#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 0.34 -0.19 1.67 3.45 -2.05 -1.74 116.42 117.90 1rz1 h ASP 3 Ca 0.00 -0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.34 1rz1 h ASP 3 Cb 0.00 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 38.68 1rz1 h ASP 3 CO 0.00 0.32 -0.25 -0.09 -1.57 0.00 0.00 179.24 177.65 1rz1 h ARG 4 N 0.38 0.51 -0.50 3.56 2.43 -2.05 -1.42 114.38 117.29 1rz1 h ARG 4 Ca 0.10 -0.29 0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1rz1 h ARG 4 Cb 0.09 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 1rz1 h ARG 4 CO -0.01 0.88 0.21 1.25 -1.51 0.00 0.00 179.97 180.79 1rz1 h LEU 5 N 0.16 0.25 -0.43 3.80 5.85 -1.94 0.12 115.31 123.13 1rz1 h LEU 5 Ca 0.02 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1rz1 h LEU 5 Cb 0.82 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1rz1 h LEU 5 CO 0.06 0.17 0.22 0.15 -0.34 0.00 0.00 178.44 178.70 1rz1 h PHE 6 N 0.40 0.60 -0.48 1.25 3.57 -1.30 -0.13 116.94 120.85 1rz1 h PHE 6 Ca 0.24 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.60 1rz1 h PHE 6 Cb 0.22 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1rz1 h PHE 6 CO -0.14 0.48 -0.12 0.00 -2.23 0.00 0.00 178.31 176.30 1rz1 h ARG 7 N 0.55 0.94 -0.32 1.11 3.08 -0.95 -2.76 114.38 116.03 1rz1 h ARG 7 Ca 0.15 -0.36 0.04 0.00 0.07 0.00 0.00 59.98 59.87 1rz1 h ARG 7 Cb 0.09 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1rz1 h ARG 7 CO -0.02 1.02 0.10 -0.91 -1.07 0.00 0.00 179.97 179.09 1rz1 h ASN 8 N 0.79 0.09 0.00 7.04 2.35 -0.64 -0.02 115.58 125.19 1rz1 h ASN 8 Ca 0.12 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1rz1 h ASN 8 Cb 0.68 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1rz1 h ASN 8 CO 0.05 0.09 0.00 0.00 -1.65 0.00 0.00 177.43 175.92 1rz1 n ALA 9 N -2.33 0.86 0.00 -0.83 0.00 -0.07 -2.68 120.51 115.46 1rz1 n ALA 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rz1 n ALA 9 Cb 0.12 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.25 0.00 0.00 0.00 0.00 -0.02 -4.02 105.19 101.40 1rz1 n GLY 11 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.37 -3.37 1.61 4.76 -1.09 -0.17 118.16 120.28 1rz1 n LYS 12 Ca 0.00 0.05 -0.44 0.00 -2.87 0.00 0.00 58.31 55.05 1rz1 n LYS 12 Cb 0.00 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.61 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 -2.53 3.21 0.54 2.13 5.36 -1.26 -4.93 117.98 120.50 1rz1 s PHE 13 Ca 0.24 -0.75 -0.19 0.00 -0.96 0.00 0.00 56.93 55.26 1rz1 s PHE 13 Cb 0.16 -3.07 -0.06 0.00 -0.34 0.00 0.00 43.02 39.71 1rz1 s PHE 13 CO 0.36 -0.78 1.11 0.00 -1.46 0.00 0.00 175.22 174.46 1rz1 s ALA 14 N 1.83 2.72 0.10 11.12 0.00 -1.26 -4.87 121.76 131.40 1rz1 s ALA 14 Ca 0.06 0.78 -0.08 0.00 0.00 0.00 0.00 51.96 52.72 1rz1 s ALA 14 Cb -0.22 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 1rz1 s ALA 14 CO 0.09 -0.70 0.19 0.95 0.00 0.00 0.00 175.76 176.29 1rz1 s THR 15 N -1.83 0.13 0.48 0.00 -4.23 -0.74 -5.01 115.64 104.45 1rz1 s THR 15 Ca 0.72 -1.27 -0.08 0.00 -1.18 0.00 0.00 61.69 59.88 1rz1 s THR 15 Cb -0.22 -1.46 0.12 0.00 1.34 0.00 0.00 72.50 72.28 1rz1 s THR 15 CO 0.26 -0.59 0.40 0.61 -0.54 0.00 0.00 174.62 174.76 1rz1 n GLY 16 N -0.08 -2.81 2.97 3.99 0.00 -1.26 -0.66 105.19 107.34 1rz1 n GLY 16 Ca -0.13 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.69 0.69 0.38 1.61 1.01 -1.19 -4.55 120.40 116.66 1rz1 s VAL 17 Ca 0.27 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.03 1rz1 s VAL 17 Cb -0.03 -0.63 -0.07 0.00 0.00 0.00 0.00 36.38 35.65 1rz1 s VAL 17 CO 0.21 0.23 -0.03 0.42 0.00 0.00 0.00 175.10 175.92 1rz1 s THR 18 N 0.30 2.06 -0.13 3.92 -4.23 -0.33 -1.17 115.64 116.06 1rz1 s THR 18 Ca -0.04 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 58.41 1rz1 s THR 18 Cb -0.09 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1rz1 s THR 18 CO 0.00 -0.08 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.11 1rz1 s VAL 19 N -2.70 2.28 -0.13 2.29 1.01 0.39 -1.45 120.40 122.09 1rz1 s VAL 19 Ca 0.34 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 1rz1 s VAL 19 Cb 0.07 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1rz1 s VAL 19 CO 0.17 0.54 0.64 -0.63 0.00 0.00 0.00 175.10 175.82 1rz1 s ILE 20 N 0.59 5.05 0.25 2.22 -1.09 -1.26 -0.30 121.20 126.66 1rz1 s ILE 20 Ca -0.11 1.26 0.12 0.00 -2.23 0.00 0.00 60.65 59.68 1rz1 s ILE 20 Cb -0.16 -3.97 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 1rz1 s ILE 20 CO 0.03 0.20 -0.21 0.42 -1.23 0.00 0.00 174.94 174.15 1rz1 s THR 21 N 1.27 2.41 0.32 2.92 -4.23 -0.04 -4.22 115.64 114.07 1rz1 s THR 21 Ca 0.32 -2.28 -0.15 0.00 -1.18 0.00 0.00 61.69 58.40 1rz1 s THR 21 Cb -0.16 -2.23 0.03 0.00 1.34 0.00 0.00 72.50 71.47 1rz1 s THR 21 CO 0.13 -0.32 0.67 0.28 -0.54 0.00 0.00 174.62 174.85 1rz1 s THR 