#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 0.38 -0.41 1.67 3.45 -2.05 -2.82 116.42 116.64 1rz1 h ASP 3 Ca 0.00 -0.13 -0.13 0.00 0.43 0.00 0.00 57.03 57.20 1rz1 h ASP 3 Cb 0.00 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 1rz1 h ASP 3 CO 0.00 0.66 -0.26 -0.09 -1.57 0.00 0.00 179.24 177.98 1rz1 h ARG 4 N 0.33 0.90 -0.56 3.56 2.43 -2.05 -1.18 114.38 117.82 1rz1 h ARG 4 Ca 0.05 -0.42 -0.01 0.00 -0.81 0.00 0.00 59.98 58.79 1rz1 h ARG 4 Cb 0.68 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1rz1 h ARG 4 CO 0.05 1.07 0.32 1.25 -1.51 0.00 0.00 179.97 181.16 1rz1 h LEU 5 N 0.72 0.68 -0.15 3.80 5.85 -1.98 0.71 115.31 124.94 1rz1 h LEU 5 Ca 0.08 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1rz1 h LEU 5 Cb 0.84 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1rz1 h LEU 5 CO 0.07 0.55 0.05 0.15 -0.34 0.00 0.00 178.44 178.93 1rz1 h PHE 6 N 0.75 0.23 -0.87 1.25 3.57 -1.46 -1.26 116.94 119.15 1rz1 h PHE 6 Ca 0.20 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1rz1 h PHE 6 Cb 0.01 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 1rz1 h PHE 6 CO -0.02 0.32 0.51 0.00 -2.23 0.00 0.00 178.31 176.90 1rz1 h ARG 7 N 0.07 1.19 -0.61 1.11 3.08 -1.06 -2.44 114.38 115.73 1rz1 h ARG 7 Ca 0.05 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1rz1 h ARG 7 Cb 0.19 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1rz1 h ARG 7 CO -0.00 0.85 0.40 -0.91 -1.07 0.00 0.00 179.97 179.23 1rz1 h ASN 8 N 1.20 0.68 0.00 7.04 2.35 -0.75 0.13 115.58 126.23 1rz1 h ASN 8 Ca 0.31 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1rz1 h ASN 8 Cb -0.03 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1rz1 h ASN 8 CO -0.06 0.49 0.00 0.00 -1.65 0.00 0.00 177.43 176.21 1rz1 n ALA 9 N -2.27 1.22 0.00 -0.83 0.00 -0.49 -2.70 120.51 115.45 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 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.43 0.00 0.08 0.00 0.00 0.03 -3.88 105.19 101.85 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 0.16 -3.02 1.61 4.76 -1.10 0.03 118.16 120.61 1rz1 n LYS 12 Ca 0.00 0.21 -0.43 0.00 -2.87 0.00 0.00 58.31 55.22 1rz1 n LYS 12 Cb 0.00 -1.72 -0.05 0.00 -1.84 0.00 0.00 35.03 31.42 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 -3.11 2.93 0.46 2.13 5.36 -1.25 -4.92 117.98 119.58 1rz1 s PHE 13 Ca 0.10 -0.33 -0.23 0.00 -0.96 0.00 0.00 56.93 55.50 1rz1 s PHE 13 Cb 0.13 -3.79 -0.07 0.00 -0.34 0.00 0.00 43.02 38.95 1rz1 s PHE 13 CO 0.51 -1.19 1.21 0.00 -1.46 0.00 0.00 175.22 174.29 1rz1 s ALA 14 N 3.21 3.00 0.14 11.12 0.00 -1.26 -4.88 121.76 133.09 1rz1 s ALA 14 Ca 0.22 1.04 -0.05 0.00 0.00 0.00 0.00 51.96 53.16 1rz1 s ALA 14 Cb -0.16 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 1rz1 s ALA 14 CO 0.15 -0.78 0.16 0.95 0.00 0.00 0.00 175.76 176.24 1rz1 s THR 15 N -1.46 0.10 0.40 0.00 -4.23 -0.74 -5.01 115.64 104.70 1rz1 s THR 15 Ca 0.63 -1.62 -0.07 0.00 -1.18 0.00 0.00 61.69 59.46 1rz1 s THR 15 Cb -0.32 -1.87 0.10 0.00 1.34 0.00 0.00 72.50 71.75 1rz1 s THR 15 CO 0.39 -0.44 0.37 0.61 -0.54 0.00 0.00 174.62 175.02 1rz1 n GLY 16 N -0.13 -2.44 2.90 3.99 0.00 -1.26 -0.79 105.19 107.45 1rz1 n GLY 16 Ca -0.08 -1.48 -0.18 0.00 0.00 0.00 0.00 46.02 44.28 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 0.44 0.31 1.61 1.01 -1.21 -4.56 120.40 116.30 1rz1 s VAL 17 Ca 0.24 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.21 1rz1 s VAL 17 Cb -0.02 -0.45 -0.06 0.00 0.00 0.00 0.00 36.38 35.85 1rz1 s VAL 17 CO 0.18 0.18 -0.13 0.42 0.00 0.00 0.00 175.10 175.76 1rz1 s THR 18 N 0.67 2.23 -0.13 3.92 -4.23 -0.50 -0.59 115.64 117.01 1rz1 s THR 18 Ca -0.08 -2.27 0.00 0.00 -1.18 0.00 0.00 61.69 58.17 1rz1 s THR 18 Cb -0.11 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 1rz1 s THR 18 CO -0.00 -0.30 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.94 1rz1 s VAL 19 N -2.64 2.88 -0.16 2.29 1.01 0.83 -1.30 120.40 123.31 1rz1 s VAL 19 Ca 0.31 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 1rz1 s VAL 19 Cb -0.00 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1rz1 s VAL 19 CO 0.15 0.53 0.59 -0.63 0.00 0.00 0.00 175.10 175.73 1rz1 s ILE 20 N 0.41 5.08 0.16 2.22 -1.09 -1.26 -0.32 121.20 126.39 1rz1 s ILE 20 Ca -0.11 1.13 0.10 0.00 -2.23 0.00 0.00 60.65 59.54 1rz1 s ILE 20 Cb -0.16 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 1rz1 s ILE 20 CO 0.06 0.19 -0.22 0.42 -1.23 0.00 0.00 174.94 174.16 1rz1 s THR 21 N 1.39 2.53 0.25 2.92 -4.23 0.02 -4.13 115.64 114.40 1rz1 s THR 21 Ca 0.29 -1.79 -0.10 0.00 -1.18 0.00 0.00 61.69 58.90 1rz1 s THR 21 Cb -0.16 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.50 1rz1 s THR 21 CO 0.11 -0.00 0.43 0.28 -0.54 0.00 0.00 174.62 174.90 1rz1 s THR 22 N -1.37 0.00 -0.12 3.99 -1.32 -0.23 -0.23 115.64 