#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rz0 h ASP 3 N 0.00 1.08 -0.24 -2.24 3.45 -2.05 -1.67 116.42 114.75 1rz0 h ASP 3 Ca 0.00 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.45 1rz0 h ASP 3 Cb 0.00 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.51 1rz0 h ASP 3 CO 0.00 0.75 0.15 -0.09 -1.57 0.00 0.00 179.24 178.48 1rz0 h ARG 4 N 1.26 0.33 -0.52 3.56 2.43 -2.05 -0.39 114.38 119.01 1rz0 h ARG 4 Ca 0.39 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.51 1rz0 h ARG 4 Cb -0.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1rz0 h ARG 4 CO -0.12 0.26 0.23 1.25 -1.51 0.00 0.00 179.97 180.08 1rz0 h LEU 5 N 0.31 0.69 0.07 3.80 5.85 -1.93 0.10 115.31 124.20 1rz0 h LEU 5 Ca 0.09 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1rz0 h LEU 5 Cb 0.01 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1rz0 h LEU 5 CO -0.02 0.64 -0.13 0.15 -0.34 0.00 0.00 178.44 178.75 1rz0 h PHE 6 N 0.69 -0.33 -0.80 1.25 3.57 -1.09 -0.52 116.94 119.71 1rz0 h PHE 6 Ca 0.18 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1rz0 h PHE 6 Cb 0.15 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 1rz0 h PHE 6 CO -0.00 -0.19 0.49 0.00 -2.23 0.00 0.00 178.31 176.38 1rz0 h ARG 7 N -0.25 1.09 -0.53 1.11 3.08 -0.88 -2.29 114.38 115.71 1rz0 h ARG 7 Ca 0.02 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1rz0 h ARG 7 Cb 0.27 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1rz0 h ARG 7 CO -0.08 0.76 0.35 -0.91 -1.07 0.00 0.00 179.97 179.02 1rz0 h ASN 8 N 1.10 0.59 0.00 7.04 2.35 -0.75 -1.40 115.58 124.51 1rz0 h ASN 8 Ca 0.29 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1rz0 h ASN 8 Cb -0.06 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1rz0 h ASN 8 CO -0.06 0.42 0.00 0.00 -1.65 0.00 0.00 177.43 176.15 1rz0 n ALA 9 N -2.25 1.30 0.00 -0.83 0.00 -0.22 -2.79 120.51 115.71 1rz0 n ALA 9 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1rz0 n ALA 9 Cb 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1rz0 n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rz0 n GLY 11 N 0.73 0.00 0.02 0.00 0.00 -0.53 -3.90 105.19 101.51 1rz0 n GLY 11 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1rz0 n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rz0 n LYS 12 N 0.00 0.03 -3.02 1.61 4.76 -1.12 -0.63 118.16 119.78 1rz0 n LYS 12 Ca 0.00 0.19 -0.43 0.00 -2.87 0.00 0.00 58.31 55.20 1rz0 n LYS 12 Cb 0.00 -1.55 -0.05 0.00 -1.84 0.00 0.00 35.03 31.59 1rz0 n LYS 12 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1rz0 s PHE 13 N -3.04 2.93 0.43 2.13 5.36 -1.25 -4.94 117.98 119.61 1rz0 s PHE 13 Ca 0.09 -0.37 -0.24 0.00 -0.96 0.00 0.00 56.93 55.44 1rz0 s PHE 13 Cb 0.12 -3.79 -0.08 0.00 -0.34 0.00 0.00 43.02 38.93 1rz0 s PHE 13 CO 0.37 -1.19 1.24 0.00 -1.46 0.00 0.00 175.22 174.17 1rz0 s ALA 14 N 3.18 3.11 0.12 11.12 0.00 -1.26 -4.85 121.76 133.18 1rz0 s ALA 14 Ca 0.21 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 53.21 1rz0 s ALA 14 Cb -0.17 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 1rz0 s ALA 14 CO 0.14 -0.76 0.14 0.95 0.00 0.00 0.00 175.76 176.23 1rz0 s THR 15 N -1.38 0.12 0.60 0.00 -4.23 -0.52 -5.00 115.64 105.23 1rz0 s THR 15 Ca 0.60 -1.58 -0.10 0.00 -1.18 0.00 0.00 61.69 59.43 1rz0 s THR 15 Cb -0.34 -1.74 0.15 0.00 1.34 0.00 0.00 72.50 71.91 1rz0 s THR 15 CO 0.42 -0.55 0.47 0.61 -0.54 0.00 0.00 174.62 175.04 1rz0 n GLY 16 N -0.09 -2.95 2.95 3.99 0.00 -1.26 -0.53 105.19 107.31 1rz0 n GLY 16 Ca -0.10 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.32 1rz0 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rz0 s VAL 17 N -1.79 0.64 0.32 1.61 1.01 -1.17 -4.50 120.40 116.52 1rz0 s VAL 17 Ca 0.32 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 62.15 1rz0 s VAL 17 Cb -0.04 -0.60 -0.06 0.00 0.00 0.00 0.00 36.38 35.68 1rz0 s VAL 17 CO 0.25 0.22 -0.12 0.42 0.00 0.00 0.00 175.10 175.87 1rz0 s THR 18 N 0.43 2.24 -0.14 3.92 -4.23 -0.15 -0.54 115.64 117.18 1rz0 s THR 18 Ca -0.06 -2.25 0.01 0.00 -1.18 0.00 0.00 61.69 58.21 1rz0 s THR 18 Cb -0.10 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 1rz0 s THR 18 CO 0.00 -0.27 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.97 1rz0 s VAL 19 N -2.62 2.69 -0.15 2.29 1.01 0.49 -0.86 120.40 123.24 1rz0 s VAL 19 Ca 0.31 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 1rz0 s VAL 19 Cb 0.01 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1rz0 s VAL 19 CO 0.16 0.52 0.61 -0.63 0.00 0.00 0.00 175.10 175.76 1rz0 s ILE 20 N 0.61 5.06 0.16 2.22 -1.09 -1.26 -0.39 121.20 126.50 1rz0 s ILE 20 Ca -0.09 1.20 0.10 0.00 -2.23 0.00 0.00 60.65 59.63 1rz0 s ILE 20 Cb -0.16 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1rz0 s ILE 20 CO 0.03 0.19 -0.18 0.42 -1.23 0.00 0.00 174.94 174.17 1rz0 s THR 21 N 1.37 2.73 0.25 2.92 -4.23 -0.18 -4.11 115.64 114.40 1rz0 s THR 21 Ca 0.30 -1.74 -0.14 0.00 -1.18 0.00 0.00 61.69 58.94 1rz0 s THR 21 Cb -0.16 -2.30 -0.00 0.00 1.34 0.00 0.00 72.50 71.38 1rz0 s THR 21 CO 0.12 -0.03 