#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rz1 h ASP 3 N 0.00 0.16 -0.31 1.67 3.45 -2.05 -2.46 116.42 116.88 1rz1 h ASP 3 Ca 0.00 -0.01 -0.12 0.00 0.43 0.00 0.00 57.03 57.33 1rz1 h ASP 3 Cb 0.00 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 1rz1 h ASP 3 CO 0.00 0.20 -0.26 -0.09 -1.57 0.00 0.00 179.24 177.52 1rz1 h ARG 4 N 0.18 0.72 -0.64 3.56 2.43 -2.05 -1.62 114.38 116.97 1rz1 h ARG 4 Ca 0.04 -0.36 0.02 0.00 -0.81 0.00 0.00 59.98 58.87 1rz1 h ARG 4 Cb 0.13 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1rz1 h ARG 4 CO 0.00 0.98 0.41 1.25 -1.51 0.00 0.00 179.97 181.10 1rz1 h LEU 5 N 0.48 0.68 -0.40 3.80 5.85 -1.91 0.13 115.31 123.93 1rz1 h LEU 5 Ca 0.06 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1rz1 h LEU 5 Cb 0.82 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1rz1 h LEU 5 CO 0.07 0.48 0.09 0.15 -0.34 0.00 0.00 178.44 178.89 1rz1 h PHE 6 N 0.81 0.69 -0.50 1.25 3.57 -1.42 -0.60 116.94 120.74 1rz1 h PHE 6 Ca 0.25 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 1rz1 h PHE 6 Cb -0.03 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 1rz1 h PHE 6 CO -0.04 0.66 0.02 0.00 -2.23 0.00 0.00 178.31 176.72 1rz1 h ARG 7 N 0.52 0.88 -0.44 1.11 3.08 -1.07 -2.81 114.38 115.63 1rz1 h ARG 7 Ca 0.13 -0.27 0.05 0.00 0.07 0.00 0.00 59.98 59.96 1rz1 h ARG 7 Cb 0.33 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1rz1 h ARG 7 CO 0.00 0.90 0.19 -0.91 -1.07 0.00 0.00 179.97 179.08 1rz1 h ASN 8 N 0.74 0.24 0.00 7.04 2.35 -0.64 -0.64 115.58 124.67 1rz1 h ASN 8 Ca 0.15 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1rz1 h ASN 8 Cb 0.49 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1rz1 h ASN 8 CO 0.02 0.18 0.00 0.00 -1.65 0.00 0.00 177.43 175.98 1rz1 n ALA 9 N -2.34 0.99 0.00 -0.83 0.00 -0.24 -2.85 120.51 115.24 1rz1 n ALA 9 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1rz1 n ALA 9 Cb 0.14 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1rz1 n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rz1 n GLY 11 N 0.34 0.00 0.00 0.00 0.00 -0.25 -4.00 105.19 101.28 1rz1 n GLY 11 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1rz1 n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rz1 n LYS 12 N 0.00 0.38 -3.40 1.61 4.76 -1.13 -0.83 118.16 119.55 1rz1 n LYS 12 Ca 0.00 0.03 -0.43 0.00 -2.87 0.00 0.00 58.31 55.04 1rz1 n LYS 12 Cb 0.00 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.60 1rz1 n LYS 12 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1rz1 s PHE 13 N -2.57 3.22 0.50 2.13 5.36 -1.26 -4.94 117.98 120.43 1rz1 s PHE 13 Ca 0.25 -0.65 -0.21 0.00 -0.96 0.00 0.00 56.93 55.36 1rz1 s PHE 13 Cb 0.18 -2.84 -0.06 0.00 -0.34 0.00 0.00 43.02 39.95 1rz1 s PHE 13 CO 0.41 -0.69 1.17 0.00 -1.46 0.00 0.00 175.22 174.65 1rz1 s ALA 14 N 1.79 2.84 0.14 11.12 0.00 -1.26 -4.87 121.76 131.52 1rz1 s ALA 14 Ca 0.06 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 52.89 1rz1 s ALA 14 Cb -0.20 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 1rz1 s ALA 14 CO 0.10 -0.77 0.19 0.95 0.00 0.00 0.00 175.76 176.23 1rz1 s THR 15 N -1.61 0.09 0.40 0.00 -4.23 -0.61 -5.00 115.64 104.68 1rz1 s THR 15 Ca 0.68 -1.54 -0.07 0.00 -1.18 0.00 0.00 61.69 59.58 1rz1 s THR 15 Cb -0.28 -1.83 0.10 0.00 1.34 0.00 0.00 72.50 71.83 1rz1 s THR 15 CO 0.33 -0.42 0.42 0.61 -0.54 0.00 0.00 174.62 175.01 1rz1 n GLY 16 N -0.14 -2.02 2.92 3.99 0.00 -1.26 -0.39 105.19 108.29 1rz1 n GLY 16 Ca -0.08 -1.56 -0.20 0.00 0.00 0.00 0.00 46.02 44.18 1rz1 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rz1 s VAL 17 N -1.84 0.61 0.32 1.61 1.01 -1.21 -4.59 120.40 116.31 1rz1 s VAL 17 Ca 0.26 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.16 1rz1 s VAL 17 Cb -0.02 -0.61 -0.06 0.00 0.00 0.00 0.00 36.38 35.69 1rz1 s VAL 17 CO 0.19 0.23 -0.12 0.42 0.00 0.00 0.00 175.10 175.82 1rz1 s THR 18 N 0.78 2.40 -0.17 3.92 -4.23 -0.34 -0.63 115.64 117.37 1rz1 s THR 18 Ca -0.11 -2.25 -0.01 0.00 -1.18 0.00 0.00 61.69 58.14 1rz1 s THR 18 Cb -0.14 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.16 1rz1 s THR 18 CO 0.01 -0.28 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.98 1rz1 s VAL 19 N -2.56 2.72 -0.07 2.29 1.01 0.03 -0.99 120.40 122.83 1rz1 s VAL 19 Ca 0.32 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 1rz1 s VAL 19 Cb -0.01 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1rz1 s VAL 19 CO 0.16 0.50 0.80 -0.63 0.00 0.00 0.00 175.10 175.93 1rz1 s ILE 20 N 1.03 4.97 0.19 2.22 -1.09 -1.26 -0.51 121.20 126.75 1rz1 s ILE 20 Ca -0.01 1.64 0.09 0.00 -2.23 0.00 0.00 60.65 60.14 1rz1 s ILE 20 Cb -0.15 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 1rz1 s ILE 20 CO -0.03 0.18 -0.19 0.42 -1.23 0.00 0.00 174.94 174.10 1rz1 s THR 21 N 1.11 1.98 0.30 2.92 -4.23 0.19 -4.18 115.64 113.73 1rz1 s THR 21 Ca 0.41 -2.05 -0.18 0.00 -1.18 0.00 0.00 61.69 58.69 1rz1 s THR 21 Cb -0.18 -1.98 0.02 0.00 1.34 0.00 0.00 72.50 71.70 1rz1 s THR 21 CO 0.20 -0.35 0.69 0.28 -0.54 0.00 0.00 174.62 174.90 