22 N -2.25 0.00 -0.08 3.99 -1.32 -0.50 -0.30 115.64 115.17 1rz1 s THR 22 Ca 0.27 -1.15 0.01 0.00 -1.21 0.00 0.00 61.69 59.61 1rz1 s THR 22 Cb -0.06 -2.41 0.02 0.00 -1.51 0.00 0.00 72.50 68.54 1rz1 s THR 22 CO 0.13 0.00 -0.10 -0.70 -2.21 0.00 0.00 174.62 171.74 1rz1 s GLU 23 N -3.29 1.60 0.07 7.08 2.12 -1.26 -1.13 118.70 123.89 1rz1 s GLU 23 Ca 0.17 -0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.18 1rz1 s GLU 23 Cb -0.04 -1.46 -0.03 0.00 0.26 0.00 0.00 34.13 32.86 1rz1 s GLU 23 CO 0.10 -0.10 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.49 1rz1 s LEU 24 N 1.10 2.40 -1.64 2.70 2.96 -0.52 -4.80 118.68 120.87 1rz1 s LEU 24 Ca -0.06 -0.80 0.00 0.00 -0.22 0.00 0.00 54.13 53.04 1rz1 s LEU 24 Cb -0.14 -0.07 0.00 0.00 0.50 0.00 0.00 46.19 46.48 1rz1 s LEU 24 CO -0.01 -0.37 0.00 0.59 -1.32 0.00 0.00 176.35 175.24 1rz1 n ASN 25 N 0.65 -5.15 -1.44 3.68 3.02 -1.26 0.06 115.26 114.82 1rz1 n ASN 25 Ca -0.17 0.15 -0.15 0.00 -0.03 0.00 0.00 54.58 54.37 1rz1 n ASN 25 Cb 0.58 -4.38 -0.04 0.00 -0.61 0.00 0.00 39.78 35.33 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 -0.80 0.70 2.95 7.41 0.00 -1.26 -5.00 105.19 109.19 1rz1 n GLY 26 Ca -0.21 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.66 0.29 -0.19 4.61 0.00 0.11 -5.14 121.76 118.77 1rz1 s ALA 27 Ca 0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 51.96 51.54 1rz1 s ALA 27 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1rz1 s ALA 27 CO 0.00 0.02 0.31 0.08 0.00 0.00 0.00 175.76 176.17 1rz1 s VAL 28 N -0.43 5.27 0.01 0.00 1.01 -1.26 -1.44 120.40 123.56 1rz1 s VAL 28 Ca -0.02 0.53 0.08 0.00 0.00 0.00 0.00 61.98 62.57 1rz1 s VAL 28 Cb -0.04 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1rz1 s VAL 28 CO -0.00 0.32 -0.25 -1.00 0.00 0.00 0.00 175.10 174.17 1rz1 s HIS 29 N 0.94 2.35 0.16 5.22 3.76 -0.28 -5.00 115.29 122.44 1rz1 s HIS 29 Ca 0.16 -0.41 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 1rz1 s HIS 29 Cb -0.14 -1.46 -0.01 0.00 1.11 0.00 0.00 32.58 32.08 1rz1 s HIS 29 CO 0.05 0.05 0.09 0.41 -0.85 0.00 0.00 174.74 174.49 1rz1 n GLY 30 N 2.13 3.64 3.31 -2.22 0.00 -1.26 -1.41 105.19 109.38 1rz1 n GLY 30 Ca -0.16 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.39 2.94 0.00 2.61 2.01 0.12 -4.93 115.64 116.00 1rz1 s THR 32 Ca 0.13 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1rz1 s THR 32 Cb 0.01 -2.26 -0.00 0.00 0.01 0.00 0.00 72.50 70.25 1rz1 s THR 32 CO 0.09 0.50 -0.03 0.00 -0.69 0.00 0.00 174.62 174.49 1rz1 s ALA 33 N 0.75 0.26 -0.22 7.40 0.00 -0.53 -4.88 121.76 124.55 1rz1 s ALA 33 Ca -0.05 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 51.75 1rz1 s ALA 33 Cb -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1rz1 s ALA 33 CO 0.01 0.05 0.41 0.27 0.00 0.00 0.00 175.76 176.49 1rz1 n ASN 34 N 2.86 0.81 -4.21 0.00 6.94 -1.26 -1.19 115.26 119.21 1rz1 n ASN 34 Ca -0.14 -0.91 -0.43 0.00 -0.02 0.00 0.00 54.58 53.09 1rz1 n ASN 34 Cb 0.59 0.34 0.00 0.00 -2.36 0.00 0.00 39.78 38.35 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 -0.27 4.48 -2.32 -2.53 0.00 -1.26 -4.94 120.51 113.66 1rz1 n ALA 35 Ca 0.01 -4.13 -0.18 0.00 0.00 0.00 0.00 53.44 49.14 1rz1 n ALA 35 Cb 0.05 -3.22 -0.09 0.00 0.00 0.00 0.00 19.45 16.19 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 2.01 1.57 0.05 0.00 5.36 -1.26 -1.44 117.98 124.27 1rz1 s PHE 36 Ca 0.45 -1.38 -0.19 0.00 -0.96 0.00 0.00 56.93 54.85 1rz1 s PHE 36 Cb 0.05 -0.83 -0.06 0.00 -0.34 0.00 0.00 43.02 41.84 1rz1 s PHE 36 CO 0.01 -0.54 0.55 0.45 -1.46 0.00 0.00 175.22 174.22 1rz1 s SER 38 N -3.35 7.01 -0.01 6.13 0.15 -1.26 -5.02 113.70 117.35 1rz1 s SER 38 Ca 0.36 1.20 -0.07 0.00 0.70 0.00 0.00 55.95 58.15 1rz1 s SER 38 Cb 0.05 -2.34 -0.02 0.00 -1.71 0.00 0.00 66.02 61.99 1rz1 s SER 38 CO 0.17 0.25 -0.13 0.52 1.20 0.00 0.00 173.24 175.26 1rz1 n VAL 39 N 1.91 1.30 -4.05 4.45 0.31 -0.44 -4.92 118.33 116.89 1rz1 n VAL 39 Ca -0.10 0.29 -0.13 0.00 -0.01 0.00 0.00 64.34 64.39 1rz1 n VAL 39 Cb 0.51 -1.86 -0.12 0.00 -0.91 0.00 0.00 33.84 31.46 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 -5.96 0.59 -0.20 4.52 0.15 -0.86 -4.97 113.70 106.96 1rz1 s SER 40 Ca -0.11 -0.37 -0.17 0.00 0.70 0.00 0.00 55.95 56.00 1rz1 s SER 40 Cb 0.02 0.02 -0.19 0.00 -1.71 0.00 0.00 66.02 64.15 1rz1 s SER 40 CO 0.16 -0.13 0.15 -0.11 1.20 0.00 0.00 173.24 174.51 1rz1 n LEU 41 N 2.04 2.05 -3.88 3.45 7.94 -1.26 -1.08 117.00 126.25 1rz1 n LEU 41 Ca -0.19 0.36 -0.30 0.00 -1.11 0.00 0.00 56.01 54.76 1rz1 n LEU 41 Cb 0.56 -0.97 -0.15 0.00 0.53 0.00 0.00 43.42 43.38 1rz1 n LEU 41 CO 0.22 0.44 -0.38 0.20 -1.11 0.00 0.00 177.39 176.77 1rz1 s ASN 42 N -6.97 3.98 0.89 1.96 0.01 -1.26 -2.69 114.94 110.86 1rz1 s ASN 42 Ca -0.29 -1.44 -0.13 0.00 -0.71 0.00 0.00 52.86 50.29 1rz1 s ASN 42 Cb 