0.51 0.28 -0.54 0.00 0.00 174.62 174.96 1rz0 s THR 22 N -1.46 0.00 -0.05 3.99 -1.32 -0.02 -1.01 115.64 115.77 1rz0 s THR 22 Ca 0.20 -1.36 0.04 0.00 -1.21 0.00 0.00 61.69 59.36 1rz0 s THR 22 Cb -0.09 -2.19 0.00 0.00 -1.51 0.00 0.00 72.50 68.71 1rz0 s THR 22 CO 0.11 0.00 -0.15 -0.70 -2.21 0.00 0.00 174.62 171.67 1rz0 s GLU 23 N -3.99 1.72 -0.28 7.08 2.12 -1.26 -0.51 118.70 123.57 1rz0 s GLU 23 Ca 0.21 -0.54 -0.02 0.00 0.36 0.00 0.00 54.97 54.98 1rz0 s GLU 23 Cb -0.01 -1.47 0.09 0.00 0.26 0.00 0.00 34.13 33.00 1rz0 s GLU 23 CO 0.09 0.18 0.10 -1.17 -0.54 0.00 0.00 175.26 173.91 1rz0 s LEU 24 N 0.20 1.62 -1.02 2.70 2.96 -0.13 -4.81 118.68 120.20 1rz0 s LEU 24 Ca -0.07 -1.41 -0.13 0.00 -0.22 0.00 0.00 54.13 52.30 1rz0 s LEU 24 Cb -0.12 -0.69 -0.01 0.00 0.50 0.00 0.00 46.19 45.87 1rz0 s LEU 24 CO 0.03 -0.40 0.77 0.59 -1.32 0.00 0.00 176.35 176.01 1rz0 n ASN 25 N 4.99 -5.85 0.00 3.68 3.02 -1.26 -2.82 115.26 117.01 1rz0 n ASN 25 Ca -0.04 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1rz0 n ASN 25 Cb 0.43 -3.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 1rz0 n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rz0 n GLY 26 N -1.64 1.89 3.71 7.41 0.00 -1.26 -5.00 105.19 110.30 1rz0 n GLY 26 Ca -0.10 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1rz0 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rz0 s ALA 27 N -0.17 3.35 -0.10 4.61 0.00 -1.13 -5.03 121.76 123.30 1rz0 s ALA 27 Ca 0.00 0.80 -0.22 0.00 0.00 0.00 0.00 51.96 52.54 1rz0 s ALA 27 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1rz0 s ALA 27 CO 0.00 -0.39 0.63 0.08 0.00 0.00 0.00 175.76 176.08 1rz0 s VAL 28 N 0.99 5.08 0.01 0.00 1.01 -1.26 -0.96 120.40 125.27 1rz0 s VAL 28 Ca 0.57 1.28 0.08 0.00 0.00 0.00 0.00 61.98 63.91 1rz0 s VAL 28 Cb -0.28 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 1rz0 s VAL 28 CO 0.29 0.24 -0.26 -1.00 0.00 0.00 0.00 175.10 174.38 1rz0 s HIS 29 N 0.97 2.34 0.00 5.22 3.76 0.33 -4.99 115.29 122.91 1rz0 s HIS 29 Ca 0.33 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 1rz0 s HIS 29 Cb -0.17 -1.46 0.00 0.00 1.11 0.00 0.00 32.58 32.07 1rz0 s HIS 29 CO 0.15 0.03 0.00 0.41 -0.85 0.00 0.00 174.74 174.48 1rz0 n GLY 30 N 2.16 4.42 3.41 -2.22 0.00 -1.26 -0.84 105.19 110.87 1rz0 n GLY 30 Ca -0.16 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 1rz0 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rz0 s THR 32 N -1.29 3.11 -0.12 2.61 2.01 0.25 -4.94 115.64 117.26 1rz0 s THR 32 Ca 0.00 -0.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 1rz0 s THR 32 Cb 0.00 -2.28 0.03 0.00 0.01 0.00 0.00 72.50 70.26 1rz0 s THR 32 CO 0.00 0.54 0.30 0.00 -0.69 0.00 0.00 174.62 174.78 1rz0 s ALA 33 N 0.01 -0.75 -0.39 7.40 0.00 -0.04 -4.87 121.76 123.11 1rz0 s ALA 33 Ca -0.04 0.92 0.05 0.00 0.00 0.00 0.00 51.96 52.90 1rz0 s ALA 33 Cb -0.14 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1rz0 s ALA 33 CO 0.04 -0.16 0.35 0.27 0.00 0.00 0.00 175.76 176.27 1rz0 n ASN 34 N 3.17 0.59 -4.17 0.00 6.94 -1.26 -0.97 115.26 119.56 1rz0 n ASN 34 Ca -0.15 -0.80 -0.41 0.00 -0.02 0.00 0.00 54.58 53.20 1rz0 n ASN 34 Cb 0.57 0.73 -0.01 0.00 -2.36 0.00 0.00 39.78 38.71 1rz0 n ASN 34 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rz0 n ALA 35 N -0.72 4.19 -2.40 -2.53 0.00 -1.26 -4.91 120.51 112.87 1rz0 n ALA 35 Ca 0.02 -3.76 -0.22 0.00 0.00 0.00 0.00 53.44 49.48 1rz0 n ALA 35 Cb 0.10 -3.57 -0.08 0.00 0.00 0.00 0.00 19.45 15.89 1rz0 n ALA 35 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1rz0 s PHE 36 N 4.41 1.72 0.06 0.00 5.36 -1.26 -2.00 117.98 126.27 1rz0 s PHE 36 Ca 0.53 -1.41 -0.30 0.00 -0.96 0.00 0.00 56.93 54.79 1rz0 s PHE 36 Cb 0.08 -0.95 -0.05 0.00 -0.34 0.00 0.00 43.02 41.77 1rz0 s PHE 36 CO 0.02 -0.51 1.00 0.45 -1.46 0.00 0.00 175.22 174.71 1rz0 s SER 38 N -3.47 7.39 -0.08 6.13 0.15 -1.26 -5.02 113.70 117.54 1rz0 s SER 38 Ca 0.32 1.76 -0.07 0.00 0.70 0.00 0.00 55.95 58.66 1rz0 s SER 38 Cb 0.03 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 1rz0 s SER 38 CO 0.19 -0.20 -0.16 0.52 1.20 0.00 0.00 173.24 174.79 1rz0 n VAL 39 N 3.39 0.99 -3.84 4.45 0.31 -0.48 -4.92 118.33 118.23 1rz0 n VAL 39 Ca 0.05 0.04 -0.12 0.00 -0.01 0.00 0.00 64.34 64.30 1rz0 n VAL 39 Cb 0.50 -1.79 -0.12 0.00 -0.91 0.00 0.00 33.84 31.52 1rz0 n VAL 39 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1rz0 s SER 40 N -6.04 -0.09 -0.14 4.52 0.15 -1.00 -4.95 113.70 106.14 1rz0 s SER 40 Ca -0.15 0.13 -0.16 0.00 0.70 0.00 0.00 55.95 56.47 1rz0 s SER 40 Cb 0.04 0.28 -0.24 0.00 -1.71 0.00 0.00 66.02 64.39 1rz0 s SER 40 CO 0.20 -0.16 0.40 0.25 1.20 0.00 0.00 173.24 175.13 1rz0 h LEU 41 N 5.34 0.25 -7.40 3.45 5.85 -1.94 0.23 115.31 121.09 1rz0 h LEU 41 Ca -0.27 -0.77 -0.60 0.00 0.84 0.00 0.00 57.88 57.08 1rz0 h LEU 41 Cb 1.20 -0.08 -0.40 0.00 0.37 0.00 0.00 40.66 41.75 1rz0 h LEU 41 CO 0.41 1.63 -0.76 0.20 -0.34 0.00 0.00 178.44 179.58 1rz0 s ASN 42 N -6.96 4.07 0.98 1.25 0.01 -1.26 -2.41 114.94 110.62 1rz0 s ASN 42 Ca -0.24 -1.58 -0.15 0.00 -0.71 0.00 0.00 52.86 50.18 1rz0 s ASN 42 Cb 0.05 -1.10 0.18 0.00 0.41 0.00 0.00 41.25 40.80 1rz0 s ASN 42 CO 0.71 -0.36 1.18 -2.16 -1.51 0.00 0.00 177.10 174.96 1rz0 s PRO 43 N 1.42 0.56 -0.73 -0.60 0.04 -1.26 -5.05 135.00 129.37 1rz0 s PRO 43 Ca 0.05 0.03 -0.27 0.00 0.04 0.00 0.00 61.00 60.85 1rz0 s PRO 43 Cb -0.18 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.59 1rz0 s PRO 43 CO -0.15 -2.54 1.28 0.15 0.04 0.00 0.00 177.00 175.77 1rz0 s LYS 44 N -5.47 3.20 0.19 4.56 1.02 -1.01 -4.51 119.74 117.72 1rz0 s LYS 44 Ca 0.68 -0.22 0.11 0.00 0.02 0.00 0.00 55.97 56.56 1rz0 s LYS 44 Cb -0.11 -4.17 -0.04 0.00 -0.52 0.00 0.00 37.83 32.99 1rz0 s LYS 44 CO 0.54 -2.13 -0.24 -0.51 -0.92 0.00 0.00 175.35 172.09 1rz0 s LEU 45 N 5.71 2.43 0.20 3.17 1.43 0.07 -1.30 118.68 130.38 1rz0 s LEU 45 Ca 0.35 -0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1rz0 s LEU 45 Cb -0.08 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 1rz0 s LEU 45 CO 0.15 0.11 0.15 0.54 0.23 0.00 0.00 176.35 177.53 1rz0 s VAL 46 N -1.66 0.00 -0.12 -1.59 0.11 0.82 -1.38 120.40 116.59 1rz0 s VAL 46 Ca 0.20 -1.96 -0.12 0.00 -2.93 0.00 0.00 61.98 57.17 1rz0 s VAL 46 Cb -0.08 -2.48 0.03 0.00 -1.53 0.00 0.00 36.38 32.33 1rz0 s VAL 46 CO 0.09 -0.01 0.33 -0.22 -3.33 0.00 0.00 175.10 171.96 1rz0 s LEU 47 N -3.15 0.75 0.10 2.54 0.20 -1.26 -0.41 118.68 117.45 1rz0 s LEU 47 Ca 0.38 0.62 0.06 0.00 0.69 0.00 0.00 54.13 55.87 1rz0 s LEU 47 Cb 0.07 1.14 -0.03 0.00 -0.43 0.00 0.00 46.19 46.93 1rz0 s LEU 47 CO 0.12 -0.14 -0.14 0.54 -0.29 0.00 0.00 176.35 176.43 1rz0 s VAL 48 N 0.05 1.26 -0.15 1.68 0.11 -0.89 -4.37 120.40 118.09 1rz0 s VAL 48 Ca -0.01 -1.57 0.01 0.00 -2.93 0.00 0.00 61.98 57.47 1rz0 s VAL 48 Cb -0.03 -1.38 0.02 0.00 -1.53 0.00 0.00 36.38 33.47 1rz0 s VAL 48 CO 0.01 -0.35 -0.16 -0.55 -3.33 0.00 0.00 175.10 170.72 1rz0 s SER 49 N -2.20 2.79 -0.12 3.54 0.15 -0.85 -0.70 113.70 116.31 1rz0 s SER 49 Ca 0.05 -0.52 0.02 0.00 0.70 0.00 0.00 55.95 56.20 1rz0 s SER 49 Cb -0.07 -1.25 -0.00 0.00 -1.71 0.00 0.00 66.02 62.99 1rz0 s SER 49 CO 0.03 -0.04 -0.21 -0.63 1.20 0.00 0.00 173.24 173.59 1rz0 s ILE 50 N 1.40 2.31 0.62 6.45 1.01 -0.42 -4.79 121.20 127.78 1rz0 s ILE 50 Ca 0.04 -0.92 -0.19 0.00 0.00 0.00 0.00 60.65 59.59 1rz0 s ILE 50 Cb -0.13 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 1rz0 s ILE 50 CO -0.11 0.55 1.26 -0.83 0.00 0.00 0.00 174.94 175.81 1rz0 s GLY 51 N 0.49 2.82 0.57 6.18 0.00 -1.26 -0.70 107.32 115.42 1rz0 s GLY 51 Ca -0.13 1.14 0.35 0.00 0.00 0.00 0.00 44.72 46.07 1rz0 s GLY 51 CO 0.05 1.56 2.11 1.05 0.00 0.00 0.00 173.10 177.87 1rz0 h GLU 52 N 0.75 0.00 -0.01 2.90 4.11 -1.43 -1.93 114.58 118.96 1rz0 h GLU 52 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1rz0 h GLU 52 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1rz0 h GLU 52 CO 0.54 0.04 -0.20 1.63 0.07 0.00 0.00 179.01 181.09 1rz0 n LYS 53 N -3.23 1.35 -2.77 1.06 5.02 -1.26 -4.93 118.16 113.40 1rz0 n LYS 53 Ca -0.01 -0.93 -0.41 0.00 -2.02 0.00 0.00 58.31 54.94 1rz0 n LYS 53 Cb 0.23 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 1rz0 n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rz0 s ALA 54 N -2.30 3.25 0.00 7.82 0.00 -0.73 -5.02 121.76 124.78 1rz0 s ALA 54 Ca 0.27 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1rz0 s ALA 54 Cb 0.20 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1rz0 s ALA 54 CO 0.45 -0.05 0.10 1.63 0.00 0.00 0.00 175.76 177.89 1rz0 n LYS 55 N 3.01 0.00 0.00 0.00 5.02 -1.26 -4.31 118.16 120.62 1rz0 n LYS 55 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1rz0 n LYS 55 Cb 0.50 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1rz0 n LYS 55 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1rz0 n LEU 57 N 2.11 0.00 0.12 -0.35 0.00 -1.26 -3.02 117.00 114.60 1rz0 n LEU 57 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.00 1rz0 n LEU 57 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 43.42 43.69 1rz0 n LEU 57 CO 0.05 0.00 0.68 1.05 0.00 0.00 0.00 177.39 179.17 1rz0 h GLU 58 N 0.00 0.18 -0.34 1.96 9.09 -1.96 -1.50 114.58 122.00 1rz0 h GLU 58 Ca 0.00 -0.08 0.05 0.00 0.05 0.00 0.00 59.36 59.38 1rz0 h GLU 58 Cb 0.00 -0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 27.05 1rz0 h GLU 58 CO 0.00 0.54 0.07 0.87 0.05 0.00 0.00 179.01 180.54 1rz0 h LYS 59 N 0.16 0.19 -0.15 1.06 1.79 -1.89 -1.38 116.57 116.34 1rz0 h LYS 59 Ca 0.02 -0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.32 1rz0 h LYS 59 Cb 0.74 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 1rz0 h LYS 59 CO 0.06 0.12 -0.57 0.82 -1.08 0.00 0.00 179.45 178.80 1rz0 h ILE 60 N 0.19 1.34 -0.98 1.86 2.04 -1.76 -1.21 117.51 118.98 1rz0 h ILE 60 Ca 0.16 -1.85 0.02 0.00 1.00 0.00 0.00 64.86 64.20 1rz0 h ILE 60 Cb 0.18 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 1rz0 h ILE 60 CO -0.21 0.57 0.65 1.56 0.00 0.00 0.00 178.15 180.71 1rz0 h GLN 61 N 0.36 1.25 0.00 2.37 4.20 -1.00 0.46 115.11 122.75 1rz0 h GLN 61 Ca 