#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 0.61 -0.64 -2.24 3.45 -2.05 -3.02 116.42 112.53 1rz0 h ASP 3 Ca 0.00 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 1rz0 h ASP 3 Cb 0.00 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.61 1rz0 h ASP 3 CO 0.00 0.40 0.26 -0.09 -1.57 0.00 0.00 179.24 178.24 1rz0 h ARG 4 N 0.69 0.95 -0.42 3.56 2.43 -2.05 -0.84 114.38 118.70 1rz0 h ARG 4 Ca 0.29 -0.17 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 1rz0 h ARG 4 Cb 0.25 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1rz0 h ARG 4 CO -0.09 0.79 -0.16 1.25 -1.51 0.00 0.00 179.97 180.25 1rz0 h LEU 5 N 0.89 0.87 0.31 3.80 5.85 -1.98 -0.36 115.31 124.68 1rz0 h LEU 5 Ca 0.21 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1rz0 h LEU 5 Cb 0.19 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1rz0 h LEU 5 CO -0.02 1.06 -0.24 0.15 -0.34 0.00 0.00 178.44 179.05 1rz0 h PHE 6 N 0.67 -0.64 -0.83 1.25 3.57 -1.39 -1.20 116.94 118.38 1rz0 h PHE 6 Ca 0.10 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1rz0 h PHE 6 Cb 0.71 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.64 1rz0 h PHE 6 CO 0.05 -0.36 0.53 0.00 -2.23 0.00 0.00 178.31 176.31 1rz0 h ARG 7 N -0.55 1.02 -0.46 1.11 3.08 -1.06 -2.00 114.38 115.51 1rz0 h ARG 7 Ca -0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1rz0 h ARG 7 Cb 0.49 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1rz0 h ARG 7 CO -0.01 0.67 0.30 -0.91 -1.07 0.00 0.00 179.97 178.95 1rz0 h ASN 8 N 1.05 0.54 0.00 7.04 2.35 -0.94 -0.84 115.58 124.78 1rz0 h ASN 8 Ca 0.32 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1rz0 h ASN 8 Cb -0.02 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1rz0 h ASN 8 CO -0.10 0.41 0.00 0.00 -1.65 0.00 0.00 177.43 176.08 1rz0 n ALA 9 N -2.23 1.14 0.00 -0.83 0.00 -0.46 -2.70 120.51 115.42 1rz0 n ALA 9 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 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 0.64 0.00 0.00 0.00 0.00 -0.32 -3.83 105.19 101.68 1rz0 n GLY 11 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.01 -3.07 1.61 4.76 -1.10 0.13 118.16 120.50 1rz0 n LYS 12 Ca 0.00 0.03 -0.43 0.00 -2.87 0.00 0.00 58.31 55.03 1rz0 n LYS 12 Cb 0.00 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.63 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 -2.99 2.98 0.47 2.13 5.36 -1.25 -4.94 117.98 119.74 1rz0 s PHE 13 Ca 0.14 -0.41 -0.24 0.00 -0.96 0.00 0.00 56.93 55.46 1rz0 s PHE 13 Cb 0.18 -3.68 -0.07 0.00 -0.34 0.00 0.00 43.02 39.10 1rz0 s PHE 13 CO 0.50 -1.12 1.29 0.00 -1.46 0.00 0.00 175.22 174.43 1rz0 s ALA 14 N 2.98 3.04 0.20 11.12 0.00 -1.26 -4.85 121.76 132.98 1rz0 s ALA 14 Ca 0.19 1.20 -0.05 0.00 0.00 0.00 0.00 51.96 53.30 1rz0 s ALA 14 Cb -0.17 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 1rz0 s ALA 14 CO 0.14 -0.99 0.24 0.95 0.00 0.00 0.00 175.76 176.10 1rz0 s THR 15 N -1.35 0.02 0.02 0.00 -4.23 -0.51 -5.00 115.64 104.59 1rz0 s THR 15 Ca 0.64 -1.74 -0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1rz0 