1rz1 s THR 22 N -2.21 0.00 -0.08 3.99 -1.32 -0.28 -0.66 115.64 115.08 1rz1 s THR 22 Ca 0.20 -1.08 0.02 0.00 -1.21 0.00 0.00 61.69 59.62 1rz1 s THR 22 Cb -0.05 -2.25 0.01 0.00 -1.51 0.00 0.00 72.50 68.71 1rz1 s THR 22 CO 0.08 0.00 -0.12 -0.70 -2.21 0.00 0.00 174.62 171.67 1rz1 s GLU 23 N -3.54 1.76 -0.11 7.08 2.12 -1.26 -0.89 118.70 123.85 1rz1 s GLU 23 Ca 0.14 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.06 1rz1 s GLU 23 Cb -0.05 -1.50 0.02 0.00 0.26 0.00 0.00 34.13 32.86 1rz1 s GLU 23 CO 0.09 -0.02 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.52 1rz1 s LEU 24 N 0.83 1.39 -1.59 2.70 2.96 -0.29 -4.80 118.68 119.88 1rz1 s LEU 24 Ca -0.11 -0.35 -0.17 0.00 -0.22 0.00 0.00 54.13 53.28 1rz1 s LEU 24 Cb -0.15 -0.92 0.14 0.00 0.50 0.00 0.00 46.19 45.76 1rz1 s LEU 24 CO 0.02 -0.08 0.71 0.59 -1.32 0.00 0.00 176.35 176.27 1rz1 n ASN 25 N 4.70 -3.30 0.00 3.68 3.02 -1.26 -1.16 115.26 120.94 1rz1 n ASN 25 Ca -0.15 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1rz1 n ASN 25 Cb 0.50 -2.71 0.00 0.00 -0.61 0.00 0.00 39.78 36.96 1rz1 n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rz1 n GLY 26 N -1.31 2.96 3.73 7.41 0.00 -1.26 -4.99 105.19 111.74 1rz1 n GLY 26 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1rz1 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rz1 s ALA 27 N -1.27 3.44 -0.21 4.61 0.00 -0.31 -5.02 121.76 123.00 1rz1 s ALA 27 Ca 0.00 0.94 -0.14 0.00 0.00 0.00 0.00 51.96 52.76 1rz1 s ALA 27 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1rz1 s ALA 27 CO 0.00 -0.39 0.34 0.08 0.00 0.00 0.00 175.76 175.79 1rz1 s VAL 28 N 0.13 5.24 0.02 0.00 1.01 -1.26 -1.14 120.40 124.40 1rz1 s VAL 28 Ca 0.54 0.58 0.08 0.00 0.00 0.00 0.00 61.98 63.18 1rz1 s VAL 28 Cb -0.32 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1rz1 s VAL 28 CO 0.35 0.28 -0.23 -1.00 0.00 0.00 0.00 175.10 174.50 1rz1 s HIS 29 N 1.19 2.41 0.14 5.22 3.76 -0.07 -4.99 115.29 122.95 1rz1 s HIS 29 Ca 0.16 -0.36 0.02 0.00 -0.15 0.00 0.00 55.06 54.73 1rz1 s HIS 29 Cb -0.14 -1.45 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 1rz1 s HIS 29 CO 0.07 0.13 0.08 0.41 -0.85 0.00 0.00 174.74 174.57 1rz1 n GLY 30 N 1.90 3.71 3.37 -2.22 0.00 -1.26 -1.13 105.19 109.56 1rz1 n GLY 30 Ca -0.17 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 1rz1 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rz1 s THR 32 N -2.29 3.16 -0.05 2.61 2.01 -0.26 -4.92 115.64 115.90 1rz1 s THR 32 Ca 0.11 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 1rz1 s THR 32 Cb 0.01 -2.34 0.02 0.00 0.01 0.00 0.00 72.50 70.19 1rz1 s THR 32 CO 0.08 0.51 0.12 0.00 -0.69 0.00 0.00 174.62 174.64 1rz1 s ALA 33 N 0.49 -0.28 -0.36 7.40 0.00 -0.16 -4.89 121.76 123.95 1rz1 s ALA 33 Ca -0.08 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.31 1rz1 s ALA 33 Cb -0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1rz1 s ALA 33 CO 0.04 -0.07 0.37 0.27 0.00 0.00 0.00 175.76 176.37 1rz1 n ASN 34 N 3.22 0.67 -4.25 0.00 6.94 -1.26 -1.20 115.26 119.38 1rz1 n ASN 34 Ca -0.15 -0.84 -0.43 0.00 -0.02 0.00 0.00 54.58 53.15 1rz1 n ASN 34 Cb 0.58 0.61 0.00 0.00 -2.36 0.00 0.00 39.78 38.61 1rz1 n ASN 34 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rz1 n ALA 35 N -0.57 4.33 -2.32 -2.53 0.00 -1.26 -4.92 120.51 113.24 1rz1 n ALA 35 Ca 0.02 -3.88 -0.18 0.00 0.00 0.00 0.00 53.44 49.39 1rz1 n ALA 35 Cb 0.09 -3.55 -0.09 0.00 0.00 0.00 0.00 19.45 15.89 1rz1 n ALA 35 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1rz1 s PHE 36 N 3.69 1.57 0.12 0.00 5.36 -1.26 -1.79 117.98 125.66 1rz1 s PHE 36 Ca 0.51 -1.40 -0.25 0.00 -0.96 0.00 0.00 56.93 54.83 1rz1 s PHE 36 Cb 0.08 -0.81 -0.07 0.00 -0.34 0.00 0.00 43.02 41.87 1rz1 s PHE 36 CO 0.01 -0.57 0.77 0.45 -1.46 0.00 0.00 175.22 174.43 1rz1 s SER 38 N -3.35 7.33 0.02 6.13 0.15 -1.26 -5.02 113.70 117.69 1rz1 s SER 38 Ca 0.37 1.58 -0.05 0.00 0.70 0.00 0.00 55.95 58.54 1rz1 s SER 38 Cb 0.05 -2.49 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 1rz1 s SER 38 CO 0.18 0.14 -0.10 0.52 1.20 0.00 0.00 173.24 175.18 1rz1 n VAL 39 N 2.04 1.22 -4.21 4.45 0.31 -0.60 -4.91 118.33 116.64 1rz1 n VAL 39 Ca -0.04 0.32 -0.17 0.00 -0.01 0.00 0.00 64.34 64.43 1rz1 n VAL 39 Cb 0.49 -1.77 -0.13 0.00 -0.91 0.00 0.00 33.84 31.53 1rz1 n VAL 39 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1rz1 s SER 40 N -5.88 1.20 -0.20 4.52 0.15 -0.88 -4.97 113.70 107.64 1rz1 s SER 40 Ca -0.08 -0.43 -0.22 0.00 0.70 0.00 0.00 55.95 55.92 1rz1 s SER 40 Cb 0.01 -0.05 -0.19 0.00 -1.71 0.00 0.00 66.02 64.08 1rz1 s SER 40 CO 0.12 -0.05 0.23 0.25 1.20 0.00 0.00 173.24 174.99 1rz1 h LEU 41 N 4.94 0.00 -7.68 3.45 5.85 -1.95 -0.90 115.31 119.02 1rz1 h LEU 41 Ca -0.36 -0.52 -0.63 0.00 0.84 0.00 0.00 57.88 57.21 1rz1 h LEU 41 Cb 1.19 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 41.84 1rz1 h LEU 41 CO 0.44 1.44 -0.78 0.20 -0.34 0.00 0.00 178.44 179.40 1rz1 s ASN 42 N -6.78 4.20 0.94 1.25 0.01 -1.26 -2.74 114.94 110.56 1rz1 s ASN 42 Ca -0.28 -1.45 -0.15 0.00 -0.71 0.00 0.00 52.86 50.28 1rz1 s ASN 42 Cb 0.05 -1.34 0.17 0.00 0.41 0.00 0.00 41.25 40.53 1rz1 s ASN 42 CO 0.58 -0.26 1.22 -2.16 -1.51 0.00 0.00 177.10 174.98 1rz1 s PRO 43 N 1.24 0.88 -0.69 -0.60 0.04 -1.26 -5.05 135.00 129.56 1rz1 s PRO 43 Ca -0.03 -0.09 -0.27 0.00 0.04 0.00 0.00 61.00 60.65 1rz1 s PRO 43 Cb -0.19 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1rz1 s PRO 43 CO -0.07 -2.30 1.40 0.15 0.04 0.00 0.00 177.00 176.21 1rz1 s LYS 44 N -5.63 3.10 0.08 4.56 1.02 -1.11 -4.54 119.74 117.23 1rz1 s LYS 44 Ca 0.68 0.00 0.09 0.00 0.02 0.00 0.00 55.97 56.77 1rz1 s LYS 44 Cb -0.09 -4.21 -0.03 0.00 -0.52 0.00 0.00 37.83 32.98 1rz1 s LYS 44 CO 0.52 -2.23 -0.24 -0.51 -0.92 0.00 0.00 175.35 171.98 1rz1 s LEU 45 N 6.38 2.23 0.12 3.17 1.43 -0.34 -1.40 118.68 130.27 1rz1 s LEU 45 Ca 0.43 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1rz1 s LEU 45 Cb -0.09 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1rz1 s LEU 45 CO 0.17 0.18 -0.03 0.54 0.23 0.00 0.00 176.35 177.44 1rz1 s VAL 46 N -0.93 0.62 -0.00 -1.59 0.11 0.33 -1.55 120.40 117.38 1rz1 s VAL 46 Ca 0.10 -1.94 0.00 0.00 -2.93 0.00 0.00 61.98 57.21 1rz1 s VAL 46 Cb -0.10 -1.83 -0.00 0.00 -1.53 0.00 0.00 36.38 32.92 1rz1 s VAL 46 CO 0.03 -0.73 -0.00 -0.22 -3.33 0.00 0.00 175.10 170.85 1rz1 s LEU 47 N -3.08 2.00 0.11 2.54 0.20 -1.26 -0.13 118.68 119.07 1rz1 s LEU 47 Ca 0.16 -0.01 0.06 0.00 0.69 0.00 0.00 54.13 55.03 1rz1 s LEU 47 Cb 0.06 -0.03 -0.04 0.00 -0.43 0.00 0.00 46.19 45.76 1rz1 s LEU 47 CO -0.02 0.01 -0.15 0.54 -0.29 0.00 0.00 176.35 176.43 1rz1 s VAL 48 N -0.01 1.37 -0.14 1.68 0.11 -0.83 -4.39 120.40 118.19 1rz1 s VAL 48 Ca 0.00 -1.62 0.01 0.00 -2.93 0.00 0.00 61.98 57.44 1rz1 s VAL 48 Cb -0.00 -1.46 0.02 0.00 -1.53 0.00 0.00 36.38 33.41 1rz1 s VAL 48 CO -0.00 -0.32 -0.16 -0.55 -3.33 0.00 0.00 175.10 170.74 1rz1 s SER 49 N -2.25 2.73 -0.06 3.54 0.15 -0.74 -0.95 113.70 116.12 1rz1 s SER 49 Ca 0.07 -0.51 0.05 0.00 0.70 0.00 0.00 55.95 56.26 1rz1 s SER 49 Cb -0.07 -1.23 -0.01 0.00 -1.71 0.00 0.00 66.02 63.01 1rz1 s SER 49 CO 0.03 -0.01 -0.22 -0.63 1.20 0.00 0.00 173.24 173.61 1rz1 s ILE 50 N 1.25 1.81 0.47 6.45 1.01 -0.15 -4.79 121.20 127.25 1rz1 s ILE 50 Ca 0.01 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 59.50 1rz1 s ILE 50 Cb -0.14 -1.54 -0.07 0.00 0.01 0.00 0.00 42.46 40.72 1rz1 s ILE 50 CO -0.08 0.51 1.27 -0.83 0.00 0.00 0.00 174.94 175.81 1rz1 s GLY 51 N 0.02 2.86 0.55 6.18 0.00 -1.26 -0.59 107.32 115.08 1rz1 s GLY 51 Ca -0.07 1.16 0.22 0.00 0.00 0.00 0.00 44.72 46.04 1rz1 s GLY 51 CO 0.04 1.68 2.12 1.05 0.00 0.00 0.00 173.10 177.99 1rz1 h GLU 52 N 2.07 0.00 -0.07 2.90 4.11 -1.40 -1.94 114.58 120.26 1rz1 h GLU 52 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1rz1 h GLU 52 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1rz1 h GLU 52 CO 0.60 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.31 1rz1 n LYS 53 N -4.26 1.94 -2.73 1.06 5.02 -1.26 -4.94 118.16 112.99 1rz1 n LYS 53 Ca 0.01 -1.38 -0.42 0.00 -2.02 0.00 0.00 58.31 54.50 1rz1 n LYS 53 Cb 0.25 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1rz1 n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rz1 s ALA 54 N -1.94 3.19 0.00 7.82 0.00 -0.73 -5.02 121.76 125.08 1rz1 s ALA 54 Ca 0.34 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1rz1 s ALA 54 Cb 0.20 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1rz1 s ALA 54 CO 0.31 -0.16 0.03 1.63 0.00 0.00 0.00 175.76 177.57 1rz1 n LYS 55 N 3.56 0.00 0.00 0.00 5.02 -1.26 -4.22 118.16 121.26 1rz1 n LYS 55 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1rz1 n LYS 55 Cb 0.50 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 1rz1 n LYS 55 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1rz1 n LEU 57 N 1.74 0.00 -0.24 -0.35 0.00 -1.26 -3.22 117.00 113.66 1rz1 n LEU 57 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 55.97 1rz1 n LEU 57 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 43.42 43.55 1rz1 n LEU 57 CO 0.01 0.00 1.08 1.05 0.00 0.00 0.00 177.39 179.53 1rz1 h GLU 58 N 0.00 1.08 -0.61 1.96 9.09 -1.95 -1.60 114.58 122.54 1rz1 h GLU 58 Ca 0.00 -0.17 0.06 0.00 0.05 0.00 0.00 59.36 59.30 1rz1 h GLU 58 Cb 0.00 -0.19 -0.06 0.00 -1.65 0.00 0.00 28.75 26.86 1rz1 h GLU 58 CO 0.00 0.86 0.31 0.87 0.05 0.00 0.00 179.01 181.10 1rz1 h LYS 59 N 1.06 0.56 -0.20 1.06 1.79 -1.90 -1.31 116.57 117.63 1rz1 h LYS 59 Ca 0.25 -0.03 -0.20 0.00 -2.18 0.00 0.00 60.65 58.49 1rz1 h LYS 59 Cb 0.16 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1rz1 h LYS 59 CO -0.03 0.37 -0.67 0.82 -1.08 0.00 0.00 179.45 178.86 1rz1 h ILE 60 N 0.57 1.29 -0.70 1.86 2.04 -1.81 -1.03 117.51 119.73 1rz1 h ILE 60 Ca 0.28 -1.89 0.07 0.00 1.00 0.00 0.00 64.86 64.33 1rz1 h ILE 60 Cb 0.22 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 1rz1 h ILE 60 CO -0.20 0.60 0.46 1.56 0.00 0.00 0.00 178.15 180.57 1rz1 h GLN 61 N 0.55 0.66 0.00 2.37 4.20 -0.87 0.29 115.11 122.31 1rz1 h GLN 61 Ca -0.02 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1rz1 h GLN 61 Cb 1.28 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1rz1 h GLN 61 CO 0.14 0.44 -0.00 1.96 -0.67 0.00 0.00 178.83 180.69 1rz1 h GLN 62 N 0.68 -0.00 0.00 1.46 4.20 -1.13 -3.37 115.11 116.95 1rz1 h GLN 62 Ca 0.31 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.93 1rz1 h GLN 62 Cb 0.