116.36 1rz1 s THR 22 Ca 0.18 -1.50 0.01 0.00 -1.21 0.00 0.00 61.69 59.17 1rz1 s THR 22 Cb -0.09 -2.29 0.02 0.00 -1.51 0.00 0.00 72.50 68.62 1rz1 s THR 22 CO 0.09 0.00 -0.15 -0.70 -2.21 0.00 0.00 174.62 171.66 1rz1 s GLU 23 N -3.94 2.20 -0.15 7.08 2.12 -1.26 -0.75 118.70 124.00 1rz1 s GLU 23 Ca 0.25 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 55.05 1rz1 s GLU 23 Cb 0.00 -1.93 0.02 0.00 0.26 0.00 0.00 34.13 32.49 1rz1 s GLU 23 CO 0.10 -0.12 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.39 1rz1 s LEU 24 N 1.16 1.71 -0.71 2.70 2.96 -0.48 -4.81 118.68 121.20 1rz1 s LEU 24 Ca -0.03 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1rz1 s LEU 24 Cb -0.14 -1.19 0.00 0.00 0.50 0.00 0.00 46.19 45.36 1rz1 s LEU 24 CO -0.04 -0.04 0.53 0.59 -1.32 0.00 0.00 176.35 176.06 1rz1 n ASN 25 N 4.69 -4.20 0.00 3.68 3.02 -1.26 -1.53 115.26 119.66 1rz1 n ASN 25 Ca -0.17 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1rz1 n ASN 25 Cb 0.50 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 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 -1.45 1.93 3.75 7.41 0.00 -1.26 -5.00 105.19 110.56 1rz1 n GLY 26 Ca -0.28 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 3.40 -0.16 4.61 0.00 -0.58 -5.02 121.76 124.01 1rz1 s ALA 27 Ca 0.00 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 1rz1 s ALA 27 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1rz1 s ALA 27 CO 0.00 -0.23 0.48 0.08 0.00 0.00 0.00 175.76 176.09 1rz1 s VAL 28 N -0.58 5.16 0.05 0.00 1.01 -1.26 -1.39 120.40 123.39 1rz1 s VAL 28 Ca 0.48 0.91 0.08 0.00 0.00 0.00 0.00 61.98 63.45 1rz1 s VAL 28 Cb -0.31 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1rz1 s VAL 28 CO 0.38 0.26 -0.22 -1.00 0.00 0.00 0.00 175.10 174.52 1rz1 s HIS 29 N 1.10 2.45 0.16 5.22 3.76 0.07 -5.00 115.29 123.04 1rz1 s HIS 29 Ca 0.24 -0.33 0.03 0.00 -0.15 0.00 0.00 55.06 54.85 1rz1 s HIS 29 Cb -0.15 -1.42 -0.01 0.00 1.11 0.00 0.00 32.58 32.11 1rz1 s HIS 29 CO 0.09 0.21 0.11 0.41 -0.85 0.00 0.00 174.74 174.72 1rz1 n GLY 30 N 1.58 3.57 3.35 -2.22 0.00 -1.26 -1.06 105.19 109.15 1rz1 n GLY 30 Ca -0.17 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.53 3.29 -0.00 2.61 2.01 -0.07 -4.93 115.64 116.01 1rz1 s THR 32 Ca 0.16 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1rz1 s THR 32 Cb 0.01 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 70.07 1rz1 s THR 32 CO 0.11 0.47 -0.02 0.00 -0.69 0.00 0.00 174.62 174.49 1rz1 s ALA 33 N 0.91 0.22 -0.13 7.40 0.00 -0.42 -4.87 121.76 124.87 1rz1 s ALA 33 Ca -0.01 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1rz1 s ALA 33 Cb -0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 1rz1 s ALA 33 CO 0.00 0.04 0.32 0.27 0.00 0.00 0.00 175.76 176.40 1rz1 n ASN 34 N 3.11 0.63 -4.31 0.00 6.94 -1.26 -1.41 115.26 118.95 1rz1 n ASN 34 Ca -0.14 -0.82 -0.43 0.00 -0.02 0.00 0.00 54.58 53.18 1rz1 n ASN 34 Cb 0.58 0.46 0.00 0.00 -2.36 0.00 0.00 39.78 38.47 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 -0.43 4.21 -2.32 -2.53 0.00 -1.26 -4.93 120.51 113.26 1rz1 n ALA 35 Ca 0.01 -4.01 -0.18 0.00 0.00 0.00 0.00 53.44 49.25 1rz1 n ALA 35 Cb 0.03 -3.38 -0.09 0.00 0.00 0.00 0.00 19.45 16.01 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 2.91 1.57 -0.01 0.00 5.36 -1.26 -1.75 117.98 124.80 1rz1 s PHE 36 Ca 0.48 -1.41 -0.25 0.00 -0.96 0.00 0.00 56.93 54.79 1rz1 s PHE 36 Cb 0.05 -0.81 -0.04 0.00 -0.34 0.00 0.00 43.02 41.88 1rz1 s PHE 36 CO 0.02 -0.58 0.76 0.45 -1.46 0.00 0.00 175.22 174.40 1rz1 s SER 38 N -3.35 7.12 -0.05 6.13 0.15 -1.26 -5.01 113.70 117.43 1rz1 s SER 38 Ca 0.37 1.34 -0.09 0.00 0.70 0.00 0.00 55.95 58.27 1rz1 s SER 38 Cb 0.05 -2.45 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 1rz1 s SER 38 CO 0.18 -0.08 -0.18 0.52 1.20 0.00 0.00 173.24 174.88 1rz1 n VAL 39 N 3.40 1.35 -4.21 4.45 0.31 -0.65 -4.93 118.33 118.06 1rz1 n VAL 39 Ca -0.01 0.27 -0.16 0.00 -0.01 0.00 0.00 64.34 64.42 1rz1 n VAL 39 Cb 0.51 -1.98 -0.13 0.00 -0.91 0.00 0.00 33.84 31.33 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 -5.93 1.05 -0.19 4.52 0.15 -0.89 -4.96 113.70 107.45 1rz1 s SER 40 Ca -0.15 -0.36 -0.15 0.00 0.70 0.00 0.00 55.95 55.99 1rz1 s SER 40 Cb 0.02 -0.05 -0.21 0.00 -1.71 0.00 0.00 66.02 64.07 1rz1 s SER 40 CO 0.22 -0.03 0.19 -0.11 1.20 0.00 0.00 173.24 174.72 1rz1 n LEU 41 N 2.15 2.16 -3.87 3.45 7.94 -1.26 -1.08 117.00 126.48 1rz1 n LEU 41 Ca -0.18 0.33 -0.30 0.00 -1.11 0.00 0.00 56.01 54.75 1rz1 n LEU 41 Cb 0.56 -1.00 -0.15 0.00 0.53 0.00 0.00 43.42 43.35 1rz1 n LEU 41 CO 0.23 0.51 -0.36 0.20 -1.11 0.00 0.00 177.39 176.86 1rz1 s ASN 42 N -6.96 4.15 0.84 1.96 0.01 -1.26 -2.84 114.94 110.84 1rz1 s ASN 42 Ca -0.28 -1.62 -0.13 0.00 -0.71 0.00 0.00 52.86 50.12 1rz1 s ASN 42 Cb 0.07 -1.16 0.10 