s THR 15 Cb -0.37 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.21 1rz0 s THR 15 CO 0.45 -0.10 0.02 0.61 -0.54 0.00 0.00 174.62 175.07 1rz0 n GLY 16 N -0.27 -2.48 2.87 3.99 0.00 -1.26 -0.46 105.19 107.58 1rz0 n GLY 16 Ca -0.01 -1.44 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.03 0.22 0.33 1.61 1.01 -1.20 -4.46 120.40 116.87 1rz0 s VAL 17 Ca 0.01 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1rz0 s VAL 17 Cb -0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 36.38 36.07 1rz0 s VAL 17 CO 0.01 0.11 -0.04 0.42 0.00 0.00 0.00 175.10 175.60 1rz0 s THR 18 N 0.48 1.82 -0.13 3.92 -4.23 -0.29 -0.43 115.64 116.78 1rz0 s THR 18 Ca -0.05 -2.11 0.01 0.00 -1.18 0.00 0.00 61.69 58.36 1rz0 s THR 18 Cb -0.08 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 1rz0 s THR 18 CO -0.01 -0.18 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.03 1rz0 s VAL 19 N -2.88 2.61 -0.12 2.29 1.01 -0.14 -1.10 120.40 122.07 1rz0 s VAL 19 Ca 0.32 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 1rz0 s VAL 19 Cb 0.05 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1rz0 s VAL 19 CO 0.15 0.53 0.54 -0.63 0.00 0.00 0.00 175.10 175.69 1rz0 s ILE 20 N 0.51 5.14 0.18 2.22 -1.09 -1.26 -0.56 121.20 126.35 1rz0 s ILE 20 Ca -0.11 1.07 0.11 0.00 -2.23 0.00 0.00 60.65 59.48 1rz0 s ILE 20 Cb -0.16 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 1rz0 s ILE 20 CO 0.04 0.28 -0.22 0.42 -1.23 0.00 0.00 174.94 174.23 1rz0 s THR 21 N 0.84 2.19 0.29 2.92 -4.23 0.09 -4.17 115.64 113.56 1rz0 s THR 21 Ca 0.28 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.67 1rz0 s THR 21 Cb -0.16 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.66 1rz0 s THR 21 CO 0.12 -0.18 0.55 0.28 -0.54 0.00 0.00 174.62 174.85 1rz0 s THR 22 N -1.78 0.00 -0.05 3.99 -1.32 -0.07 -0.87 115.64 115.54 1rz0 s THR 22 Ca 0.19 -1.33 0.03 0.00 -1.21 0.00 0.00 61.69 59.37 1rz0 s THR 22 Cb -0.07 -2.34 0.00 0.00 -1.51 0.00 0.00 72.50 68.59 1rz0 s THR 22 CO 0.09 0.00 -0.13 -0.70 -2.21 0.00 0.00 174.62 171.67 1rz0 s GLU 23 N -3.62 1.48 -0.29 7.08 2.12 -1.26 -0.53 118.70 123.68 1rz0 s GLU 23 Ca 0.21 -0.44 -0.02 0.00 0.36 0.00 0.00 54.97 55.09 1rz0 s GLU 23 Cb -0.02 -1.29 0.10 0.00 0.26 0.00 0.00 34.13 33.18 1rz0 s GLU 23 CO 0.11 0.12 0.10 -1.17 -0.54 0.00 0.00 175.26 173.88 1rz0 s LEU 24 N 0.31 1.80 -0.97 2.70 2.96 -0.40 -4.82 118.68 120.28 1rz0 s LEU 24 Ca -0.07 -1.48 -0.10 0.00 -0.22 0.00 0.00 54.13 52.26 1rz0 s LEU 24 Cb -0.12 -0.74 -0.02 0.00 0.50 0.00 0.00 46.19 45.81 1rz0 s LEU 24 CO 0.02 -0.41 0.76 0.59 -1.32 0.00 0.00 176.35 176.00 1rz0 n ASN 25 N 4.95 -6.17 0.00 3.68 3.02 -1.26 -2.96 115.26 116.51 1rz0 n ASN 25 Ca -0.04 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1rz0 n ASN 25 Cb 0.43 -3.96 0.00 0.00 -0.61 0.00 0.00 39.78 35.63 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 -1.62 1.75 3.71 7.41 0.00 -1.26 -5.00 105.19 110.18 1rz0 n GLY 26 Ca -0.10 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.13 3.33 -0.06 4.61 0.00 -1.16 -5.03 121.76 123.32 1rz0 s ALA 27 Ca 0.00 0.77 -0.23 0.00 0.00 0.00 0.00 51.96 52.50 1rz0 s ALA 27 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1rz0 s ALA 27 CO 0.00 -0.37 0.69 0.08 0.00 0.00 0.00 175.76 176.16 1rz0 s VAL 28 N 1.01 5.04 -0.01 0.00 1.01 -1.26 -1.27 120.40 124.91 1rz0 s VAL 28 Ca 0.57 1.43 0.08 0.00 0.00 0.00 0.00 61.98 64.05 1rz0 s VAL 28 Cb -0.27 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1rz0 s VAL 28 CO 0.29 0.26 -0.25 -1.00 0.00 0.00 0.00 175.10 174.41 1rz0 s HIS 29 N 0.75 2.20 0.00 5.22 3.76 0.31 -4.99 115.29 122.53 1rz0 s HIS 29 Ca 0.37 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.87 1rz0 s HIS 29 Cb -0.18 -1.40 0.00 0.00 1.11 0.00 0.00 32.58 32.11 1rz0 s HIS 29 CO 0.18 -0.02 0.00 0.41 -0.85 0.00 0.00 174.74 174.46 1rz0 n GLY 30 N 2.41 4.22 3.43 -2.22 0.00 -1.26 -0.89 105.19 110.87 1rz0 n GLY 30 Ca -0.16 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.37 3.39 -0.07 2.61 2.01 0.65 -4.95 115.64 117.91 1rz0 s THR 32 Ca 0.00 -0.54 -0.08 0.00 0.31 0.00 0.00 61.69 61.38 1rz0 s THR 32 Cb 0.00 -2.45 0.02 0.00 0.01 0.00 0.00 72.50 70.08 1rz0 s THR 32 CO 0.00 0.51 0.21 0.00 -0.69 0.00 0.00 174.62 174.65 1rz0 s ALA 33 N 0.32 -0.52 -0.38 7.40 0.00 -0.26 -4.88 121.76 123.45 1rz0 s ALA 33 Ca -0.08 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.45 1rz0 s ALA 33 Cb -0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1rz0 s ALA 33 CO 0.05 -0.12 0.35 0.27 0.00 0.00 0.00 175.76 176.31 1rz0 n ASN 34 N 2.74 0.59 -3.91 0.00 6.94 -1.26 -1.14 115.26 119.22 1rz0 n ASN 34 Ca -0.14 -0.79 -0.42 0.00 -0.02 0.00 0.00 54.58 53.21 1rz0 n ASN 34 Cb 0.58 0.73 -0.00 0.00 -2.36 0.00 0.00 39.78 38.72 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 5.01 -2.45 -2.53 0.00 -1.26 -4.93 120.51 113.63 1rz0 n ALA 35 Ca 0.02 -3.84 -0.24 0.00 0.00 0.00 0.00 53.44 49.38 1rz0 n ALA 35 Cb 0.10 -3.56 -0.08 0.00 0.00 0.00 0.00 19.45 15.91 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 3.57 1.76 0.08 0.00 5.36 -1.26 -1.55 117.98 125.94 1rz0 s PHE 36 Ca 0.49 -1.39 -0.29 0.00 -0.96 0.00 0.00 56.93 54.78 1rz0 s PHE 36 Cb 0.12 -1.02 -0.05 0.00 -0.34 0.00 0.00 43.02 41.72 1rz0 s PHE 36 CO -0.04 -0.46 0.93 0.45 -1.46 0.00 0.00 175.22 174.63 1rz0 s SER 38 N -3.53 7.42 -0.07 6.13 0.15 -1.26 -5.01 113.70 117.53 1rz0 s SER 38 Ca 0.28 1.70 -0.04 0.00 0.70 0.00 0.00 55.95 58.60 1rz0 s SER 38 Cb 0.03 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1rz0 s SER 38 CO 0.18 -0.09 -0.10 0.52 1.20 0.00 0.00 173.24 174.95 1rz0 n VAL 39 N 2.99 0.58 -3.87 4.45 0.31 -0.31 -4.90 118.33 117.59 1rz0 n VAL 39 Ca 0.02 -0.04 -0.11 0.00 -0.01 0.00 0.00 64.34 64.19 1rz0 n VAL 39 Cb 0.50 -1.64 -0.11 0.00 -0.91 0.00 0.00 33.84 31.67 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 -5.77 -0.02 -0.15 4.52 0.15 -0.87 -4.95 113.70 106.62 1rz0 s SER 40 Ca -0.11 -0.03 -0.23 0.00 0.70 0.00 0.00 55.95 56.29 1rz0 s SER 40 Cb 0.04 0.21 -0.24 0.00 -1.71 0.00 0.00 66.02 64.32 1rz0 s SER 40 CO 0.14 -0.20 0.54 0.25 1.20 0.00 0.00 