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1rz1 h GLN 62 CO -0.10 0.86 -0.39 0.66 -0.67 0.00 0.00 178.83 179.19 1rz1 h SER 63 N -0.99 0.00 -1.30 1.46 4.64 -1.04 -3.47 113.55 112.85 1rz1 h SER 63 Ca -0.00 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.90 1rz1 h SER 63 Cb 0.86 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.81 1rz1 h SER 63 CO 0.00 0.39 -0.41 0.29 -0.87 0.00 0.00 176.83 176.23 1rz1 n LYS 64 N -4.01 -1.48 -3.92 4.77 4.76 0.10 -4.97 118.16 113.40 1rz1 n LYS 64 Ca -0.02 1.20 -0.09 0.00 -2.87 0.00 0.00 58.31 56.53 1rz1 n LYS 64 Cb 0.43 -5.62 -0.07 0.00 -1.84 0.00 0.00 35.03 27.92 1rz1 n LYS 64 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1rz1 s LYS 65 N -3.96 0.97 -0.07 1.97 -2.85 -1.26 -0.87 119.74 113.66 1rz1 s LYS 65 Ca 0.00 -1.08 -0.30 0.00 -1.00 0.00 0.00 55.97 53.59 1rz1 s LYS 65 Cb 0.00 0.35 0.10 0.00 -2.06 0.00 0.00 37.83 36.21 1rz1 s LYS 65 CO 0.00 -0.33 0.83 1.52 0.10 0.00 0.00 175.35 177.48 1rz1 s TYR 66 N -3.92 -0.49 0.07 1.78 -0.85 -0.93 -4.78 117.35 108.24 1rz1 s TYR 66 Ca 0.11 0.75 0.07 0.00 -0.52 0.00 0.00 57.07 57.48 1rz1 s TYR 66 Cb 0.04 0.45 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 1rz1 s TYR 66 CO -0.06 -0.51 -0.16 0.00 -1.52 0.00 0.00 175.55 173.31 1rz1 s ALA 67 N -1.59 2.72 -0.22 9.51 0.00 0.17 -0.23 121.76 132.12 1rz1 s ALA 67 Ca -0.04 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 50.63 1rz1 s ALA 67 Cb -0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1rz1 s ALA 67 CO 0.02 0.59 0.02 0.08 0.00 0.00 0.00 175.76 176.48 1rz1 s VAL 68 N -1.05 4.00 -0.37 0.00 1.01 0.53 -0.64 120.40 123.88 1rz1 s VAL 68 Ca 0.17 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 1rz1 s VAL 68 Cb -0.11 -2.84 0.07 0.00 0.00 0.00 0.00 36.38 33.50 1rz1 s VAL 68 CO 0.08 0.39 0.15 0.20 0.00 0.00 0.00 175.10 175.92 1rz1 s ASN 69 N 1.34 5.31 -0.05 3.32 0.01 0.33 -1.45 114.94 123.74 1rz1 s ASN 69 Ca 0.04 -1.45 -0.30 0.00 -0.71 0.00 0.00 52.86 50.44 1rz1 s ASN 69 Cb -0.15 -1.86 -0.02 0.00 0.41 0.00 0.00 41.25 39.63 1rz1 s ASN 69 CO 0.01 -0.42 1.00 -0.63 -1.51 0.00 0.00 177.10 175.55 1rz1 s ILE 70 N 1.32 4.82 0.12 0.60 1.01 -0.02 -0.79 121.20 128.25 1rz1 s ILE 70 Ca 0.01 2.04 -0.21 0.00 0.00 0.00 0.00 60.65 62.50 1rz1 s ILE 70 Cb -0.21 -4.31 -0.07 0.00 0.01 0.00 0.00 42.46 37.87 1rz1 s ILE 70 CO 0.00 0.09 0.64 -0.76 0.00 0.00 0.00 174.94 174.91 1rz1 s LEU 71 N 1.49 4.52 0.71 2.97 1.43 0.20 -0.22 118.68 129.78 1rz1 s LEU 71 Ca 0.50 1.37 -0.10 0.00 -1.03 0.00 0.00 54.13 54.86 1rz1 s LEU 71 Cb -0.20 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 42.96 1rz1 s LEU 71 CO 0.23 0.23 1.08 -0.94 0.23 0.00 0.00 176.35 177.18 1rz1 s SER 72 N -1.21 5.28 0.54 2.29 1.04 -1.26 -2.23 113.70 118.15 1rz1 s SER 72 Ca 0.33 0.98 0.35 0.00 0.48 0.00 0.00 55.95 58.08 1rz1 s SER 72 Cb -0.20 -1.74 1.52 0.00 0.10 0.00 0.00 66.02 65.70 1rz1 s SER 72 CO 0.21 -1.41 1.84 -0.61 0.98 0.00 0.00 173.24 174.25 1rz1 h GLN 73 N -0.65 0.00 -0.26 4.02 4.15 -1.12 -1.49 115.11 119.77 1rz1 h GLN 73 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1rz1 h GLN 73 Cb 1.27 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1rz1 h GLN 73 CO 0.64 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.29 1rz1 n ASP 74 N -4.21 1.37 -0.55 -0.69 8.00 -1.26 -4.27 116.55 114.94 1rz1 n ASP 74 Ca 0.23 -2.00 0.07 0.00 0.71 0.00 0.00 54.79 53.79 1rz1 n ASP 74 Cb 1.13 -0.17 0.16 0.00 -0.02 0.00 0.00 41.12 42.21 1rz1 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rz1 n GLN 75 N 0.24 1.23 -0.29 -1.24 6.02 -0.56 -4.73 117.38 118.05 1rz1 n GLN 75 Ca 0.08 -2.82 0.03 0.00 -0.01 0.00 0.00 57.00 54.29 1rz1 n GLN 75 Cb 0.22 -1.34 0.24 0.00 1.02 0.00 0.00 30.24 30.37 1rz1 n GLN 75 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1rz1 h LYS 76 N 0.66 1.01 -0.60 -1.09 3.64 -1.76 -2.05 116.57 116.38 1rz1 h LYS 76 Ca -0.03 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 1rz1 h LYS 76 Cb 1.12 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1rz1 h LYS 76 CO 0.01 0.67 0.11 0.28 -2.27 0.00 0.00 179.45 178.25 1rz1 h VAL 77 N 1.04 1.25 -0.73 2.00 2.07 -1.95 -2.66 116.25 117.27 1rz1 h VAL 77 Ca 0.37 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1rz1 h VAL 77 Cb 0.13 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1rz1 h VAL 77 CO -0.13 0.35 0.25 -0.07 0.02 0.00 0.00 177.57 178.00 1rz1 h LEU 78 N 0.91 1.04 -0.95 2.57 3.38 -1.75 0.07 115.31 120.58 1rz1 h LEU 78 Ca 0.19 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1rz1 h LEU 78 Cb 0.38 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1rz1 h LEU 78 CO 0.01 0.95 0.00 -0.24 0.09 0.00 