0.07 -1.13 0.14 0.00 0.41 0.00 0.00 41.25 40.74 1rz1 s ASN 42 CO 0.61 -0.31 1.20 -2.16 -1.51 0.00 0.00 177.10 174.92 1rz1 s PRO 43 N 1.40 1.25 -0.64 -0.60 0.04 -1.26 -5.05 135.00 130.14 1rz1 s PRO 43 Ca 0.01 0.03 -0.27 0.00 0.04 0.00 0.00 61.00 60.81 1rz1 s PRO 43 Cb -0.18 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1rz1 s PRO 43 CO -0.11 -2.07 1.51 0.15 0.04 0.00 0.00 177.00 176.52 1rz1 s LYS 44 N -5.56 3.04 0.11 4.56 1.02 -1.09 -4.55 119.74 117.26 1rz1 s LYS 44 Ca 0.66 0.25 0.08 0.00 0.02 0.00 0.00 55.97 56.98 1rz1 s LYS 44 Cb -0.10 -4.23 -0.04 0.00 -0.52 0.00 0.00 37.83 32.94 1rz1 s LYS 44 CO 0.51 -2.28 -0.20 -0.51 -0.92 0.00 0.00 175.35 171.95 1rz1 s LEU 45 N 6.94 2.31 0.05 3.17 1.43 -0.24 -1.36 118.68 130.98 1rz1 s LEU 45 Ca 0.51 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1rz1 s LEU 45 Cb -0.10 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1rz1 s LEU 45 CO 0.20 0.04 -0.03 0.54 0.23 0.00 0.00 176.35 177.32 1rz1 s VAL 46 N -1.28 0.26 -0.00 -1.59 0.11 0.09 -1.33 120.40 116.67 1rz1 s VAL 46 Ca 0.07 -1.82 0.01 0.00 -2.93 0.00 0.00 61.98 57.31 1rz1 s VAL 46 Cb -0.09 -1.53 -0.00 0.00 -1.53 0.00 0.00 36.38 33.23 1rz1 s VAL 46 CO 0.04 -0.99 -0.02 -0.22 -3.33 0.00 0.00 175.10 170.59 1rz1 s LEU 47 N -2.92 2.01 0.10 2.54 0.20 -1.26 -0.19 118.68 119.16 1rz1 s LEU 47 Ca 0.07 -0.05 0.05 0.00 0.69 0.00 0.00 54.13 54.90 1rz1 s LEU 47 Cb 0.08 -0.09 -0.03 0.00 -0.43 0.00 0.00 46.19 45.71 1rz1 s LEU 47 CO -0.10 0.01 -0.14 0.54 -0.29 0.00 0.00 176.35 176.37 1rz1 s VAL 48 N -0.10 1.22 -0.15 1.68 0.11 -0.72 -4.39 120.40 118.04 1rz1 s VAL 48 Ca 0.00 -1.52 0.02 0.00 -2.93 0.00 0.00 61.98 57.54 1rz1 s VAL 48 Cb -0.01 -1.32 0.02 0.00 -1.53 0.00 0.00 36.38 33.54 1rz1 s VAL 48 CO -0.00 -0.33 -0.20 -0.55 -3.33 0.00 0.00 175.10 170.70 1rz1 s SER 49 N -2.11 3.00 -0.07 3.54 0.15 -0.52 -0.96 113.70 116.72 1rz1 s SER 49 Ca 0.04 -0.59 0.04 0.00 0.70 0.00 0.00 55.95 56.14 1rz1 s SER 49 Cb -0.07 -1.39 -0.00 0.00 -1.71 0.00 0.00 66.02 62.84 1rz1 s SER 49 CO 0.02 0.03 -0.21 -0.63 1.20 0.00 0.00 173.24 173.66 1rz1 s ILE 50 N 1.09 1.76 0.41 6.45 1.01 -0.05 -4.80 121.20 127.07 1rz1 s ILE 50 Ca -0.01 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 59.52 1rz1 s ILE 50 Cb -0.14 -1.52 -0.08 0.00 0.01 0.00 0.00 42.46 40.72 1rz1 s ILE 50 CO -0.07 0.49 1.27 -0.83 0.00 0.00 0.00 174.94 175.80 1rz1 s GLY 51 N 0.24 2.91 0.46 6.18 0.00 -1.26 -0.39 107.32 115.46 1rz1 s GLY 51 Ca -0.12 1.17 0.17 0.00 0.00 0.00 0.00 44.72 45.93 1rz1 s GLY 51 CO 0.06 1.73 1.99 1.05 0.00 0.00 0.00 173.10 177.93 1rz1 h GLU 52 N 2.62 0.29 -0.03 2.90 4.11 -1.44 -0.69 114.58 122.34 1rz1 h GLU 52 Ca -0.49 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1rz1 h GLU 52 Cb 1.25 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1rz1 h GLU 52 CO 0.62 0.19 0.00 1.63 0.07 0.00 0.00 179.01 181.52 1rz1 n LYS 53 N -4.46 1.56 -2.78 1.06 5.02 -1.26 -4.92 118.16 112.39 1rz1 n LYS 53 Ca 0.10 -0.82 -0.41 0.00 -2.02 0.00 0.00 58.31 55.15 1rz1 n LYS 53 Cb 0.42 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.97 3.21 0.00 7.82 0.00 -0.27 -5.02 121.76 125.53 1rz1 s ALA 54 Ca 0.39 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1rz1 s ALA 54 Cb 0.21 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1rz1 s ALA 54 CO 0.33 -0.16 0.00 1.63 0.00 0.00 0.00 175.76 177.56 1rz1 n LYS 55 N 3.64 0.00 0.00 0.00 5.02 -1.26 -4.22 118.16 121.33 1rz1 n LYS 55 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1rz1 n LYS 55 Cb 0.51 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 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 1.51 0.00 -0.37 -0.35 0.00 -1.26 -3.13 117.00 113.40 1rz1 n LEU 57 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 56.01 55.99 1rz1 n LEU 57 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 43.42 43.53 1rz1 n LEU 57 CO 0.00 0.00 1.28 1.05 0.00 0.00 0.00 177.39 179.72 1rz1 h GLU 58 N 0.00 1.31 -0.70 1.96 9.09 -1.95 -1.63 114.58 122.67 1rz1 h GLU 58 Ca 0.00 -0.09 0.06 0.00 0.05 0.00 0.00 59.36 59.38 1rz1 h GLU 58 Cb 0.00 -0.29 -0.06 0.00 -1.65 0.00 0.00 28.75 26.75 1rz1 h GLU 58 CO 0.00 0.88 0.40 0.87 0.05 0.00 0.00 179.01 181.21 1rz1 h LYS 59 N 1.34 0.71 -0.23 1.06 1.79 -1.90 -1.02 116.57 118.34 1rz1 h LYS 59 Ca 0.36 -0.04 -0.17 0.00 -2.18 0.00 0.00 60.65 58.62 1rz1 h LYS 59 Cb -0.14 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.35 1rz1 h LYS 59 CO -0.08 0.47 -0.51 0.82 -1.08 0.00 0.00 179.45 179.07 1rz1 h ILE 60 N 0.74 1.30 -1.00 1.86 2.04 -1.82 -1.60 117.51 119.03 1rz1 h ILE 60 Ca 0.31 -1.72 0.16 0.00 1.00 0.00 0.00 64.86 64.61 1rz1 h ILE 60 Cb 0.18 1.80 -0.09 0.00 -0.74 0.00 0.00 36.82 37.96 1rz1 h ILE 60 CO -0.18 0.55 0.62 1.56 0.00 0.00 0.00 178.15 180.70 1rz1 h GLN 61 N 0.48 0.82 0.02 2.37 4.20 -0.82 0.29 115.11 122.47 1rz1 h GLN 61 Ca 0.00 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1rz1 h GLN 61 Cb 1.12 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1rz1 h GLN 61 CO 0.11 0.54 -0.01 1.96 -0.67 0.00 0.00 178.83 180.76 1rz1 h GLN 62 N 0.85 -0.03 0.00 1.46 4.20 -1.17 -3.35 115.11 117.07 1rz1 h GLN 62 Ca 0.54 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.16 1rz1 h GLN 62 Cb 0.73 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1rz1 h GLN 62 CO -0.32 0.70 -0.43 0.66 -0.67 0.00 0.00 178.83 178.77 1rz1 h SER 63 N -0.85 0.00 -1.40 1.46 4.64 -1.14 -3.47 113.55 112.79 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 0.74 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.69 1rz1 h SER 63 CO 0.01 0.43 -0.41 0.29 -0.87 0.00 0.00 176.83 176.27 1rz1 n LYS 64 N -3.60 -1.50 -3.92 4.77 4.76 0.10 -4.96 118.16 113.81 1rz1 n LYS 64 Ca -0.00 1.18 -0.09 0.00 -2.87 0.00 0.00 58.31 56.52 1rz1 n LYS 64 Cb 0.53 -5.61 -0.08 0.00 -1.84 0.00 0.00 35.03 28.03 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 -3.99 0.88 0.03 1.97 -2.85 -1.26 -1.00 119.74 113.53 1rz1 s LYS 65 Ca 0.00 -1.06 -0.28 0.00 -1.00 0.00 0.00 55.97 53.63 1rz1 s LYS 65 Cb 0.00 0.33 0.07 0.00 -2.06 0.00 0.00 37.83 36.17 1rz1 s LYS 65 CO 0.00 -0.28 0.67 1.52 0.10 0.00 0.00 175.35 177.36 1rz1 s TYR 66 N -3.90 -0.59 0.12 1.78 -0.85 -0.86 -4.77 117.35 108.29 1rz1 s TYR 66 Ca 0.09 0.75 0.08 0.00 -0.52 0.00 0.00 57.07 57.46 1rz1 s TYR 66 Cb 0.05 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 1rz1 s TYR 66 CO -0.08 -0.70 -0.11 0.00 -1.52 0.00 0.00 175.55 173.14 1rz1 s ALA 67 N -2.32 2.90 -0.21 9.51 0.00 0.58 -0.54 121.76 131.69 1rz1 s ALA 67 Ca -0.05 -1.31 -0.05 0.00 0.00 0.00 0.00 51.96 50.54 1rz1 s ALA 67 Cb -0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 1rz1 s ALA 67 CO -0.01 0.60 0.01 0.08 0.00 0.00 0.00 175.76 176.45 1rz1 s VAL 68 N -1.29 3.99 -0.36 0.00 1.01 0.88 -0.87 120.40 123.76 1rz1 s VAL 68 Ca 0.21 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 1rz1 s VAL 68 Cb -0.11 -2.82 0.07 0.00 0.00 0.00 0.00 36.38 33.53 1rz1 s VAL 68 CO 0.13 0.41 0.13 0.20 0.00 0.00 0.00 175.10 175.97 1rz1 s ASN 69 N 1.16 5.21 -0.10 3.32 0.01 0.58 -1.51 114.94 123.60 1rz1 s ASN 69 Ca 0.03 -1.54 -0.30 0.00 -0.71 0.00 0.00 52.86 50.35 1rz1 s ASN 69 Cb -0.14 -1.82 -0.01 0.00 0.41 0.00 0.00 41.25 39.68 1rz1 s ASN 69 CO 0.02 -0.41 1.04 -0.63 -1.51 0.00 0.00 177.10 175.61 1rz1 s ILE 70 N 1.27 4.69 0.09 0.60 1.01 -0.03 -0.46 121.20 128.38 1rz1 s ILE 70 Ca 0.01 1.97 -0.22 0.00 0.00 0.00 0.00 60.65 62.42 1rz1 s ILE 70 Cb -0.21 -4.27 -0.07 0.00 0.01 0.00 0.00 42.46 37.92 1rz1 s ILE 70 CO -0.01 -0.01 0.64 -0.76 0.00 0.00 0.00 174.94 174.81 1rz1 s LEU 71 N 2.12 4.54 0.62 2.97 1.43 -0.32 0.06 118.68 130.10 1rz1 s LEU 71 Ca 0.49 1.38 -0.09 0.00 -1.03 0.00 0.00 54.13 54.88 1rz1 s LEU 71 Cb -0.19 -3.04 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 1rz1 s LEU 71 CO 0.18 0.23 0.99 -0.94 0.23 0.00 0.00 176.35 177.04 1rz1 s SER 72 N -0.99 5.87 0.56 2.29 1.04 -1.26 -1.85 113.70 119.36 1rz1 s SER 72 Ca 0.32 1.13 0.43 0.00 0.48 0.00 0.00 55.95 58.31 1rz1 s SER 72 Cb -0.21 -2.12 1.61 0.00 0.10 0.00 0.00 66.02 65.40 1rz1 s SER 72 CO 0.21 -1.01 1.65 -0.61 0.98 0.00 0.00 173.24 174.46 1rz1 h GLN 73 N -0.32 0.00 -0.25 4.02 4.15 -1.31 -1.21 115.11 120.19 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 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1rz1 h GLN 73 CO 0.62 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.27 1rz1 n ASP 74 N -3.97 1.69 -0.44 -0.69 8.00 -1.26 -4.32 116.55 115.57 1rz1 n ASP 74 Ca 0.35 -1.85 0.07 0.00 0.71 0.00 0.00 54.79 54.08 1rz1 n ASP 74 Cb 1.67 -0.16 0.16 0.00 -0.02 0.00 0.00 41.12 42.77 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 0.38 1.27 -0.34 -1.24 6.02 -0.46 -4.73 117.38 118.28 1rz1 n GLN 75 Ca 0.14 -2.80 0.15 0.00 -0.01 0.00 0.00 57.00 54.48 1rz1 n GLN 75 Cb 0.30 -1.41 0.36 0.00 1.02 0.00 0.00 30.24 30.52 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 0.54 0.65 -0.40 -1.09 3.64 -1.75 -1.47 116.57 116.68 1rz1 h LYS 76 Ca -0.01 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 1rz1 h LYS 76 Cb 1.08 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1rz1 h LYS 76 CO 0.01 0.43 -0.19 0.28 -2.27 0.00 0.00 179.45 177.71 1rz1 h VAL 77 N 0.67 1.27 -0.61 2.00 2.07 -1.96 -2.44 116.25 117.26 1rz1 h VAL 77 Ca 0.59 -1.