0.00 0.41 0.00 0.00 41.25 40.67 1rz1 s ASN 42 CO 0.64 -0.35 1.19 -2.16 -1.51 0.00 0.00 177.10 174.91 1rz1 s PRO 43 N 1.36 1.70 -0.68 -0.60 0.04 -1.26 -5.05 135.00 130.50 1rz1 s PRO 43 Ca 0.05 0.07 -0.27 0.00 0.04 0.00 0.00 61.00 60.89 1rz1 s PRO 43 Cb -0.18 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1rz1 s PRO 43 CO -0.14 -1.77 1.57 0.15 0.04 0.00 0.00 177.00 176.84 1rz1 s LYS 44 N -5.58 2.91 0.18 4.56 1.02 -1.13 -4.53 119.74 117.18 1rz1 s LYS 44 Ca 0.64 0.17 0.11 0.00 0.02 0.00 0.00 55.97 56.90 1rz1 s LYS 44 Cb -0.11 -4.29 -0.04 0.00 -0.52 0.00 0.00 37.83 32.87 1rz1 s LYS 44 CO 0.50 -2.44 -0.22 -0.51 -0.92 0.00 0.00 175.35 171.75 1rz1 s LEU 45 N 7.39 2.43 0.11 3.17 1.43 -0.24 -1.18 118.68 131.79 1rz1 s LEU 45 Ca 0.51 -0.86 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1rz1 s LEU 45 Cb -0.10 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 1rz1 s LEU 45 CO 0.18 0.08 0.13 0.54 0.23 0.00 0.00 176.35 177.51 1rz1 s VAL 46 N -1.73 0.13 -0.02 -1.59 0.11 -0.04 -1.63 120.40 115.62 1rz1 s VAL 46 Ca 0.19 -1.56 -0.03 0.00 -2.93 0.00 0.00 61.98 57.65 1rz1 s VAL 46 Cb -0.07 -1.68 0.00 0.00 -1.53 0.00 0.00 36.38 33.10 1rz1 s VAL 46 CO 0.09 -0.60 0.09 -0.22 -3.33 0.00 0.00 175.10 171.13 1rz1 s LEU 47 N -2.95 1.70 0.07 2.54 0.20 -1.26 -0.77 118.68 118.21 1rz1 s LEU 47 Ca 0.13 0.05 0.04 0.00 0.69 0.00 0.00 54.13 55.04 1rz1 s LEU 47 Cb 0.06 0.35 -0.03 0.00 -0.43 0.00 0.00 46.19 46.14 1rz1 s LEU 47 CO -0.05 -0.11 -0.11 0.54 -0.29 0.00 0.00 176.35 176.33 1rz1 s VAL 48 N -0.33 0.89 -0.16 1.68 0.11 -0.85 -4.39 120.40 117.36 1rz1 s VAL 48 Ca -0.04 -1.36 0.01 0.00 -2.93 0.00 0.00 61.98 57.67 1rz1 s VAL 48 Cb -0.03 -1.04 0.02 0.00 -1.53 0.00 0.00 36.38 33.80 1rz1 s VAL 48 CO 0.00 -0.38 -0.18 -0.55 -3.33 0.00 0.00 175.10 170.66 1rz1 s SER 49 N -1.94 2.90 -0.08 3.54 0.15 -0.71 -1.05 113.70 116.52 1rz1 s SER 49 Ca -0.02 -0.56 0.05 0.00 0.70 0.00 0.00 55.95 56.11 1rz1 s SER 49 Cb -0.08 -1.33 -0.00 0.00 -1.71 0.00 0.00 66.02 62.90 1rz1 s SER 49 CO 0.01 -0.01 -0.23 -0.63 1.20 0.00 0.00 173.24 173.58 1rz1 s ILE 50 N 1.27 1.94 0.53 6.45 1.01 0.20 -4.80 121.20 127.81 1rz1 s ILE 50 Ca 0.02 -0.98 -0.21 0.00 0.00 0.00 0.00 60.65 59.49 1rz1 s ILE 50 Cb -0.13 -1.67 -0.06 0.00 0.01 0.00 0.00 42.46 40.61 1rz1 s ILE 50 CO -0.10 0.54 1.22 -0.83 0.00 0.00 0.00 174.94 175.77 1rz1 s GLY 51 N 0.16 2.79 0.43 6.18 0.00 -1.26 -0.45 107.32 115.16 1rz1 s GLY 51 Ca -0.12 1.05 0.10 0.00 0.00 0.00 0.00 44.72 45.75 1rz1 s GLY 51 CO 0.06 1.50 2.03 1.05 0.00 0.00 0.00 173.10 177.73 1rz1 h GLU 52 N 1.50 0.30 -0.02 2.90 4.11 -1.50 -1.56 114.58 120.30 1rz1 h GLU 52 Ca -0.50 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.89 1rz1 h GLU 52 Cb 1.28 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1rz1 h GLU 52 CO 0.58 0.28 0.00 1.63 0.07 0.00 0.00 179.01 181.57 1rz1 n LYS 53 N -4.42 1.49 -2.85 1.06 5.02 -1.26 -4.91 118.16 112.28 1rz1 n LYS 53 Ca 0.00 -0.71 -0.41 0.00 -2.02 0.00 0.00 58.31 55.17 1rz1 n LYS 53 Cb 0.15 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.98 3.27 0.00 7.82 0.00 -0.59 -5.01 121.76 125.26 1rz1 s ALA 54 Ca 0.40 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1rz1 s ALA 54 Cb 0.21 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1rz1 s ALA 54 CO 0.34 -0.24 0.00 1.63 0.00 0.00 0.00 175.76 177.49 1rz1 n LYS 55 N 4.03 0.00 0.00 0.00 5.02 -1.26 -4.18 118.16 121.77 1rz1 n LYS 55 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1rz1 n LYS 55 Cb 0.51 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 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 1.41 0.00 -0.18 -0.35 0.00 -1.26 -3.21 117.00 113.42 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 0.20 0.00 0.00 0.00 0.00 43.42 43.62 1rz1 n LEU 57 CO 0.00 0.00 1.07 1.05 0.00 0.00 0.00 177.39 179.51 1rz1 h GLU 58 N 0.00 0.93 -0.76 1.96 9.09 -1.95 -1.52 114.58 122.33 1rz1 h GLU 58 Ca 0.00 -0.14 0.05 0.00 0.05 0.00 0.00 59.36 59.33 1rz1 h GLU 58 Cb 0.00 -0.17 -0.06 0.00 -1.65 0.00 0.00 28.75 26.88 1rz1 h GLU 58 CO 0.00 0.74 0.46 0.87 0.05 0.00 0.00 179.01 181.13 1rz1 h LYS 59 N 0.92 0.83 -0.11 1.06 1.79 -1.90 -1.22 116.57 117.94 1rz1 h LYS 59 Ca 0.22 -0.05 -0.22 0.00 -2.18 0.00 0.00 60.65 58.42 1rz1 h LYS 59 Cb 0.15 -0.19 0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1rz1 h LYS 59 CO -0.02 0.55 -0.82 0.82 -1.08 0.00 0.00 179.45 178.90 1rz1 h ILE 60 N 0.86 1.30 -0.93 1.86 2.04 -1.79 -1.57 117.51 119.28 1rz1 h ILE 60 Ca 0.33 -2.06 0.15 0.00 1.00 0.00 0.00 64.86 64.28 1rz1 h ILE 60 Cb 0.14 2.08 -0.08 0.00 -0.74 0.00 0.00 36.82 38.22 1rz1 h ILE 60 CO -0.16 0.64 0.59 1.56 0.00 0.00 0.00 178.15 180.79 1rz1 h GLN 61 N 0.47 0.74 0.00 2.37 4.20 -0.82 0.23 115.11 122.29 1rz1 h GLN 61 Ca -0.06 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1rz1 h GLN 61 Cb 1.44 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 1rz1 h GLN 61 CO 0.16 0.49 -0.21 1.96 -0.67 0.00 0.00 178.83 180.56 1rz1 h GLN 62 N 0.76 0.00 0.00 1.46 4.20 -1.20 -3.36 115.11 116.98 1rz1 h GLN 62 Ca 0.47 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 59.11 1rz1 h GLN 62 Cb 0.