0.00 178.44 179.25 1rz1 n SER 79 N -4.30 0.00 0.00 -0.43 2.88 -0.95 -1.21 113.62 109.61 1rz1 n SER 79 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1rz1 n SER 79 Cb 0.21 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1rz1 n SER 79 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1rz1 n ASN 81 N 0.44 0.00 0.00 -3.46 5.15 0.01 -1.96 115.26 115.44 1rz1 n ASN 81 Ca 0.00 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.08 1rz1 n ASN 81 Cb 0.00 0.00 0.59 0.00 -0.53 0.00 0.00 39.78 39.84 1rz1 n ASN 81 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1rz1 n PHE 82 N 0.00 0.00 0.39 1.20 3.72 -0.35 -1.67 117.46 120.76 1rz1 n PHE 82 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1rz1 n PHE 82 Cb 0.00 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 38.71 1rz1 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rz1 n ALA 83 N -0.85 2.41 -2.04 4.37 0.00 -0.83 -1.10 120.51 122.48 1rz1 n ALA 83 Ca 0.15 -0.91 -0.10 0.00 0.00 0.00 0.00 53.44 52.58 1rz1 n ALA 83 Cb 0.07 -0.76 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 1rz1 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rz1 n GLY 84 N 1.28 0.15 0.52 0.00 0.00 -0.67 -4.94 105.19 101.54 1rz1 n GLY 84 Ca 0.16 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.79 1rz1 n GLY 84 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rz1 n GLN 85 N -2.08 1.53 -4.30 1.61 6.02 -1.26 -4.92 117.38 113.98 1rz1 n GLN 85 Ca -0.11 -1.09 -0.35 0.00 -0.01 0.00 0.00 57.00 55.44 1rz1 n GLN 85 Cb 0.55 -1.39 -0.09 0.00 1.02 0.00 0.00 30.24 30.33 1rz1 n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1rz1 s LEU 86 N -2.16 3.67 0.22 1.08 1.43 -1.26 -4.97 118.68 116.70 1rz1 s LEU 86 Ca 0.18 0.17 -0.08 0.00 -1.03 0.00 0.00 54.13 53.37 1rz1 s LEU 86 Cb 0.16 -1.85 0.19 0.00 0.03 0.00 0.00 46.19 44.72 1rz1 s LEU 86 CO 0.45 0.36 1.84 -0.33 0.23 0.00 0.00 176.35 178.90 1rz1 h GLU 87 N 5.30 1.21 -5.26 1.70 4.39 -2.00 -3.41 114.58 116.51 1rz1 h GLU 87 Ca -0.50 -0.15 -0.67 0.00 0.34 0.00 0.00 59.36 58.39 1rz1 h GLU 87 Cb 1.19 -0.23 -0.30 0.00 -0.10 0.00 0.00 28.75 29.31 1rz1 h GLU 87 CO 0.56 0.89 -0.82 0.21 -1.16 0.00 0.00 179.01 178.70 1rz1 s LYS 88 N -5.81 3.21 0.58 2.33 2.20 -1.26 -5.11 119.74 115.88 1rz1 s LYS 88 Ca -0.13 -0.77 -0.20 0.00 -0.36 0.00 0.00 55.97 54.52 1rz1 s LYS 88 Cb 0.16 -2.54 -0.04 0.00 -1.51 0.00 0.00 37.83 33.91 1rz1 s LYS 88 CO 0.82 0.11 1.26 -2.14 -0.36 0.00 0.00 175.35 175.04 1rz1 s PRO 89 N 0.57 3.00 0.38 4.03 0.02 -1.26 -5.02 135.00 136.72 1rz1 s PRO 89 Ca -0.10 1.97 -0.05 0.00 0.02 0.00 0.00 61.00 62.84 1rz1 s PRO 89 Cb -0.16 -2.04 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 1rz1 s PRO 89 CO 0.04 -1.22 0.66 0.14 -0.33 0.00 0.00 177.00 176.28 1rz1 s VAL 90 N -1.47 4.97 -0.66 3.83 -7.23 -1.26 -5.03 120.40 113.56 1rz1 s VAL 90 Ca 0.76 0.07 -0.25 0.00 -1.81 0.00 0.00 61.98 60.75 1rz1 s VAL 90 Cb -0.34 -3.80 0.05 0.00 0.56 0.00 0.00 36.38 32.84 1rz1 s VAL 90 CO 0.38 -0.57 1.08 -0.62 -0.31 0.00 0.00 175.10 175.06 1rz1 s ASP 91 N -3.64 6.23 -0.01 4.85 2.15 -1.26 -5.00 116.67 119.98 1rz1 s ASP 91 Ca 0.45 -0.59 -0.19 0.00 0.43 0.00 0.00 52.55 52.65 1rz1 s ASP 91 Cb -0.10 -2.48 -0.05 0.00 -0.30 0.00 0.00 42.92 39.99 1rz1 s ASP 91 CO 0.36 -1.53 0.54 -0.69 -0.17 0.00 0.00 175.17 173.68 1rz1 s VAL 92 N 4.65 4.95 -0.42 1.11 1.01 -1.26 -5.03 120.40 125.41 1rz1 s VAL 92 Ca 0.30 1.13 -0.24 0.00 0.00 0.00 0.00 61.98 63.16 1rz1 s VAL 92 Cb -0.12 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1rz1 s VAL 92 CO 0.15 0.45 0.84 -1.10 0.00 0.00 0.00 175.10 175.44 1rz1 s GLN 93 N -0.31 3.58 0.10 2.72 -1.52 -1.26 -5.05 119.66 117.92 1rz1 s GLN 93 Ca 0.29 0.16 0.01 0.00 -1.95 0.00 0.00 55.36 53.87 1rz1 s GLN 93 Cb -0.18 -3.89 -0.04 0.00 -0.22 0.00 0.00 33.01 28.69 1rz1 s GLN 93 CO 0.16 -1.06 0.22 -0.06 -0.25 0.00 0.00 175.29 174.29 1rz1 s PHE 94 N 3.40 3.46 0.00 0.91 0.40 -1.26 -2.01 117.98 122.88 1rz1 s PHE 94 Ca 0.33 0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.83 1rz1 s PHE 94 Cb -0.12 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.71 1rz1 s PHE 94 CO 0.22 0.55 0.00 -0.85 0.70 0.00 0.00 175.22 175.84 1rz1 n GLU 95 N -0.02 0.67 -4.59 0.44 0.28 0.36 -4.83 120.64 112.95 1rz1 n GLU 95 Ca -0.06 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.72 1rz1 n GLU 95 Cb 0.52 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.24 1rz1 n GLU 95 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1rz1 s GLU 96 N -0.62 1.08 -0.19 3.44 2.12 -1.26 -0.29 118.70 122.98 1rz1 s GLU 96 Ca 0.00 -0.51 -0.09 0.00 0.36 0.00 0.00 54.97 54.74 1rz1 s GLU 96 Cb 0.00 -1.05 0.07 0.00 0.26 0.00 0.00 34.13 33.42 1rz1 s GLU 96 CO 0.00 0.28 0.43 -1.17 -0.54 0.00 0.00 175.26 174.26 1rz1 s LEU 97 N -0.40 -0.37 -1.32 2.70 2.96 -0.18 -4.89 118.68 117.19 1rz1 s LEU 97 Ca 0.05 0.96 -0.03 0.00 -0.22 0.00 0.00 54.13 54.89 1rz1 s LEU 97 Cb -0.05 1.40 0.02 0.00 0.50 0.00 0.00 46.19 48.05 1rz1 s LEU 97 CO -0.00 -0.21 0.25 0.61 -1.32 0.00 0.00 176.35 175.67 1rz1 n GLY 98 N 4.74 -0.50 2.14 7.98 0.00 -1.26 -1.35 105.19 116.94 1rz1 n GLY 98 Ca -0.17 0.