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1rz1 h VAL 77 Cb 1.04 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1rz1 h VAL 77 CO -0.39 0.43 0.13 -0.07 0.02 0.00 0.00 177.57 177.69 1rz1 h LEU 78 N 0.67 0.94 -0.71 2.57 3.38 -1.66 0.10 115.31 120.61 1rz1 h LEU 78 Ca 0.10 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1rz1 h LEU 78 Cb 0.69 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1rz1 h LEU 78 CO 0.05 0.94 0.00 -0.24 0.09 0.00 0.00 178.44 179.28 1rz1 n SER 79 N -4.33 0.00 0.00 -0.43 2.88 -0.86 -1.19 113.62 109.69 1rz1 n SER 79 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1rz1 n SER 79 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.18 0.00 -0.15 -3.46 5.15 0.36 -2.00 115.26 115.34 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 0.52 0.00 -0.53 0.00 0.00 39.78 39.77 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 0.05 0.74 1.20 3.72 -0.33 -1.68 117.46 121.16 1rz1 n PHE 82 Ca 0.00 -0.03 0.12 0.00 -0.05 0.00 0.00 57.45 57.49 1rz1 n PHE 82 Cb 0.00 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 38.69 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 -0.49 2.45 -2.27 4.37 0.00 -0.85 -0.70 120.51 123.01 1rz1 n ALA 83 Ca 0.15 -0.81 -0.09 0.00 0.00 0.00 0.00 53.44 52.69 1rz1 n ALA 83 Cb 0.14 -0.84 0.00 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 1.41 0.06 0.61 0.00 0.00 -0.68 -4.94 105.19 101.65 1rz1 n GLY 84 Ca 0.16 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.90 1.19 -4.59 1.61 6.02 -1.26 -4.92 117.38 113.53 1rz1 n GLN 85 Ca -0.09 -1.40 -0.34 0.00 -0.01 0.00 0.00 57.00 55.16 1rz1 n GLN 85 Cb 0.57 -1.30 -0.11 0.00 1.02 0.00 0.00 30.24 30.42 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 -1.33 3.18 0.18 1.08 1.43 -1.26 -4.97 118.68 116.99 1rz1 s LEU 86 Ca 0.18 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.12 1rz1 s LEU 86 Cb 0.13 -1.71 0.08 0.00 0.03 0.00 0.00 46.19 44.73 1rz1 s LEU 86 CO 0.20 0.32 1.75 -0.33 0.23 0.00 0.00 176.35 178.52 1rz1 h GLU 87 N 5.55 0.90 -5.20 1.70 4.39 -2.00 -3.41 114.58 116.52 1rz1 h GLU 87 Ca -0.45 -0.15 -0.65 0.00 0.34 0.00 0.00 59.36 58.45 1rz1 h GLU 87 Cb 1.18 -0.15 -0.26 0.00 -0.10 0.00 0.00 28.75 29.42 1rz1 h GLU 87 CO 0.54 0.74 -0.72 0.21 -1.16 0.00 0.00 179.01 178.62 1rz1 s LYS 88 N -5.63 3.46 0.53 2.33 2.20 -1.26 -5.11 119.74 116.26 1rz1 s LYS 88 Ca -0.13 -0.62 -0.21 0.00 -0.36 0.00 0.00 55.97 54.65 1rz1 s LYS 88 Cb 0.13 -2.84 -0.05 0.00 -1.51 0.00 0.00 37.83 33.56 1rz1 s LYS 88 CO 0.79 0.07 1.28 -2.14 -0.36 0.00 0.00 175.35 175.00 1rz1 s PRO 89 N 0.76 3.25 0.40 4.03 0.02 -1.26 -5.02 135.00 137.18 1rz1 s PRO 89 Ca -0.03 2.05 -0.06 0.00 0.02 0.00 0.00 61.00 62.98 1rz1 s PRO 89 Cb -0.15 -2.23 -0.05 0.00 0.02 0.00 0.00 34.50 32.09 1rz1 s PRO 89 CO 0.02 -1.05 0.71 0.14 -0.33 0.00 0.00 177.00 176.49 1rz1 s VAL 90 N -1.41 4.91 -0.69 3.83 -7.23 -1.26 -5.02 120.40 113.53 1rz1 s VAL 90 Ca 0.71 0.25 -0.25 0.00 -1.81 0.00 0.00 61.98 60.87 1rz1 s VAL 90 Cb -0.36 -3.79 0.04 0.00 0.56 0.00 0.00 36.38 32.83 1rz1 s VAL 90 CO 0.42 -0.60 1.15 -0.62 -0.31 0.00 0.00 175.10 175.14 1rz1 s ASP 91 N -3.58 6.19 -0.04 4.85 2.15 -1.26 -5.00 116.67 119.98 1rz1 s ASP 91 Ca 0.47 -0.59 -0.20 0.00 0.43 0.00 0.00 52.55 52.66 1rz1 s ASP 91 Cb -0.10 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 39.96 1rz1 s ASP 91 CO 0.36 -1.66 0.56 -0.69 -0.17 0.00 0.00 175.17 173.57 1rz1 s VAL 92 N 5.05 5.00 -0.43 1.11 1.01 -1.26 -5.03 120.40 125.85 1rz1 s VAL 92 Ca 0.31 1.15 -0.25 0.00 0.00 0.00 0.00 61.98 63.19 1rz1 s VAL 92 Cb -0.11 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.40 1rz1 s VAL 92 CO 0.14 0.40 0.91 -1.10 0.00 0.00 0.00 175.10 175.45 1rz1 s GLN 93 N 0.02 3.61 0.07 2.72 -1.52 -1.26 -5.05 119.66 118.25 1rz1 s GLN 93 Ca 0.30 0.26 -0.01 0.00 -1.95 0.00 0.00 55.36 53.95 1rz1 s GLN 93 Cb -0.17 -3.89 -0.04 0.00 -0.22 0.00 0.00 33.01 28.68 1rz1 s GLN 93 CO 0.15 -1.14 0.24 -0.06 -0.25 0.00 0.00 175.29 174.23 1rz1 s PHE 94 N 3.65 3.51 0.00 0.91 0.40 -1.26 -2.16 117.98 123.03 1rz1 s PHE 94 Ca 0.37 0.31 0.00 0.00 -0.60 0.00 0.00 56.93 57.01 1rz1 s PHE 94 Cb -0.11 -1.81 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1rz1 s PHE 94 CO 0.24 0.56 0.00 -0.85 0.70 0.00 0.00 175.22 175.87 1rz1 n GLU 95 N 0.27 1.44 -4.48 0.44 0.28 0.08 -4.85 120.64 113.83 1rz1 n GLU 95 Ca -0.05 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.75 1rz1 n GLU 95 Cb 0.51 0.00 -0.14 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 -0.30 0.98 -0.25 3.44 2.12 -1.26 -0.49 118.70 122.94 1rz1 s GLU 96 Ca 0.00 -0.56 -0.11 0.00 0.36 0.00 0.00 54.97 54.66 1rz1 s GLU 96 Cb 0.00 -0.95 0.10 0.00 0.26 0.00 0.00 34.13 33.53 1rz1 s GLU 96 CO 0.00 0.25 0.58 -1.17 -0.54 0.00 0.00 175.26 174.38 1rz1 s LEU 97 N -0.62 -0.82 -1.69 2.70 2.96 -0.31 -4.89 118.68 116.01 1rz1 s LEU 97 Ca 0.03 1.34 -0.18 0.00 -0.22 0.00 0.00 54.13 55.10 1rz1 s LEU 97 Cb -0.06 2.00 0.15 0.00 0.50 0.00 0.00 46.19 48.78 1rz1 s LEU 97 CO 0.00 -0.22 0.82 0.61 -1.32 0.00 0.00 176.35 176.23 1rz1 n GLY 98 N 4.91 -0.45 2.86 7.98 0.00 -1.26 -1.12 105.19 118.11 1rz1 n GLY 98 Ca -0.16 