173.24 175.17 1rz0 h LEU 41 N 5.15 0.13 -7.50 3.45 5.85 -1.95 -0.07 115.31 120.38 1rz0 h LEU 41 Ca -0.28 -0.80 -0.62 0.00 0.84 0.00 0.00 57.88 57.02 1rz0 h LEU 41 Cb 1.20 -0.04 -0.39 0.00 0.37 0.00 0.00 40.66 41.79 1rz0 h LEU 41 CO 0.42 1.35 -0.75 0.20 -0.34 0.00 0.00 178.44 179.32 1rz0 s ASN 42 N -6.70 4.22 0.92 1.25 0.01 -1.26 -2.07 114.94 111.32 1rz0 s ASN 42 Ca -0.22 -1.66 -0.13 0.00 -0.71 0.00 0.00 52.86 50.14 1rz0 s ASN 42 Cb 0.02 -1.23 0.15 0.00 0.41 0.00 0.00 41.25 40.60 1rz0 s ASN 42 CO 0.69 -0.34 1.15 -2.16 -1.51 0.00 0.00 177.10 174.92 1rz0 s PRO 43 N 1.30 1.04 -0.67 -0.60 0.04 -1.26 -5.05 135.00 129.80 1rz0 s PRO 43 Ca 0.05 0.22 -0.27 0.00 0.04 0.00 0.00 61.00 61.04 1rz0 s PRO 43 Cb -0.18 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1rz0 s PRO 43 CO -0.13 -2.25 1.49 0.15 0.04 0.00 0.00 177.00 176.30 1rz0 s LYS 44 N -5.34 3.03 0.16 4.56 1.02 -0.88 -4.48 119.74 117.80 1rz0 s LYS 44 Ca 0.65 0.15 0.10 0.00 0.02 0.00 0.00 55.97 56.88 1rz0 s LYS 44 Cb -0.14 -4.24 -0.04 0.00 -0.52 0.00 0.00 37.83 32.89 1rz0 s LYS 44 CO 0.53 -2.30 -0.22 -0.51 -0.92 0.00 0.00 175.35 171.93 1rz0 s LEU 45 N 6.86 2.39 0.12 3.17 1.43 -0.04 -1.29 118.68 131.33 1rz0 s LEU 45 Ca 0.48 -0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 52.73 1rz0 s LEU 45 Cb -0.10 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 1rz0 s LEU 45 CO 0.18 0.07 0.12 0.54 0.23 0.00 0.00 176.35 177.49 1rz0 s VAL 46 N -1.61 0.12 -0.05 -1.59 0.11 0.54 -1.16 120.40 116.76 1rz0 s VAL 46 Ca 0.15 -1.66 -0.05 0.00 -2.93 0.00 0.00 61.98 57.49 1rz0 s VAL 46 Cb -0.08 -1.82 0.01 0.00 -1.53 0.00 0.00 36.38 32.96 1rz0 s VAL 46 CO 0.07 -0.53 0.13 -0.22 -3.33 0.00 0.00 175.10 171.23 1rz0 s LEU 47 N -2.98 1.49 0.06 2.54 0.20 -1.26 -0.03 118.68 118.70 1rz0 s LEU 47 Ca 0.17 0.24 0.05 0.00 0.69 0.00 0.00 54.13 55.29 1rz0 s LEU 47 Cb 0.06 0.47 -0.03 0.00 -0.43 0.00 0.00 46.19 46.27 1rz0 s LEU 47 CO -0.02 -0.07 -0.15 0.54 -0.29 0.00 0.00 176.35 176.36 1rz0 s VAL 48 N -0.02 1.21 -0.18 1.68 0.11 -0.78 -4.34 120.40 118.07 1rz0 s VAL 48 Ca -0.01 -1.21 -0.00 0.00 -2.93 0.00 0.00 61.98 57.82 1rz0 s VAL 48 Cb -0.01 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.72 1rz0 s VAL 48 CO 0.00 -0.10 -0.14 -0.55 -3.33 0.00 0.00 175.10 170.98 1rz0 s SER 49 N -1.51 3.61 -0.08 3.54 0.15 -0.59 -0.72 113.70 118.10 1rz0 s SER 49 Ca 0.01 -0.52 0.05 0.00 0.70 0.00 0.00 55.95 56.19 1rz0 s SER 49 Cb -0.09 -1.57 -0.01 0.00 -1.71 0.00 0.00 66.02 62.64 1rz0 s SER 49 CO 0.02 0.03 -0.23 -0.63 1.20 0.00 0.00 173.24 173.63 1rz0 s ILE 50 N 1.14 2.21 0.53 6.45 1.01 -0.24 -4.79 121.20 127.52 1rz0 s ILE 50 Ca 0.01 -0.99 -0.22 0.00 0.00 0.00 0.00 60.65 59.45 1rz0 s ILE 50 Cb -0.14 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 1rz0 s ILE 50 CO -0.05 0.56 1.30 -0.83 0.00 0.00 0.00 174.94 175.92 1rz0 s GLY 51 N 0.01 2.85 0.59 6.18 0.00 -1.26 -0.84 107.32 114.85 1rz0 s GLY 51 Ca -0.08 1.21 0.35 0.00 0.00 0.00 0.00 44.72 46.20 1rz0 s GLY 51 CO 0.05 1.70 2.18 1.05 0.00 0.00 0.00 173.10 178.09 1rz0 h