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1rz1 h GLN 62 CO -0.24 1.00 -0.33 0.66 -0.67 0.00 0.00 178.83 179.26 1rz1 h SER 63 N -0.99 0.00 -1.82 1.46 4.64 -1.20 -3.46 113.55 112.18 1rz1 h SER 63 Ca -0.06 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.86 1rz1 h SER 63 Cb 1.06 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.04 1rz1 h SER 63 CO -0.03 0.33 -0.42 0.29 -0.87 0.00 0.00 176.83 176.13 1rz1 n LYS 64 N -3.67 -1.55 -3.88 4.77 4.76 0.79 -4.96 118.16 114.41 1rz1 n LYS 64 Ca -0.01 1.09 -0.09 0.00 -2.87 0.00 0.00 58.31 56.42 1rz1 n LYS 64 Cb 0.43 -5.56 -0.06 0.00 -1.84 0.00 0.00 35.03 28.00 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 -4.17 1.09 0.01 1.97 -2.85 -1.26 -1.05 119.74 113.48 1rz1 s LYS 65 Ca 0.00 -1.04 -0.28 0.00 -1.00 0.00 0.00 55.97 53.65 1rz1 s LYS 65 Cb 0.00 0.39 0.09 0.00 -2.06 0.00 0.00 37.83 36.26 1rz1 s LYS 65 CO 0.00 -0.40 0.81 1.52 0.10 0.00 0.00 175.35 177.38 1rz1 s TYR 66 N -3.91 -0.43 0.20 1.78 -0.85 -0.92 -4.78 117.35 108.44 1rz1 s TYR 66 Ca 0.12 0.38 0.11 0.00 -0.52 0.00 0.00 57.07 57.16 1rz1 s TYR 66 Cb 0.03 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.85 1rz1 s TYR 66 CO -0.04 -0.60 -0.23 0.00 -1.52 0.00 0.00 175.55 173.15 1rz1 s ALA 67 N -2.84 2.54 -0.17 9.51 0.00 0.68 -0.42 121.76 131.06 1rz1 s ALA 67 Ca 0.02 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.32 1rz1 s ALA 67 Cb -0.01 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1rz1 s ALA 67 CO -0.07 0.41 -0.17 0.08 0.00 0.00 0.00 175.76 176.01 1rz1 s VAL 68 N -1.78 2.43 -0.34 0.00 1.01 0.92 -0.80 120.40 121.84 1rz1 s VAL 68 Ca 0.22 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 1rz1 s VAL 68 Cb -0.07 -2.03 0.05 0.00 0.00 0.00 0.00 36.38 34.33 1rz1 s VAL 68 CO 0.10 0.52 0.10 0.20 0.00 0.00 0.00 175.10 176.02 1rz1 s ASN 69 N 1.10 5.25 -0.13 3.32 0.01 0.57 -1.74 114.94 123.31 1rz1 s ASN 69 Ca -0.00 -1.27 -0.28 0.00 -0.71 0.00 0.00 52.86 50.60 1rz1 s ASN 69 Cb -0.14 -1.84 -0.01 0.00 0.41 0.00 0.00 41.25 39.66 1rz1 s ASN 69 CO -0.06 -0.35 0.96 -0.63 -1.51 0.00 0.00 177.10 175.51 1rz1 s ILE 70 N 1.35 4.80 0.20 0.60 1.01 -0.28 -0.12 121.20 128.77 1rz1 s ILE 70 Ca -0.01 1.93 -0.23 0.00 0.00 0.00 0.00 60.65 62.34 1rz1 s ILE 70 Cb -0.20 -4.27 -0.08 0.00 0.01 0.00 0.00 42.46 37.92 1rz1 s ILE 70 CO 0.01 -0.00 0.76 -0.76 0.00 0.00 0.00 174.94 174.96 1rz1 s LEU 71 N 2.13 4.48 0.64 2.97 1.43 0.24 -0.07 118.68 130.50 1rz1 s LEU 71 Ca 0.45 1.57 -0.08 0.00 -1.03 0.00 0.00 54.13 55.04 1rz1 s LEU 71 Cb -0.18 -3.46 0.01 0.00 0.03 0.00 0.00 46.19 42.60 1rz1 s LEU 71 CO 0.15 0.12 0.98 -0.94 0.23 0.00 0.00 176.35 176.89 1rz1 s SER 72 N -1.38 5.49 0.47 2.29 1.04 -1.26 -1.69 113.70 118.66 1rz1 s SER 72 Ca 0.39 0.85 0.28 0.00 0.48 0.00 0.00 55.95 57.96 1rz1 s SER 72 Cb -0.20 -1.75 1.35 0.00 0.10 0.00 0.00 66.02 65.51 1rz1 s SER 72 CO 0.24 -1.20 1.77 -0.61 0.98 0.00 0.00 173.24 174.42 1rz1 h GLN 73 N -0.38 0.18 -0.02 4.02 4.15 -0.97 -1.32 115.11 120.76 1rz1 h GLN 73 Ca -0.45 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1rz1 h GLN 73 Cb 1.26 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1rz1 h GLN 73 CO 0.62 0.12 0.00 -0.25 -1.93 0.00 0.00 178.83 177.39 1rz1 n ASP 74 N -4.42 0.24 -0.54 -0.69 8.00 -1.26 -4.24 116.55 113.64 1rz1 n ASP 74 Ca 0.27 -1.48 0.06 0.00 0.71 0.00 0.00 54.79 54.35 1rz1 n ASP 74 Cb 1.12 -0.02 0.19 0.00 -0.02 0.00 0.00 41.12 42.39 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 -0.62 1.68 -0.33 -1.24 6.02 -0.50 -4.71 117.38 117.69 1rz1 n GLN 75 Ca 0.14 -2.96 0.10 0.00 -0.01 0.00 0.00 57.00 54.27 1rz1 n GLN 75 Cb 0.10 -1.64 0.27 0.00 1.02 0.00 0.00 30.24 30.00 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 0.73 0.69 -0.46 -1.09 3.64 -1.75 -2.04 116.57 116.30 1rz1 h LYS 76 Ca 0.04 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1rz1 h LYS 76 Cb 1.17 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1rz1 h LYS 76 CO 0.09 0.46 0.05 0.28 -2.27 0.00 0.00 179.45 178.06 1rz1 h VAL 77 N 0.71 1.22 -0.36 2.00 2.07 -1.96 -2.70 116.25 117.25 1rz1 h VAL 77 Ca 0.52 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1rz1 h VAL 77 Cb 0.77 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1rz1 h VAL 77 CO -0.37 0.31 0.07 -0.07 0.02 0.00 0.00 177.57 177.53 1rz1 h LEU 78 N 0.68 0.55 -0.58 2.57 3.38 -1.75 -0.05 115.31 120.11 1rz1 h LEU 78 Ca 0.14 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1rz1 h LEU 78 Cb 0.35 