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.43 0.74 3.75 -0.02 0.00 -1.26 -4.94 105.19 102.04 1rz1 n GLY 99 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 3.76 0.10 0.99 1.43 -0.27 -4.96 118.68 119.72 1rz1 s LEU 100 Ca 0.00 0.04 -0.31 0.00 -1.03 0.00 0.00 54.13 52.83 1rz1 s LEU 100 Cb 0.00 -2.30 -0.07 0.00 0.03 0.00 0.00 46.19 43.85 1rz1 s LEU 100 CO 0.00 0.23 1.34 -2.16 0.23 0.00 0.00 176.35 175.99 1rz1 s PRO 101 N -1.99 4.35 0.25 1.29 0.04 -1.26 -1.16 135.00 136.51 1rz1 s PRO 101 Ca 0.25 1.99 0.08 0.00 0.04 0.00 0.00 61.00 63.35 1rz1 s PRO 101 Cb -0.12 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 1rz1 s PRO 101 CO 0.17 -0.39 -0.11 0.14 0.04 0.00 0.00 177.00 176.84 1rz1 s VAL 102 N 1.14 1.76 -0.21 -0.36 -7.23 0.36 -4.66 120.40 111.21 1rz1 s VAL 102 Ca 0.63 -2.19 -0.19 0.00 -1.81 0.00 0.00 61.98 58.42 1rz1 s VAL 102 Cb -0.35 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1rz1 s VAL 102 CO 0.30 -0.44 0.57 -0.63 -0.31 0.00 0.00 175.10 174.59 1rz1 s ILE 103 N -2.95 5.06 0.33 -0.62 1.01 -1.26 -0.74 121.20 122.04 1rz1 s ILE 103 Ca 0.26 1.05 -0.29 0.00 0.00 0.00 0.00 60.65 61.67 1rz1 s ILE 103 Cb 0.01 -3.89 -0.12 0.00 0.01 0.00 0.00 42.46 38.48 1rz1 s ILE 103 CO 0.10 0.13 1.50 1.17 0.00 0.00 0.00 174.94 177.85 1rz1 n LYS 104 N 5.01 2.58 -1.00 2.79 4.81 -0.92 -2.17 118.16 129.26 1rz1 n LYS 104 Ca -0.03 0.91 -0.00 0.00 -0.87 0.00 0.00 58.31 58.32 1rz1 n LYS 104 Cb 0.50 -2.64 -0.00 0.00 0.02 0.00 0.00 35.03 32.91 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 1.26 -4.69 -4.64 3.14 8.00 -1.26 -4.99 116.55 113.37 1rz1 n ASP 105 Ca 0.05 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.18 1rz1 n ASP 105 Cb 0.37 -2.20 0.06 0.00 -0.02 0.00 0.00 41.12 39.33 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 1.00 0.30 -0.20 2.24 0.00 -0.92 -4.71 120.51 118.22 1rz1 n ALA 106 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1rz1 n ALA 106 Cb 0.28 -2.16 0.10 0.00 0.00 0.00 0.00 19.45 17.67 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 0.32 0.32 -7.49 0.00 5.85 -0.65 -3.44 115.31 110.22 1rz1 h LEU 107 Ca -0.49 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.17 1rz1 h LEU 107 Cb 1.36 0.01 -0.20 0.00 0.37 0.00 0.00 40.66 42.20 1rz1 h LEU 107 CO 0.50 0.20 -0.26 0.00 -0.34 0.00 0.00 178.44 178.54 1rz1 s ALA 108 N -6.10 -0.81 -0.07 1.25 0.00 -1.07 -0.91 121.76 114.06 1rz1 s ALA 108 Ca -0.13 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1rz1 s ALA 108 Cb 0.16 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1rz1 s ALA 108 CO 0.75 -0.26 -0.12 -0.65 0.00 0.00 0.00 175.76 175.47 1rz1 s GLN 109 N -1.26 1.71 -0.13 0.00 -0.21 0.58 -0.85 119.66 119.50 1rz1 s GLN 109 Ca -0.13 -0.41 -0.02 0.00 0.02 0.00 0.00 55.36 54.81 1rz1 s GLN 109 Cb -0.05 -1.43 0.04 0.00 1.00 0.00 0.00 33.01 32.57 1rz1 s GLN 109 CO 0.04 0.01 0.03 0.42 -2.12 0.00 0.00 175.29 173.68 1rz1 s ILE 110 N 0.72 0.33 -0.12 1.08 1.01 -0.57 -0.82 121.20 122.83 1rz1 s ILE 110 Ca -0.14 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 1rz1 s ILE 110 Cb -0.16 -0.70 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 1rz1 s ILE 110 CO 0.03 0.00 0.23 -0.44 0.00 0.00 0.00 174.94 174.76 1rz1 s SER 111 N 1.97 6.46 0.04 3.58 0.01 -0.37 -0.08 113.70 125.30 1rz1 s SER 111 Ca 0.02 0.54 0.03 0.00 1.31 0.00 0.00 55.95 57.85 1rz1 s SER 111 Cb -0.15 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 1rz1 s SER 111 CO -0.07 0.29 -0.09 0.00 0.41 0.00 0.00 173.24 173.79 1rz1 s GLN 113 N -1.43 3.75 0.05 0.00 -1.52 -0.35 -2.03 119.66 118.12 1rz1 s GLN 113 Ca -0.07 -0.47 -0.30 0.00 -1.95 0.00 0.00 55.36 52.57 1rz1 s GLN 113 Cb -0.09 -3.05 -0.08 0.00 -0.22 0.00 0.00 33.01 29.57 1rz1 s GLN 113 CO 0.01 0.18 1.70 0.08 -0.25 0.00 0.00 175.29 177.01 1rz1 s VAL 114 N 0.55 3.11 -0.33 1.09 1.01 -0.17 -0.78 120.40 124.89 1rz1 s VAL 114 Ca -0.01 0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.50 1rz1 s VAL 114 Cb -0.14 -3.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.87 1rz1 s VAL 114 CO 0.02 -0.01 0.30 1.33 0.00 0.00 0.00 175.10 176.73 1rz1 n VAL 115 N 4.95 0.00 -3.52 2.92 0.24 -0.07 -4.91 118.33 117.94 1rz1 n VAL 115 Ca 0.17 -0.33 -0.16 0.00 -2.04 0.00 0.00 64.34 61.98 1rz1 n VAL 115 Cb 0.41 0.99 -0.05 0.00 -1.47 0.00 0.00 33.84 33.71 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 -1.69 -0.57 -0.14 -1.34 3.04 -1.15 -5.02 114.94 108.06 1rz1 s ASN 116 Ca 0.03 0.43 -0.04 0.00 0.04 0.00 0.00 52.86 53.31 1rz1 s ASN 116 Cb 0.05 0.53 0.06 0.00 -1.54 0.00 0.00 41.25 40.36 1rz1 s ASN 116 CO 0.29 -0.70 0.13 -0.70 -3.04 0.00 0.00 177.10 173.08 1rz1 s GLU 117 N -2.00 0.07 -0.16 0.43 2.12 -1.26 -1.63 118.70 116.27 1rz1 s GLU 117 Ca -0.07 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.47 1rz1 s GLU 117 Cb -0.01 -1.14 0.02 0.00 