0.00 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1rz0 h GLN 61 Cb 1.10 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1rz0 h GLN 61 CO 0.10 0.83 -0.05 1.96 -0.67 0.00 0.00 178.83 181.00 1rz0 h GLN 62 N 1.29 0.03 0.00 1.46 4.20 -1.15 -3.35 115.11 117.59 1rz0 h GLN 62 Ca 0.37 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.96 1rz0 h GLN 62 Cb -0.08 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1rz0 h GLN 62 CO -0.10 0.88 -0.44 0.66 -0.67 0.00 0.00 178.83 179.17 1rz0 h SER 63 N -0.81 0.00 -3.30 1.46 4.64 -1.15 -3.47 113.55 110.92 1rz0 h SER 63 Ca -0.01 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.00 1rz0 h SER 63 Cb 0.90 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 1rz0 h SER 63 CO 0.01 0.44 -0.39 0.29 -0.87 0.00 0.00 176.83 176.31 1rz0 n LYS 64 N -3.67 -1.96 -3.72 4.77 4.76 0.16 -4.96 118.16 113.54 1rz0 n LYS 64 Ca -0.01 0.77 -0.10 0.00 -2.87 0.00 0.00 58.31 56.10 1rz0 n LYS 64 Cb 0.52 -5.36 -0.06 0.00 -1.84 0.00 0.00 35.03 28.30 1rz0 n LYS 64 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1rz0 s LYS 65 N -4.86 0.98 -0.08 1.97 -2.85 -1.26 -0.91 119.74 112.73 1rz0 s LYS 65 Ca 0.00 -0.81 -0.30 0.00 -1.00 0.00 0.00 55.97 53.86 1rz0 s LYS 65 Cb 0.00 0.42 0.10 0.00 -2.06 0.00 0.00 37.83 36.29 1rz0 s LYS 65 CO 0.00 -0.36 0.83 1.52 0.10 0.00 0.00 175.35 177.44 1rz0 s TYR 66 N -3.83 -0.50 0.04 1.78 -0.85 -0.69 -4.79 117.35 108.51 1rz0 s TYR 66 Ca 0.04 0.80 0.05 0.00 -0.52 0.00 0.00 57.07 57.44 1rz0 s TYR 66 Cb 0.03 0.44 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1rz0 s TYR 66 CO -0.12 -0.50 -0.11 0.00 -1.52 0.00 0.00 175.55 173.30 1rz0 s ALA 67 N -1.43 2.85 -0.24 9.51 0.00 -0.18 -0.51 121.76 131.76 1rz0 s ALA 67 Ca -0.05 -1.13 -0.06 0.00 0.00 0.00 0.00 51.96 50.72 1rz0 s ALA 67 Cb -0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 1rz0 s ALA 67 CO 0.04 0.61 0.03 0.08 0.00 0.00 0.00 175.76 176.51 1rz0 s VAL 68 N -1.02 3.92 -0.41 0.00 1.01 0.22 -1.01 120.40 123.11 1rz0 s VAL 68 Ca 0.17 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1rz0 s VAL 68 Cb -0.11 -2.82 0.08 0.00 0.00 0.00 0.00 36.38 33.53 1rz0 s VAL 68 CO 0.08 0.36 0.23 0.20 0.00 0.00 0.00 175.10 175.97 1rz0 s ASN 69 N 1.56 5.54 -0.02 3.32 0.01 0.47 -1.73 114.94 124.08 1rz0 s ASN 69 Ca 0.06 -1.52 -0.30 0.00 -0.71 0.00 0.00 52.86 50.39 1rz0 s ASN 69 Cb -0.15 -1.95 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 1rz0 s ASN 69 CO 0.01 -0.51 1.15 -0.63 -1.51 0.00 0.00 177.10 175.61 1rz0 s ILE 70 N 1.38 4.33 0.06 0.60 1.01 -0.19 -0.38 121.20 128.02 1rz0 s ILE 70 Ca 0.03 1.66 -0.22 0.00 0.00 0.00 0.00 60.65 62.12 1rz0 s ILE 70 Cb -0.23 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 1rz0 s ILE 70 CO 0.01 0.05 0.65 -0.76 0.00 0.00 0.00 174.94 174.89 1rz0 s LEU 71 N 1.74 4.49 0.74 2.97 1.43 0.30 0.05 118.68 130.40 1rz0 s LEU 71 Ca 0.55 1.33 -0.11 0.00 -1.03 0.00 0.00 54.13 54.87 1rz0 s LEU 71 Cb -0.25 -3.03 0.03 0.00 0.03 0.00 0.00 46.19 42.97 1rz0 s LEU 71 CO 0.24 0.16 1.09 -0.94 0.23 0.00 0.00 176.35 177.13 1rz0 s SER 72 N -0.64 5.07 0.58 2.29 1.04 -1.26 -1.95 113.70 118.82 1rz0 s SER 72 Ca 0.32 1.31 0.34 0.00 0.48 0.00 0.00 55.95 58.40 1rz0 s SER 72 Cb -0.20 -2.11 1.39 0.00 0.10 0.00 0.00 66.02 65.20 1rz0 s SER 72 CO 0.20 -1.60 1.66 -0.61 0.98 0.00 0.00 173.24 173.87 1rz0 h GLN 73 N -0.83 0.00 -0.22 4.02 4.15 -0.61 -2.08 115.11 119.53 1rz0 h GLN 73 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1rz0 h GLN 73 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1rz0 h GLN 73 CO 0.61 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.26 1rz0 n ASP 74 N -3.75 1.59 -0.48 -0.69 8.00 -1.26 -4.41 116.55 115.56 1rz0 n ASP 74 Ca 0.23 -1.80 0.07 0.00 0.71 0.00 0.00 54.79 53.99 1rz0 n ASP 74 Cb 1.27 -0.14 0.17 0.00 -0.02 0.00 0.00 41.12 42.40 1rz0 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rz0 n GLN 75 N 0.30 1.38 -0.32 -1.24 6.02 -0.78 -4.72 117.38 118.02 1rz0 n GLN 75 Ca 0.14 -2.97 -0.03 0.00 -0.01 0.00 0.00 57.00 54.13 1rz0 n GLN 75 Cb 0.29 -1.48 0.09 0.00 1.02 0.00 0.00 30.24 30.16 1rz0 n GLN 75 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1rz0 h LYS 76 N 0.66 1.13 -0.88 -1.09 3.64 -1.77 -1.96 116.57 116.30 1rz0 h LYS 76 Ca -0.01 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1rz0 h LYS 76 Cb 1.05 -0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 32.57 1rz0 h LYS 76 CO 0.00 0.75 0.58 0.28 -2.27 0.00 0.00 179.45 178.79 1rz0 h VAL 77 N 1.16 1.18 -0.90 2.00 2.07 -1.96 -2.06 116.25 117.74 1rz0 h VAL 77 Ca 0.32 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1rz0 h VAL 77 Cb -0.11 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.55 1rz0 h VAL 77 CO -0.08 0.21 0.54 -0.07 0.02 0.00 0.00 177.57 178.19 1rz0 h LEU 78 N 1.15 1.08 -0.57 2.57 3.38 -1.75 0.13 115.31 121.30 1rz0 h LEU 78 Ca 0.34 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1rz0 h LEU 78 Cb -0.06 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.42 1rz0 h LEU 78 CO -0.10 0.83 