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 1rz1 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rz1 n GLY 99 N -1.08 0.45 3.62 -0.02 0.00 -1.26 -4.97 105.19 101.93 1rz1 n GLY 99 Ca -0.12 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1rz1 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rz1 s LEU 100 N -0.07 3.22 0.09 0.99 1.43 -0.45 -4.97 118.68 118.91 1rz1 s LEU 100 Ca 0.00 -0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 52.55 1rz1 s LEU 100 Cb 0.00 -1.95 -0.07 0.00 0.03 0.00 0.00 46.19 44.21 1rz1 s LEU 100 CO 0.00 0.21 1.27 -2.16 0.23 0.00 0.00 176.35 175.90 1rz1 s PRO 101 N -2.00 4.39 0.21 1.29 0.04 -1.26 -1.01 135.00 136.66 1rz1 s PRO 101 Ca 0.21 1.89 0.06 0.00 0.04 0.00 0.00 61.00 63.21 1rz1 s PRO 101 Cb -0.11 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 1rz1 s PRO 101 CO 0.13 -0.31 -0.10 0.14 0.04 0.00 0.00 177.00 176.90 1rz1 s VAL 102 N 1.00 1.47 -0.20 -0.36 -7.23 0.61 -4.68 120.40 111.01 1rz1 s VAL 102 Ca 0.60 -2.13 -0.19 0.00 -1.81 0.00 0.00 61.98 58.46 1rz1 s VAL 102 Cb -0.32 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 1rz1 s VAL 102 CO 0.30 -0.55 0.53 -0.63 -0.31 0.00 0.00 175.10 174.45 1rz1 s ILE 103 N -3.14 5.09 0.25 -0.62 1.01 -1.26 -0.48 121.20 122.04 1rz1 s ILE 103 Ca 0.23 0.99 -0.31 0.00 0.00 0.00 0.00 60.65 61.55 1rz1 s ILE 103 Cb 0.02 -3.86 -0.13 0.00 0.01 0.00 0.00 42.46 38.51 1rz1 s ILE 103 CO 0.06 0.17 1.55 1.17 0.00 0.00 0.00 174.94 177.89 1rz1 n LYS 104 N 4.82 2.42 -1.06 2.79 4.81 -0.85 -2.51 118.16 128.57 1rz1 n LYS 104 Ca -0.04 0.86 -0.02 0.00 -0.87 0.00 0.00 58.31 58.24 1rz1 n LYS 104 Cb 0.50 -2.61 -0.01 0.00 0.02 0.00 0.00 35.03 32.93 1rz1 n LYS 104 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1rz1 n ASP 105 N 2.58 -4.20 -4.66 3.14 8.00 -1.26 -4.98 116.55 115.17 1rz1 n ASP 105 Ca 0.12 0.06 -0.35 0.00 0.71 0.00 0.00 54.79 55.33 1rz1 n ASP 105 Cb 0.34 -1.89 0.11 0.00 -0.02 0.00 0.00 41.12 39.65 1rz1 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rz1 n ALA 106 N 1.04 -0.06 -0.20 2.24 0.00 -1.05 -4.71 120.51 117.77 1rz1 n ALA 106 Ca -0.02 -0.26 -0.06 0.00 0.00 0.00 0.00 53.44 53.10 1rz1 n ALA 106 Cb 0.23 -2.20 0.03 0.00 0.00 0.00 0.00 19.45 17.52 1rz1 n ALA 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rz1 h LEU 107 N -0.56 0.66 -7.50 0.00 5.85 -0.86 -3.44 115.31 109.46 1rz1 h LEU 107 Ca -0.47 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.12 1rz1 h LEU 107 Cb 1.31 -0.16 -0.19 0.00 0.37 0.00 0.00 40.66 41.99 1rz1 h LEU 107 CO 0.47 0.48 -0.25 0.00 -0.34 0.00 0.00 178.44 178.79 1rz1 s ALA 108 N -6.15 -0.80 -0.07 1.25 0.00 -1.11 -1.18 121.76 113.69 1rz1 s ALA 108 Ca -0.13 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1rz1 s ALA 108 Cb 0.13 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.39 1rz1 s ALA 108 CO 0.75 -0.29 -0.12 -0.65 0.00 0.00 0.00 175.76 175.44 1rz1 s GLN 109 N -1.56 1.76 -0.14 0.00 -0.21 0.80 -0.84 119.66 119.48 1rz1 s GLN 109 Ca -0.12 -0.42 -0.02 0.00 0.02 0.00 0.00 55.36 54.82 1rz1 s GLN 109 Cb -0.04 -1.49 0.04 0.00 1.00 0.00 0.00 33.01 32.52 1rz1 s GLN 109 CO 0.03 -0.01 -0.01 0.42 -2.12 0.00 0.00 175.29 173.61 1rz1 s ILE 110 N 0.79 0.65 -0.11 1.08 1.01 -0.53 -0.93 121.20 123.16 1rz1 s ILE 110 Ca -0.12 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 1rz1 s ILE 110 Cb -0.15 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.35 1rz1 s ILE 110 CO 0.02 0.09 0.24 -0.44 0.00 0.00 0.00 174.94 174.85 1rz1 s SER 111 N 1.83 6.48 0.05 3.58 0.01 -0.24 -0.35 113.70 125.06 1rz1 s SER 111 Ca 0.02 0.56 0.03 0.00 1.31 0.00 0.00 55.95 57.88 1rz1 s SER 111 Cb -0.15 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 1rz1 s SER 111 CO -0.07 0.29 -0.10 0.00 0.41 0.00 0.00 173.24 173.77 1rz1 s GLN 113 N -1.47 3.83 0.05 0.00 -1.52 -0.26 -2.18 119.66 118.12 1rz1 s GLN 113 Ca -0.05 -0.39 -0.31 0.00 -1.95 0.00 0.00 55.36 52.66 1rz1 s GLN 113 Cb -0.09 -3.11 -0.08 0.00 -0.22 0.00 0.00 33.01 29.51 1rz1 s GLN 113 CO 0.01 0.31 1.58 0.08 -0.25 0.00 0.00 175.29 177.02 1rz1 s VAL 114 N 0.25 3.20 -0.32 1.09 1.01 -0.05 -0.41 120.40 125.18 1rz1 s VAL 114 Ca 0.02 0.65 0.07 0.00 0.00 0.00 0.00 61.98 62.72 1rz1 s VAL 114 Cb -0.13 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.76 1rz1 s VAL 114 CO 0.01 0.00 0.29 1.33 0.00 0.00 0.00 175.10 176.73 1rz1 n VAL 115 N 4.68 0.00 -3.51 2.92 0.24 0.13 -4.90 118.33 117.88 1rz1 n VAL 115 Ca 0.15 -0.34 -0.15 0.00 -2.04 0.00 0.00 64.34 61.96 1rz1 n VAL 115 Cb 0.41 0.99 -0.05 0.00 -1.47 0.00 0.00 33.84 33.72 1rz1 n VAL 115 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1rz1 s ASN 116 N -1.66 -0.58 -0.17 -1.34 3.04 -1.17 -5.02 114.94 108.04 1rz1 s ASN 116 Ca 0.03 0.51 -0.04 0.00 0.04 0.00 0.00 52.86 53.39 1rz1 s ASN 116 Cb 0.05 0.50 0.07 0.00 -1.54 0.00 0.00 41.25 40.33 1rz1 s ASN 116 CO 0.28 -0.62 0.13 -0.70 -3.04 0.00 0.00 177.10 173.15 1rz1 s GLU 117 N -1.70 