#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 0.41 -0.19 1.67 3.45 -2.05 -1.53 116.42 118.17 1rz1 h ASP 3 Ca 0.00 -0.21 -0.13 0.00 0.43 0.00 0.00 57.03 57.12 1rz1 h ASP 3 Cb 0.00 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.65 1rz1 h ASP 3 CO 0.00 0.87 -0.38 -0.09 -1.57 0.00 0.00 179.24 178.07 1rz1 h ARG 4 N 0.29 0.59 -0.58 3.56 2.43 -2.05 -1.72 114.38 116.90 1rz1 h ARG 4 Ca 0.01 -0.38 0.02 0.00 -0.81 0.00 0.00 59.98 58.81 1rz1 h ARG 4 Cb 1.03 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1rz1 h ARG 4 CO 0.09 0.99 0.37 1.25 -1.51 0.00 0.00 179.97 181.17 1rz1 h LEU 5 N 0.26 0.63 -0.37 3.80 5.85 -1.98 0.13 115.31 123.63 1rz1 h LEU 5 Ca 0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1rz1 h LEU 5 Cb 0.97 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1rz1 h LEU 5 CO 0.08 0.45 0.18 0.15 -0.34 0.00 0.00 178.44 178.96 1rz1 h PHE 6 N 0.75 0.54 -0.57 1.25 3.57 -1.30 -0.88 116.94 120.29 1rz1 h PHE 6 Ca 0.22 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 1rz1 h PHE 6 Cb -0.04 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1rz1 h PHE 6 CO -0.04 0.46 -0.02 0.00 -2.23 0.00 0.00 178.31 176.47 1rz1 h ARG 7 N 0.46 1.01 -0.64 1.11 3.08 -0.99 -2.63 114.38 115.78 1rz1 h ARG 7 Ca 0.13 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1rz1 h ARG 7 Cb 0.12 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1rz1 h ARG 7 CO -0.02 1.00 0.40 -0.91 -1.07 0.00 0.00 179.97 179.37 1rz1 h ASN 8 N 0.92 0.75 0.00 7.04 2.35 -0.67 -0.84 115.58 125.13 1rz1 h ASN 8 Ca 0.16 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1rz1 h ASN 8 Cb 0.56 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1rz1 h ASN 8 CO 0.03 0.57 0.00 0.00 -1.65 0.00 0.00 177.43 176.39 1rz1 n ALA 9 N -2.29 1.16 0.00 -0.83 0.00 -0.34 -2.73 120.51 115.48 1rz1 n ALA 9 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1rz1 n ALA 9 Cb 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.46 0.00 0.02 0.00 0.00 -0.32 -3.93 105.19 101.41 1rz1 n GLY 11 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.04 -3.16 1.61 4.76 -1.11 -0.82 118.16 119.48 1rz1 n LYS 12 Ca 0.00 0.15 -0.43 0.00 -2.87 0.00 0.00 58.31 55.16 1rz1 n LYS 12 Cb 0.00 -1.55 -0.07 0.00 -1.84 0.00 0.00 35.03 31.57 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 -3.03 3.08 0.45 2.13 5.36 -1.25 -4.93 117.98 119.78 1rz1 s PHE 13 Ca 0.10 -0.21 -0.22 0.00 -0.96 0.00 0.00 56.93 55.65 1rz1 s PHE 13 Cb 0.14 -3.30 -0.09 0.00 -0.34 0.00 0.00 43.02 39.44 1rz1 s PHE 13 CO 0.42 -0.87 1.04 0.00 -1.46 0.00 0.00 175.22 174.35 1rz1 s ALA 14 N 2.66 2.95 0.14 11.12 0.00 -1.26 -4.88 121.76 132.50 1rz1 s ALA 14 Ca 0.19 0.65 -0.04 0.00 0.00 0.00 0.00 51.96 52.76 1rz1 s ALA 14 Cb -0.16 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1rz1 s ALA 14 CO 0.17 -0.28 0.14 0.95 0.00 0.00 0.00 175.76 176.74 1rz1 s THR 15 N -1.86 0.09 0.36 0.00 -4.23 -0.83 -4.99 115.64 104.18 1rz1 s THR 15 Ca 0.64 -1.73 -0.06 0.00 -1.18 0.00 0.00 61.69 59.36 1rz1 s THR 15 Cb -0.18 -1.99 0.09 0.00 1.34 0.00 0.00 72.50 71.76 1rz1 s THR 15 CO 0.23 -0.39 0.36 0.61 -0.54 0.00 0.00 174.62 174.88 1rz1 n GLY 16 N -0.14 -2.25 3.00 3.99 0.00 -1.26 -0.73 105.19 107.80 1rz1 n GLY 16 Ca -0.06 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.68 0.79 0.29 1.61 1.01 -1.20 -4.55 120.40 116.66 1rz1 s VAL 17 Ca 0.22 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1rz1 s VAL 17 Cb -0.02 -0.71 -0.06 0.00 0.00 0.00 0.00 36.38 35.59 1rz1 s VAL 17 CO 0.17 0.25 -0.08 0.42 0.00 0.00 0.00 175.10 175.86 1rz1 s THR 18 N 0.26 1.85 -0.14 3.92 -4.23 -0.32 -0.92 115.64 116.06 1rz1 s THR 18 Ca -0.04 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.30 1rz1 s THR 18 Cb -0.09 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 1rz1 s THR 18 CO 0.01 -0.30 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.95 1rz1 s VAL 19 N -2.88 2.83 -0.06 2.29 1.01 0.76 -1.21 120.40 123.14 1rz1 s VAL 19 Ca 0.30 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 1rz1 s VAL 19 Cb 0.03 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1rz1 s VAL 19 CO 0.13 0.52 0.62 -0.63 0.00 0.00 0.00 175.10 175.73 1rz1 s ILE 20 N 0.57 5.04 0.09 2.22 -1.09 -1.26 -0.11 121.20 126.66 1rz1 s ILE 20 Ca -0.09 1.27 0.07 0.00 -2.23 0.00 0.00 60.65 59.67 1rz1 s ILE 20 Cb -0.16 -3.96 -0.03 0.00 -1.58 0.00 0.00 42.46 36.73 1rz1 s ILE 20 CO 0.03 0.32 -0.18 0.42 -1.23 0.00 0.00 174.94 174.30 1rz1 s THR 21 N 0.48 1.48 0.25 2.92 -4.23 0.31 -4.16 115.64 112.70 1rz1 s THR 21 Ca 0.33 -1.43 -0.09 0.00 -1.18 0.00 0.00 61.69 59.32 1rz1 s THR 21 Cb -0.17 -1.36 -0.01 0.00 1.34 0.00 0.00 72.50 72.29 1rz1 s THR 21 CO 0.16 -0.11 0.40 0.28 -0.54 0.00 0.00 174.62 174.81 1rz1 s THR 22 N -1.18 0.00 -0.09 3.99 -1.32 -0.34 -0.29 115.64 116.41 1rz1 s THR 