0.00 -0.24 0.09 0.00 0.00 178.44 179.02 1rz0 n SER 79 N -4.36 0.00 0.00 -0.43 2.88 -0.77 -1.24 113.62 109.70 1rz0 n SER 79 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1rz0 n SER 79 Cb 0.06 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1rz0 n SER 79 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1rz0 n ASN 81 N 0.06 0.00 0.00 -3.46 5.15 0.45 -1.90 115.26 115.56 1rz0 n ASN 81 Ca 0.00 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.08 1rz0 n ASN 81 Cb 0.00 0.00 0.62 0.00 -0.53 0.00 0.00 39.78 39.87 1rz0 n ASN 81 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1rz0 n PHE 82 N 0.00 0.00 -0.08 1.20 3.72 -0.37 -2.21 117.46 119.72 1rz0 n PHE 82 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1rz0 n PHE 82 Cb 0.00 0.00 0.25 0.00 -0.94 0.00 0.00 39.48 38.79 1rz0 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rz0 n ALA 83 N -0.92 2.36 -2.03 4.37 0.00 -0.80 -0.59 120.51 122.91 1rz0 n ALA 83 Ca 0.16 -1.15 -0.11 0.00 0.00 0.00 0.00 53.44 52.34 1rz0 n ALA 83 Cb 0.07 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 1rz0 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rz0 n GLY 84 N 1.39 0.17 0.51 0.00 0.00 -0.94 -4.92 105.19 101.41 1rz0 n GLY 84 Ca 0.20 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.87 1rz0 n GLY 84 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rz0 n GLN 85 N -2.16 1.39 -4.16 1.61 6.02 -1.26 -4.91 117.38 113.91 1rz0 n GLN 85 Ca -0.12 -1.04 -0.32 0.00 -0.01 0.00 0.00 57.00 55.50 1rz0 n GLN 85 Cb 0.55 -1.43 -0.08 0.00 1.02 0.00 0.00 30.24 30.30 1rz0 n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1rz0 s LEU 86 N -2.33 3.70 0.12 1.08 1.43 -1.26 -4.97 118.68 116.44 1rz0 s LEU 86 Ca 0.18 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.19 1rz0 s LEU 86 Cb 0.17 -2.21 -0.08 0.00 0.03 0.00 0.00 46.19 44.11 1rz0 s LEU 86 CO 0.51 0.25 1.43 -0.33 0.23 0.00 0.00 176.35 178.44 1rz0 h GLU 87 N 3.99 0.84 -4.74 1.70 4.39 -2.00 -3.41 114.58 115.36 1rz0 h GLU 87 Ca -0.48 -0.49 -0.68 0.00 0.34 0.00 0.00 59.36 58.05 1rz0 h GLU 87 Cb 1.18 0.04 -0.33 0.00 -0.10 0.00 0.00 28.75 29.53 1rz0 h GLU 87 CO 0.61 1.12 -0.69 0.21 -1.16 0.00 0.00 179.01 179.10 1rz0 s LYS 88 N -4.26 2.35 0.34 2.33 2.47 -1.26 -5.10 119.74 116.60 1rz0 s LYS 88 Ca -0.11 -1.34 -0.26 0.00 -1.56 0.00 0.00 55.97 52.69 1rz0 s LYS 88 Cb 0.10 -3.21 -0.13 0.00 -1.46 0.00 0.00 37.83 33.12 1rz0 s LYS 88 CO 0.87 -0.67 0.93 -2.30 0.16 0.00 0.00 175.35 174.34 1rz0 n PRO 89 N 4.60 1.21 -2.12 4.03 -0.02 -1.26 -4.94 135.00 136.49 1rz0 n PRO 89 Ca -0.12 0.43 -0.33 0.00 -2.02 0.00 0.00 63.50 61.47 1rz0 n PRO 89 Cb 0.43 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1rz0 n PRO 89 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1rz0 s VAL 90 N -1.16 3.97 -0.62 -1.45 -7.23 -1.26 -4.97 120.40 107.67 1rz0 s VAL 90 Ca 0.60 0.93 -0.28 0.00 -1.81 0.00 0.00 61.98 61.43 1rz0 s VAL 90 Cb -0.66 -3.46 0.03 0.00 0.56 0.00 0.00 36.38 32.85 1rz0 s VAL 90 CO 0.59 -0.55 1.24 -0.62 -0.31 0.00 0.00 175.10 175.45 1rz0 s ASP 91 N -2.86 6.34 -0.00 4.85 2.15 -1.26 -4.99 116.67 120.90 1rz0 s ASP 91 Ca 0.63 -0.02 -0.18 0.00 0.43 0.00 0.00 52.55 53.40 1rz0 s ASP 91 Cb -0.15 -2.55 -0.06 0.00 -0.30 0.00 0.00 42.92 39.86 1rz0 s ASP 91 CO 0.36 -1.60 0.52 -0.69 -0.17 0.00 0.00 175.17 173.59 1rz0 s VAL 92 N 5.28 4.94 -0.47 1.11 1.01 -1.26 -5.03 120.40 125.97 1rz0 s VAL 92 Ca 0.42 1.09 -0.27 0.00 0.00 0.00 0.00 61.98 63.22 1rz0 s VAL 92 Cb -0.08 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1rz0 s VAL 92 CO 0.23 0.48 1.01 -1.10 0.00 0.00 0.00 175.10 175.72 1rz0 s GLN 93 N -0.50 3.61 -0.02 2.72 -1.52 -1.26 -5.03 119.66 117.66 1rz0 s GLN 93 Ca 0.28 0.32 -0.01 0.00 -1.95 0.00 0.00 55.36 54.00 1rz0 s GLN 93 Cb -0.18 -3.92 -0.04 0.00 -0.22 0.00 0.00 33.01 28.66 1rz0 s GLN 93 CO 0.16 -1.30 0.08 -0.06 -0.25 0.00 0.00 175.29 173.92 1rz0 s PHE 94 N 4.05 3.31 0.00 0.91 0.40 -1.26 -1.82 117.98 123.58 1rz0 s PHE 94 Ca 0.42 0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.98 1rz0 s PHE 94 Cb -0.09 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.68 1rz0 s PHE 94 CO 0.29 0.56 0.00 -0.85 0.70 0.00 0.00 175.22 175.92 1rz0 n GLU 95 N 1.28 3.11 -4.15 0.44 0.28 0.55 -4.87 120.64 117.28 1rz0 n GLU 95 Ca -0.14 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.70 1rz0 n GLU 95 Cb 0.53 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.25 1rz0 n GLU 95 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1rz0 s GLU 96 N 1.11 0.43 -0.21 3.44 2.12 -1.26 -1.25 118.70 123.08 1rz0 s GLU 96 Ca 0.00 -0.17 -0.08 0.00 0.36 0.00 0.00 54.97 55.08 1rz0 s GLU 96 Cb 0.00 -0.42 0.10 0.00 0.26 0.00 0.00 34.13 34.06 1rz0 s GLU 96 CO 0.00 0.09 0.46 -1.17 -0.54 0.00 0.00 175.26 174.10 1rz0 s LEU 97 N -0.04 -0.72 -1.57 2.70 2.96 -0.01 -4.91 118.68 117.10 1rz0 s LEU 97 Ca 0.01 1.09 -0.05 0.00 -0.22 0.00 0.00 54.13 54.96 1rz0 s LEU 97 Cb -0.03 1.52 0.01 0.00 0.50 0.00 0.00 46.19 48.18 1rz0 s LEU 97 CO -0.00 -0.23 0.59 0.61 -1.32 0.00 0.00 