0.26 0.00 0.00 34.13 33.27 1rz1 s GLU 117 CO 0.02 -0.54 -0.17 0.08 -0.54 0.00 0.00 175.26 174.11 1rz1 s VAL 118 N 2.23 1.81 0.21 3.70 1.01 -0.45 -4.96 120.40 123.96 1rz1 s VAL 118 Ca 0.04 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 1rz1 s VAL 118 Cb -0.14 -1.66 -0.08 0.00 0.00 0.00 0.00 36.38 34.50 1rz1 s VAL 118 CO -0.08 0.50 1.10 -1.58 0.00 0.00 0.00 175.10 175.03 1rz1 s GLN 119 N 1.30 4.62 -0.31 2.72 0.74 -1.26 -0.29 119.66 127.18 1rz1 s GLN 119 Ca 0.03 1.74 -0.01 0.00 0.05 0.00 0.00 55.36 57.16 1rz1 s GLN 119 Cb -0.13 -3.25 0.12 0.00 1.10 0.00 0.00 33.01 30.85 1rz1 s GLN 119 CO -0.10 0.13 0.23 0.00 -0.55 0.00 0.00 175.29 175.00 1rz1 s ALA 120 N -0.56 0.11 0.00 1.58 0.00 0.28 -4.93 121.76 118.25 1rz1 s ALA 120 Ca 0.48 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1rz1 s ALA 120 Cb -0.30 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1rz1 s ALA 120 CO 0.37 -1.78 0.00 0.41 0.00 0.00 0.00 175.76 174.76 1rz1 n GLY 121 N 5.03 3.12 0.09 0.00 0.00 -1.26 -1.91 105.19 110.27 1rz1 n GLY 121 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 3.11 0.14 -4.06 1.61 10.43 -1.26 -4.83 116.55 121.69 1rz1 n ASP 122 Ca 0.00 0.36 -0.08 0.00 2.57 0.00 0.00 54.79 57.64 1rz1 n ASP 122 Cb 0.00 -0.29 -0.10 0.00 1.84 0.00 0.00 41.12 42.57 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 -2.87 0.52 -0.04 1.24 3.76 -0.80 -1.08 115.29 116.02 1rz1 s HIS 123 Ca -0.01 -1.02 0.07 0.00 -0.15 0.00 0.00 55.06 53.95 1rz1 s HIS 123 Cb 0.02 -0.35 -0.01 0.00 1.11 0.00 0.00 32.58 33.34 1rz1 s HIS 123 CO 0.05 -0.43 -0.25 0.99 -0.85 0.00 0.00 174.74 174.24 1rz1 s THR 124 N -3.93 2.05 -0.28 1.30 2.01 0.48 -0.55 115.64 116.71 1rz1 s THR 124 Ca 0.10 -1.08 -0.13 0.00 0.31 0.00 0.00 61.69 60.89 1rz1 s THR 124 Cb 0.07 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1rz1 s THR 124 CO -0.08 0.57 0.27 -0.76 -0.69 0.00 0.00 174.62 173.93 1rz1 s LEU 125 N -0.35 4.04 -0.36 4.42 1.43 0.60 -0.87 118.68 127.60 1rz1 s LEU 125 Ca 0.02 0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 53.13 1rz1 s LEU 125 Cb -0.12 -2.25 0.02 0.00 0.03 0.00 0.00 46.19 43.87 1rz1 s LEU 125 CO 0.02 -0.11 0.18 -0.36 0.23 0.00 0.00 176.35 176.30 1rz1 s PHE 126 N 1.90 3.23 -0.12 0.29 0.08 -0.14 -1.34 117.98 121.88 1rz1 s PHE 126 Ca 0.10 -0.95 -0.21 0.00 0.12 0.00 0.00 56.93 55.99 1rz1 s PHE 126 Cb -0.16 -2.40 -0.04 0.00 -0.57 0.00 0.00 43.02 39.86 1rz1 s PHE 126 CO 0.11 -0.62 0.59 0.42 -0.10 0.00 0.00 175.22 175.62 1rz1 s ILE 127 N 1.54 5.09 -0.02 0.64 1.01 -0.65 -1.76 121.20 127.06 1rz1 s ILE 127 Ca 0.02 1.18 0.06 0.00 0.00 0.00 0.00 60.65 61.91 1rz1 s ILE 127 Cb -0.19 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 1rz1 s ILE 127 CO 0.06 0.24 -0.20 -0.83 0.00 0.00 0.00 174.94 174.21 1rz1 s GLY 128 N 0.85 1.00 -0.18 6.18 0.00 0.74 -0.90 107.32 115.01 1rz1 s GLY 128 Ca 0.31 -0.87 -0.18 0.00 0.00 0.00 0.00 44.72 43.98 1rz1 s GLY 128 CO 0.13 -0.70 0.49 1.85 0.00 0.00 0.00 173.10 174.87 1rz1 s GLU 129 N -0.44 4.22 -0.03 2.90 2.12 0.04 -0.73 118.70 126.80 1rz1 s GLU 129 Ca 0.07 0.40 -0.30 0.00 0.36 0.00 0.00 54.97 55.49 1rz1 s GLU 129 Cb -0.08 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 1rz1 s GLU 129 CO -0.01 -0.06 1.16 0.08 -0.54 0.00 0.00 175.26 175.89 1rz1 s VAL 130 N 1.35 4.32 -0.15 3.70 1.01 -0.47 -1.21 120.40 128.96 1rz1 s VAL 130 Ca 0.24 1.65 0.10 0.00 0.00 0.00 0.00 61.98 63.97 1rz1 s VAL 130 Cb -0.15 -4.06 -0.16 0.00 0.00 0.00 0.00 36.38 32.01 1rz1 s VAL 130 CO 0.10 0.05 -0.00 0.35 0.00 0.00 0.00 175.10 175.59 1rz1 n THR 131 N 4.36 0.99 -3.81 3.92 -2.24 0.37 -4.90 114.28 112.97 1rz1 n THR 131 Ca 0.10 -0.55 -0.12 0.00 -2.27 0.00 0.00 64.05 61.20 1rz1 n THR 131 Cb 0.47 -0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 67.85 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 -4.99 -0.11 -0.01 3.42 1.01 -1.20 -5.01 116.67 109.77 1rz1 s ASP 132 Ca -0.11 0.05 0.01 0.00 0.71 0.00 0.00 52.55 53.21 1rz1 s ASP 132 Cb 0.05 0.31 0.00 0.00 1.01 0.00 0.00 42.92 44.29 1rz1 s ASP 132 CO 0.54 -0.33 -0.02 -0.63 0.21 0.00 0.00 175.17 174.94 1rz1 s ILE 133 N -1.02 0.19 -0.03 0.77 1.01 -1.26 -1.24 121.20 119.62 1rz1 s ILE 133 Ca -0.11 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.48 1rz1 s ILE 133 Cb -0.05 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 42.25 1rz1 s ILE 133 CO 0.02 0.07 -0.03 -0.75 0.00 0.00 0.00 174.94 174.25 1rz1 s LYS 134 N 0.14 0.50 0.10 2.79 2.20 -0.00 -4.99 119.74 120.48 1rz1 s LYS 134 Ca -0.01 -0.06 0.08 0.00 -0.36 0.00 0.00 55.97 55.63 1rz1 s LYS 134 Cb -0.03 -0.56 -0.04 0.00 -1.51 0.00 0.00 37.83 35.69 1rz1 s LYS 134 CO -0.00 -0.05 -0.22 0.42 -0.36 0.00 0.00 175.35 175.14 1rz1 s ILE 135 N 0.65 1.77 0.41 5.43 1.01 -1.26 -0.31 121.20 128.90 1rz1 s ILE 135 Ca -0.07 -1.55 0.03 0.00 0.00 