#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 0.70 -0.45 1.67 3.45 -2.05 -2.73 116.42 117.01 1rz0 h ASP 3 Ca 0.00 0.04 -0.04 0.00 0.43 0.00 0.00 57.03 57.46 1rz0 h ASP 3 Cb 0.00 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.65 1rz0 h ASP 3 CO 0.00 0.37 0.14 -0.09 -1.57 0.00 0.00 179.24 178.10 1rz0 h ARG 4 N 0.75 0.70 -0.48 3.56 2.43 -2.05 -0.66 114.38 118.64 1rz0 h ARG 4 Ca 0.44 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 1rz0 h ARG 4 Cb 0.63 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1rz0 h ARG 4 CO -0.20 0.67 0.07 1.25 -1.51 0.00 0.00 179.97 180.25 1rz0 h LEU 5 N 0.59 0.77 0.12 3.80 5.85 -1.97 -0.72 115.31 123.75 1rz0 h LEU 5 Ca 0.15 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1rz0 h LEU 5 Cb 0.26 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1rz0 h LEU 5 CO -0.00 0.84 -0.21 0.15 -0.34 0.00 0.00 178.44 178.87 1rz0 h PHE 6 N 0.67 -0.56 -0.86 1.25 3.57 -1.30 -1.24 116.94 118.48 1rz0 h PHE 6 Ca 0.14 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1rz0 h PHE 6 Cb 0.40 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1rz0 h PHE 6 CO 0.03 -0.30 0.47 0.00 -2.23 0.00 0.00 178.31 176.28 1rz0 h ARG 7 N -0.40 1.20 -0.54 1.11 3.08 -0.97 -2.12 114.38 115.73 1rz0 h ARG 7 Ca 0.03 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.95 1rz0 h ARG 7 Cb 0.42 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1rz0 h ARG 7 CO -0.11 0.88 0.35 -0.91 -1.07 0.00 0.00 179.97 179.11 1rz0 h ASN 8 N 1.20 0.60 0.00 7.04 2.35 -1.03 -0.88 115.58 124.86 1rz0 h ASN 8 Ca 0.30 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1rz0 h ASN 8 Cb 0.03 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1rz0 h ASN 8 CO -0.05 0.43 0.00 0.00 -1.65 0.00 0.00 177.43 176.17 1rz0 n ALA 9 N -2.25 1.18 0.00 -0.83 0.00 -0.48 -2.71 120.51 115.42 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 0.63 0.00 0.02 0.00 0.00 -0.34 -3.88 105.19 101.62 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 -3.13 1.61 4.76 -1.10 -0.22 118.16 120.11 1rz0 n LYS 12 Ca 0.00 0.17 -0.43 0.00 -2.87 0.00 0.00 58.31 55.18 1rz0 n LYS 12 Cb 0.00 -1.55 -0.07 0.00 -1.84 0.00 0.00 35.03 31.58 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 -3.03 3.05 0.41 2.13 5.36 -1.25 -4.95 117.98 119.70 1rz0 s PHE 13 Ca 0.10 -0.31 -0.25 0.00 -0.96 0.00 0.00 56.93 55.50 1rz0 s PHE 13 Cb 0.13 -3.43 -0.08 0.00 -0.34 0.00 0.00 43.02 39.29 1rz0 s PHE 13 CO 0.39 -0.96 1.26 0.00 -1.46 0.00 0.00 175.22 174.45 1rz0 s ALA 14 N 2.74 3.20 0.12 11.12 0.00 -1.26 -4.85 121.76 132.82 1rz0 s ALA 14 Ca 0.19 1.15 -0.03 0.00 0.00 0.00 0.00 51.96 53.27 1rz0 s ALA 14 Cb -0.17 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 1rz0 s ALA 14 CO 0.15 -0.76 0.09 0.95 0.00 0.00 0.00 175.76 176.19 1rz0 s THR 15 N -1.31 0.12 0.06 0.00 -4.23 -0.57 -4.99 115.64 104.72 1rz0 s THR 15 Ca 0.58 -1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 59.32 1rz0 s THR 15 Cb -0.36 -1.86 0.02 0.00 1.34 0.00 0.00 72.50 71.64 1rz0 s THR 15 CO 0.45 -0.55 0.05 0.61 -0.54 0.00 0.00 174.62 174.65 1rz0 n GLY 16 N -0.07 -2.72 2.81 3.99 0.00 -1.26 -0.22 105.19 107.71 1rz0 n GLY 16 Ca -0.08 -1.41 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.09 0.03 0.33 1.61 1.01 -1.20 -4.49 120.40 116.60 1rz0 s VAL 17 Ca 0.04 0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.24 1rz0 s VAL 17 Cb -0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 36.38 36.20 1rz0 s VAL 17 CO 0.03 0.08 -0.11 0.42 0.00 0.00 0.00 175.10 175.52 1rz0 s THR 18 N 0.78 2.29 -0.13 3.92 -4.23 -0.30 -0.24 115.64 117.74 1rz0 s THR 18 Ca -0.07 -2.24 0.01 0.00 -1.18 0.00 0.00 61.69 58.22 1rz0 s THR 18 Cb -0.10 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 1rz0 s THR 18 CO -0.02 -0.24 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.97 1rz0 s VAL 19 N -2.59 2.66 -0.14 2.29 1.01 -0.30 -1.18 120.40 122.15 1rz0 s VAL 19 Ca 0.32 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1rz0 s VAL 19 Cb 0.01 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1rz0 s VAL 19 CO 0.16 0.53 0.51 -0.63 0.00 0.00 0.00 175.10 175.68 1rz0 s ILE 20 N 0.44 5.15 0.15 2.22 -1.09 -1.26 -0.89 121.20 125.92 1rz0 s ILE 20 Ca -0.12 1.00 0.10 0.00 -2.23 0.00 0.00 60.65 59.40 1rz0 s ILE 20 Cb -0.16 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 1rz0 s ILE 20 CO 0.06 0.27 -0.24 0.42 -1.23 0.00 0.00 174.94 174.21 1rz0 s THR 21 N 0.99 2.15 0.29 2.92 -4.23 -0.41 -4.05 115.64 113.30 1rz0 s THR 21 Ca 0.26 -1.83 -0.11 0.00 -1.18 0.00 0.00 61.69 58.84 1rz0 s THR 21 Cb -0.15 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.75 1rz0 s THR 21 CO 0.11 -0.05 0.53 0.28 -0.54 0.00 0.00 174.62 174.96 1rz0 s THR 22 N -1.38 0.00 -0.05 3.99 -1.32 0.26 -0.97 115.64 116.17 1rz0 s THR 22 Ca 0.15 -1.38 0.03 0.00 -1.21 0.00 0.00 61.69 59.28 1rz0 s THR 22 Cb -0.09 -2.39 0.01 0.00 -1.51 0.00 0.00 72.50 68.52 1rz0 s THR 22 CO 0.07 0.00 -0.12 -0.70 -2.21 0.00 0.00 174.62 171.66 1rz0 s GLU 23 N -3.54 1.45 -0.24 7.08 2.12 -1.26 -0.90 118.70 123.41 1rz0 s GLU 23 Ca 0.23 -0.42 -0.03 0.00 0.36 0.00 0.00 54.97 55.11 1rz0 s GLU 23 Cb -0.02 -1.26 0.08 0.00 0.26 0.00 0.00 34.13 33.19 1rz0 s GLU 23 CO 0.12 0.11 0.08 -1.17 -0.54 0.00 0.00 175.26 173.86 1rz0 s LEU 24 N 0.37 1.14 -0.99 2.70 2.96 -0.23 -4.81 118.68 119.82 1rz0 s LEU 24 Ca -0.08 -1.10 -0.13 0.00 -0.22 0.00 0.00 54.13 52.60 1rz0 s LEU 24 Cb -0.12 -0.54 -0.00 0.00 0.50 0.00 0.00 46.19 46.02 1rz0 s LEU 24 CO 0.02 -0.37 0.73 0.59 -1.32 0.00 0.00 176.35 176.00 1rz0 n ASN 25 N 5.09 -5.70 0.00 3.68 3.02 -1.26 -2.67 115.26 117.43 1rz0 n ASN 25 Ca -0.06 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1rz0 n ASN 25 Cb 0.45 -3.34 0.00 0.00 -0.61 0.00 0.00 39.78 36.28 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 -1.70 1.91 3.72 7.41 0.00 -1.26 -5.00 105.19 110.27 1rz0 n GLY 26 Ca -0.12 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.16 3.32 -0.12 4.61 0.00 -1.09 -5.03 121.76 123.29 1rz0 s ALA 27 Ca 0.00 0.74 -0.19 0.00 0.00 0.00 0.00 51.96 52.51 1rz0 s ALA 27 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1rz0 s ALA 27 CO 0.00 -0.32 0.53 0.08 0.00 0.00 0.00 175.76 176.06 1rz0 s VAL 28 N 0.75 5.15 -0.00 0.00 1.01 -1.26 -1.06 120.40 124.98 1rz0 s VAL 28 Ca 0.55 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.67 1rz0 s VAL 28 Cb -0.27 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 1rz0 s VAL 28 CO 0.30 0.29 -0.25 -1.00 0.00 0.00 0.00 175.10 174.44 1rz0 s HIS 29 N 0.80 2.23 0.00 5.22 3.76 -0.08 -5.00 115.29 122.22 1rz0 s HIS 29 Ca 0.28 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 1rz0 s HIS 29 Cb -0.16 -1.41 0.00 0.00 1.11 0.00 0.00 32.58 32.12 1rz0 s HIS 29 CO 0.12 -0.00 0.00 0.41 -0.85 0.00 0.00 174.74 174.42 1rz0 n GLY 30 N 2.31 4.12 3.48 -2.22 0.00 -1.26 -0.58 105.19 111.05 1rz0 n GLY 30 Ca -0.16 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.66 3.74 -0.07 2.61 2.01 0.13 -4.94 115.64 117.47 1rz0 s THR 32 Ca 0.00 -0.41 -0.09 0.00 0.31 0.00 0.00 61.69 61.50 1rz0 s THR 32 Cb 0.00 -2.62 0.02 0.00 0.01 0.00 0.00 72.50 69.91 1rz0 s THR 32 CO 0.00 0.50 0.23 0.00 -0.69 0.00 0.00 174.62 174.66 1rz0 s ALA 33 N 0.31 -0.57 -0.37 7.40 0.00 -0.32 -4.87 121.76 123.34 1rz0 s ALA 33 Ca -0.05 0.55 0.05 0.00 0.00 0.00 0.00 51.96 52.51 1rz0 s ALA 33 Cb -0.14 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1rz0 s ALA 33 CO 0.03 -0.13 0.35 0.27 0.00 0.00 0.00 175.76 176.28 1rz0 n ASN 34 N 2.65 0.59 -4.20 0.00 6.94 -1.26 -1.15 115.26 118.84 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 0.58 0.71 -0.01 0.00 -2.36 0.00 0.00 39.78 38.70 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 -0.70 4.14 -2.43 -2.53 0.00 -1.26 -4.92 120.51 112.81 1rz0 n ALA 35 Ca 0.02 -3.76 -0.23 0.00 0.00 0.00 0.00 53.44 49.47 1rz0 n ALA 35 Cb 0.10 -3.58 -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 4.44 1.75 -0.02 0.00 5.36 -1.26 -1.98 117.98 126.27 1rz0 s PHE 36 Ca 0.53 -1.40 -0.21 0.00 -0.96 0.00 0.00 56.93 54.88 1rz0 s PHE 36 Cb 0.08 -1.00 -0.05 0.00 -0.34 0.00 0.00 43.02 41.71 1rz0 s PHE 36 CO 0.02 -0.48 0.62 0.45 -1.46 0.00 0.00 175.22 174.37 1rz0 s SER 38 N -3.52 6.97 -0.08 6.13 0.15 -1.26 -5.01 113.70 117.08 1rz0 s SER 38 Ca 0.30 1.16 -0.05 0.00 0.70 0.00 0.00 55.95 58.06 1rz0 s SER 38 Cb 0.03 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 1rz0 s SER 38 CO 0.18 0.05 -0.12 0.52 1.20 0.00 0.00 173.24 175.08 1rz0 n VAL 39 N 2.99 0.55 -3.83 4.45 0.31 -0.12 -4.93 118.33 117.76 1rz0 n VAL 39 Ca -0.06 -0.10 -0.12 0.00 -0.01 0.00 0.00 64.34 64.06 1rz0 n VAL 39 Cb 0.51 -1.64 -0.10 0.00 -0.91 0.00 0.00 33.84 31.70 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 -5.82 -0.10 -0.22 4.52 0.15 -0.73 -4.95 113.70 106.55 1rz0 s SER 40 Ca -0.12 0.06 -0.11 0.00 0.70 0.00 0.00 55.95 56.48 1rz0 s SER 40 Cb 0.05 0.30 -0.19 0.00 -1.71 0.00 0.00 66.02 64.47 1rz0 s SER 40 CO 0.16 -0.29 0.01 -0.11 1.20 0.00 0.00 173.24 174.21 1rz0 n LEU 41 N 1.93 2.32 -3.90 3.45 7.94 -1.26 -1.18 117.00 126.29 1rz0 n LEU 41 Ca -0.19 0.23 -0.30 0.00 -1.11 0.00 0.00 56.01 54.63 1rz0 n LEU 41 Cb 0.57 -0.96 -0.15 0.00 0.53 0.00 0.00 43.42 43.41 1rz0 n LEU 41 CO 0.20 0.64 -0.37 0.20 -1.11 0.00 0.00 177.39 176.95 1rz0 s ASN 42 N -7.00 4.14 0.98 1.96 0.01 -1.26 -2.29 114.94 111.48 1rz0 s ASN 42 Ca -0.31 -1.57 -0.14 0.00 -0.71 0.00 0.00 52.86 50.13 1rz0 s ASN 42 Cb 0.09 -1.21 0.18 0.00 0.41 0.00 0.00 41.25 40.73 1rz0 s ASN 42 CO 0.61 -0.33 1.16 -2.16 -1.51 0.00 0.00 177.10 174.88 1rz0 s PRO 43 N 1.33 0.54 -0.58 -0.60 0.04 -1.26 -5.05 135.00 129.41 1rz0 s PRO 43 Ca 0.03 0.11 -0.28 0.00 0.04 0.00 0.00 61.00 60.90 1rz0 s PRO 43 Cb -0.18 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1rz0 s PRO 43 CO -0.12 -2.57 1.44 0.15 0.04 0.00 0.00 177.00 175.95 1rz0 s LYS 44 N -5.39 3.23 0.08 4.56 1.02 -0.97 -4.52 119.74 117.74 1rz0 s LYS 44 Ca 0.67 0.40 0.06 0.00 0.02 0.00 0.00 55.97 57.12 1rz0 s LYS 44 Cb -0.12 -4.16 -0.03 0.00 -0.52 0.00 0.00 37.83 33.00 1rz0 s LYS 44 CO 0.54 -2.03 -0.17 -0.51 -0.92 0.00 0.00 175.35 172.26 1rz0 s LEU 45 N 6.30 2.28 0.21 3.17 1.43 -0.32 -1.27 118.68 130.49 1rz0 s LEU 45 Ca 0.52 -0.63 -0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1rz0 s LEU 45 Cb -0.11 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 1rz0 s LEU 45 CO 0.23 -0.02 0.11 0.54 0.23 0.00 0.00 176.35 177.45 1rz0 s VAL 46 N -1.20 0.20 -0.11 -1.59 0.11 0.20 -0.94 120.40 117.06 1rz0 s VAL 46 Ca 0.01 -2.00 -0.12 0.00 -2.93 0.00 0.00 61.98 56.95 1rz0 s VAL 46 Cb -0.10 -2.51 0.03 0.00 -1.53 0.00 0.00 36.38 32.27 1rz0 s VAL 46 CO 0.03 -0.03 0.34 -0.22 -3.33 0.00 0.00 175.10 171.88 1rz0 s LEU 47 N -3.20 0.72 0.08 2.54 0.20 -1.26 -0.85 118.68 116.90 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 1.18 -0.03 0.00 -0.43 0.00 0.00 46.19 46.98 1rz0 s LEU 47 CO 0.12 -0.16 -0.17 0.54 -0.29 0.00 0.00 176.35 176.40 1rz0 s VAL 48 N 0.01 1.32 -0.19 1.68 0.11 -0.77 -4.37 120.40 118.18 1rz0 s VAL 48 Ca -0.02 -1.38 -0.00 0.00 -2.93 0.00 0.00 61.98 57.65 1rz0 s VAL 48 Cb -0.03 -1.24 0.02 0.00 -1.53 0.00 0.00 36.38 33.60 1rz0 s VAL 48 CO 0.01 -0.16 -0.16 -0.55 -3.33 0.00 0.00 175.10 170.90 1rz0 s SER 49 N -1.79 3.44 -0.09 3.54 0.15 -0.84 -0.50 113.70 117.62 1rz0 s SER 49 Ca 0.01 -0.62 0.04 0.00 0.70 0.00 0.00 55.95 56.08 1rz0 s SER 49 Cb -0.10 -1.54 -0.01 0.00 -1.71 0.00 0.00 66.02 62.66 1rz0 s SER 49 CO 0.03 -0.01 -0.23 -0.63 1.20 0.00 0.00 173.24 173.60 1rz0 s ILE 50 N 1.32 2.20 0.62 6.45 1.01 -0.19 -4.80 121.20 127.81 1rz0 s ILE 50 Ca 0.05 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.53 1rz0 s ILE 50 Cb -0.14 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 1rz0 s ILE 50 CO -0.11 0.56 1.22 -0.83 0.00 0.00 0.00 174.94 175.79 1rz0 s GLY 51 N 0.16 2.71 0.54 6.18 0.00 -1.26 -0.69 107.32 114.95 1rz0 s GLY 51 Ca -0.13 1.03 0.32 0.00 0.00 0.00 0.00 44.72 45.94 1rz0 s GLY 51 CO 0.07 1.43 2.00 1.05 0.00 0.00 0.00 173.10 177.65 1rz0 h GLU 52 N 0.67 0.00 -0.02 2.90 4.11 -1.52 -2.22 114.58 118.50 1rz0 h GLU 52 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1rz0 h GLU 52 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1rz0 h GLU 52 CO 0.54 0.07 -0.18 1.63 0.07 0.00 0.00 179.01 181.14 1rz0 n LYS 53 N -3.24 1.40 -2.73 1.06 4.01 -1.26 -4.92 118.16 112.49 1rz0 n LYS 53 Ca -0.00 -0.97 -0.42 0.00 -0.51 0.00 0.00 58.31 56.41 1rz0 n LYS 53 Cb 0.30 -1.48 -0.03 0.00 -0.51 0.00 0.00 35.03 33.30 1rz0 n LYS 53 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1rz0 s ALA 54 N -2.26 3.19 0.00 7.82 0.00 -0.84 -5.03 121.76 124.64 1rz0 s ALA 54 Ca 0.28 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1rz0 s ALA 54 Cb 0.20 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1rz0 s ALA 54 CO 0.44 -0.17 0.03 1.63 0.00 0.00 0.00 175.76 177.68 1rz0 n LYS 55 N 3.61 0.00 0.00 0.00 5.02 -1.26 -4.30 118.16 121.23 1rz0 n LYS 55 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1rz0 n LYS 55 Cb 0.51 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 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 1.79 0.00 -0.00 -0.35 0.00 -1.26 -3.11 117.00 114.07 1rz0 n LEU 57 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 56.01 56.02 1rz0 n LEU 57 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 43.42 43.74 1rz0 n LEU 57 CO 0.01 0.00 0.98 1.05 0.00 0.00 0.00 177.39 179.43 1rz0 h GLU 58 N 0.00 0.53 -0.45 1.96 9.09 -1.96 -1.24 114.58 122.51 1rz0 h GLU 58 Ca 0.00 -0.10 0.04 0.00 0.05 0.00 0.00 59.36 59.36 1rz0 h GLU 58 Cb 0.00 -0.09 -0.04 0.00 -1.65 0.00 0.00 28.75 26.97 1rz0 h GLU 58 CO 0.00 0.52 0.21 0.87 0.05 0.00 0.00 179.01 180.66 1rz0 h LYS 59 N 0.52 0.40 -0.23 1.06 1.79 -1.90 -0.69 116.57 117.52 1rz0 h LYS 59 Ca 0.12 -0.02 -0.18 0.00 -2.18 0.00 0.00 60.65 58.38 1rz0 h LYS 59 Cb 0.25 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1rz0 h LYS 59 CO 0.00 0.27 -0.58 0.82 -1.08 0.00 0.00 179.45 178.88 1rz0 h ILE 60 N 0.42 1.30 -0.86 1.86 2.04 -1.78 -1.43 117.51 119.04 1rz0 h ILE 60 Ca 0.20 -1.80 0.09 0.00 1.00 0.00 0.00 64.86 64.35 1rz0 h ILE 60 Cb 0.13 1.73 -0.07 0.00 -0.74 0.00 0.00 36.82 37.87 1rz0 h ILE 60 CO -0.16 0.57 0.51 1.56 0.00 0.00 0.00 178.15 180.64 1rz0 h GLN 61 N 0.55 0.84 0.00 2.37 4.20 -0.89 0.32 115.11 122.51 1rz0 h GLN 61 Ca 0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1rz0 h GLN 61 Cb 1.16 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1rz0 h GLN 61 CO 