176.35 176.00 1rz0 n GLY 98 N 5.36 -0.52 2.64 7.98 0.00 -1.26 -1.49 105.19 117.90 1rz0 n GLY 98 Ca -0.10 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1rz0 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rz0 n GLY 99 N -1.50 0.88 3.58 -0.02 0.00 -1.26 -4.95 105.19 101.91 1rz0 n GLY 99 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1rz0 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rz0 s LEU 100 N 0.00 3.08 0.16 0.99 1.43 -0.56 -4.97 118.68 118.82 1rz0 s LEU 100 Ca 0.00 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 1rz0 s LEU 100 Cb 0.00 -1.81 -0.08 0.00 0.03 0.00 0.00 46.19 44.33 1rz0 s LEU 100 CO 0.00 0.24 1.29 -2.16 0.23 0.00 0.00 176.35 175.95 1rz0 s PRO 101 N -1.71 4.40 0.12 1.29 0.04 -1.26 -0.83 135.00 137.04 1rz0 s PRO 101 Ca 0.19 1.99 0.03 0.00 0.04 0.00 0.00 61.00 63.25 1rz0 s PRO 101 Cb -0.11 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1rz0 s PRO 101 CO 0.10 -0.26 -0.09 0.14 0.04 0.00 0.00 177.00 176.93 1rz0 s VAL 102 N 0.38 0.97 -0.20 -0.36 -7.23 -0.38 -4.67 120.40 108.92 1rz0 s VAL 102 Ca 0.58 -1.95 -0.19 0.00 -1.81 0.00 0.00 61.98 58.61 1rz0 s VAL 102 Cb -0.35 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 1rz0 s VAL 102 CO 0.35 -0.76 0.54 -0.63 -0.31 0.00 0.00 175.10 174.30 1rz0 s ILE 103 N -3.28 5.09 0.34 -0.62 1.01 -1.26 -0.33 121.20 122.15 1rz0 s ILE 103 Ca 0.13 1.01 -0.29 0.00 0.00 0.00 0.00 60.65 61.50 1rz0 s ILE 103 Cb 0.03 -3.86 -0.11 0.00 0.01 0.00 0.00 42.46 38.52 1rz0 s ILE 103 CO -0.01 0.17 1.55 1.17 0.00 0.00 0.00 174.94 177.81 1rz0 n LYS 104 N 4.82 2.71 -1.02 2.79 4.81 -0.75 -2.40 118.16 129.11 1rz0 n LYS 104 Ca -0.04 0.96 -0.01 0.00 -0.87 0.00 0.00 58.31 58.35 1rz0 n LYS 104 Cb 0.50 -2.72 -0.00 0.00 0.02 0.00 0.00 35.03 32.83 1rz0 n LYS 104 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1rz0 n ASP 105 N 1.32 -4.51 -4.68 3.14 8.00 -1.26 -4.98 116.55 113.58 1rz0 n ASP 105 Ca 0.05 0.02 -0.36 0.00 0.71 0.00 0.00 54.79 55.21 1rz0 n ASP 105 Cb 0.38 -2.07 0.09 0.00 -0.02 0.00 0.00 41.12 39.50 1rz0 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rz0 n ALA 106 N 1.01 0.40 -0.25 2.24 0.00 -1.01 -4.71 120.51 118.18 1rz0 n ALA 106 Ca -0.01 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.31 1rz0 n ALA 106 Cb 0.26 -2.23 0.13 0.00 0.00 0.00 0.00 19.45 17.61 1rz0 n ALA 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rz0 h LEU 107 N -0.06 0.55 -7.38 0.00 5.85 -0.65 -3.44 115.31 110.19 1rz0 h LEU 107 Ca -0.49 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.19 1rz0 h LEU 107 Cb 1.33 -0.06 -0.18 0.00 0.37 0.00 0.00 40.66 42.12 1rz0 h LEU 107 CO 0.49 0.33 -0.13 0.00 -0.34 0.00 0.00 178.44 178.79 1rz0 s ALA 108 N -6.06 -1.03 -0.06 1.25 0.00 -1.11 -1.39 121.76 113.36 1rz0 s ALA 108 Ca -0.13 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.33 1rz0 s ALA 108 Cb 0.18 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.48 1rz0 s ALA 108 CO 0.77 -0.36 -0.14 -0.65 0.00 0.00 0.00 175.76 175.38 1rz0 s GLN 109 N -1.77 1.78 -0.17 0.00 -0.21 0.74 -1.02 119.66 119.02 1rz0 s GLN 109 Ca -0.10 -0.48 -0.04 0.00 0.02 0.00 0.00 55.36 54.77 1rz0 s GLN 109 Cb -0.03 -1.47 0.06 0.00 1.00 0.00 0.00 33.01 32.57 1rz0 s GLN 109 CO 0.03 0.08 0.06 0.42 -2.12 0.00 0.00 175.29 173.75 1rz0 s ILE 110 N 0.50 0.21 -0.09 1.08 1.01 -0.71 -0.71 121.20 122.50 1rz0 s ILE 110 Ca -0.12 -0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 1rz0 s ILE 110 Cb -0.15 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 1rz0 s ILE 110 CO 0.04 -0.19 0.26 -0.44 0.00 0.00 0.00 174.94 174.61 1rz0 s SER 111 N 2.01 6.53 0.03 3.58 0.01 -0.00 -0.61 113.70 125.24 1rz0 s SER 111 Ca 0.01 0.63 0.01 0.00 1.31 0.00 0.00 55.95 57.92 1rz0 s SER 111 Cb -0.16 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 63.90 1rz0 s SER 111 CO -0.08 0.31 -0.05 0.00 0.41 0.00 0.00 173.24 173.83 1rz0 s GLN 113 N -1.24 3.66 0.08 0.00 -1.52 0.06 -1.71 119.66 118.99 1rz0 s GLN 113 Ca -0.10 -0.52 -0.31 0.00 -1.95 0.00 0.00 55.36 52.49 1rz0 s GLN 113 Cb -0.08 -2.91 -0.08 0.00 -0.22 0.00 0.00 33.01 29.72 1rz0 s GLN 113 CO -0.00 0.26 1.54 0.08 -0.25 0.00 0.00 175.29 176.92 1rz0 s VAL 114 N 0.32 3.14 -0.16 1.09 1.01 -0.09 -0.70 120.40 125.02 1rz0 s VAL 114 Ca -0.04 0.68 0.06 0.00 0.00 0.00 0.00 61.98 62.68 1rz0 s VAL 114 Cb -0.14 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 1rz0 s VAL 114 CO 0.03 0.02 0.19 1.33 0.00 0.00 0.00 175.10 176.67 1rz0 n VAL 115 N 4.45 0.00 -3.61 2.92 0.24 0.02 -4.90 118.33 117.44 1rz0 n VAL 115 Ca 0.14 -0.27 -0.16 0.00 -2.04 0.00 0.00 64.34 62.02 1rz0 n VAL 115 Cb 0.41 0.73 -0.07 0.00 -1.47 0.00 0.00 33.84 33.45 1rz0 n VAL 115 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1rz0 s ASN 116 N -2.01 -0.46 -0.07 -1.34 3.04 -1.16 -5.01 114.94 107.93 1rz0 s ASN 116 Ca 0.00 0.40 0.01 0.00 0.04 0.00 0.00 52.86 53.32 1rz0 s ASN 116 Cb 0.04 0.45 0.02 0.00 -1.54 0.00 0.00 41.25 40.22 1rz0 s ASN 116 CO 0.24 -0.57 -0.08 -1.61 -3.04 0.00 0.00 177.10 172.03 1rz0 s GLU 