22 Ca 0.03 -1.57 0.03 0.00 -1.21 0.00 0.00 61.69 58.97 1rz1 s THR 22 Cb -0.10 -2.33 0.01 0.00 -1.51 0.00 0.00 72.50 68.57 1rz1 s THR 22 CO 0.03 0.00 -0.17 -0.70 -2.21 0.00 0.00 174.62 171.57 1rz1 s GLU 23 N -3.91 2.36 -0.10 7.08 2.12 -1.26 -1.05 118.70 123.94 1rz1 s GLU 23 Ca 0.27 -0.63 -0.00 0.00 0.36 0.00 0.00 54.97 54.97 1rz1 s GLU 23 Cb 0.01 -1.89 0.02 0.00 0.26 0.00 0.00 34.13 32.53 1rz1 s GLU 23 CO 0.11 0.05 -0.07 -1.17 -0.54 0.00 0.00 175.26 173.64 1rz1 s LEU 24 N 0.66 1.17 -0.84 2.70 2.96 -0.17 -4.80 118.68 120.37 1rz1 s LEU 24 Ca -0.13 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1rz1 s LEU 24 Cb -0.16 -0.77 0.00 0.00 0.50 0.00 0.00 46.19 45.76 1rz1 s LEU 24 CO 0.04 -0.11 0.62 0.59 -1.32 0.00 0.00 176.35 176.17 1rz1 n ASN 25 N 4.79 -5.18 0.00 3.68 3.02 -1.26 -1.31 115.26 119.00 1rz1 n ASN 25 Ca -0.14 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1rz1 n ASN 25 Cb 0.50 -2.13 0.00 0.00 -0.61 0.00 0.00 39.78 37.55 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 -1.68 1.80 3.85 7.41 0.00 -1.26 -4.98 105.19 110.32 1rz1 n GLY 26 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 3.69 -0.20 4.61 0.00 -0.43 -5.07 121.76 124.36 1rz1 s ALA 27 Ca 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 1rz1 s ALA 27 Cb 0.00 -2.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 1rz1 s ALA 27 CO 0.00 0.51 0.19 0.08 0.00 0.00 0.00 175.76 176.55 1rz1 s VAL 28 N -1.27 5.36 -0.03 0.00 1.01 -1.26 -0.99 120.40 123.22 1rz1 s VAL 28 Ca 0.30 0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.65 1rz1 s VAL 28 Cb -0.15 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1rz1 s VAL 28 CO 0.16 0.40 -0.22 -1.00 0.00 0.00 0.00 175.10 174.44 1rz1 s HIS 29 N 0.58 2.00 0.02 5.22 3.76 -0.22 -5.00 115.29 121.65 1rz1 s HIS 29 Ca 0.11 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 1rz1 s HIS 29 Cb -0.12 -1.30 -0.00 0.00 1.11 0.00 0.00 32.58 32.27 1rz1 s HIS 29 CO 0.01 -0.08 0.01 0.41 -0.85 0.00 0.00 174.74 174.24 1rz1 n GLY 30 N 2.68 4.05 3.36 -2.22 0.00 -1.26 -1.20 105.19 110.60 1rz1 n GLY 30 Ca -0.16 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.71 3.03 -0.04 2.61 2.01 -0.30 -4.92 115.64 116.32 1rz1 s THR 32 Ca 0.01 -0.67 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 1rz1 s THR 32 Cb 0.00 -2.27 0.01 0.00 0.01 0.00 0.00 72.50 70.25 1rz1 s THR 32 CO 0.01 0.52 0.11 0.00 -0.69 0.00 0.00 174.62 174.58 1rz1 s ALA 33 N 0.37 -0.28 -0.37 7.40 0.00 -0.35 -4.87 121.76 123.68 1rz1 s ALA 33 Ca -0.11 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.22 1rz1 s ALA 33 Cb -0.16 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1rz1 s ALA 33 CO 0.06 -0.06 0.44 0.27 0.00 0.00 0.00 175.76 176.46 1rz1 n ASN 34 N 3.06 0.86 -4.45 0.00 6.94 -1.26 -1.17 115.26 119.24 1rz1 n ASN 34 Ca -0.13 -0.93 -0.44 0.00 -0.02 0.00 0.00 54.58 53.06 1rz1 n ASN 34 Cb 0.59 0.40 0.00 0.00 -2.36 0.00 0.00 39.78 38.41 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 -0.30 3.90 -2.30 -2.53 0.00 -1.26 -4.93 120.51 113.09 1rz1 n ALA 35 Ca 0.02 -4.15 -0.15 0.00 0.00 0.00 0.00 53.44 49.15 1rz1 n ALA 35 Cb 0.08 -3.19 -0.09 0.00 0.00 0.00 0.00 19.45 16.25 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 2.16 1.41 0.17 0.00 5.36 -1.26 -1.51 117.98 124.31 1rz1 s PHE 36 Ca 0.45 -1.49 -0.30 0.00 -0.96 0.00 0.00 56.93 54.63 1rz1 s PHE 36 Cb -0.00 -0.59 -0.07 0.00 -0.34 0.00 0.00 43.02 42.01 1rz1 s PHE 36 CO 0.02 -0.78 1.03 0.45 -1.46 0.00 0.00 175.22 174.48 1rz1 s SER 38 N -3.26 7.40 0.01 6.13 0.15 -1.26 -5.02 113.70 117.86 1rz1 s SER 38 Ca 0.39 1.98 -0.04 0.00 0.70 0.00 0.00 55.95 58.98 1rz1 s SER 38 Cb 0.04 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 1rz1 s SER 38 CO 0.19 -0.11 -0.07 0.52 1.20 0.00 0.00 173.24 174.98 1rz1 n VAL 39 N 2.31 0.90 -4.25 4.45 0.31 -0.56 -4.91 118.33 116.59 1rz1 n VAL 39 Ca 0.02 0.27 -0.19 0.00 -0.01 0.00 0.00 64.34 64.43 1rz1 n VAL 39 Cb 0.47 -1.61 -0.13 0.00 -0.91 0.00 0.00 33.84 31.67 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 -5.57 1.58 -0.20 4.52 0.15 -0.80 -4.97 113.70 108.41 1rz1 s SER 40 Ca -0.06 -0.52 -0.20 0.00 0.70 0.00 0.00 55.95 55.87 1rz1 s SER 40 Cb 0.01 -0.07 -0.17 0.00 -1.71 0.00 0.00 66.02 64.07 1rz1 s SER 40 CO 0.09 -0.03 0.17 -0.11 1.20 0.00 0.00 173.24 174.56 1rz1 n LEU 41 N 1.65 1.85 -3.94 3.45 7.94 -1.26 -1.15 117.00 125.55 1rz1 n LEU 41 Ca -0.19 0.44 -0.31 0.00 -1.11 0.00 0.00 56.01 54.84 1rz1 n LEU 41 Cb 0.55 -0.96 -0.15 0.00 0.53 0.00 0.00 43.42 43.39 1rz1 n LEU 41 CO 0.22 0.21 -0.37 0.20 -1.11 0.00 0.00 177.39 176.54 1rz1 s ASN 42 N -6.76 4.30 0.92 1.96 0.01 -1.26 -2.62 114.94 111.50 1rz1 s ASN 42 Ca -0.28 -1.67 -0.15 0.00 -0.71 0.00 0.00 52.86 50.06 1rz1 s ASN 42 Cb 0.06 -1.33 0.16 0.00 0.41 0.00 0.00 41.25 40.55 1rz1 s ASN 42 CO 0.55 -0.32 1.25 -2.16 -1.51 0.00 0.00 177.10 174.91 1rz1 s PRO 43 N 1.22 0.99 -0.67 -0.60 0.04 -1.26 -5.06 135.00 129.66 1rz1 s PRO 43 Ca 0.03 -0.17 -0.27 0.00 0.04 0.00 0.00 61.00 60.63 1rz1 s PRO 43 Cb -0.19 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.52 1rz1 s PRO 43 CO -0.11 -2.21 1.27 0.15 0.04 0.00 0.00 177.00 176.14 1rz1 s LYS 44 N -5.72 3.30 0.09 4.56 1.02 -1.08 -4.52 119.74 117.39 1rz1 s LYS 44 Ca 0.69 -0.01 0.08 0.00 0.02 0.00 0.00 55.97 56.76 1rz1 s LYS 44 Cb -0.07 -4.12 -0.03 0.00 -0.52 0.00 0.00 37.83 33.08 1rz1 s LYS 44 CO 0.52 -1.99 -0.20 -0.51 -0.92 0.00 0.00 175.35 172.25 1rz1 s LEU 45 N 5.57 2.28 0.06 3.17 1.43 -0.30 -1.45 118.68 129.44 1rz1 s LEU 45 Ca 0.40 -0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1rz1 s LEU 45 Cb -0.08 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1rz1 s LEU 45 CO 0.19 0.06 -0.04 0.54 0.23 0.00 0.00 176.35 177.34 1rz1 s VAL 46 N -1.13 0.32 0.00 -1.59 0.11 0.12 -1.49 120.40 116.73 1rz1 s VAL 46 Ca 0.06 -1.80 0.01 0.00 -2.93 0.00 0.00 61.98 57.32 1rz1 s VAL 46 Cb -0.10 -1.50 -0.00 0.00 -1.53 0.00 0.00 36.38 33.24 1rz1 s VAL 46 CO 0.04 -0.95 -0.03 -0.22 -3.33 0.00 0.00 175.10 170.61 1rz1 s LEU 47 N -2.88 2.04 0.07 2.54 0.20 -1.26 -0.70 118.68 118.68 1rz1 s LEU 47 Ca 0.07 -0.12 0.06 0.00 0.69 0.00 0.00 54.13 54.83 1rz1 s LEU 47 Cb 0.07 -0.09 -0.03 0.00 -0.43 0.00 0.00 46.19 45.71 1rz1 s LEU 47 CO -0.09 -0.02 -0.16 0.54 -0.29 0.00 0.00 176.35 176.33 1rz1 s VAL 48 N -0.28 1.27 -0.18 1.68 0.11 -0.98 -4.36 120.40 117.66 1rz1 s VAL 48 Ca -0.02 -1.28 -0.02 0.00 -2.93 0.00 0.00 61.98 57.74 1rz1 s VAL 48 Cb -0.02 -1.18 -0.00 0.00 -1.53 0.00 0.00 36.38 33.64 1rz1 s VAL 48 CO -0.00 -0.12 -0.11 -0.55 -3.33 0.00 0.00 175.10 171.00 1rz1 s SER 49 N -1.61 3.94 -0.07 3.54 0.15 -0.57 -0.96 113.70 118.12 1rz1 s SER 49 Ca 0.01 -0.43 0.05 0.00 0.70 0.00 0.00 55.95 56.28 1rz1 s SER 49 Cb -0.09 -1.64 -0.00 0.00 -1.71 0.00 0.00 66.02 62.57 1rz1 s SER 49 CO 0.02 0.05 -0.22 -0.63 1.20 0.00 0.00 173.24 173.66 1rz1 s ILE 50 N 1.06 1.86 0.39 6.45 1.01 -0.24 -4.78 121.20 126.96 1rz1 s ILE 50 Ca -0.00 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 59.45 1rz1 s ILE 50 Cb -0.15 -1.59 -0.09 0.00 0.01 0.00 0.00 42.46 40.64 1rz1 s ILE 50 CO -0.02 0.52 1.31 -0.83 0.00 0.00 0.00 174.94 175.91 1rz1 s GLY 51 N 0.12 2.93 0.54 6.18 0.00 -1.26 -0.28 107.32 115.54 1rz1 s GLY 51 Ca -0.10 1.24 0.25 0.00 0.00 0.00 0.00 44.72 46.12 1rz1 s GLY 51 CO 0.05 1.84 2.01 1.05 0.00 0.00 0.00 173.10 178.05 1rz1 h GLU 52 N 2.78 0.00 -0.13 2.90 4.11 -1.33 -0.79 114.58 122.11 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 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1rz1 h GLU 52 CO 0.63 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.34 1rz1 n LYS 53 N -4.32 1.87 -2.87 1.06 5.02 -1.26 -4.93 118.16 112.73 1rz1 n LYS 53 Ca 0.08 -1.30 -0.41 0.00 -2.02 0.00 0.00 58.31 54.67 1rz1 n LYS 53 Cb 0.56 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 34.09 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 -1.84 3.26 0.00 7.82 0.00 -0.31 -5.02 121.76 125.67 1rz1 s ALA 54 Ca 0.34 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1rz1 s ALA 54 Cb 0.19 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1rz1 s ALA 54 CO 0.30 -0.12 0.00 1.63 0.00 0.00 0.00 175.76 177.57 1rz1 n LYS 55 N 3.58 0.00 0.00 0.00 5.02 -1.26 -4.18 118.16 121.33 1rz1 n LYS 55 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1rz1 n LYS 55 Cb 0.51 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 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 1.47 0.00 -0.28 -0.35 0.00 -1.26 -3.17 117.00 113.41 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 0.07 0.00 0.00 0.00 0.00 43.42 43.49 1rz1 n LEU 57 CO 0.00 0.00 1.19 1.05 0.00 0.00 0.00 177.39 179.63 1rz1 h GLU 58 N 0.00 1.01 -0.71 1.96 9.09 -1.95 -1.49 114.58 122.49 1rz1 h GLU 58 Ca 0.00 -0.06 0.11 0.00 0.05 0.00 0.00 59.36 59.46 1rz1 h GLU 58 Cb 0.00 -0.23 -0.08 0.00 -1.65 0.00 0.00 28.75 26.79 1rz1 h GLU 58 CO 0.00 0.67 0.32 0.87 0.05 0.00 0.00 179.01 180.92 1rz1 h LYS 59 N 1.04 0.50 -0.11 1.06 1.79 -1.90 -0.68 116.57 118.28 1rz1 h LYS 59 Ca 0.28 -0.03 -0.20 0.00 -2.18 0.00 0.00 60.65 58.52 1rz1 h LYS 59 Cb -0.11 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.42 1rz1 h LYS 59 CO -0.06 0.33 -0.76 0.82 -1.08 0.00 0.00 179.45 178.70 1rz1 h ILE 60 N 0.51 1.34 -0.58 1.86 2.04 -1.79 -1.30 117.51 119.59 1rz1 h ILE 60 Ca 0.37 -2.07 0.03 0.00 1.00 0.00 0.00 64.86 64.19 1rz1 h ILE 60 Cb 0.47 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 1rz1 h ILE 60 CO -0.33 0.64 0.38 1.56 0.00 0.00 0.00 178.15 180.41 1rz1 h GLN 61 N 0.39 0.64 0.00 2.37 4.20 -0.28 0.16 115.11 122.59 1rz1 h GLN 61 Ca -0.04 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1rz1 h GLN 61 Cb 1.35 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 1rz1 h GLN 61 CO 0.14 0.43 -0.14 1.96 -0.67 0.00 0.00 178.83 180.54 1rz1 h GLN 62 N 0.66 0.00 0.00 1.46 4.20 -1.10 -3.37 115.11 116.97 1rz1 h GLN 62 Ca 0.23 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.88 1rz1 h GLN 62 Cb 0.