0.12 0.56 -0.04 1.96 -0.67 0.00 0.00 178.83 180.76 1rz0 h GLN 62 N 0.87 0.02 0.00 1.46 4.20 -1.09 -3.34 115.11 117.24 1rz0 h GLN 62 Ca 0.41 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.99 1rz0 h GLN 62 Cb 0.34 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1rz0 h GLN 62 CO -0.23 0.84 -0.48 0.66 -0.67 0.00 0.00 178.83 178.95 1rz0 h SER 63 N -0.79 0.00 -3.66 1.46 4.64 -1.21 -3.47 113.55 110.52 1rz0 h SER 63 Ca -0.01 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 1rz0 h SER 63 Cb 0.86 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1rz0 h SER 63 CO 0.01 0.48 -0.49 0.29 -0.87 0.00 0.00 176.83 176.24 1rz0 n LYS 64 N -3.85 -2.53 -3.55 4.77 4.76 0.11 -4.97 118.16 112.90 1rz0 n LYS 64 Ca -0.01 0.85 -0.12 0.00 -2.87 0.00 0.00 58.31 56.16 1rz0 n LYS 64 Cb 0.51 -5.54 -0.04 0.00 -1.84 0.00 0.00 35.03 28.13 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 -5.23 1.13 -0.02 1.97 -2.85 -1.26 -1.29 119.74 112.19 1rz0 s LYS 65 Ca 0.08 -0.52 -0.29 0.00 -1.00 0.00 0.00 55.97 54.24 1rz0 s LYS 65 Cb -0.04 0.51 0.09 0.00 -2.06 0.00 0.00 37.83 36.33 1rz0 s LYS 65 CO 0.10 -0.45 0.77 1.52 0.10 0.00 0.00 175.35 177.39 1rz0 s TYR 66 N -3.47 -0.51 0.03 1.78 -0.85 -0.78 -4.78 117.35 108.76 1rz0 s TYR 66 Ca 0.00 0.69 0.06 0.00 -0.52 0.00 0.00 57.07 57.30 1rz0 s TYR 66 Cb 0.00 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.79 1rz0 s TYR 66 CO -0.10 -0.59 -0.16 0.00 -1.52 0.00 0.00 175.55 173.18 1rz0 s ALA 67 N -2.05 2.65 -0.26 9.51 0.00 -0.15 -0.30 121.76 131.17 1rz0 s ALA 67 Ca -0.04 -1.15 -0.07 0.00 0.00 0.00 0.00 51.96 50.70 1rz0 s ALA 67 Cb -0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 1rz0 s ALA 67 CO -0.00 0.58 0.07 0.08 0.00 0.00 0.00 175.76 176.49 1rz0 s VAL 68 N -0.91 4.25 -0.47 0.00 1.01 0.55 -1.28 120.40 123.55 1rz0 s VAL 68 Ca 0.15 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 1rz0 s VAL 68 Cb -0.11 -3.02 0.10 0.00 0.00 0.00 0.00 36.38 33.36 1rz0 s VAL 68 CO 0.05 0.30 0.36 0.20 0.00 0.00 0.00 175.10 176.01 1rz0 s ASN 69 N 1.60 5.84 -0.00 3.32 0.01 -0.07 -1.22 114.94 124.42 1rz0 s ASN 69 Ca 0.06 -1.69 -0.30 0.00 -0.71 0.00 0.00 52.86 50.21 1rz0 s ASN 69 Cb -0.15 -2.07 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 1rz0 s ASN 69 CO 0.03 -0.68 1.37 -0.63 -1.51 0.00 0.00 177.10 175.69 1rz0 s ILE 70 N 1.46 3.77 0.08 0.60 1.01 -0.25 -1.15 121.20 126.72 1rz0 s ILE 70 Ca 0.04 1.16 -0.23 0.00 0.00 0.00 0.00 60.65 61.61 1rz0 s ILE 70 Cb -0.26 -3.74 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 1rz0 s ILE 70 CO 0.02 0.00 0.71 -0.76 0.00 0.00 0.00 174.94 174.91 1rz0 s LEU 71 N 2.31 4.51 0.74 2.97 1.43 0.67 0.14 118.68 131.44 1rz0 s LEU 71 Ca 0.63 1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 55.05 1rz0 s LEU 71 Cb -0.31 -3.15 0.04 0.00 0.03 0.00 0.00 46.19 42.80 1rz0 s LEU 71 CO 0.26 0.14 1.12 -0.94 0.23 0.00 0.00 176.35 177.16 1rz0 s SER 72 N -0.64 5.11 0.57 2.29 1.04 -1.26 -1.86 113.70 118.95 1rz0 s SER 72 Ca 0.35 0.99 0.30 0.00 0.48 0.00 0.00 55.95 58.07 1rz0 s SER 72 Cb -0.21 -1.69 1.45 0.00 0.10 0.00 0.00 66.02 65.67 1rz0 s SER 72 CO 0.23 -1.54 1.84 -0.61 0.98 0.00 0.00 173.24 174.14 1rz0 h GLN 73 N -0.79 0.00 -0.30 4.02 4.15 -0.71 -1.81 115.11 119.67 1rz0 h GLN 73 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1rz0 h GLN 73 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1rz0 h GLN 73 CO 0.64 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.29 1rz0 n ASP 74 N -3.87 1.59 -0.50 -0.69 8.00 -1.26 -4.39 116.55 115.42 1rz0 n ASP 74 Ca 0.14 -2.01 0.07 0.00 0.71 0.00 0.00 54.79 53.70 1rz0 n ASP 74 Cb 0.86 -0.20 0.17 0.00 -0.02 0.00 0.00 41.12 41.93 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 0.35 1.36 -0.22 -1.24 6.02 -0.68 -4.71 117.38 118.26 1rz0 n GLN 75 Ca 0.10 -2.96 -0.01 0.00 -0.01 0.00 0.00 57.00 54.12 1rz0 n GLN 75 Cb 0.25 -1.46 0.22 0.00 1.02 0.00 0.00 30.24 30.27 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 0.69 1.01 -0.39 -1.09 3.64 -1.78 -1.48 116.57 117.16 1rz0 h LYS 76 Ca -0.01 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 1rz0 h LYS 76 Cb 1.06 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 1rz0 h LYS 76 CO 0.01 0.71 -0.11 0.28 -2.27 0.00 0.00 179.45 178.06 1rz0 h VAL 77 N 1.03 1.25 -0.61 2.00 2.07 -1.96 -2.26 116.25 117.76 1rz0 h VAL 77 Ca 0.27 -1.12 -0.09 0.00 0.82 0.00 0.00 66.70 66.58 1rz0 h VAL 77 Cb -0.04 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1rz0 h VAL 77 CO -0.05 0.38 0.02 -0.07 0.02 0.00 0.00 177.57 177.87 1rz0 h LEU 78 N 0.63 1.04 -0.84 2.57 3.38 -1.70 0.10 115.31 120.49 1rz0 h LEU 78 Ca 0.11 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1rz0 h LEU 78 Cb 0.56 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1rz0 h LEU 78 CO 0.03 1.08 0.00 -0.24 0.09 0.00 