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1rz1 h LEU 78 CO 0.01 0.66 0.00 -0.24 0.09 0.00 0.00 178.44 178.96 1rz1 n SER 79 N -4.59 0.00 0.00 -0.43 2.88 -0.89 -0.97 113.62 109.62 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 0.21 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 0.04 0.00 0.00 -3.46 5.15 -0.03 -2.07 115.26 114.88 1rz1 n ASN 81 Ca 0.00 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.11 1rz1 n ASN 81 Cb 0.00 0.00 0.80 0.00 -0.53 0.00 0.00 39.78 40.05 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 0.66 1.20 3.72 -0.14 -1.99 117.46 120.91 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 0.00 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 -0.98 2.44 -2.22 4.37 0.00 -0.88 -0.89 120.51 122.34 1rz1 n ALA 83 Ca 0.20 -0.82 -0.08 0.00 0.00 0.00 0.00 53.44 52.73 1rz1 n ALA 83 Cb 0.09 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.38 0.05 0.55 0.00 0.00 -0.84 -4.94 105.19 101.39 1rz1 n GLY 84 Ca 0.16 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.84 1.58 -4.24 1.61 6.02 -1.26 -4.91 117.38 114.34 1rz1 n GLN 85 Ca -0.09 -1.19 -0.35 0.00 -0.01 0.00 0.00 57.00 55.36 1rz1 n GLN 85 Cb 0.57 -1.34 -0.08 0.00 1.02 0.00 0.00 30.24 30.41 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 -1.89 3.76 0.17 1.08 1.43 -1.26 -4.97 118.68 117.00 1rz1 s LEU 86 Ca 0.18 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 1rz1 s LEU 86 Cb 0.15 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.47 1rz1 s LEU 86 CO 0.35 0.35 1.71 -0.33 0.23 0.00 0.00 176.35 178.66 1rz1 h GLU 87 N 4.85 0.87 -5.24 1.70 4.39 -2.00 -3.41 114.58 115.73 1rz1 h GLU 87 Ca -0.51 -0.17 -0.66 0.00 0.34 0.00 0.00 59.36 58.36 1rz1 h GLU 87 Cb 1.19 -0.13 -0.28 0.00 -0.10 0.00 0.00 28.75 29.43 1rz1 h GLU 87 CO 0.57 0.77 -0.77 0.21 -1.16 0.00 0.00 179.01 178.63 1rz1 s LYS 88 N -5.48 3.35 0.49 2.33 2.20 -1.26 -5.11 119.74 116.26 1rz1 s LYS 88 Ca -0.13 -0.69 -0.23 0.00 -0.36 0.00 0.00 55.97 54.56 1rz1 s LYS 88 Cb 0.13 -2.69 -0.07 0.00 -1.51 0.00 0.00 37.83 33.69 1rz1 s LYS 88 CO 0.80 0.11 1.32 -2.14 -0.36 0.00 0.00 175.35 175.07 1rz1 s PRO 89 N 0.62 3.51 0.42 4.03 0.02 -1.26 -5.01 135.00 137.33 1rz1 s PRO 89 Ca -0.07 2.16 -0.06 0.00 0.02 0.00 0.00 61.00 63.05 1rz1 s PRO 89 Cb -0.15 -2.45 -0.05 0.00 0.02 0.00 0.00 34.50 31.87 1rz1 s PRO 89 CO 0.03 -0.87 0.73 0.14 -0.33 0.00 0.00 177.00 176.70 1rz1 s VAL 90 N -1.33 4.91 -0.62 3.83 -7.23 -1.26 -5.02 120.40 113.69 1rz1 s VAL 90 Ca 0.65 0.25 -0.24 0.00 -1.81 0.00 0.00 61.98 60.83 1rz1 s VAL 90 Cb -0.38 -3.81 0.05 0.00 0.56 0.00 0.00 36.38 32.80 1rz1 s VAL 90 CO 0.47 -0.66 1.01 -0.62 -0.31 0.00 0.00 175.10 174.99 1rz1 s ASP 91 N -3.71 6.27 -0.04 4.85 2.15 -1.26 -5.00 116.67 119.93 1rz1 s ASP 91 Ca 0.47 -0.55 -0.16 0.00 0.43 0.00 0.00 52.55 52.74 1rz1 s ASP 91 Cb -0.10 -2.46 -0.05 0.00 -0.30 0.00 0.00 42.92 40.01 1rz1 s ASP 91 CO 0.38 -1.40 0.44 -0.69 -0.17 0.00 0.00 175.17 173.73 1rz1 s VAL 92 N 4.31 5.07 -0.50 1.11 1.01 -1.26 -5.03 120.40 125.11 1rz1 s VAL 92 Ca 0.29 0.90 -0.24 0.00 0.00 0.00 0.00 61.98 62.92 1rz1 s VAL 92 Cb -0.13 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.52 1rz1 s VAL 92 CO 0.16 0.48 0.90 -1.10 0.00 0.00 0.00 175.10 175.55 1rz1 s GLN 93 N -0.44 3.42 0.12 2.72 -1.52 -1.26 -5.05 119.66 117.66 1rz1 s GLN 93 Ca 0.24 -0.07 -0.00 0.00 -1.95 0.00 0.00 55.36 53.58 1rz1 s GLN 93 Cb -0.16 -3.98 -0.04 0.00 -0.22 0.00 0.00 33.01 28.60 1rz1 s GLN 93 CO 0.12 -1.31 0.29 -0.06 -0.25 0.00 0.00 175.29 174.08 1rz1 s PHE 94 N 3.74 3.50 0.00 0.91 0.40 -1.26 -2.03 117.98 123.24 1rz1 s PHE 94 Ca 0.33 0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.95 1rz1 s PHE 94 Cb -0.12 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1rz1 s PHE 94 CO 0.23 0.50 0.00 -0.85 0.70 0.00 0.00 175.22 175.80 1rz1 n GLU 95 N -0.13 0.97 -4.42 0.44 0.28 0.39 -4.84 120.64 113.33 1rz1 n GLU 95 Ca -0.05 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.76 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 -0.22 0.85 -0.20 3.44 2.12 -1.26 -0.61 118.70 122.83 1rz1 s GLU 96 Ca 0.00 -0.44 -0.09 0.00 0.36 0.00 0.00 54.97 54.80 1rz1 s GLU 96 Cb 0.00 -0.82 0.08 0.00 0.26 0.00 0.00 34.13 33.65 1rz1 s GLU 96 CO 0.00 0.22 0.45 -1.17 -0.54 0.00 0.00 175.26 174.22 1rz1 s LEU 97 N -0.42 -0.44 -1.35 2.70 2.96 -0.16 -4.88 118.68 117.09 1rz1 s LEU 97 Ca 0.03 1.02 -0.11 0.00 -0.22 0.00 0.00 54.13 54.85 1rz1 s LEU 97 Cb -0.05 1.47 0.09 0.00 0.50 0.00 0.00 46.19 48.20 1rz1 s LEU 97 CO -0.00 -0.21 0.56 0.61 -1.32 0.00 0.00 176.35 175.98 1rz1 n GLY 98 N 4.79 -0.48 2.22 7.98 0.00 -1.26 -0.72 105.19 117.72 1rz1 n GLY 98 Ca -0.16 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.23 0.62 3.60 -0.02 0.00 -1.26 -4.96 105.19 101.95 1rz1 n GLY 99 