117 N -1.47 1.33 -0.11 0.43 2.02 -1.26 -1.56 118.70 118.08 1rz0 s GLU 117 Ca -0.11 -0.26 -0.01 0.00 0.02 0.00 0.00 54.97 54.61 1rz0 s GLU 117 Cb -0.02 -1.22 0.03 0.00 0.10 0.00 0.00 34.13 33.03 1rz0 s GLU 117 CO 0.06 -0.07 -0.01 0.08 0.02 0.00 0.00 175.26 175.34 1rz0 s VAL 118 N 0.96 0.58 0.26 2.63 1.01 -0.49 -4.99 120.40 120.36 1rz0 s VAL 118 Ca -0.10 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 1rz0 s VAL 118 Cb -0.15 -0.77 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 1rz0 s VAL 118 CO 0.00 0.19 1.13 -1.58 0.00 0.00 0.00 175.10 174.85 1rz0 s GLN 119 N 1.88 4.59 -0.27 2.72 0.74 -1.26 -0.20 119.66 127.86 1rz0 s GLN 119 Ca 0.04 1.84 -0.02 0.00 0.05 0.00 0.00 55.36 57.27 1rz0 s GLN 119 Cb -0.13 -3.19 0.12 0.00 1.10 0.00 0.00 33.01 30.90 1rz0 s GLN 119 CO -0.06 0.12 0.25 0.00 -0.55 0.00 0.00 175.29 175.05 1rz0 s ALA 120 N -0.91 -0.25 0.00 1.58 0.00 0.39 -4.91 121.76 117.65 1rz0 s ALA 120 Ca 0.46 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1rz0 s ALA 120 Cb -0.33 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1rz0 s ALA 120 CO 0.41 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 175.02 1rz0 n GLY 121 N 5.30 2.74 0.41 0.00 0.00 -1.26 -1.86 105.19 110.52 1rz0 n GLY 121 Ca -0.04 0.06 0.18 0.00 0.00 0.00 0.00 46.02 46.22 1rz0 n GLY 121 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1rz0 h ASP 122 N 0.00 0.00 -4.27 1.61 3.45 -1.98 -3.45 116.42 111.77 1rz0 h ASP 122 Ca 0.00 0.00 -0.32 0.00 0.43 0.00 0.00 57.03 57.14 1rz0 h ASP 122 Cb 0.00 0.00 -0.15 0.00 -0.56 0.00 0.00 39.33 38.62 1rz0 h ASP 122 CO 0.00 0.00 -0.66 -1.00 -1.57 0.00 0.00 179.24 176.01 1rz0 s HIS 123 N -4.33 1.35 -0.11 4.55 3.76 -0.78 -1.03 115.29 118.70 1rz0 s HIS 123 Ca -0.03 -0.98 0.04 0.00 -0.15 0.00 0.00 55.06 53.94 1rz0 s HIS 123 Cb 0.11 -0.77 0.00 0.00 1.11 0.00 0.00 32.58 33.03 1rz0 s HIS 123 CO 0.36 -0.15 -0.23 0.99 -0.85 0.00 0.00 174.74 174.86 1rz0 s THR 124 N -3.57 2.09 -0.18 1.30 2.01 0.12 -0.46 115.64 116.95 1rz0 s THR 124 Ca 0.26 -1.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.01 1rz0 s THR 124 Cb 0.06 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 1rz0 s THR 124 CO 0.06 0.56 0.79 -0.76 -0.69 0.00 0.00 174.62 174.58 1rz0 s LEU 125 N 0.42 4.16 -0.34 4.42 1.43 0.72 -1.30 118.68 128.18 1rz0 s LEU 125 Ca -0.17 1.09 -0.08 0.00 -1.03 0.00 0.00 54.13 53.94 1rz0 s LEU 125 Cb -0.18 -3.16 0.03 0.00 0.03 0.00 0.00 46.19 42.91 1rz0 s LEU 125 CO 0.07 -0.39 0.14 -0.36 0.23 0.00 0.00 176.35 176.05 1rz0 s PHE 126 N 2.17 3.22 -0.16 0.29 0.08 0.12 -1.39 117.98 122.32 1rz0 s PHE 126 Ca 0.36 -1.10 -0.21 0.00 0.12 0.00 0.00 56.93 56.10 1rz0 s PHE 126 Cb -0.16 -2.34 -0.03 0.00 -0.57 0.00 0.00 43.02 39.92 1rz0 s PHE 126 CO 0.11 -0.65 0.61 0.42 -0.10 0.00 0.00 175.22 175.62 1rz0 s ILE 127 N 1.49 5.06 -0.06 0.64 1.01 -0.60 -2.11 121.20 126.63 1rz0 s ILE 127 Ca 0.01 1.19 0.06 0.00 0.00 0.00 0.00 60.65 61.91 1rz0 s ILE 127 Cb -0.19 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 1rz0 s ILE 127 CO 0.04 0.17 -0.25 -0.83 0.00 0.00 0.00 174.94 174.08 1rz0 s GLY 128 N 1.02 1.29 -0.10 6.18 0.00 0.45 -0.80 107.32 115.37 1rz0 s GLY 128 Ca 0.30 -1.03 -0.21 0.00 0.00 0.00 0.00 44.72 43.78 1rz0 s GLY 128 CO 0.12 -0.59 0.60 1.85 0.00 0.00 0.00 173.10 175.07 1rz0 s GLU 129 N -0.08 4.38 -0.15 2.90 2.12 0.13 -0.13 118.70 127.87 1rz0 s GLU 129 Ca -0.06 0.67 -0.29 0.00 0.36 0.00 0.00 54.97 55.66 1rz0 s GLU 129 Cb -0.14 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 1rz0 s GLU 129 CO 0.04 0.09 0.99 0.08 -0.54 0.00 0.00 175.26 175.92 1rz0 s VAL 130 N 0.79 4.77 -0.15 3.70 1.01 -0.42 -0.76 120.40 129.35 1rz0 s VAL 130 Ca 0.32 1.97 0.16 0.00 0.00 0.00 0.00 61.98 64.43 1rz0 s VAL 130 Cb -0.16 -4.28 -0.23 0.00 0.00 0.00 0.00 36.38 31.70 1rz0 s VAL 130 CO 0.14 -0.04 0.12 0.35 0.00 0.00 0.00 175.10 175.67 1rz0 n THR 131 N 4.78 0.99 -3.73 3.92 -2.24 0.28 -4.89 114.28 113.39 1rz0 n THR 131 Ca 0.09 -0.69 -0.13 0.00 -2.27 0.00 0.00 64.05 61.05 1rz0 n THR 131 Cb 0.48 -0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 68.18 1rz0 n THR 131 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1rz0 s ASP 132 N -4.97 -0.41 0.02 3.42 1.01 -1.21 -5.02 116.67 109.50 1rz0 s ASP 132 Ca -0.08 0.77 0.03 0.00 0.71 0.00 0.00 52.55 53.97 1rz0 s ASP 132 Cb 0.06 0.79 -0.01 0.00 1.01 0.00 0.00 42.92 44.77 1rz0 s ASP 132 CO 0.72 -0.18 -0.09 -0.63 0.21 0.00 0.00 175.17 175.20 1rz0 s ILE 133 N 0.07 0.71 -0.03 0.77 1.01 -1.26 -0.82 121.20 121.65 1rz0 s ILE 133 Ca -0.01 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1rz0 s ILE 133 Cb -0.03 -0.66 0.02 0.00 0.01 0.00 0.00 42.46 41.80 1rz0 s ILE 133 CO 0.01 -0.02 -0.02 -0.75 0.00 0.00 0.00 174.94 174.16 1rz0 s LYS 134 N -0.79 0.45 0.07 2.79 2.47 0.12 -4.99 119.74 119.86 1rz0 s LYS 134 Ca -0.01 -0.03 0.08 0.00 -1.56 0.00 0.00 55.97 54.45 1rz0 s LYS 134 Cb -0.06 -0.54 -0.03 0.00 -1.46 0.00 0.00 37.83 35.74 1rz0 s LYS 134 CO 0.00 -0.06 -0.21 0.42 0.16 0.00 0.00 175.35 175.66 1rz0 s ILE 