0.00 178.44 179.40 1rz0 n SER 79 N -4.21 0.00 0.00 -0.43 2.88 -0.64 -1.27 113.62 109.96 1rz0 n SER 79 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1rz0 n SER 79 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 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 0.29 0.00 0.00 -3.46 5.15 0.36 -1.71 115.26 115.89 1rz0 n ASN 81 Ca 0.00 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.12 1rz0 n ASN 81 Cb 0.00 0.00 0.83 0.00 -0.53 0.00 0.00 39.78 40.08 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 0.45 1.20 3.72 -0.39 -2.12 117.46 120.32 1rz0 n PHE 82 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1rz0 n PHE 82 Cb 0.00 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.98 2.43 -1.68 4.37 0.00 -0.70 -0.69 120.51 123.26 1rz0 n ALA 83 Ca 0.21 -0.94 -0.02 0.00 0.00 0.00 0.00 53.44 52.69 1rz0 n ALA 83 Cb 0.10 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 1.48 0.38 0.56 0.00 0.00 -0.90 -4.94 105.19 101.78 1rz0 n GLY 84 Ca 0.18 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.86 1.44 -4.00 1.61 6.02 -1.26 -4.92 117.38 114.40 1rz0 n GLN 85 Ca -0.03 -1.26 -0.31 0.00 -0.01 0.00 0.00 57.00 55.39 1rz0 n GLN 85 Cb 0.36 -1.30 -0.06 0.00 1.02 0.00 0.00 30.24 30.26 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 -1.58 4.03 0.24 1.08 1.43 -1.26 -4.95 118.68 117.66 1rz0 s LEU 86 Ca 0.17 0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 53.33 1rz0 s LEU 86 Cb 0.13 -2.65 0.23 0.00 0.03 0.00 0.00 46.19 43.94 1rz0 s LEU 86 CO 0.27 0.18 1.83 -0.33 0.23 0.00 0.00 176.35 178.53 1rz0 h GLU 87 N 3.29 1.17 -4.07 1.70 4.39 -2.00 -3.43 114.58 115.63 1rz0 h GLU 87 Ca -0.46 -0.17 -0.36 0.00 0.34 0.00 0.00 59.36 58.70 1rz0 h GLU 87 Cb 1.16 -0.21 -0.32 0.00 -0.10 0.00 0.00 28.75 29.29 1rz0 h GLU 87 CO 0.69 0.91 -0.76 0.21 -1.16 0.00 0.00 179.01 178.90 1rz0 s LYS 88 N -5.66 0.55 0.39 2.33 2.47 -1.26 -5.13 119.74 113.43 1rz0 s LYS 88 Ca -0.12 -0.10 -0.24 0.00 -1.56 0.00 0.00 55.97 53.95 1rz0 s LYS 88 Cb 0.16 -0.58 -0.09 0.00 -1.46 0.00 0.00 37.83 35.86 1rz0 s LYS 88 CO 0.83 -0.01 1.05 -2.14 0.16 0.00 0.00 175.35 175.24 1rz0 s PRO 89 N 0.51 4.19 0.58 4.03 0.02 -1.26 -5.00 135.00 138.07 1rz0 s PRO 89 Ca -0.06 1.53 -0.18 0.00 0.02 0.00 0.00 61.00 62.31 1rz0 s PRO 89 Cb -0.09 -2.58 -0.04 0.00 0.02 0.00 0.00 34.50 31.81 1rz0 s PRO 89 CO -0.00 -0.12 1.11 0.14 -0.33 0.00 0.00 177.00 177.79 1rz0 s VAL 90 N -1.63 3.29 -0.57 3.83 -7.23 -1.26 -4.95 120.40 111.87 1rz0 s VAL 90 Ca 0.57 0.71 -0.27 0.00 -1.81 0.00 0.00 61.98 61.18 1rz0 s VAL 90 Cb -0.23 -3.24 0.03 0.00 0.56 0.00 0.00 36.38 33.50 1rz0 s VAL 90 CO 0.28 -0.26 1.13 -0.62 -0.31 0.00 0.00 175.10 175.32 1rz0 s ASP 91 N -2.15 6.42 -0.00 4.85 2.15 -1.26 -5.00 116.67 121.68 1rz0 s ASP 91 Ca 0.70 -0.02 -0.15 0.00 0.43 0.00 0.00 52.55 53.51 1rz0 s ASP 91 Cb -0.22 -2.52 -0.06 0.00 -0.30 0.00 0.00 42.92 39.83 1rz0 s ASP 91 CO 0.32 -1.42 0.43 -0.69 -0.17 0.00 0.00 175.17 173.64 1rz0 s VAL 92 N 4.69 5.02 -0.46 1.11 1.01 -1.26 -5.04 120.40 125.47 1rz0 s VAL 92 Ca 0.40 0.88 -0.24 0.00 0.00 0.00 0.00 61.98 63.01 1rz0 s VAL 92 Cb -0.09 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.59 1rz0 s VAL 92 CO 0.24 0.56 0.85 -1.10 0.00 0.00 0.00 175.10 175.64 1rz0 s GLN 93 N -0.93 3.44 -0.03 2.72 -1.52 -1.26 -5.04 119.66 117.04 1rz0 s GLN 93 Ca 0.24 -0.03 -0.03 0.00 -1.95 0.00 0.00 55.36 53.59 1rz0 s GLN 93 Cb -0.17 -3.95 -0.04 0.00 -0.22 0.00 0.00 33.01 28.64 1rz0 s GLN 93 CO 0.13 -1.19 0.14 -0.06 -0.25 0.00 0.00 175.29 174.06 1rz0 s PHE 94 N 3.50 3.47 0.00 0.91 0.40 -1.26 -1.80 117.98 123.20 1rz0 s PHE 94 Ca 0.32 0.34 0.00 0.00 -0.60 0.00 0.00 56.93 57.00 1rz0 s PHE 94 Cb -0.11 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.59 1rz0 s PHE 94 CO 0.24 0.63 0.00 -0.85 0.70 0.00 0.00 175.22 175.94 1rz0 n GLU 95 N 1.28 2.36 -4.23 0.44 0.28 0.31 -4.86 120.64 116.23 1rz0 n GLU 95 Ca -0.14 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.70 1rz0 n GLU 95 Cb 0.53 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.26 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 0.20 0.54 -0.23 3.44 2.12 -1.26 -0.76 118.70 122.75 1rz0 s GLU 96 Ca 0.00 -0.27 -0.08 0.00 0.36 0.00 0.00 54.97 54.98 1rz0 s GLU 96 Cb 0.00 -0.51 0.11 0.00 0.26 0.00 0.00 34.13 33.98 1rz0 s GLU 96 CO 0.00 0.14 0.50 -1.17 -0.54 0.00 0.00 175.26 174.19 1rz0 s LEU 97 N -0.24 -0.82 -1.67 2.70 2.96 -0.11 -4.91 118.68 116.59 1rz0 s LEU 97 Ca 0.02 1.18 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 1rz0 s LEU 97 Cb -0.03 1.68 0.00 0.00 0.50 0.00 0.00 46.19 48.34 1rz0 s LEU 97 CO -0.00 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.41 1rz0 n GLY 98 N 5.41 -0.49 1.76 7.98 0.00 -1.26 -1.51 105.19 117.08 1rz0 n GLY 98 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.98 0.74 