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 3.17 0.03 0.99 1.43 0.10 -4.96 118.68 119.44 1rz1 s LEU 100 Ca 0.00 -0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 1rz1 s LEU 100 Cb 0.00 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 1rz1 s LEU 100 CO 0.00 0.22 1.42 -2.16 0.23 0.00 0.00 176.35 176.07 1rz1 s PRO 101 N -1.87 4.28 0.21 1.29 0.04 -1.26 -0.98 135.00 136.71 1rz1 s PRO 101 Ca 0.20 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.36 1rz1 s PRO 101 Cb -0.11 -3.51 -0.05 0.00 0.04 0.00 0.00 34.50 30.87 1rz1 s PRO 101 CO 0.12 -0.56 -0.17 0.14 0.04 0.00 0.00 177.00 176.56 1rz1 s VAL 102 N 2.16 1.98 -0.16 -0.36 -7.23 0.22 -4.70 120.40 112.31 1rz1 s VAL 102 Ca 0.65 -2.18 -0.21 0.00 -1.81 0.00 0.00 61.98 58.44 1rz1 s VAL 102 Cb -0.33 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1rz1 s VAL 102 CO 0.28 -0.45 0.61 -0.63 -0.31 0.00 0.00 175.10 174.60 1rz1 s ILE 103 N -2.54 5.06 0.31 -0.62 1.01 -1.26 -0.46 121.20 122.69 1rz1 s ILE 103 Ca 0.22 1.18 -0.29 0.00 0.00 0.00 0.00 60.65 61.76 1rz1 s ILE 103 Cb -0.03 -3.93 -0.11 0.00 0.01 0.00 0.00 42.46 38.39 1rz1 s ILE 103 CO 0.09 0.17 1.50 -0.75 0.00 0.00 0.00 174.94 175.95 1rz1 s LYS 104 N 1.50 4.17 -0.04 2.79 2.20 -0.86 -2.59 119.74 126.92 1rz1 s LYS 104 Ca 0.29 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.38 1rz1 s LYS 104 Cb -0.16 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1rz1 s LYS 104 CO 0.12 -0.51 0.00 -0.25 -0.36 0.00 0.00 175.35 174.34 1rz1 n ASP 105 N 1.61 -4.62 -4.67 1.43 8.00 -1.26 -5.00 116.55 112.04 1rz1 n ASP 105 Ca 0.05 0.01 -0.37 0.00 0.71 0.00 0.00 54.79 55.19 1rz1 n ASP 105 Cb 0.39 -2.15 0.06 0.00 -0.02 0.00 0.00 41.12 39.40 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 1.01 0.65 -0.26 2.24 0.00 -1.07 -4.73 120.51 118.34 1rz1 n ALA 106 Ca -0.00 0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1rz1 n ALA 106 Cb 0.27 -2.21 0.20 0.00 0.00 0.00 0.00 19.45 17.71 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 0.54 0.31 -7.31 0.00 5.85 -0.75 -3.44 115.31 110.51 1rz1 h LEU 107 Ca -0.50 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.26 1rz1 h LEU 107 Cb 1.35 0.08 -0.17 0.00 0.37 0.00 0.00 40.66 42.29 1rz1 h LEU 107 CO 0.52 0.11 -0.06 0.00 -0.34 0.00 0.00 178.44 178.67 1rz1 s ALA 108 N -6.01 -1.13 -0.04 1.25 0.00 -1.10 -1.18 121.76 113.56 1rz1 s ALA 108 Ca -0.12 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.33 1rz1 s ALA 108 Cb 0.21 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1rz1 s ALA 108 CO 0.77 -0.44 -0.06 -0.65 0.00 0.00 0.00 175.76 175.37 1rz1 s GLN 109 N -2.21 0.90 -0.08 0.00 -0.21 0.13 -1.12 119.66 117.06 1rz1 s GLN 109 Ca -0.07 -0.19 -0.02 0.00 0.02 0.00 0.00 55.36 55.09 1rz1 s GLN 109 Cb -0.01 -0.86 0.04 0.00 1.00 0.00 0.00 33.01 33.18 1rz1 s GLN 109 CO -0.00 0.00 0.05 0.42 -2.12 0.00 0.00 175.29 173.64 1rz1 s ILE 110 N 0.60 0.02 -0.13 1.08 1.01 -0.71 -0.65 121.20 122.41 1rz1 s ILE 110 Ca -0.09 0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.70 1rz1 s ILE 110 Cb -0.12 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 1rz1 s ILE 110 CO 0.01 0.09 0.12 -0.44 0.00 0.00 0.00 174.94 174.71 1rz1 s SER 111 N 2.11 6.19 0.06 3.58 0.01 -0.39 -0.06 113.70 125.21 1rz1 s SER 111 Ca 0.04 0.38 0.03 0.00 1.31 0.00 0.00 55.95 57.70 1rz1 s SER 111 Cb -0.13 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.07 1rz1 s SER 111 CO -0.05 0.36 -0.09 0.00 0.41 0.00 0.00 173.24 173.87 1rz1 s GLN 113 N -1.97 3.66 0.05 0.00 -1.52 -0.29 -2.17 119.66 117.42 1rz1 s GLN 113 Ca -0.05 -0.52 -0.31 0.00 -1.95 0.00 0.00 55.36 52.53 1rz1 s GLN 113 Cb -0.08 -2.93 -0.08 0.00 -0.22 0.00 0.00 33.01 29.71 1rz1 s GLN 113 CO -0.00 0.21 1.60 0.08 -0.25 0.00 0.00 175.29 176.93 1rz1 s VAL 114 N 0.44 3.20 -0.22 1.09 1.01 -0.22 -0.74 120.40 124.96 1rz1 s VAL 114 Ca -0.03 0.63 0.09 0.00 0.00 0.00 0.00 61.98 62.67 1rz1 s VAL 114 Cb -0.14 -3.40 -0.12 0.00 0.00 0.00 0.00 36.38 32.71 1rz1 s VAL 114 CO 0.03 -0.00 0.30 1.33 0.00 0.00 0.00 175.10 176.75 1rz1 n VAL 115 N 4.73 0.00 -3.59 2.92 0.24 0.33 -4.91 118.33 118.06 1rz1 n VAL 115 Ca 0.15 -0.25 -0.15 0.00 -2.04 0.00 0.00 64.34 62.05 1rz1 n VAL 115 Cb 0.41 0.65 -0.06 0.00 -1.47 0.00 0.00 33.84 33.38 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 -2.45 -0.46 -0.07 -1.34 3.04 -1.14 -5.03 114.94 107.49 1rz1 s ASN 116 Ca 0.00 0.30 -0.03 0.00 0.04 0.00 0.00 52.86 53.17 1rz1 s ASN 116 Cb 0.06 0.48 0.04 0.00 -1.54 0.00 0.00 41.25 40.29 1rz1 s ASN 116 CO 0.38 -0.65 0.09 -0.70 -3.04 0.00 0.00 177.10 173.17 1rz1 s GLU 117 N -1.98 -0.03 -0.14 0.43 2.12 -1.26 -1.65 118.70 116.19 1rz1 s GLU 117 Ca -0.08 0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.59 1rz1 s GLU 117 Cb -0.01 -0.70 0.02 0.00 0.26 0.00 0.00 34.13 33.71 1rz1 s GLU 117 CO 0.02 -0.39 -0.14 0.08 -0.54 0.00 0.00 175.26 174.29 1rz1 s VAL 118 N 2.19 1.54 0.24 3.70 1.01 -0.46 -4.97 120.40 123.64 1rz1 s VAL 118 Ca 0.04 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 1rz1 s VAL 118 Cb -0.13 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.72 1rz1 s VAL 118 CO -0.05 0.45 1.04 -1.58 0.00 0.00 0.00 175.10 174.97 1rz1 s GLN 119 N 1.45 4.70 -0.31 2.72 0.74 -1.26 -0.81 119.66 126.90 1rz1 s GLN 119 Ca 0.04 1.68 -0.00 0.00 0.05 0.00 0.00 55.36 57.12 1rz1 s GLN 119 Cb -0.13 -3.24 0.14 0.00 1.10 0.00 0.00 33.01 30.87 1rz1 s GLN 119 CO -0.10 0.28 0.29 0.00 -0.55 0.00 0.00 175.29 175.21 1rz1 s ALA 120 N -0.93 -0.32 0.00 1.58 0.00 -0.13 -4.94 121.76 117.03 1rz1 s ALA 120 Ca 0.44 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1rz1 s ALA 120 Cb -0.29 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.02 1rz1 s ALA 120 CO 0.37 -1.80 0.00 0.41 0.00 0.00 0.00 175.76 174.73 1rz1 n GLY 121 N 5.06 3.35 0.05 0.00 0.00 -1.26 -1.79 105.19 110.62 1rz1 n GLY 121 Ca 0.01 0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 4.52 0.17 -4.22 1.61 10.43 -1.26 -4.84 116.55 122.96 1rz1 n ASP 122 Ca 0.00 0.53 -0.12 0.00 2.57 0.00 0.00 54.79 57.77 1rz1 n ASP 122 Cb 0.00 -0.55 -0.10 0.00 1.84 0.00 0.00 41.12 42.31 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 -3.09 1.15 -0.06 1.24 3.76 -0.74 -1.21 115.29 116.34 1rz1 s HIS 123 Ca -0.01 -1.22 0.05 0.00 -0.15 0.00 0.00 55.06 53.73 1rz1 s HIS 123 Cb 0.02 -0.63 -0.00 0.00 1.11 0.00 0.00 32.58 33.07 1rz1 s HIS 123 CO 0.06 -0.45 -0.20 0.99 -0.85 0.00 0.00 174.74 174.29 1rz1 s THR 124 N -3.93 1.67 -0.27 1.30 2.01 0.41 -0.95 115.64 115.87 1rz1 s THR 124 Ca 0.31 -0.83 -0.17 0.00 0.31 0.00 0.00 61.69 61.31 1rz1 s THR 124 Cb 0.07 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 1rz1 s THR 124 CO 0.07 0.47 0.46 -0.76 -0.69 0.00 0.00 174.62 174.17 1rz1 s LEU 125 N 0.09 4.07 -0.39 4.42 1.43 0.01 -0.63 118.68 127.68 1rz1 s LEU 125 Ca -0.07 0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 53.28 1rz1 s LEU 125 Cb -0.14 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.54 1rz1 s LEU 125 CO 0.04 -0.26 0.27 -0.36 0.23 0.00 0.00 176.35 176.26 1rz1 s PHE 126 N 2.22 3.24 -0.13 0.29 0.08 -0.21 -1.35 117.98 122.11 1rz1 s PHE 126 Ca 0.18 -0.65 -0.22 0.00 0.12 0.00 0.00 56.93 56.37 1rz1 s PHE 126 Cb -0.16 -2.53 -0.03 0.00 -0.57 0.00 0.00 43.02 39.73 1rz1 s PHE 126 CO 0.10 -0.58 0.67 0.42 -0.10 0.00 0.00 175.22 175.73 1rz1 s ILE 127 N 1.65 5.03 -0.02 0.64 1.01 -0.66 -2.00 121.20 126.87 1rz1 s ILE 127 Ca 0.04 1.32 0.06 0.00 0.00 0.00 0.00 60.65 62.08 1rz1 s ILE 127 Cb -0.19 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 1rz1 s ILE 127 CO 0.09 0.18 -0.21 -0.83 0.00 0.00 0.00 174.94 174.17 1rz1 s GLY 128 N 0.96 1.02 -0.15 6.18 0.00 0.05 -0.51 107.32 114.87 1rz1 s GLY 128 Ca 0.33 -0.90 -0.20 0.00 0.00 0.00 0.00 44.72 43.95 1rz1 s GLY 128 CO 0.14 -0.75 0.57 1.85 0.00 0.00 0.00 173.10 174.91 1rz1 s GLU 129 N -0.50 4.28 -0.04 2.90 2.12 0.08 -0.86 118.70 126.67 1rz1 s GLU 129 Ca 0.08 0.56 -0.30 0.00 0.36 0.00 0.00 54.97 55.67 1rz1 s GLU 129 Cb -0.08 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1rz1 s GLU 129 CO -0.01 -0.06 1.23 0.08 -0.54 0.00 0.00 175.26 175.97 1rz1 s VAL 130 N 1.30 4.16 -0.20 3.70 1.01 -0.32 -1.14 120.40 128.92 1rz1 s VAL 130 Ca 0.28 1.50 0.10 0.00 0.00 0.00 0.00 61.98 63.86 1rz1 s VAL 130 Cb -0.16 -3.96 -0.19 0.00 0.00 0.00 0.00 36.38 32.07 1rz1 s VAL 130 CO 0.11 0.00 -0.05 0.35 0.00 0.00 0.00 175.10 175.52 1rz1 n THR 131 N 4.61 1.24 -3.84 3.92 -2.24 -0.02 -4.90 114.28 113.05 1rz1 n THR 131 Ca 0.11 -0.64 -0.12 0.00 -2.27 0.00 0.00 64.05 61.14 1rz1 n THR 131 Cb 0.46 -0.85 -0.10 0.00 -2.10 0.00 0.00 70.33 67.73 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 -5.59 -0.05 -0.01 3.42 1.01 -1.22 -5.01 116.67 109.21 1rz1 s ASP 132 Ca -0.18 -0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.06 1rz1 s ASP 132 Cb 0.06 0.26 0.00 0.00 1.01 0.00 0.00 42.92 44.26 1rz1 s ASP 132 CO 0.64 -0.31 -0.04 -0.63 0.21 0.00 0.00 175.17 175.04 1rz1 s ILE 133 N -1.02 0.37 -0.03 0.77 1.01 -1.26 -1.26 121.20 119.77 1rz1 s ILE 133 Ca -0.11 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.38 1rz1 s ILE 133 Cb -0.06 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 42.10 1rz1 s ILE 133 CO 0.02 0.12 -0.02 -0.75 0.00 0.00 0.00 174.94 174.30 1rz1 s LYS 134 N 0.07 0.55 0.12 2.79 2.20 0.17 -4.99 119.74 120.65 1rz1 s LYS 134 Ca -0.00 -0.02 0.10 0.00 -0.36 0.00 0.00 55.97 55.68 1rz1 s LYS 134 Cb -0.04 -0.63 -0.04 0.00 -1.51 0.00 0.00 37.83 35.61 1rz1 s LYS 134 CO -0.00 -0.09 -0.24 0.42 -0.36 0.00 0.00 175.35 175.07 1rz1 s ILE 135 N 0.88 2.03 0.36 5.43 1.01 -1.26 0.17 121.20 129.83 1rz1 s ILE 135 Ca -0.10 -1.67 0.03 0.00 0.00 0.00 0.00 60.65 