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1rz1 h GLN 62 CO -0.06 0.85 -0.31 0.66 -0.67 0.00 0.00 178.83 179.30 1rz1 h SER 63 N -1.00 0.00 -1.36 1.46 4.64 -1.18 -3.46 113.55 112.64 1rz1 h SER 63 Ca -0.04 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.86 1rz1 h SER 63 Cb 0.90 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.84 1rz1 h SER 63 CO -0.02 0.31 -0.41 0.29 -0.87 0.00 0.00 176.83 176.13 1rz1 n LYS 64 N -3.69 -1.49 -3.90 4.77 4.76 0.55 -4.97 118.16 114.18 1rz1 n LYS 64 Ca -0.01 1.18 -0.09 0.00 -2.87 0.00 0.00 58.31 56.52 1rz1 n LYS 64 Cb 0.42 -5.61 -0.07 0.00 -1.84 0.00 0.00 35.03 27.93 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 0.87 0.05 1.97 -2.85 -1.26 -0.63 119.74 113.93 1rz1 s LYS 65 Ca 0.00 -1.02 -0.27 0.00 -1.00 0.00 0.00 55.97 53.68 1rz1 s LYS 65 Cb 0.00 0.34 0.07 0.00 -2.06 0.00 0.00 37.83 36.17 1rz1 s LYS 65 CO 0.00 -0.28 0.64 1.52 0.10 0.00 0.00 175.35 177.33 1rz1 s TYR 66 N -3.89 -0.60 0.10 1.78 -0.85 -0.96 -4.76 117.35 108.18 1rz1 s TYR 66 Ca 0.07 0.75 0.07 0.00 -0.52 0.00 0.00 57.07 57.45 1rz1 s TYR 66 Cb 0.05 0.47 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 1rz1 s TYR 66 CO -0.09 -0.72 -0.11 0.00 -1.52 0.00 0.00 175.55 173.12 1rz1 s ALA 67 N -2.36 2.93 -0.23 9.51 0.00 0.61 -0.38 121.76 131.85 1rz1 s ALA 67 Ca -0.06 -1.25 -0.06 0.00 0.00 0.00 0.00 51.96 50.60 1rz1 s ALA 67 Cb -0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 1rz1 s ALA 67 CO -0.01 0.64 0.02 0.08 0.00 0.00 0.00 175.76 176.50 1rz1 s VAL 68 N -1.20 4.01 -0.38 0.00 1.01 0.54 -0.53 120.40 123.85 1rz1 s VAL 68 Ca 0.21 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 1rz1 s VAL 68 Cb -0.11 -2.85 0.07 0.00 0.00 0.00 0.00 36.38 33.50 1rz1 s VAL 68 CO 0.13 0.39 0.18 0.20 0.00 0.00 0.00 175.10 176.00 1rz1 s ASN 69 N 1.35 5.39 -0.01 3.32 0.01 0.84 -1.47 114.94 124.38 1rz1 s ASN 69 Ca 0.05 -1.51 -0.30 0.00 -0.71 0.00 0.00 52.86 50.39 1rz1 s ASN 69 Cb -0.15 -1.89 -0.03 0.00 0.41 0.00 0.00 41.25 39.59 1rz1 s ASN 69 CO 0.02 -0.46 1.08 -0.63 -1.51 0.00 0.00 177.10 175.59 1rz1 s ILE 70 N 1.34 4.54 0.11 0.60 1.01 -0.29 -0.17 121.20 128.34 1rz1 s ILE 70 Ca 0.02 1.83 -0.15 0.00 0.00 0.00 0.00 60.65 62.35 1rz1 s ILE 70 Cb -0.22 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.01 1rz1 s ILE 70 CO 0.01 0.10 0.53 -0.76 0.00 0.00 0.00 174.94 174.81 1rz1 s LEU 71 N 1.36 4.39 0.67 2.97 1.43 -0.10 -0.41 118.68 129.00 1rz1 s LEU 71 Ca 0.54 1.08 -0.06 0.00 -1.03 0.00 0.00 54.13 54.66 1rz1 s LEU 71 Cb -0.23 -3.11 0.05 0.00 0.03 0.00 0.00 46.19 42.92 1rz1 s LEU 71 CO 0.26 0.16 0.98 -0.94 0.23 0.00 0.00 176.35 177.04 1rz1 s SER 72 N -1.54 4.98 0.59 2.29 1.04 -1.26 -2.07 113.70 117.72 1rz1 s SER 72 Ca 0.34 0.47 0.29 0.00 0.48 0.00 0.00 55.95 57.53 1rz1 s SER 72 Cb -0.16 -1.19 1.52 0.00 0.10 0.00 0.00 66.02 66.29 1rz1 s SER 72 CO 0.18 -1.48 1.95 -0.61 0.98 0.00 0.00 173.24 174.27 1rz1 h GLN 73 N -0.48 0.00 -0.09 4.02 4.15 -1.05 -1.30 115.11 120.36 1rz1 h GLN 73 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1rz1 h GLN 73 Cb 1.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1rz1 h GLN 73 CO 0.60 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.25 1rz1 n ASP 74 N -3.75 1.38 -0.77 -0.69 8.00 -1.26 -4.35 116.55 115.11 1rz1 n ASP 74 Ca 0.07 -1.57 0.03 0.00 0.71 0.00 0.00 54.79 54.02 1rz1 n ASP 74 Cb 0.58 -0.05 0.20 0.00 -0.02 0.00 0.00 41.12 41.82 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 0.11 1.81 -0.25 -1.24 6.02 -0.49 -4.72 117.38 118.62 1rz1 n GLN 75 Ca 0.17 -3.07 0.08 0.00 -0.01 0.00 0.00 57.00 54.17 1rz1 n GLN 75 Cb 0.31 -1.71 0.32 0.00 1.02 0.00 0.00 30.24 30.18 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 0.94 0.80 -0.30 -1.09 3.64 -1.76 -0.96 116.57 117.84 1rz1 h LYS 76 Ca 0.09 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1rz1 h LYS 76 Cb 1.32 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1rz1 h LYS 76 CO 0.18 0.53 -0.09 0.28 -2.27 0.00 0.00 179.45 178.08 1rz1 h VAL 77 N 0.82 1.22 -0.37 2.00 2.07 -1.96 -2.70 116.25 117.33 1rz1 h VAL 77 Ca 0.39 -0.95 -0.14 0.00 0.82 0.00 0.00 66.70 66.82 1rz1 h VAL 77 Cb 0.40 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1rz1 h VAL 77 CO -0.15 0.31 -0.32 -0.07 0.02 0.00 0.00 177.57 177.36 1rz1 h LEU 78 N 0.46 0.86 -0.41 2.57 3.38 -1.56 -0.24 115.31 120.38 1rz1 h LEU 78 Ca 0.09 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1rz1 h LEU 78 Cb 0.45 