Cb 0.01 -0.75 -0.07 0.00 1.00 0.00 0.00 33.01 33.20 1rz0 s GLN 150 CO 0.12 0.12 1.24 -0.51 -2.12 0.00 0.00 175.29 174.13 1rz0 s LEU 151 N -2.89 4.05 0.23 2.90 1.43 -1.26 -4.99 118.68 118.14 1rz0 s LEU 151 Ca 0.14 2.48 -0.30 0.00 -1.03 0.00 0.00 54.13 55.42 1rz0 s LEU 151 Cb -0.01 -4.14 -0.10 0.00 0.03 0.00 0.00 46.19 41.97 1rz0 s LEU 151 CO 0.02 -1.00 1.43 0.00 0.23 0.00 0.00 176.35 177.02 1rz0 s ALA 152 N -1.41 3.62 -2.85 4.21 0.00 -1.26 -5.12 121.76 118.95 1rz0 s ALA 152 Ca 0.63 1.28 0.23 0.00 0.00 0.00 0.00 51.96 54.10 1rz0 s ALA 152 Cb -0.33 -3.55 0.18 0.00 0.00 0.00 0.00 23.12 19.42 1rz0 s ALA 152 CO 0.41 -0.70 1.22 1.04 0.00 0.00 0.00 175.76 177.73