58.91 1rz1 s ILE 135 Cb -0.13 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1rz1 s ILE 135 CO -0.01 0.03 0.09 0.42 0.00 0.00 0.00 174.94 175.47 1rz1 s THR 136 N -1.10 0.92 -0.37 2.92 -4.23 -0.32 -4.98 115.64 108.47 1rz1 s THR 136 Ca 0.11 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.69 1rz1 s THR 136 Cb -0.10 -2.58 0.66 0.00 1.34 0.00 0.00 72.50 71.82 1rz1 s THR 136 CO 0.05 0.00 1.79 -0.62 -0.54 0.00 0.00 174.62 175.30 1rz1 n GLU 137 N -0.79 2.70 -1.20 3.99 -0.58 -1.26 -4.88 120.64 118.63 1rz1 n GLU 137 Ca -0.04 -3.06 -0.31 0.00 -0.42 0.00 0.00 57.16 53.33 1rz1 n GLU 137 Cb 0.66 -2.12 0.11 0.00 -0.57 0.00 0.00 31.44 29.52 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 -3.17 1.89 0.29 3.49 -0.21 -1.26 -5.04 119.66 115.65 1rz1 s GLN 138 Ca 0.54 1.11 -0.22 0.00 0.02 0.00 0.00 55.36 56.81 1rz1 s GLN 138 Cb 0.45 -1.86 -0.09 0.00 1.00 0.00 0.00 33.01 32.51 1rz1 s GLN 138 CO 0.10 -1.88 0.83 -0.51 -2.12 0.00 0.00 175.29 171.71 1rz1 s ASP 139 N -3.34 7.12 0.31 5.90 1.01 -1.26 -5.00 116.67 121.41 1rz1 s ASP 139 Ca 0.62 1.59 -0.21 0.00 0.71 0.00 0.00 52.55 55.25 1rz1 s ASP 139 Cb -0.18 -2.49 -0.09 0.00 1.01 0.00 0.00 42.92 41.17 1rz1 s ASP 139 CO 0.56 -0.07 0.84 -2.16 0.21 0.00 0.00 175.17 174.55 1rz1 s PRO 140 N -2.24 4.33 0.17 8.23 0.04 -1.26 -0.58 135.00 143.68 1rz1 s PRO 140 Ca 0.49 1.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 1rz1 s PRO 140 Cb -0.16 -2.67 -0.08 0.00 0.04 0.00 0.00 34.50 31.63 1rz1 s PRO 140 CO 0.21 0.25 1.30 -1.17 0.04 0.00 0.00 177.00 177.63 1rz1 s LEU 141 N -2.34 4.41 0.19 -3.56 2.96 -0.68 -3.98 118.68 115.68 1rz1 s LEU 141 Ca 0.50 2.32 0.11 0.00 -0.22 0.00 0.00 54.13 56.84 1rz1 s LEU 141 Cb -0.15 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 1rz1 s LEU 141 CO 0.20 -0.52 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.76 1rz1 s LEU 142 N 0.21 2.62 -0.07 -0.68 1.43 -0.65 -3.35 118.68 118.19 1rz1 s LEU 142 Ca 0.58 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1rz1 s LEU 142 Cb -0.35 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.55 1rz1 s LEU 142 CO 0.36 0.11 -0.05 0.12 0.23 0.00 0.00 176.35 177.12 1rz1 s PHE 143 N -1.70 0.97 -0.23 0.29 5.36 0.03 -0.94 117.98 121.75 1rz1 s PHE 143 Ca 0.22 -0.34 -0.18 0.00 -0.96 0.00 0.00 56.93 55.68 1rz1 s PHE 143 Cb -0.08 -0.86 0.06 0.00 -0.34 0.00 0.00 43.02 41.81 1rz1 s PHE 143 CO 0.12 -0.29 0.59 0.12 -1.46 0.00 0.00 175.22 174.30 1rz1 s PHE 144 N 1.25 -0.75 -1.68 10.12 5.36 -0.35 -1.80 117.98 130.13 1rz1 s PHE 144 Ca -0.05 1.68 -0.18 0.00 -0.96 0.00 0.00 56.93 57.42 1rz1 s PHE 144 Cb -0.14 0.33 0.15 0.00 -0.34 0.00 0.00 43.02 43.02 1rz1 s PHE 144 CO -0.02 -0.37 0.81 0.43 -1.46 0.00 0.00 175.22 174.60 1rz1 n SER 145 N 3.39 -3.43 0.00 6.13 7.64 0.10 -1.21 113.62 126.24 1rz1 n SER 145 Ca -0.17 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.73 1rz1 n SER 145 Cb 0.57 -2.90 0.00 0.00 -1.01 0.00 0.00 64.21 60.86 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 -1.45 0.52 3.26 0.23 0.00 -1.26 -5.01 105.19 101.47 1rz1 n GLY 146 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.27 1.07 0.24 1.61 1.02 -0.35 -5.14 119.74 117.92 1rz1 s LYS 147 Ca 0.00 -1.32 -0.30 0.00 0.02 0.00 0.00 55.97 54.37 1rz1 s LYS 147 Cb 0.00 -0.90 -0.09 0.00 -0.52 0.00 0.00 37.83 36.32 1rz1 s LYS 147 CO 0.00 0.16 0.94 0.71 -0.92 0.00 0.00 175.35 176.24 1rz1 s TYR 148 N -2.41 3.99 0.25 3.18 2.02 -1.26 -1.22 117.35 121.90 1rz1 s TYR 148 Ca 0.12 1.92 -0.01 0.00 -0.37 0.00 0.00 57.07 58.72 1rz1 s TYR 148 Cb -0.03 -2.98 -0.03 0.00 -0.40 0.00 0.00 41.96 38.52 1rz1 s TYR 148 CO 0.03 0.45 0.25 -1.01 -1.57 0.00 0.00 175.55 173.70 1rz1 s HIS 149 N -1.15 1.15 0.11 2.71 3.76 -0.12 -4.94 115.29 116.82 1rz1 s HIS 149 Ca 0.41 -1.33 0.04 0.00 -0.15 0.00 0.00 55.06 54.03 1rz1 s HIS 149 Cb -0.26 -0.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.96 1rz1 s HIS 149 CO 0.32 -0.79 -0.11 -0.65 -0.85 0.00 0.00 174.74 172.67 1rz1 s GLN 150 N -3.89 0.93 0.29 1.40 -0.21 -1.26 -1.64 119.66 115.28 1rz1 s GLN 150 Ca 0.36 -1.26 -0.29 0.00 0.02 0.00 0.00 55.36 54.19 1rz1 s GLN 150 Cb 0.04 -0.60 -0.10 0.00 1.00 0.00 0.00 33.01 33.35 1rz1 s GLN 150 CO 0.16 0.09 1.32 -0.51 -2.12 0.00 0.00 175.29 174.22 1rz1 s LEU 151 N -2.67 4.43 0.22 2.90 1.43 -1.26 -5.00 118.68 118.72 1rz1 s LEU 151 Ca 0.09 2.60 -0.32 0.00 -1.03 0.00 0.00 54.13 55.48 1rz1 s LEU 151 Cb -0.01 -3.64 -0.12 0.00 0.03 0.00 0.00 46.19 42.46 1rz1 s LEU 151 CO 0.00 -0.54 1.68 0.00 0.23 0.00 0.00 176.35 177.72 1rz1 s ALA 152 N -0.70 3.88 -2.77 4.21 0.00 -1.26 -5.12 121.76 120.01 1rz1 s ALA 152 Ca 0.52 1.55 0.22 0.00 0.00 0.00 0.00 51.96 54.25 1rz1 s ALA 152 Cb -0.39 -3.68 0.18 0.00 0.00 0.00 0.00 23.12 19.23 1rz1 s ALA 152 CO 0.48 -0.91 1.20 1.04 0.00 0.00 0.00 175.76 177.57