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1rz1 h LEU 78 CO 0.02 1.11 0.00 -0.24 0.09 0.00 0.00 178.44 179.42 1rz1 n SER 79 N -4.07 0.00 0.00 -0.43 2.88 -0.88 -1.29 113.62 109.82 1rz1 n SER 79 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1rz1 n SER 79 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.07 0.00 0.00 -3.46 5.15 -0.10 -2.02 115.26 114.76 1rz1 n ASN 81 Ca 0.00 0.00 0.15 0.00 -0.60 0.00 0.00 54.58 54.13 1rz1 n ASN 81 Cb 0.00 0.00 0.88 0.00 -0.53 0.00 0.00 39.78 40.13 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 0.82 1.20 3.72 -0.41 -2.25 117.46 120.54 1rz1 n PHE 82 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1rz1 n PHE 82 Cb 0.00 -0.02 0.24 0.00 -0.94 0.00 0.00 39.48 38.75 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 -1.02 2.47 -2.06 4.37 0.00 -0.85 -1.15 120.51 122.26 1rz1 n ALA 83 Ca 0.22 -0.76 -0.08 0.00 0.00 0.00 0.00 53.44 52.82 1rz1 n ALA 83 Cb 0.11 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 1.36 0.14 0.59 0.00 0.00 -0.95 -4.94 105.19 101.39 1rz1 n GLY 84 Ca 0.17 -0.58 0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.83 1.62 -4.50 1.61 6.02 -1.26 -4.91 117.38 114.12 1rz1 n GLN 85 Ca -0.09 -1.25 -0.34 0.00 -0.01 0.00 0.00 57.00 55.31 1rz1 n GLN 85 Cb 0.54 -1.37 -0.10 0.00 1.02 0.00 0.00 30.24 30.32 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 -1.98 3.36 0.18 1.08 1.43 -1.26 -4.97 118.68 116.52 1rz1 s LEU 86 Ca 0.19 0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.24 1rz1 s LEU 86 Cb 0.16 -1.75 0.10 0.00 0.03 0.00 0.00 46.19 44.72 1rz1 s LEU 86 CO 0.38 0.36 1.72 -0.33 0.23 0.00 0.00 176.35 178.71 1rz1 h GLU 87 N 5.25 1.02 -5.25 1.70 4.39 -2.00 -3.41 114.58 116.28 1rz1 h GLU 87 Ca -0.49 -0.22 -0.66 0.00 0.34 0.00 0.00 59.36 58.33 1rz1 h GLU 87 Cb 1.18 -0.15 -0.28 0.00 -0.10 0.00 0.00 28.75 29.40 1rz1 h GLU 87 CO 0.53 0.88 -0.78 0.21 -1.16 0.00 0.00 179.01 178.70 1rz1 s LYS 88 N -5.43 3.31 0.47 2.33 2.20 -1.26 -5.11 119.74 116.25 1rz1 s LYS 88 Ca -0.12 -0.71 -0.24 0.00 -0.36 0.00 0.00 55.97 54.53 1rz1 s LYS 88 Cb 0.14 -2.64 -0.07 0.00 -1.51 0.00 0.00 37.83 33.75 1rz1 s LYS 88 CO 0.82 0.11 1.31 -2.14 -0.36 0.00 0.00 175.35 175.10 1rz1 s PRO 89 N 0.59 3.62 0.41 4.03 0.02 -1.26 -5.01 135.00 137.40 1rz1 s PRO 89 Ca -0.08 2.14 -0.08 0.00 0.02 0.00 0.00 61.00 63.00 1rz1 s PRO 89 Cb -0.16 -2.51 -0.05 0.00 0.02 0.00 0.00 34.50 31.80 1rz1 s PRO 89 CO 0.03 -0.77 0.75 0.14 -0.33 0.00 0.00 177.00 176.82 1rz1 s VAL 90 N -1.32 4.85 -0.68 3.83 -7.23 -1.26 -5.02 120.40 113.57 1rz1 s VAL 90 Ca 0.63 0.44 -0.26 0.00 -1.81 0.00 0.00 61.98 60.99 1rz1 s VAL 90 Cb -0.38 -3.77 0.04 0.00 0.56 0.00 0.00 36.38 32.83 1rz1 s VAL 90 CO 0.47 -0.59 1.17 -0.62 -0.31 0.00 0.00 175.10 175.21 1rz1 s ASP 91 N -3.42 6.23 -0.02 4.85 2.15 -1.26 -4.99 116.67 120.20 1rz1 s ASP 91 Ca 0.49 -0.46 -0.17 0.00 0.43 0.00 0.00 52.55 52.84 1rz1 s ASP 91 Cb -0.10 -2.52 -0.05 0.00 -0.30 0.00 0.00 42.92 39.95 1rz1 s ASP 91 CO 0.35 -1.64 0.48 -0.69 -0.17 0.00 0.00 175.17 173.50 1rz1 s VAL 92 N 5.08 5.00 -0.46 1.11 1.01 -1.26 -5.03 120.40 125.85 1rz1 s VAL 92 Ca 0.33 0.99 -0.23 0.00 0.00 0.00 0.00 61.98 63.07 1rz1 s VAL 92 Cb -0.10 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.51 1rz1 s VAL 92 CO 0.16 0.49 0.79 -1.10 0.00 0.00 0.00 175.10 175.44 1rz1 s GLN 93 N -0.52 3.39 0.04 2.72 -1.52 -1.26 -5.04 119.66 117.47 1rz1 s GLN 93 Ca 0.26 -0.14 -0.00 0.00 -1.95 0.00 0.00 55.36 53.53 1rz1 s GLN 93 Cb -0.17 -3.95 -0.04 0.00 -0.22 0.00 0.00 33.01 28.63 1rz1 s GLN 93 CO 0.14 -1.14 0.16 -0.06 -0.25 0.00 0.00 175.29 174.14 1rz1 s PHE 94 N 3.31 3.43 0.00 0.91 0.40 -1.26 -1.82 117.98 122.95 1rz1 s PHE 94 Ca 0.29 0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.86 1rz1 s PHE 94 Cb -0.12 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.66 1rz1 s PHE 94 CO 0.22 0.58 0.00 -0.85 0.70 0.00 0.00 175.22 175.88 1rz1 n GLU 95 N 0.56 1.13 -4.56 0.44 0.28 0.25 -4.84 120.64 113.91 1rz1 n GLU 95 Ca -0.08 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.69 1rz1 n GLU 95 Cb 0.52 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.25 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 -1.02 1.22 -0.24 3.44 2.12 -1.26 -0.35 118.70 122.61 1rz1 s GLU 96 Ca 0.00 -0.83 -0.11 0.00 0.36 0.00 0.00 54.97 54.39 1rz1 s GLU 96 Cb 0.00 -1.28 0.09 0.00 0.26 0.00 0.00 34.13 33.20 1rz1 s GLU 96 CO 0.00 0.33 0.54 -1.17 -0.54 0.00 0.00 175.26 174.42 1rz1 s LEU 97 N -1.07 -0.71 -1.29 2.70 2.96 -0.15 -4.89 118.68 116.24 1rz1 s LEU 97 Ca 0.05 1.24 -0.07 0.00 -0.22 0.00 0.00 54.13 55.13 1rz1 s LEU 97 Cb -0.08 1.84 0.05 0.00 0.50 0.00 0.00 46.19 48.50 1rz1 s LEU 97 CO 0.01 -0.22 0.45 0.61 -1.32 0.00 0.00 176.35 175.88 1rz1 n GLY 98 N 4.86 -0.49 2.22 7.98 0.00 -1.26 -0.93 105.19 117.56 1rz1 n GLY 98 Ca -0.16 