0.00 0.00 60.65 59.06 1rz1 s ILE 135 Cb -0.11 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 1rz1 s ILE 135 CO -0.01 -0.03 0.09 0.42 0.00 0.00 0.00 174.94 175.41 1rz1 s THR 136 N -1.13 0.84 -0.32 2.92 -4.23 -0.09 -4.99 115.64 108.64 1rz1 s THR 136 Ca 0.07 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.68 1rz1 s THR 136 Cb -0.10 -2.42 0.66 0.00 1.34 0.00 0.00 72.50 71.98 1rz1 s THR 136 CO 0.04 0.00 1.72 -0.62 -0.54 0.00 0.00 174.62 175.22 1rz1 n GLU 137 N -0.93 3.01 -1.09 3.99 -0.58 -1.26 -4.88 120.64 118.91 1rz1 n GLU 137 Ca -0.07 -3.07 -0.30 0.00 -0.42 0.00 0.00 57.16 53.30 1rz1 n GLU 137 Cb 0.66 -2.09 0.14 0.00 -0.57 0.00 0.00 31.44 29.57 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 -3.08 1.30 0.33 3.49 -0.21 -1.26 -5.03 119.66 115.19 1rz1 s GLN 138 Ca 0.52 1.03 -0.21 0.00 0.02 0.00 0.00 55.36 56.72 1rz1 s GLN 138 Cb 0.43 -1.80 -0.10 0.00 1.00 0.00 0.00 33.01 32.55 1rz1 s GLN 138 CO 0.10 -2.27 0.84 -0.51 -2.12 0.00 0.00 175.29 171.34 1rz1 s ASP 139 N -3.22 7.03 0.24 5.90 1.01 -1.26 -5.01 116.67 121.36 1rz1 s ASP 139 Ca 0.64 1.57 -0.19 0.00 0.71 0.00 0.00 52.55 55.27 1rz1 s ASP 139 Cb -0.19 -2.48 -0.08 0.00 1.01 0.00 0.00 42.92 41.17 1rz1 s ASP 139 CO 0.57 -0.15 0.73 -2.16 0.21 0.00 0.00 175.17 174.37 1rz1 s PRO 140 N -2.54 4.22 0.09 8.23 0.04 -1.26 -1.23 135.00 142.55 1rz1 s PRO 140 Ca 0.52 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 62.10 1rz1 s PRO 140 Cb -0.14 -2.81 -0.07 0.00 0.04 0.00 0.00 34.50 31.52 1rz1 s PRO 140 CO 0.19 0.35 1.37 -1.17 0.04 0.00 0.00 177.00 177.78 1rz1 s LEU 141 N -2.14 4.36 0.10 -3.56 2.96 -0.77 -4.04 118.68 115.59 1rz1 s LEU 141 Ca 0.45 2.27 0.07 0.00 -0.22 0.00 0.00 54.13 56.69 1rz1 s LEU 141 Cb -0.16 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1rz1 s LEU 141 CO 0.20 -0.64 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.75 1rz1 s LEU 142 N 1.27 3.10 -0.11 -0.68 1.43 -0.80 -3.18 118.68 119.70 1rz1 s LEU 142 Ca 0.64 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1rz1 s LEU 142 Cb -0.35 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.01 1rz1 s LEU 142 CO 0.30 0.18 -0.14 0.12 0.23 0.00 0.00 176.35 177.04 1rz1 s PHE 143 N -1.21 1.88 -0.18 0.29 5.36 0.16 -0.36 117.98 123.92 1rz1 s PHE 143 Ca 0.22 -0.90 -0.13 0.00 -0.96 0.00 0.00 56.93 55.15 1rz1 s PHE 143 Cb -0.11 -1.39 0.06 0.00 -0.34 0.00 0.00 43.02 41.24 1rz1 s PHE 143 CO 0.14 -0.49 0.46 0.12 -1.46 0.00 0.00 175.22 173.99 1rz1 s PHE 144 N 1.12 -0.62 -1.48 10.12 5.36 -0.24 -1.79 117.98 130.46 1rz1 s PHE 144 Ca -0.04 1.37 -0.12 0.00 -0.96 0.00 0.00 56.93 57.17 1rz1 s PHE 144 Cb -0.14 0.27 0.08 0.00 -0.34 0.00 0.00 43.02 42.89 1rz1 s PHE 144 CO -0.03 -0.32 0.76 0.43 -1.46 0.00 0.00 175.22 174.60 1rz1 n SER 145 N 3.67 -4.44 0.00 6.13 7.64 0.76 -1.43 113.62 125.96 1rz1 n SER 145 Ca -0.19 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.06 1rz1 n SER 145 Cb 0.56 -3.59 0.00 0.00 -1.01 0.00 0.00 64.21 60.17 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 -1.47 0.79 3.27 0.23 0.00 -1.26 -5.02 105.19 101.73 1rz1 n GLY 146 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.08 1.11 0.13 1.61 1.02 -0.51 -5.13 119.74 117.89 1rz1 s LYS 147 Ca 0.00 -1.40 -0.27 0.00 0.02 0.00 0.00 55.97 54.32 1rz1 s LYS 147 Cb 0.00 -0.86 -0.07 0.00 -0.52 0.00 0.00 37.83 36.38 1rz1 s LYS 147 CO 0.00 0.14 0.86 0.71 -0.92 0.00 0.00 175.35 176.14 1rz1 s TYR 148 N -2.76 3.85 0.32 3.18 2.02 -1.26 -1.08 117.35 121.61 1rz1 s TYR 148 Ca 0.15 1.69 0.03 0.00 -0.37 0.00 0.00 57.07 58.57 1rz1 s TYR 148 Cb -0.01 -2.90 -0.04 0.00 -0.40 0.00 0.00 41.96 38.61 1rz1 s TYR 148 CO 0.03 0.35 0.15 -1.01 -1.57 0.00 0.00 175.55 173.50 1rz1 s HIS 149 N -0.52 1.64 0.17 2.71 3.76 0.51 -4.94 115.29 118.62 1rz1 s HIS 149 Ca 0.41 -1.34 0.06 0.00 -0.15 0.00 0.00 55.06 54.04 1rz1 s HIS 149 Cb -0.23 -0.92 -0.04 0.00 1.11 0.00 0.00 32.58 32.50 1rz1 s HIS 149 CO 0.27 -0.47 -0.13 -0.65 -0.85 0.00 0.00 174.74 172.92 1rz1 s GLN 150 N -3.81 1.17 0.27 1.40 -0.21 -1.26 -1.90 119.66 115.33 1rz1 s GLN 150 Ca 0.34 -1.47 -0.29 0.00 0.02 0.00 0.00 55.36 53.96 1rz1 s GLN 150 Cb 0.05 -0.88 -0.10 0.00 1.00 0.00 0.00 33.01 33.08 1rz1 s GLN 150 CO 0.17 0.14 1.23 -0.51 -2.12 0.00 0.00 175.29 174.20 1rz1 s LEU 151 N -3.11 4.47 0.21 2.90 1.43 -1.26 -4.99 118.68 118.33 1rz1 s LEU 151 Ca 0.18 2.45 -0.32 0.00 -1.03 0.00 0.00 54.13 55.41 1rz1 s LEU 151 Cb -0.00 -3.63 -0.12 0.00 0.03 0.00 0.00 46.19 42.47 1rz1 s LEU 151 CO 0.04 -0.39 1.71 0.00 0.23 0.00 0.00 176.35 177.93 1rz1 s ALA 152 N -0.79 3.92 -2.93 4.21 0.00 -1.26 -5.11 121.76 119.80 1rz1 s ALA 152 Ca 0.49 1.57 0.25 0.00 0.00 0.00 0.00 51.96 54.27 1rz1 s ALA 152 Cb -0.36 -3.69 0.31 0.00 0.00 0.00 0.00 23.12 19.38 1rz1 s ALA 152 CO 0.44 -0.92 1.33 1.04 0.00 0.00 0.00 175.76 177.65