0.09 -0.16 0.43 2.12 -1.26 -1.62 118.70 116.60 1rz1 s GLU 117 Ca -0.07 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.34 1rz1 s GLU 117 Cb -0.00 -1.49 0.02 0.00 0.26 0.00 0.00 34.13 32.91 1rz1 s GLU 117 CO 0.04 -0.63 -0.19 0.08 -0.54 0.00 0.00 175.26 174.02 1rz1 s VAL 118 N 2.20 1.95 0.28 3.70 1.01 -0.36 -4.96 120.40 124.23 1rz1 s VAL 118 Ca 0.04 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1rz1 s VAL 118 Cb -0.15 -1.76 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 1rz1 s VAL 118 CO -0.09 0.52 1.02 -1.58 0.00 0.00 0.00 175.10 174.97 1rz1 s GLN 119 N 1.20 4.69 -0.32 2.72 0.74 -1.26 -0.36 119.66 127.06 1rz1 s GLN 119 Ca 0.02 1.63 0.01 0.00 0.05 0.00 0.00 55.36 57.07 1rz1 s GLN 119 Cb -0.14 -3.15 0.15 0.00 1.10 0.00 0.00 33.01 30.97 1rz1 s GLN 119 CO -0.09 0.31 0.34 0.00 -0.55 0.00 0.00 175.29 175.30 1rz1 s ALA 120 N -1.24 -0.56 0.00 1.58 0.00 0.40 -4.92 121.76 117.02 1rz1 s ALA 120 Ca 0.44 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1rz1 s ALA 120 Cb -0.28 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1rz1 s ALA 120 CO 0.35 -1.89 0.00 0.41 0.00 0.00 0.00 175.76 174.64 1rz1 n GLY 121 N 4.89 3.26 0.00 0.00 0.00 -1.26 -2.17 105.19 109.91 1rz1 n GLY 121 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1rz1 n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rz1 n ASP 122 N 4.31 0.00 -3.98 1.61 10.43 -1.26 -4.84 116.55 122.82 1rz1 n ASP 122 Ca 0.00 0.35 -0.08 0.00 2.57 0.00 0.00 54.79 57.63 1rz1 n ASP 122 Cb 0.00 -0.35 -0.09 0.00 1.84 0.00 0.00 41.12 42.52 1rz1 n ASP 122 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 1rz1 s HIS 123 N -2.68 0.34 -0.08 1.24 3.76 -0.92 -0.98 115.29 115.98 1rz1 s HIS 123 Ca 0.00 -0.84 0.04 0.00 -0.15 0.00 0.00 55.06 54.12 1rz1 s HIS 123 Cb 0.00 -0.23 -0.01 0.00 1.11 0.00 0.00 32.58 33.45 1rz1 s HIS 123 CO 0.00 -0.46 -0.22 0.99 -0.85 0.00 0.00 174.74 174.21 1rz1 s THR 124 N -3.89 2.34 -0.24 1.30 2.01 0.24 -0.46 115.64 116.94 1rz1 s THR 124 Ca 0.06 -0.95 -0.17 0.00 0.31 0.00 0.00 61.69 60.94 1rz1 s THR 124 Cb 0.07 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1rz1 s THR 124 CO -0.10 0.56 0.45 -0.76 -0.69 0.00 0.00 174.62 174.07 1rz1 s LEU 125 N -0.07 4.08 -0.35 4.42 1.43 0.52 -0.97 118.68 127.74 1rz1 s LEU 125 Ca -0.05 0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 53.42 1rz1 s LEU 125 Cb -0.14 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.54 1rz1 s LEU 125 CO 0.04 -0.20 0.15 -0.36 0.23 0.00 0.00 176.35 176.22 1rz1 s PHE 126 N 1.95 3.23 -0.12 0.29 0.08 -0.12 -1.22 117.98 122.07 1rz1 s PHE 126 Ca 0.19 -1.11 -0.21 0.00 0.12 0.00 0.00 56.93 55.93 1rz1 s PHE 126 Cb -0.15 -2.36 -0.04 0.00 -0.57 0.00 0.00 43.02 39.90 1rz1 s PHE 126 CO 0.09 -0.66 0.59 0.42 -0.10 0.00 0.00 175.22 175.56 1rz1 s ILE 127 N 1.50 5.10 -0.03 0.64 1.01 -0.64 -1.97 121.20 126.81 1rz1 s ILE 127 Ca 0.01 1.17 0.05 0.00 0.00 0.00 0.00 60.65 61.88 1rz1 s ILE 127 Cb -0.19 -3.92 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 1rz1 s ILE 127 CO 0.05 0.24 -0.17 -0.83 0.00 0.00 0.00 174.94 174.23 1rz1 s GLY 128 N 0.84 0.89 -0.18 6.18 0.00 0.82 -0.69 107.32 115.18 1rz1 s GLY 128 Ca 0.30 -0.73 -0.18 0.00 0.00 0.00 0.00 44.72 44.11 1rz1 s GLY 128 CO 0.13 -0.50 0.49 1.85 0.00 0.00 0.00 173.10 175.07 1rz1 s GLU 129 N -0.20 4.23 -0.04 2.90 2.12 0.46 -0.51 118.70 127.65 1rz1 s GLU 129 Ca 0.02 0.40 -0.30 0.00 0.36 0.00 0.00 54.97 55.45 1rz1 s GLU 129 Cb -0.09 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 1rz1 s GLU 129 CO 0.01 -0.05 1.16 0.08 -0.54 0.00 0.00 175.26 175.91 1rz1 s VAL 130 N 1.32 4.34 -0.15 3.70 1.01 -0.49 -1.10 120.40 129.04 1rz1 s VAL 130 Ca 0.24 1.66 0.10 0.00 0.00 0.00 0.00 61.98 63.98 1rz1 s VAL 130 Cb -0.15 -4.07 -0.16 0.00 0.00 0.00 0.00 36.38 32.00 1rz1 s VAL 130 CO 0.10 0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.57 1rz1 n THR 131 N 4.48 0.96 -3.81 3.92 -2.24 0.27 -4.90 114.28 112.96 1rz1 n THR 131 Ca 0.10 -0.54 -0.12 0.00 -2.27 0.00 0.00 64.05 61.21 1rz1 n THR 131 Cb 0.47 -0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 67.86 1rz1 n THR 131 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1rz1 s ASP 132 N -4.92 -0.13 -0.01 3.42 1.01 -1.21 -5.02 116.67 109.82 1rz1 s ASP 132 Ca -0.10 0.11 0.01 0.00 0.71 0.00 0.00 52.55 53.28 1rz1 s ASP 132 Cb 0.05 0.33 0.01 0.00 1.01 0.00 0.00 42.92 44.31 1rz1 s ASP 132 CO 0.53 -0.30 -0.03 -0.63 0.21 0.00 0.00 175.17 174.95 1rz1 s ILE 133 N -0.86 0.30 -0.03 0.77 1.01 -1.26 -1.08 121.20 120.06 1rz1 s ILE 133 Ca -0.09 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.46 1rz1 s ILE 133 Cb -0.05 -0.29 0.01 0.00 0.01 0.00 0.00 42.46 42.14 1rz1 s ILE 133 CO 0.02 0.11 -0.05 -0.75 0.00 0.00 0.00 174.94 174.27 1rz1 s LYS 134 N 0.21 0.65 0.07 2.79 2.47 -0.10 -4.99 119.74 120.84 1rz1 s LYS 134 Ca -0.02 -0.14 0.06 0.00 -1.56 0.00 0.00 55.97 54.31 1rz1 s LYS 134 Cb -0.05 -0.66 -0.03 0.00 -1.46 0.00 0.00 37.83 35.63 1rz1 s LYS 134 CO -0.00 0.01 -0.17 0.42 0.16 0.00 0.00 175.35 175.76 