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.18 0.62 3.54 -0.02 0.00 -1.26 -4.95 105.19 101.93 1rz1 n GLY 99 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.88 0.10 0.99 1.43 -0.11 -4.95 118.68 119.02 1rz1 s LEU 100 Ca 0.00 -0.46 -0.31 0.00 -1.03 0.00 0.00 54.13 52.33 1rz1 s LEU 100 Cb 0.00 -1.70 -0.07 0.00 0.03 0.00 0.00 46.19 44.45 1rz1 s LEU 100 CO 0.00 0.18 1.27 -2.16 0.23 0.00 0.00 176.35 175.87 1rz1 s PRO 101 N -2.16 4.40 0.22 1.29 0.04 -1.26 -0.97 135.00 136.55 1rz1 s PRO 101 Ca 0.20 1.90 0.05 0.00 0.04 0.00 0.00 61.00 63.18 1rz1 s PRO 101 Cb -0.11 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1rz1 s PRO 101 CO 0.12 -0.30 -0.05 0.14 0.04 0.00 0.00 177.00 176.94 1rz1 s VAL 102 N 0.94 1.27 -0.23 -0.36 -7.23 0.52 -4.69 120.40 110.61 1rz1 s VAL 102 Ca 0.60 -2.08 -0.13 0.00 -1.81 0.00 0.00 61.98 58.56 1rz1 s VAL 102 Cb -0.33 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1rz1 s VAL 102 CO 0.31 -0.44 0.30 -0.63 -0.31 0.00 0.00 175.10 174.32 1rz1 s ILE 103 N -3.26 5.26 0.26 -0.62 1.01 -1.26 -0.58 121.20 121.99 1rz1 s ILE 103 Ca 0.25 0.46 -0.31 0.00 0.00 0.00 0.00 60.65 61.05 1rz1 s ILE 103 Cb 0.04 -3.63 -0.13 0.00 0.01 0.00 0.00 42.46 38.75 1rz1 s ILE 103 CO 0.07 0.26 1.49 1.17 0.00 0.00 0.00 174.94 177.94 1rz1 n LYS 104 N 4.63 2.30 -1.09 2.79 4.81 -0.75 -2.36 118.16 128.49 1rz1 n LYS 104 Ca -0.11 0.82 -0.03 0.00 -0.87 0.00 0.00 58.31 58.12 1rz1 n LYS 104 Cb 0.51 -2.53 -0.01 0.00 0.02 0.00 0.00 35.03 33.02 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 2.24 -4.21 -4.73 3.14 8.00 -1.26 -4.98 116.55 114.75 1rz1 n ASP 105 Ca 0.11 0.08 -0.36 0.00 0.71 0.00 0.00 54.79 55.32 1rz1 n ASP 105 Cb 0.33 -1.98 0.07 0.00 -0.02 0.00 0.00 41.12 39.53 1rz1 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rz1 s ALA 106 N -1.83 2.30 0.33 2.24 0.00 -0.99 -4.71 121.76 119.09 1rz1 s ALA 106 Ca 0.00 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.11 1rz1 s ALA 106 Cb 0.00 -3.53 0.66 0.00 0.00 0.00 0.00 23.12 20.25 1rz1 s ALA 106 CO 0.00 -1.67 1.90 1.25 0.00 0.00 0.00 175.76 177.24 1rz1 h LEU 107 N 0.30 0.79 -7.19 0.00 5.85 -1.00 -3.44 115.31 110.62 1rz1 h LEU 107 Ca -0.50 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.16 1rz1 h LEU 107 Cb 1.32 -0.14 -0.20 0.00 0.37 0.00 0.00 40.66 42.01 1rz1 h LEU 107 CO 0.52 0.47 0.00 0.00 -0.34 0.00 0.00 178.44 179.09 1rz1 s ALA 108 N -5.80 -1.39 -0.05 1.25 0.00 -1.12 -1.20 121.76 113.45 1rz1 s ALA 108 Ca -0.11 1.03 0.03 0.00 0.00 0.00 0.00 51.96 52.91 1rz1 s ALA 108 Cb 0.21 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1rz1 s ALA 108 CO 0.79 -0.32 -0.13 -0.65 0.00 0.00 0.00 175.76 175.45 1rz1 s GLN 109 N -1.03 1.53 -0.10 0.00 -0.21 0.13 -1.14 119.66 118.84 1rz1 s GLN 109 Ca -0.10 -0.44 -0.02 0.00 0.02 0.00 0.00 55.36 54.81 1rz1 s GLN 109 Cb -0.02 -1.31 0.04 0.00 1.00 0.00 0.00 33.01 32.71 1rz1 s GLN 109 CO 0.07 0.11 0.04 0.42 -2.12 0.00 0.00 175.29 173.81 1rz1 s ILE 110 N 0.37 0.16 -0.12 1.08 1.01 -0.54 -0.79 121.20 122.38 1rz1 s ILE 110 Ca -0.09 0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.56 1rz1 s ILE 110 Cb -0.13 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 1rz1 s ILE 110 CO 0.02 0.06 0.11 -0.44 0.00 0.00 0.00 174.94 174.70 1rz1 s SER 111 N 2.05 6.17 0.06 3.58 0.01 -0.20 -0.34 113.70 125.03 1rz1 s SER 111 Ca 0.04 0.40 0.02 0.00 1.31 0.00 0.00 55.95 57.71 1rz1 s SER 111 Cb -0.14 -1.97 -0.03 0.00 0.21 0.00 0.00 66.02 64.10 1rz1 s SER 111 CO -0.06 0.39 -0.07 0.00 0.41 0.00 0.00 173.24 173.92 1rz1 s GLN 113 N -2.36 3.45 0.01 0.00 -1.52 -0.21 -2.27 119.66 116.76 1rz1 s GLN 113 Ca -0.03 -0.65 -0.30 0.00 -1.95 0.00 0.00 55.36 52.43 1rz1 s GLN 113 Cb -0.04 -2.72 -0.07 0.00 -0.22 0.00 0.00 33.01 29.96 1rz1 s GLN 113 CO -0.02 0.19 1.60 0.08 -0.25 0.00 0.00 175.29 176.89 1rz1 s VAL 114 N 0.42 3.37 -0.35 1.09 1.01 0.20 -0.79 120.40 125.36 1rz1 s VAL 114 Ca -0.08 0.70 0.08 0.00 0.00 0.00 0.00 61.98 62.67 1rz1 s VAL 114 Cb -0.15 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.69 1rz1 s VAL 114 CO 0.04 -0.02 0.32 1.33 0.00 0.00 0.00 175.10 176.78 1rz1 n VAL 115 N 4.97 0.00 -3.55 2.92 0.24 0.01 -4.92 118.33 118.00 1rz1 n VAL 115 Ca 0.16 -0.30 -0.16 0.00 -2.04 0.00 0.00 64.34 62.00 1rz1 n VAL 115 Cb 0.42 0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 33.68 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 -1.85 -0.55 -0.11 -1.34 3.04 -1.16 -5.02 114.94 107.95 1rz1 s ASN 116 Ca 0.03 0.46 -0.04 0.00 0.04 0.00 0.00 52.86 53.35 1rz1 s ASN 116 Cb 0.06 0.51 0.05 0.00 -1.54 0.00 0.00 41.25 40.33 1rz1 s ASN 116 CO 0.33 -0.66 0.08 -0.70 -3.04 0.00 0.00 177.10 173.11 1rz1 s GLU 117 N -1.76 -0.00 -0.15 0.43 2.12 -1.26 -1.55 118.70 116.54 1rz1 s GLU 117 Ca -0.09 0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.41 