3.52 -0.02 0.00 -1.26 -4.96 105.19 102.23 1rz0 n GLY 99 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 2.86 0.20 0.99 1.43 -0.57 -4.94 118.68 118.64 1rz0 s LEU 100 Ca 0.00 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.53 1rz0 s LEU 100 Cb 0.00 -1.65 -0.09 0.00 0.03 0.00 0.00 46.19 44.49 1rz0 s LEU 100 CO 0.00 0.28 1.34 -2.16 0.23 0.00 0.00 176.35 176.04 1rz0 s PRO 101 N -1.30 4.36 0.11 1.29 0.04 -1.26 -0.94 135.00 137.30 1rz0 s PRO 101 Ca 0.15 2.09 0.03 0.00 0.04 0.00 0.00 61.00 63.32 1rz0 s PRO 101 Cb -0.11 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1rz0 s PRO 101 CO 0.05 -0.30 -0.09 0.14 0.04 0.00 0.00 177.00 176.84 1rz0 s VAL 102 N 0.22 0.90 -0.19 -0.36 -7.23 0.06 -4.67 120.40 109.13 1rz0 s VAL 102 Ca 0.58 -1.80 -0.20 0.00 -1.81 0.00 0.00 61.98 58.75 1rz0 s VAL 102 Cb -0.37 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 1rz0 s VAL 102 CO 0.38 -0.69 0.58 -0.63 -0.31 0.00 0.00 175.10 174.42 1rz0 s ILE 103 N -2.97 5.06 0.32 -0.62 1.01 -1.26 -0.53 121.20 122.21 1rz0 s ILE 103 Ca 0.09 1.09 -0.29 0.00 0.00 0.00 0.00 60.65 61.54 1rz0 s ILE 103 Cb 0.01 -3.90 -0.12 0.00 0.01 0.00 0.00 42.46 38.45 1rz0 s ILE 103 CO -0.01 0.15 1.33 1.17 0.00 0.00 0.00 174.94 177.58 1rz0 n LYS 104 N 4.83 2.13 -0.96 2.79 4.81 -0.75 -2.66 118.16 128.36 1rz0 n LYS 104 Ca -0.03 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 1rz0 n LYS 104 Cb 0.50 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.20 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 1.11 -3.79 -4.65 3.14 8.00 -1.26 -4.98 116.55 114.11 1rz0 n ASP 105 Ca 0.06 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.20 1rz0 n ASP 105 Cb 0.35 -1.87 0.08 0.00 -0.02 0.00 0.00 41.12 39.67 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 1.00 0.20 -0.30 2.24 0.00 -1.09 -4.72 120.51 117.84 1rz0 n ALA 106 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.34 1rz0 n ALA 106 Cb 0.21 -2.18 0.17 0.00 0.00 0.00 0.00 19.45 17.64 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 -0.02 0.74 -7.32 0.00 5.85 -0.58 -3.44 115.31 110.56 1rz0 h LEU 107 Ca -0.48 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.19 1rz0 h LEU 107 Cb 1.34 -0.11 -0.19 0.00 0.37 0.00 0.00 40.66 42.07 1rz0 h LEU 107 CO 0.49 0.43 -0.09 0.00 -0.34 0.00 0.00 178.44 178.94 1rz0 s ALA 108 N -6.03 -1.15 -0.05 1.25 0.00 -1.09 -1.49 121.76 113.20 1rz0 s ALA 108 Ca -0.12 0.63 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1rz0 s ALA 108 Cb 0.19 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.45 1rz0 s ALA 108 CO 0.79 -0.35 -0.14 -0.65 0.00 0.00 0.00 175.76 175.41 1rz0 s GLN 109 N -1.59 1.72 -0.17 0.00 -0.21 0.12 -1.10 119.66 118.44 1rz0 s GLN 109 Ca -0.11 -0.50 -0.04 0.00 0.02 0.00 0.00 55.36 54.74 1rz0 s GLN 109 Cb -0.03 -1.45 0.06 0.00 1.00 0.00 0.00 33.01 32.59 1rz0 s GLN 109 CO 0.04 0.12 0.05 0.42 -2.12 0.00 0.00 175.29 173.81 1rz0 s ILE 110 N 0.37 0.27 -0.09 1.08 1.01 -0.35 -0.83 121.20 122.66 1rz0 s ILE 110 Ca -0.10 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 1rz0 s ILE 110 Cb -0.14 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 1rz0 s ILE 110 CO 0.03 -0.20 0.26 -0.44 0.00 0.00 0.00 174.94 174.59 1rz0 s SER 111 N 1.98 6.54 0.04 3.58 0.01 -0.15 -0.33 113.70 125.36 1rz0 s SER 111 Ca 0.01 0.64 0.01 0.00 1.31 0.00 0.00 55.95 57.92 1rz0 s SER 111 Cb -0.16 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 1rz0 s SER 111 CO -0.08 0.32 -0.06 0.00 0.41 0.00 0.00 173.24 173.83 1rz0 s GLN 113 N -1.87 3.54 0.13 0.00 -1.52 -0.13 -1.87 119.66 117.94 1rz0 s GLN 113 Ca -0.09 -0.58 -0.31 0.00 -1.95 0.00 0.00 55.36 52.43 1rz0 s GLN 113 Cb -0.08 -2.87 -0.10 0.00 -0.22 0.00 0.00 33.01 29.74 1rz0 s GLN 113 CO -0.01 0.14 1.76 0.08 -0.25 0.00 0.00 175.29 177.01 1rz0 s VAL 114 N 0.60 2.53 -0.15 1.09 1.01 -0.42 -0.80 120.40 124.27 1rz0 s VAL 114 Ca -0.04 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1rz0 s VAL 114 Cb -0.15 -3.10 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 1rz0 s VAL 114 CO 0.03 0.00 0.16 1.33 0.00 0.00 0.00 175.10 176.62 1rz0 n VAL 115 N 4.53 0.00 -3.58 2.92 0.24 0.27 -4.89 118.33 117.83 1rz0 n VAL 115 Ca 0.17 -0.30 -0.17 0.00 -2.04 0.00 0.00 64.34 62.00 1rz0 n VAL 115 Cb 0.38 0.79 -0.07 0.00 -1.47 0.00 0.00 33.84 33.48 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 -1.81 -0.60 -0.07 -1.34 3.04 -1.15 -5.02 114.94 107.99 1rz0 s ASN 116 Ca 0.01 0.74 0.02 0.00 0.04 0.00 0.00 52.86 53.67 1rz0 s ASN 116 Cb 0.03 0.65 0.01 0.00 -1.54 0.00 0.00 41.25 40.40 1rz0 s ASN 116 CO 0.19 -0.52 -0.14 -1.61 -3.04 0.00 0.00 177.10 171.98 1rz0 s GLU 117 N -0.95 1.85 -0.14 0.43 2.02 -1.26 -1.49 118.70 119.16 1rz0 s GLU 117 Ca -0.09 -0.47 -0.02 0.00 0.02 0.00 0.00 54.97 54.41 1rz0 s GLU 117 Cb -0.02 -1.51 0.04 0.00 0.10 0.00 0.00 34.13 