1rz1 s ILE 135 N 0.48 1.33 0.38 5.43 1.01 -1.26 -0.14 121.20 128.43 1rz1 s ILE 135 Ca -0.06 -1.29 0.04 0.00 0.00 0.00 0.00 60.65 59.34 1rz1 s ILE 135 Cb -0.10 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 1rz1 s ILE 135 CO -0.00 -0.09 0.10 0.42 0.00 0.00 0.00 174.94 175.37 1rz1 s THR 136 N -1.10 0.81 -0.34 2.92 -4.23 -0.33 -4.99 115.64 108.38 1rz1 s THR 136 Ca 0.02 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.61 1rz1 s THR 136 Cb -0.09 -2.49 0.63 0.00 1.34 0.00 0.00 72.50 71.88 1rz1 s THR 136 CO 0.03 0.00 1.70 -0.62 -0.54 0.00 0.00 174.62 175.19 1rz1 n GLU 137 N -0.84 2.59 -1.22 3.99 -0.58 -1.26 -4.89 120.64 118.44 1rz1 n GLU 137 Ca -0.05 -3.07 -0.30 0.00 -0.42 0.00 0.00 57.16 53.32 1rz1 n GLU 137 Cb 0.66 -2.05 0.12 0.00 -0.57 0.00 0.00 31.44 29.60 1rz1 n GLU 137 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1rz1 s GLN 138 N -3.16 1.67 0.26 3.49 -0.21 -1.26 -5.03 119.66 115.42 1rz1 s GLN 138 Ca 0.51 0.98 -0.21 0.00 0.02 0.00 0.00 55.36 56.66 1rz1 s GLN 138 Cb 0.43 -1.84 -0.09 0.00 1.00 0.00 0.00 33.01 32.51 1rz1 s GLN 138 CO 0.08 -2.00 0.79 -0.51 -2.12 0.00 0.00 175.29 171.53 1rz1 s ASP 139 N -3.40 7.10 0.19 5.90 1.01 -1.26 -5.00 116.67 121.22 1rz1 s ASP 139 Ca 0.62 1.52 -0.19 0.00 0.71 0.00 0.00 52.55 55.21 1rz1 s ASP 139 Cb -0.18 -2.46 -0.08 0.00 1.01 0.00 0.00 42.92 41.22 1rz1 s ASP 139 CO 0.57 -0.02 0.69 -2.16 0.21 0.00 0.00 175.17 174.45 1rz1 s PRO 140 N -2.11 4.23 0.24 8.23 0.04 -1.26 -0.79 135.00 143.59 1rz1 s PRO 140 Ca 0.46 0.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 1rz1 s PRO 140 Cb -0.16 -2.95 -0.10 0.00 0.04 0.00 0.00 34.50 31.33 1rz1 s PRO 140 CO 0.21 0.44 1.41 -1.17 0.04 0.00 0.00 177.00 177.94 1rz1 s LEU 141 N -1.83 4.39 0.16 -3.56 2.96 -0.95 -4.14 118.68 115.72 1rz1 s LEU 141 Ca 0.40 2.61 0.11 0.00 -0.22 0.00 0.00 54.13 57.03 1rz1 s LEU 141 Cb -0.17 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 1rz1 s LEU 141 CO 0.21 -0.67 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.57 1rz1 s LEU 142 N -0.30 2.38 -0.07 -0.68 1.43 -0.77 -3.35 118.68 117.32 1rz1 s LEU 142 Ca 0.59 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1rz1 s LEU 142 Cb -0.41 -1.11 0.02 0.00 0.03 0.00 0.00 46.19 44.72 1rz1 s LEU 142 CO 0.42 0.11 -0.08 0.12 0.23 0.00 0.00 176.35 177.15 1rz1 s PHE 143 N -1.46 1.23 -0.28 0.29 5.36 0.48 -0.79 117.98 122.82 1rz1 s PHE 143 Ca 0.16 -0.48 -0.20 0.00 -0.96 0.00 0.00 56.93 55.46 1rz1 s PHE 143 Cb -0.09 -0.99 0.08 0.00 -0.34 0.00 0.00 43.02 41.69 1rz1 s PHE 143 CO 0.08 -0.31 0.72 0.12 -1.46 0.00 0.00 175.22 174.36 1rz1 s PHE 144 N 1.04 -0.93 -1.62 10.12 5.36 -0.18 -1.57 117.98 130.20 1rz1 s PHE 144 Ca -0.08 2.01 -0.15 0.00 -0.96 0.00 0.00 56.93 57.75 1rz1 s PHE 144 Cb -0.14 0.47 0.12 0.00 -0.34 0.00 0.00 43.02 43.12 1rz1 s PHE 144 CO -0.00 -0.45 0.79 0.43 -1.46 0.00 0.00 175.22 174.52 1rz1 n SER 145 N 3.57 -3.25 0.00 6.13 7.64 -0.01 -1.53 113.62 126.17 1rz1 n SER 145 Ca -0.17 -0.95 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1rz1 n SER 145 Cb 0.57 -3.08 0.00 0.00 -1.01 0.00 0.00 64.21 60.69 1rz1 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rz1 n GLY 146 N -1.55 0.47 3.24 0.23 0.00 -1.26 -5.01 105.19 101.32 1rz1 n GLY 146 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1rz1 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rz1 s LYS 147 N -0.33 1.03 0.29 1.61 1.02 -0.58 -5.15 119.74 117.63 1rz1 s LYS 147 Ca 0.00 -1.28 -0.28 0.00 0.02 0.00 0.00 55.97 54.42 1rz1 s LYS 147 Cb 0.00 -0.85 -0.09 0.00 -0.52 0.00 0.00 37.83 36.36 1rz1 s LYS 147 CO 0.00 0.15 1.01 0.71 -0.92 0.00 0.00 175.35 176.31 1rz1 s TYR 148 N -2.36 3.70 0.22 3.18 2.02 -1.26 -1.01 117.35 121.84 1rz1 s TYR 148 Ca 0.10 1.78 -0.03 0.00 -0.37 0.00 0.00 57.07 58.56 1rz1 s TYR 148 Cb -0.04 -3.10 -0.03 0.00 -0.40 0.00 0.00 41.96 38.40 1rz1 s TYR 148 CO 0.03 -0.08 0.23 -1.01 -1.57 0.00 0.00 175.55 173.14 1rz1 s HIS 149 N -1.31 1.02 0.19 2.71 3.76 0.03 -4.93 115.29 116.76 1rz1 s HIS 149 Ca 0.46 -1.25 0.07 0.00 -0.15 0.00 0.00 55.06 54.19 1rz1 s HIS 149 Cb -0.26 -0.39 -0.04 0.00 1.11 0.00 0.00 32.58 32.99 1rz1 s HIS 149 CO 0.33 -0.75 -0.15 -0.65 -0.85 0.00 0.00 174.74 172.68 1rz1 s GLN 150 N -4.05 1.27 0.28 1.40 -0.21 -1.26 -1.85 119.66 115.24 1rz1 s GLN 150 Ca 0.35 -1.52 -0.29 0.00 0.02 0.00 0.00 55.36 53.92 1rz1 s GLN 150 Cb 0.05 -1.10 -0.10 0.00 1.00 0.00 0.00 33.01 32.86 1rz1 s GLN 150 CO 0.13 0.19 1.29 -0.51 -2.12 0.00 0.00 175.29 174.26 1rz1 s LEU 151 N -3.11 4.44 0.19 2.90 1.43 -1.26 -4.99 118.68 118.27 1rz1 s LEU 151 Ca 0.20 2.54 -0.33 0.00 -1.03 0.00 0.00 54.13 55.51 1rz1 s LEU 151 Cb -0.02 -3.63 -0.14 0.00 0.03 0.00 0.00 46.19 42.43 1rz1 s LEU 151 CO 0.06 -0.49 1.54 0.00 0.23 0.00 0.00 176.35 177.69 1rz1 n ALA 152 N 1.51 1.36 0.89 4.21 0.00 -1.26 -5.11 120.51 122.11 1rz1 n ALA 152 Ca 0.02 0.43 0.11 0.00 0.00 0.00 0.00 53.44 54.00 1rz1 n ALA 152 Cb 0.42 -2.34 0.09 0.00 0.00 0.00 0.00 19.45 17.62 1rz1 n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54