1rz1 s GLU 117 Cb -0.01 -1.15 0.02 0.00 0.26 0.00 0.00 34.13 33.25 1rz1 s GLU 117 CO 0.04 -0.50 -0.16 0.08 -0.54 0.00 0.00 175.26 174.18 1rz1 s VAL 118 N 2.16 1.72 0.24 3.70 1.01 -0.48 -4.96 120.40 123.80 1rz1 s VAL 118 Ca 0.04 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1rz1 s VAL 118 Cb -0.14 -1.58 -0.09 0.00 0.00 0.00 0.00 36.38 34.57 1rz1 s VAL 118 CO -0.06 0.48 1.01 -1.58 0.00 0.00 0.00 175.10 174.95 1rz1 s GLN 119 N 1.28 4.76 -0.30 2.72 0.74 -1.26 -0.41 119.66 127.19 1rz1 s GLN 119 Ca 0.02 1.61 -0.01 0.00 0.05 0.00 0.00 55.36 57.03 1rz1 s GLN 119 Cb -0.13 -3.25 0.13 0.00 1.10 0.00 0.00 33.01 30.85 1rz1 s GLN 119 CO -0.09 0.37 0.27 0.00 -0.55 0.00 0.00 175.29 175.30 1rz1 s ALA 120 N -1.07 -0.26 0.00 1.58 0.00 0.74 -4.93 121.76 117.82 1rz1 s ALA 120 Ca 0.43 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1rz1 s ALA 120 Cb -0.28 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1rz1 s ALA 120 CO 0.35 -1.74 0.00 0.41 0.00 0.00 0.00 175.76 174.78 1rz1 n GLY 121 N 5.21 3.13 0.05 0.00 0.00 -1.26 -1.93 105.19 110.39 1rz1 n GLY 121 Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 3.18 0.11 -4.07 1.61 10.43 -1.26 -4.82 116.55 121.74 1rz1 n ASP 122 Ca 0.00 0.38 -0.07 0.00 2.57 0.00 0.00 54.79 57.67 1rz1 n ASP 122 Cb 0.00 -0.36 -0.10 0.00 1.84 0.00 0.00 41.12 42.50 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 -2.83 0.49 -0.08 1.24 3.76 -0.81 -0.83 115.29 116.22 1rz1 s HIS 123 Ca -0.00 -1.02 0.04 0.00 -0.15 0.00 0.00 55.06 53.92 1rz1 s HIS 123 Cb 0.01 -0.36 -0.01 0.00 1.11 0.00 0.00 32.58 33.33 1rz1 s HIS 123 CO 0.04 -0.39 -0.20 0.99 -0.85 0.00 0.00 174.74 174.33 1rz1 s THR 124 N -3.89 2.48 -0.33 1.30 2.01 0.61 -0.19 115.64 117.64 1rz1 s THR 124 Ca 0.07 -0.90 -0.16 0.00 0.31 0.00 0.00 61.69 61.01 1rz1 s THR 124 Cb 0.08 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 1rz1 s THR 124 CO -0.10 0.56 0.42 -0.76 -0.69 0.00 0.00 174.62 174.06 1rz1 s LEU 125 N -0.05 4.31 -0.45 4.42 1.43 0.45 -1.08 118.68 127.72 1rz1 s LEU 125 Ca -0.05 -0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 1rz1 s LEU 125 Cb -0.14 -2.46 0.04 0.00 0.03 0.00 0.00 46.19 43.66 1rz1 s LEU 125 CO 0.05 -0.36 0.41 -0.36 0.23 0.00 0.00 176.35 176.32 1rz1 s PHE 126 N 2.17 3.20 -0.01 0.29 0.08 -0.14 -1.38 117.98 122.19 1rz1 s PHE 126 Ca 0.15 -0.64 -0.23 0.00 0.12 0.00 0.00 56.93 56.33 1rz1 s PHE 126 Cb -0.16 -2.99 -0.05 0.00 -0.57 0.00 0.00 43.02 39.25 1rz1 s PHE 126 CO 0.12 -0.75 0.70 0.42 -0.10 0.00 0.00 175.22 175.61 1rz1 s ILE 127 N 1.91 4.91 -0.03 0.64 1.01 -0.59 -2.31 121.20 126.73 1rz1 s ILE 127 Ca 0.08 1.48 0.03 0.00 0.00 0.00 0.00 60.65 62.23 1rz1 s ILE 127 Cb -0.20 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1rz1 s ILE 127 CO 0.10 0.32 -0.10 -0.83 0.00 0.00 0.00 174.94 174.44 1rz1 s GLY 128 N 0.30 0.57 -0.14 6.18 0.00 0.12 -0.81 107.32 113.53 1rz1 s GLY 128 Ca 0.37 -0.37 -0.19 0.00 0.00 0.00 0.00 44.72 44.52 1rz1 s GLY 128 CO 0.20 -0.13 0.53 1.85 0.00 0.00 0.00 173.10 175.55 1rz1 s GLU 129 N 0.16 4.30 -0.05 2.90 2.12 0.03 -0.71 118.70 127.45 1rz1 s GLU 129 Ca -0.03 0.50 -0.30 0.00 0.36 0.00 0.00 54.97 55.50 1rz1 s GLU 129 Cb -0.09 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 1rz1 s GLU 129 CO 0.01 0.02 1.03 0.08 -0.54 0.00 0.00 175.26 175.86 1rz1 s VAL 130 N 1.05 4.71 -0.18 3.70 1.01 -0.53 -1.05 120.40 129.11 1rz1 s VAL 130 Ca 0.27 1.96 0.08 0.00 0.00 0.00 0.00 61.98 64.28 1rz1 s VAL 130 Cb -0.16 -4.26 -0.16 0.00 0.00 0.00 0.00 36.38 31.80 1rz1 s VAL 130 CO 0.11 0.08 -0.07 0.35 0.00 0.00 0.00 175.10 175.56 1rz1 n THR 131 N 4.25 1.15 -3.88 3.92 -2.24 -0.02 -4.90 114.28 112.55 1rz1 n THR 131 Ca 0.08 -0.56 -0.11 0.00 -2.27 0.00 0.00 64.05 61.19 1rz1 n THR 131 Cb 0.49 -0.92 -0.11 0.00 -2.10 0.00 0.00 70.33 67.69 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 -5.52 0.03 0.01 3.42 1.01 -1.22 -5.01 116.67 109.38 1rz1 s ASP 132 Ca -0.19 -0.15 0.02 0.00 0.71 0.00 0.00 52.55 52.95 1rz1 s ASP 132 Cb 0.06 0.20 -0.01 0.00 1.01 0.00 0.00 42.92 44.18 1rz1 s ASP 132 CO 0.56 -0.28 -0.08 -0.63 0.21 0.00 0.00 175.17 174.95 1rz1 s ILE 133 N -1.07 0.60 -0.04 0.77 1.01 -1.26 -1.03 121.20 120.19 1rz1 s ILE 133 Ca -0.12 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 1rz1 s ILE 133 Cb -0.06 -0.53 0.03 0.00 0.01 0.00 0.00 42.46 41.90 1rz1 s ILE 133 CO 0.01 0.05 0.07 -0.75 0.00 0.00 0.00 174.94 174.32 1rz1 s LYS 134 N -0.48 -0.01 0.11 2.79 2.20 0.03 -4.99 119.74 119.39 1rz1 s LYS 134 Ca 0.01 0.26 0.09 0.00 -0.36 0.00 0.00 55.97 55.97 1rz1 s LYS 134 Cb -0.04 -0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 35.98 1rz1 s LYS 134 CO -0.00 -0.19 -0.23 0.42 -0.36 0.00 0.00 175.35 174.99 1rz1 s ILE 135 N 1.24 1.93 0.41 5.43 1.01 -1.26 0.22 121.20 130.18 1rz1 s ILE 135 Ca -0.07 -1.62 