135 N 0.72 1.73 0.34 5.43 1.01 -1.26 -0.18 121.20 128.98 1rz0 s ILE 135 Ca -0.08 -1.35 0.03 0.00 0.00 0.00 0.00 60.65 59.26 1rz0 s ILE 135 Cb -0.11 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 1rz0 s ILE 135 CO -0.01 0.11 0.08 0.42 0.00 0.00 0.00 174.94 175.55 1rz0 s THR 136 N -0.94 0.97 -0.45 2.92 -4.23 -0.49 -5.00 115.64 108.42 1rz0 s THR 136 Ca 0.07 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.62 1rz0 s THR 136 Cb -0.09 -2.66 0.65 0.00 1.34 0.00 0.00 72.50 71.73 1rz0 s THR 136 CO 0.03 0.00 1.90 -0.62 -0.54 0.00 0.00 174.62 175.38 1rz0 n GLU 137 N -0.72 2.25 -1.71 3.99 -0.58 -1.26 -4.87 120.64 117.74 1rz0 n GLU 137 Ca -0.03 -3.04 -0.31 0.00 -0.42 0.00 0.00 57.16 53.36 1rz0 n GLU 137 Cb 0.66 -2.16 0.03 0.00 -0.57 0.00 0.00 31.44 29.40 1rz0 n GLU 137 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1rz0 s GLN 138 N -3.33 3.17 0.30 3.49 -0.21 -1.26 -5.04 119.66 116.78 1rz0 s GLN 138 Ca 0.57 0.92 -0.27 0.00 0.02 0.00 0.00 55.36 56.59 1rz0 s GLN 138 Cb 0.48 -2.02 -0.10 0.00 1.00 0.00 0.00 33.01 32.37 1rz0 s GLN 138 CO 0.10 -0.91 0.95 -0.51 -2.12 0.00 0.00 175.29 172.79 1rz0 s ASP 139 N -3.81 7.41 0.29 5.90 1.01 -1.26 -4.97 116.67 121.24 1rz0 s ASP 139 Ca 0.58 1.88 -0.15 0.00 0.71 0.00 0.00 52.55 55.56 1rz0 s ASP 139 Cb -0.13 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.12 1rz0 s ASP 139 CO 0.53 -0.02 0.71 -2.16 0.21 0.00 0.00 175.17 174.44 1rz0 s PRO 140 N -1.83 4.03 0.11 8.23 0.04 -1.26 -0.08 135.00 144.25 1rz0 s PRO 140 Ca 0.48 0.67 -0.31 0.00 0.04 0.00 0.00 61.00 61.88 1rz0 s PRO 140 Cb -0.21 -2.55 -0.07 0.00 0.04 0.00 0.00 34.50 31.71 1rz0 s PRO 140 CO 0.26 0.23 1.28 -1.17 0.04 0.00 0.00 177.00 177.64 1rz0 s LEU 141 N -2.74 4.39 0.22 -3.56 2.96 -0.82 -3.96 118.68 115.16 1rz0 s LEU 141 Ca 0.51 2.20 0.09 0.00 -0.22 0.00 0.00 54.13 56.71 1rz0 s LEU 141 Cb -0.12 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1rz0 s LEU 141 CO 0.18 -0.53 -0.08 -0.76 -1.32 0.00 0.00 176.35 173.84 1rz0 s LEU 142 N 0.79 2.99 -0.04 -0.68 1.43 -0.39 -3.04 118.68 119.74 1rz0 s LEU 142 Ca 0.60 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1rz0 s LEU 142 Cb -0.33 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.30 1rz0 s LEU 142 CO 0.31 0.07 -0.01 0.12 0.23 0.00 0.00 176.35 177.07 1rz0 s PHE 143 N -1.97 0.46 -0.23 0.29 5.36 0.31 -0.87 117.98 121.34 1rz0 s PHE 143 Ca 0.27 -0.06 -0.16 0.00 -0.96 0.00 0.00 56.93 56.02 1rz0 s PHE 143 Cb -0.08 -0.54 0.07 0.00 -0.34 0.00 0.00 43.02 42.13 1rz0 s PHE 143 CO 0.16 -0.18 0.57 0.12 -1.46 0.00 0.00 175.22 174.44 1rz0 s PHE 144 N 1.22 -0.79 -1.55 10.12 5.36 -0.45 -1.44 117.98 130.46 1rz0 s PHE 144 Ca -0.07 1.70 -0.14 0.00 -0.96 0.00 0.00 56.93 57.46 1rz0 s PHE 144 Cb -0.13 0.39 0.10 0.00 -0.34 0.00 0.00 43.02 43.03 1rz0 s PHE 144 CO -0.02 -0.40 0.88 0.43 -1.46 0.00 0.00 175.22 174.66 1rz0 n SER 145 N 3.75 -4.48 0.00 6.13 7.64 0.19 -1.71 113.62 125.16 1rz0 n SER 145 Ca -0.19 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 58.93 1rz0 n SER 145 Cb 0.57 -3.60 0.00 0.00 -1.01 0.00 0.00 64.21 60.17 1rz0 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rz0 n GLY 146 N -1.57 0.58 3.22 0.23 0.00 -1.26 -5.02 105.19 101.37 1rz0 n GLY 146 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 1rz0 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rz0 s LYS 147 N -0.16 0.97 0.36 1.61 1.02 -0.69 -5.14 119.74 117.71 1rz0 s LYS 147 Ca 0.00 -1.15 -0.26 0.00 0.02 0.00 0.00 55.97 54.58 1rz0 s LYS 147 Cb 0.00 -0.92 -0.09 0.00 -0.52 0.00 0.00 37.83 36.30 1rz0 s LYS 147 CO 0.00 0.19 1.11 0.71 -0.92 0.00 0.00 175.35 176.43 1rz0 s TYR 148 N -1.82 3.30 0.22 3.18 2.02 -1.26 -1.34 117.35 121.65 1rz0 s TYR 148 Ca 0.06 1.63 -0.06 0.00 -0.37 0.00 0.00 57.07 58.32 1rz0 s TYR 148 Cb -0.07 -3.27 -0.02 0.00 -0.40 0.00 0.00 41.96 38.20 1rz0 s TYR 148 CO 0.03 -0.84 0.28 -1.01 -1.57 0.00 0.00 175.55 172.43 1rz0 s HIS 149 N -1.41 0.82 0.21 2.71 3.76 -0.05 -4.92 115.29 116.40 1rz0 s HIS 149 Ca 0.53 -1.10 0.08 0.00 -0.15 0.00 0.00 55.06 54.42 1rz0 s HIS 149 Cb -0.28 -0.24 -0.05 0.00 1.11 0.00 0.00 32.58 33.12 1rz0 s HIS 149 CO 0.36 -0.79 -0.16 -0.65 -0.85 0.00 0.00 174.74 172.65 1rz0 s GLN 150 N -4.10 1.35 0.39 1.40 -0.21 -1.26 -1.26 119.66 115.98 1rz0 s GLN 150 Ca 0.32 -1.58 -0.26 0.00 0.02 0.00 0.00 55.36 53.86 1rz0 s GLN 150 Cb 0.04 -1.22 -0.09 0.00 1.00 0.00 0.00 33.01 32.74 1rz0 s GLN 150 CO 0.11 0.21 1.24 -0.51 -2.12 0.00 0.00 175.29 174.22 1rz0 s LEU 151 N -3.24 4.24 0.23 2.90 1.43 -1.26 -4.98 118.68 118.00 1rz0 s LEU 151 Ca 0.22 2.51 -0.31 0.00 -1.03 0.00 0.00 54.13 55.52 1rz0 s LEU 151 Cb -0.02 -3.91 -0.10 0.00 0.03 0.00 0.00 46.19 42.18 1rz0 s LEU 151 CO 0.08 -0.71 1.53 0.00 0.23 0.00 0.00 176.35 177.47 1rz0 s ALA 152 N -1.31 3.72 -2.70 4.21 0.00 -1.26 -5.11 121.76 119.31 1rz0 s ALA 152 Ca 0.55 1.41 0.22 0.00 0.00 0.00 0.00 51.96 54.14 1rz0 s ALA 152 Cb -0.35 -3.60 0.17 0.00 0.00 0.00 0.00 23.12 19.34 1rz0 s ALA 152 CO 0.45 -0.81 1.18 1.04 0.00 0.00 0.00 175.76 177.61