32.75 1rz0 s GLU 117 CO 0.08 0.05 0.01 0.08 0.02 0.00 0.00 175.26 175.50 1rz0 s VAL 118 N 0.62 0.50 0.29 2.63 1.01 -0.34 -4.99 120.40 120.13 1rz0 s VAL 118 Ca -0.15 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1rz0 s VAL 118 Cb -0.16 -0.83 -0.10 0.00 0.00 0.00 0.00 36.38 35.29 1rz0 s VAL 118 CO 0.04 0.03 1.21 -1.58 0.00 0.00 0.00 175.10 174.80 1rz0 s GLN 119 N 1.89 4.49 -0.31 2.72 0.74 -1.26 -0.20 119.66 127.73 1rz0 s GLN 119 Ca 0.02 2.01 0.01 0.00 0.05 0.00 0.00 55.36 57.45 1rz0 s GLN 119 Cb -0.15 -3.14 0.14 0.00 1.10 0.00 0.00 33.01 30.97 1rz0 s GLN 119 CO -0.07 -0.02 0.33 0.00 -0.55 0.00 0.00 175.29 174.99 1rz0 s ALA 120 N -0.99 -0.55 0.00 1.58 0.00 0.37 -4.91 121.76 117.26 1rz0 s ALA 120 Ca 0.48 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1rz0 s ALA 120 Cb -0.36 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1rz0 s ALA 120 CO 0.46 -1.82 0.00 0.41 0.00 0.00 0.00 175.76 174.80 1rz0 n GLY 121 N 5.06 3.15 0.38 0.00 0.00 -1.26 -2.13 105.19 110.39 1rz0 n GLY 121 Ca 0.01 0.02 0.17 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 -3.99 1.61 3.45 -1.98 -3.45 116.42 112.06 1rz0 h ASP 122 Ca 0.00 0.00 -0.35 0.00 0.43 0.00 0.00 57.03 57.11 1rz0 h ASP 122 Cb 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 38.63 1rz0 h ASP 122 CO 0.00 0.00 -0.67 -1.00 -1.57 0.00 0.00 179.24 176.00 1rz0 s HIS 123 N -4.31 1.43 -0.11 4.55 3.76 -0.90 -1.24 115.29 118.47 1rz0 s HIS 123 Ca -0.03 -0.89 0.03 0.00 -0.15 0.00 0.00 55.06 54.02 1rz0 s HIS 123 Cb 0.11 -0.80 -0.00 0.00 1.11 0.00 0.00 32.58 32.99 1rz0 s HIS 123 CO 0.36 -0.03 -0.22 0.99 -0.85 0.00 0.00 174.74 175.00 1rz0 s THR 124 N -3.43 2.27 -0.21 1.30 2.01 0.14 -0.48 115.64 117.25 1rz0 s THR 124 Ca 0.25 -0.94 -0.24 0.00 0.31 0.00 0.00 61.69 61.07 1rz0 s THR 124 Cb 0.05 -1.89 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 1rz0 s THR 124 CO 0.06 0.55 0.78 -0.76 -0.69 0.00 0.00 174.62 174.56 1rz0 s LEU 125 N 0.37 4.13 -0.36 4.42 1.43 0.73 -1.03 118.68 128.36 1rz0 s LEU 125 Ca -0.17 1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 53.87 1rz0 s LEU 125 Cb -0.17 -3.13 0.03 0.00 0.03 0.00 0.00 46.19 42.95 1rz0 s LEU 125 CO 0.08 -0.42 0.18 -0.36 0.23 0.00 0.00 176.35 176.06 1rz0 s PHE 126 N 2.38 3.25 -0.20 0.29 0.08 0.35 -1.19 117.98 122.93 1rz0 s PHE 126 Ca 0.34 -1.09 -0.23 0.00 0.12 0.00 0.00 56.93 56.07 1rz0 s PHE 126 Cb -0.16 -2.40 -0.02 0.00 -0.57 0.00 0.00 43.02 39.88 1rz0 s PHE 126 CO 0.10 -0.67 0.75 0.42 -0.10 0.00 0.00 175.22 175.72 1rz0 s ILE 127 N 1.51 4.93 -0.07 0.64 1.01 -0.56 -1.86 121.20 126.81 1rz0 s ILE 127 Ca 0.01 1.43 0.05 0.00 0.00 0.00 0.00 60.65 62.14 1rz0 s ILE 127 Cb -0.19 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 1rz0 s ILE 127 CO 0.06 0.03 -0.24 -0.83 0.00 0.00 0.00 174.94 173.96 1rz0 s GLY 128 N 1.23 1.26 -0.08 6.18 0.00 -0.03 -0.56 107.32 115.32 1rz0 s GLY 128 Ca 0.33 -0.98 -0.25 0.00 0.00 0.00 0.00 44.72 43.82 1rz0 s GLY 128 CO 0.10 -0.51 0.79 1.85 0.00 0.00 0.00 173.10 175.33 1rz0 s GLU 129 N 0.02 4.42 -0.05 2.90 2.12 0.02 -0.63 118.70 127.50 1rz0 s GLU 129 Ca -0.08 1.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.97 1rz0 s GLU 129 Cb -0.15 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.72 1rz0 s GLU 129 CO 0.05 -0.07 1.15 0.08 -0.54 0.00 0.00 175.26 175.93 1rz0 s VAL 130 N 1.23 4.37 -0.11 3.70 1.01 -0.39 -0.95 120.40 129.25 1rz0 s VAL 130 Ca 0.40 1.68 0.15 0.00 0.00 0.00 0.00 61.98 64.22 1rz0 s VAL 130 Cb -0.18 -4.08 -0.22 0.00 0.00 0.00 0.00 36.38 31.90 1rz0 s VAL 130 CO 0.18 0.02 0.15 0.35 0.00 0.00 0.00 175.10 175.81 1rz0 n THR 131 N 4.49 0.74 -3.71 3.92 -2.24 0.26 -4.89 114.28 112.84 1rz0 n THR 131 Ca 0.10 -0.58 -0.14 0.00 -2.27 0.00 0.00 64.05 61.16 1rz0 n THR 131 Cb 0.47 -0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 68.24 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 -4.62 -0.40 -0.00 3.42 1.01 -1.21 -5.02 116.67 109.85 1rz0 s ASP 132 Ca -0.07 0.63 0.01 0.00 0.71 0.00 0.00 52.55 53.83 1rz0 s ASP 132 Cb 0.07 0.69 -0.00 0.00 1.01 0.00 0.00 42.92 44.68 1rz0 s ASP 132 CO 0.66 -0.28 -0.04 -0.63 0.21 0.00 0.00 175.17 175.09 1rz0 s ILE 133 N -0.37 0.28 -0.03 0.77 1.01 -1.26 -0.98 121.20 120.62 1rz0 s ILE 133 Ca -0.05 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.46 1rz0 s ILE 133 Cb -0.03 -0.24 0.01 0.00 0.01 0.00 0.00 42.46 42.21 1rz0 s ILE 133 CO 0.03 0.08 -0.07 -0.75 0.00 0.00 0.00 174.94 174.22 1rz0 s LYS 134 N -0.09 0.91 0.07 2.79 2.47 -0.01 -4.99 119.74 120.89 1rz0 s LYS 134 Ca 0.01 -0.23 0.07 0.00 -1.56 0.00 0.00 55.97 54.27 1rz0 s LYS 134 Cb -0.01 -0.86 -0.03 0.00 -1.46 0.00 0.00 37.83 35.47 1rz0 s LYS 134 CO -0.00 0.04 -0.19 0.42 0.16 0.00 0.00 175.35 175.77 1rz0 s ILE 135 N 0.45 1.57 0.34 5.43 1.01 -1.26 0.15 121.20 128.89 1rz0 s ILE 135 Ca -0.07 -1.32 0.03 0.00 0.00 0.00 0.00 60.65 59.30 1rz0 s ILE 135 Cb -0.11 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 1rz0 s ILE 135 CO 0.01 0.04 0.08 0.42 0.00 0.00 0.00 174.94 175.48 1rz0 s THR 136 N -0.99 0.98 -0.47 2.92 -4.23 -0.56 -5.00 115.64 108.30 1rz0 s THR 136 Ca 0.05 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 1rz0 s THR 136 Cb -0.09 -2.66 0.58 0.00 1.34 0.00 0.00 72.50 71.67 1rz0 s THR 136 CO 0.03 0.00 1.84 -0.62 -0.54 0.00 0.00 174.62 175.33 1rz0 n GLU 137 N -0.73 2.34 -1.66 3.99 -0.58 -1.26 -4.86 120.64 117.87 1rz0 n GLU 137 Ca -0.03 -3.16 -0.30 0.00 -0.42 0.00 0.00 57.16 53.24 1rz0 n GLU 137 Cb 0.66 -2.15 0.06 0.00 -0.57 0.00 0.00 31.44 29.44 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 -3.43 2.73 0.33 3.49 -0.21 -1.26 -5.05 119.66 116.25 1rz0 s GLN 138 Ca 0.57 0.73 -0.17 0.00 0.02 0.00 0.00 55.36 56.50 1rz0 s GLN 138 Cb 0.47 -1.98 -0.09 0.00 1.00 0.00 0.00 33.01 32.41 1rz0 s GLN 138 CO 0.06 -1.19 0.78 -0.51 -2.12 0.00 0.00 175.29 172.31 1rz0 s ASP 139 N -3.99 6.86 0.15 5.90 1.01 -1.26 -4.98 116.67 120.35 1rz0 s ASP 139 Ca 0.59 1.39 -0.10 0.00 0.71 0.00 0.00 52.55 55.13 1rz0 s ASP 139 Cb -0.13 -2.41 -0.06 0.00 1.01 0.00 0.00 42.92 41.32 1rz0 s ASP 139 CO 0.54 -0.19 0.47 -2.16 0.21 0.00 0.00 175.17 174.04 1rz0 s PRO 140 N -2.85 3.80 0.22 8.23 0.04 -1.26 -0.17 135.00 143.00 1rz0 s PRO 140 Ca 0.54 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.51 1rz0 s PRO 140 Cb -0.11 -2.86 -0.09 0.00 0.04 0.00 0.00 34.50 31.48 1rz0 s PRO 140 CO 0.17 0.46 1.24 -1.17 0.04 0.00 0.00 177.00 177.75 1rz0 s LEU 141 N -2.30 4.44 0.20 -3.56 2.96 -0.78 -4.09 118.68 115.56 1rz0 s LEU 141 Ca 0.39 2.35 0.11 0.00 -0.22 0.00 0.00 54.13 56.77 1rz0 s LEU 141 Cb -0.13 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1rz0 s LEU 141 CO 0.20 -0.43 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.81 1rz0 s LEU 142 N -0.47 2.44 -0.05 -0.68 1.43 -0.63 -3.21 118.68 117.50 1rz0 s LEU 142 Ca 0.53 -0.88 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1rz0 s LEU 142 Cb -0.35 -1.16 0.02 0.00 0.03 0.00 0.00 46.19 44.73 1rz0 s LEU 142 CO 0.39 0.11 -0.06 0.12 0.23 0.00 0.00 176.35 177.15 1rz0 s PHE 143 N -1.72 0.92 -0.25 0.29 5.36 0.69 -0.90 117.98 122.37 1rz0 s PHE 143 Ca 0.21 -0.29 -0.18 0.00 -0.96 0.00 0.00 56.93 55.71 1rz0 s PHE 143 Cb -0.08 -0.77 0.07 0.00 -0.34 0.00 0.00 43.02 41.90 1rz0 s PHE 143 CO 0.10 -0.22 0.63 0.12 -1.46 0.00 0.00 175.22 174.39 1rz0 s PHE 144 N 0.91 -0.84 -1.49 10.12 5.36 -0.38 -1.51 117.98 130.15 1rz0 s PHE 144 Ca -0.11 1.84 -0.12 0.00 -0.96 0.00 0.00 56.93 57.57 1rz0 s PHE 144 Cb -0.15 0.41 0.08 0.00 -0.34 0.00 0.00 43.02 43.03 1rz0 s PHE 144 CO 0.01 -0.42 0.81 0.43 -1.46 0.00 0.00 175.22 174.58 1rz0 n SER 145 N 3.62 -4.61 0.00 6.13 7.64 0.70 -1.49 113.62 125.61 1rz0 n SER 145 Ca -0.18 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.06 1rz0 n SER 145 Cb 0.57 -3.72 0.00 0.00 -1.01 0.00 0.00 64.21 60.05 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 -1.52 0.56 3.25 0.23 0.00 -1.26 -5.02 105.19 101.42 1rz0 n GLY 146 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.21 1.04 0.40 1.61 1.02 -0.56 -5.14 119.74 117.89 1rz0 s LYS 147 Ca 0.00 -1.26 -0.24 0.00 0.02 0.00 0.00 55.97 54.50 1rz0 s LYS 147 Cb 0.00 -0.93 -0.09 0.00 -0.52 0.00 0.00 37.83 36.29 1rz0 s LYS 147 CO 0.00 0.18 1.03 0.71 -0.92 0.00 0.00 175.35 176.35 1rz0 s TYR 148 N -2.16 3.30 0.24 3.18 2.02 -1.26 -1.24 117.35 121.42 1rz0 s TYR 148 Ca 0.10 1.65 -0.11 0.00 -0.37 0.00 0.00 57.07 58.34 1rz0 s TYR 148 Cb -0.05 -3.09 -0.01 0.00 -0.40 0.00 0.00 41.96 38.42 1rz0 s TYR 148 CO 0.03 -0.52 0.43 -1.01 -1.57 0.00 0.00 175.55 172.91 1rz0 s HIS 149 N -1.70 0.48 0.17 2.71 3.76 -0.08 -4.91 115.29 115.72 1rz0 s HIS 149 Ca 0.58 -0.82 0.06 0.00 -0.15 0.00 0.00 55.06 54.72 1rz0 s HIS 149 Cb -0.21 0.09 -0.05 0.00 1.11 0.00 0.00 32.58 33.53 1rz0 s HIS 149 CO 0.26 -0.95 -0.12 -0.65 -0.85 0.00 0.00 174.74 172.42 1rz0 s GLN 150 N -4.01 1.19 0.39 1.40 -0.21 -1.26 -1.61 119.66 115.55 1rz0 s GLN 150 Ca 0.25 -1.51 -0.26 0.00 0.02 0.00 0.00 55.36 53.86 1rz0 s GLN 150 Cb 0.00 -0.88 -0.09 0.00 1.00 0.00 0.00 33.01 33.05 1rz0 s GLN 150 CO 0.10 0.13 1.20 -0.51 -2.12 0.00 0.00 175.29 174.09 1rz0 s LEU 151 N -3.20 4.23 0.26 2.90 1.43 -1.26 -4.99 118.68 118.04 1rz0 s LEU 151 Ca 0.19 2.43 -0.30 0.00 -1.03 0.00 0.00 54.13 55.42 1rz0 s LEU 151 Cb 0.01 -3.96 -0.10 0.00 0.03 0.00 0.00 46.19 42.17 1rz0 s LEU 151 CO 0.04 -0.68 1.42 0.00 0.23 0.00 0.00 176.35 177.35 1rz0 s ALA 152 N -1.35 3.61 -2.59 4.21 0.00 -1.26 -5.12 121.76 119.26 1rz0 s ALA 152 Ca 0.56 1.32 0.21 0.00 0.00 0.00 0.00 51.96 54.04 1rz0 s ALA 152 Cb -0.33 -3.55 0.16 0.00 0.00 0.00 0.00 23.12 19.41 1rz0 s ALA 152 CO 0.42 -0.73 1.16 1.04 0.00 0.00 0.00 175.76 177.64