0.04 0.00 0.00 0.00 0.00 60.65 58.99 1rz1 s ILE 135 Cb -0.13 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 1rz1 s ILE 135 CO -0.04 0.01 0.12 0.42 0.00 0.00 0.00 174.94 175.45 1rz1 s THR 136 N -1.11 0.66 -0.25 2.92 -4.23 -0.34 -4.99 115.64 108.30 1rz1 s THR 136 Ca 0.09 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.73 1rz1 s THR 136 Cb -0.10 -2.35 0.60 0.00 1.34 0.00 0.00 72.50 71.99 1rz1 s THR 136 CO 0.05 0.00 1.56 -0.62 -0.54 0.00 0.00 174.62 175.07 1rz1 n GLU 137 N -0.93 2.95 -1.16 3.99 -0.58 -1.26 -4.88 120.64 118.78 1rz1 n GLU 137 Ca -0.07 -3.01 -0.30 0.00 -0.42 0.00 0.00 57.16 53.36 1rz1 n GLU 137 Cb 0.65 -1.97 0.12 0.00 -0.57 0.00 0.00 31.44 29.68 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 -2.98 1.69 0.26 3.49 -0.21 -1.26 -5.03 119.66 115.62 1rz1 s GLN 138 Ca 0.47 1.08 -0.18 0.00 0.02 0.00 0.00 55.36 56.75 1rz1 s GLN 138 Cb 0.39 -1.84 -0.09 0.00 1.00 0.00 0.00 33.01 32.48 1rz1 s GLN 138 CO 0.08 -2.02 0.74 -0.51 -2.12 0.00 0.00 175.29 171.47 1rz1 s ASP 139 N -3.30 6.97 0.26 5.90 1.01 -1.26 -4.99 116.67 121.26 1rz1 s ASP 139 Ca 0.63 1.39 -0.21 0.00 0.71 0.00 0.00 52.55 55.07 1rz1 s ASP 139 Cb -0.18 -2.41 -0.09 0.00 1.01 0.00 0.00 42.92 41.25 1rz1 s ASP 139 CO 0.57 -0.06 0.79 -2.16 0.21 0.00 0.00 175.17 174.51 1rz1 s PRO 140 N -2.35 4.30 0.15 8.23 0.04 -1.26 -0.68 135.00 143.44 1rz1 s PRO 140 Ca 0.47 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 1rz1 s PRO 140 Cb -0.14 -2.78 -0.08 0.00 0.04 0.00 0.00 34.50 31.53 1rz1 s PRO 140 CO 0.20 0.32 1.30 -1.17 0.04 0.00 0.00 177.00 177.69 1rz1 s LEU 141 N -2.15 4.40 0.17 -3.56 2.96 -0.88 -4.12 118.68 115.50 1rz1 s LEU 141 Ca 0.47 2.30 0.09 0.00 -0.22 0.00 0.00 54.13 56.78 1rz1 s LEU 141 Cb -0.16 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 1rz1 s LEU 141 CO 0.21 -0.53 -0.15 -0.76 -1.32 0.00 0.00 176.35 173.79 1rz1 s LEU 142 N 0.37 2.77 -0.10 -0.68 1.43 -0.65 -3.27 118.68 118.55 1rz1 s LEU 142 Ca 0.59 -0.64 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1rz1 s LEU 142 Cb -0.35 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.38 1rz1 s LEU 142 CO 0.34 0.13 -0.07 0.12 0.23 0.00 0.00 176.35 177.10 1rz1 s PHE 143 N -1.54 1.37 -0.15 0.29 5.36 0.10 -1.04 117.98 122.36 1rz1 s PHE 143 Ca 0.22 -0.64 -0.13 0.00 -0.96 0.00 0.00 56.93 55.42 1rz1 s PHE 143 Cb -0.09 -1.15 0.04 0.00 -0.34 0.00 0.00 43.02 41.48 1rz1 s PHE 143 CO 0.13 -0.46 0.39 0.12 -1.46 0.00 0.00 175.22 173.94 1rz1 s PHE 144 N 1.62 -0.47 -1.62 10.12 5.36 -0.27 -1.97 117.98 130.74 1rz1 s PHE 144 Ca 0.03 1.10 -0.17 0.00 -0.96 0.00 0.00 56.93 56.93 1rz1 s PHE 144 Cb -0.13 0.17 0.15 0.00 -0.34 0.00 0.00 43.02 42.87 1rz1 s PHE 144 CO -0.07 -0.24 0.74 0.43 -1.46 0.00 0.00 175.22 174.63 1rz1 n SER 145 N 3.20 -3.35 0.00 6.13 7.64 -0.00 -1.09 113.62 126.14 1rz1 n SER 145 Ca -0.16 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 58.82 1rz1 n SER 145 Cb 0.57 -2.75 0.00 0.00 -1.01 0.00 0.00 64.21 61.01 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 -1.33 0.46 3.27 0.23 0.00 -1.26 -5.01 105.19 101.55 1rz1 n GLY 146 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.24 1.12 0.20 1.61 1.02 -0.25 -5.14 119.74 118.06 1rz1 s LYS 147 Ca 0.00 -1.41 -0.25 0.00 0.02 0.00 0.00 55.97 54.34 1rz1 s LYS 147 Cb 0.00 -0.87 -0.08 0.00 -0.52 0.00 0.00 37.83 36.36 1rz1 s LYS 147 CO 0.00 0.14 0.79 0.71 -0.92 0.00 0.00 175.35 176.07 1rz1 s TYR 148 N -2.77 3.84 0.26 3.18 2.02 -1.26 -1.12 117.35 121.51 1rz1 s TYR 148 Ca 0.15 1.62 -0.01 0.00 -0.37 0.00 0.00 57.07 58.46 1rz1 s TYR 148 Cb -0.01 -2.77 -0.03 0.00 -0.40 0.00 0.00 41.96 38.76 1rz1 s TYR 148 CO 0.03 0.45 0.27 -1.01 -1.57 0.00 0.00 175.55 173.72 1rz1 s HIS 149 N -1.27 1.17 0.13 2.71 3.76 -0.20 -4.93 115.29 116.66 1rz1 s HIS 149 Ca 0.39 -1.34 0.06 0.00 -0.15 0.00 0.00 55.06 54.02 1rz1 s HIS 149 Cb -0.22 -0.42 -0.04 0.00 1.11 0.00 0.00 32.58 33.02 1rz1 s HIS 149 CO 0.25 -0.82 -0.14 -0.65 -0.85 0.00 0.00 174.74 172.54 1rz1 s GLN 150 N -3.81 1.07 0.34 1.40 -0.21 -1.26 -1.64 119.66 115.54 1rz1 s GLN 150 Ca 0.36 -1.31 -0.28 0.00 0.02 0.00 0.00 55.36 54.15 1rz1 s GLN 150 Cb 0.04 -0.90 -0.10 0.00 1.00 0.00 0.00 33.01 33.04 1rz1 s GLN 150 CO 0.16 0.16 1.28 -0.51 -2.12 0.00 0.00 175.29 174.26 1rz1 s LEU 151 N -2.64 4.41 0.17 2.90 1.43 -1.26 -4.99 118.68 118.70 1rz1 s LEU 151 Ca 0.11 2.62 -0.32 0.00 -1.03 0.00 0.00 54.13 55.52 1rz1 s LEU 151 Cb -0.04 -3.69 -0.11 0.00 0.03 0.00 0.00 46.19 42.38 1rz1 s LEU 151 CO 0.03 -0.53 1.68 0.00 0.23 0.00 0.00 176.35 177.76 1rz1 s ALA 152 N -1.17 3.84 -2.93 4.21 0.00 -1.26 -5.12 121.76 119.33 1rz1 s ALA 152 Ca 0.50 1.47 0.25 0.00 0.00 0.00 0.00 51.96 54.17 1rz1 s ALA 152 Cb -0.38 -3.68 0.31 0.00 0.00 0.00 0.00 23.12 19.36 1rz1 s ALA 152 CO 0.50 -0.93 1.33 1.04 0.00 0.00 0.00 175.76 177.70