GLU 52 N 1.52 0.00 -0.02 2.90 4.11 -1.42 -1.99 114.58 119.68 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 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1rz0 h GLU 52 CO 0.58 0.04 -0.01 1.63 0.07 0.00 0.00 179.01 181.32 1rz0 n LYS 53 N -3.38 1.98 -2.70 1.06 4.01 -1.26 -4.92 118.16 112.96 1rz0 n LYS 53 Ca -0.02 -1.45 -0.42 0.00 -0.51 0.00 0.00 58.31 55.91 1rz0 n LYS 53 Cb 0.18 -1.47 -0.03 0.00 -0.51 0.00 0.00 35.03 33.20 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 -2.01 3.22 0.00 7.82 0.00 -0.75 -5.03 121.76 125.00 1rz0 s ALA 54 Ca 0.32 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1rz0 s ALA 54 Cb 0.20 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1rz0 s ALA 54 CO 0.32 -0.31 0.08 1.63 0.00 0.00 0.00 175.76 177.48 1rz0 n LYS 55 N 4.14 0.00 0.00 0.00 5.02 -1.26 -4.26 118.16 121.80 1rz0 n LYS 55 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1rz0 n LYS 55 Cb 0.50 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 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 1.90 0.00 0.03 -0.35 0.00 -1.26 -3.11 117.00 114.20 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 0.28 0.00 0.00 0.00 0.00 43.42 43.70 1rz0 n LEU 57 CO 0.04 0.00 0.84 1.05 0.00 0.00 0.00 177.39 179.32 1rz0 h GLU 58 N 0.00 0.44 -0.71 1.96 9.09 -1.96 -1.28 114.58 122.13 1rz0 h GLU 58 Ca 0.00 -0.12 0.08 0.00 0.05 0.00 0.00 59.36 59.37 1rz0 h GLU 58 Cb 0.00 -0.05 -0.07 0.00 -1.65 0.00 0.00 28.75 26.99 1rz0 h GLU 58 CO 0.00 0.57 0.37 0.87 0.05 0.00 0.00 179.01 180.88 1rz0 h LYS 59 N 0.41 0.64 0.04 1.06 1.79 -1.90 -0.64 116.57 117.98 1rz0 h LYS 59 Ca 0.08 -0.04 -0.24 0.00 -2.18 0.00 0.00 60.65 58.27 1rz0 h LYS 59 Cb 0.48 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1rz0 h LYS 59 CO 0.03 0.42 -1.03 0.82 -1.08 0.00 0.00 179.45 178.61 1rz0 h ILE 60 N 0.66 1.44 -0.81 1.86 2.04 -1.74 -1.67 117.51 119.29 1rz0 h ILE 60 Ca 0.34 -2.67 0.08 0.00 1.00 0.00 0.00 64.86 63.61 1rz0 h ILE 60 Cb 0.30 2.60 -0.07 0.00 -0.74 0.00 0.00 36.82 38.91 1rz0 h ILE 60 CO -0.23 0.79 0.48 1.56 0.00 0.00 0.00 178.15 180.74 1rz0 h GLN 61 N 0.16 0.80 -0.00 2.37 4.20 -0.86 0.31 115.11 122.10 1rz0 h GLN 61 Ca -0.09 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1rz0 h GLN 61 Cb 1.70 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.30 1rz0 h GLN 61 CO 0.17 0.53 -0.03 1.96 -0.67 0.00 0.00 178.83 180.80 1rz0 h GLN 62 N 0.83 0.02 0.00 1.46 4.20 -1.11 -3.33 115.11 117.17 1rz0 h GLN 62 Ca 0.38 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.99 1rz0 h GLN 62 Cb 0.29 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1rz0 h GLN 62 CO -0.22 0.79 -0.40 0.66 -0.67 0.00 0.00 178.83 178.99 1rz0 h SER 63 N -0.74 0.00 -3.97 1.46 4.64 -1.24 -3.47 113.55 110.23 1rz0 h SER 63 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.96 1rz0 h SER 63 Cb 0.79 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1rz0 h SER 63 CO 0.01 0.40 -0.48 0.29 -0.87 0.00 0.00 176.83 176.17 1rz0 n LYS 64 N -3.41 -2.84 -3.56 4.77 4.76 0.11 -4.96 118.16 113.02 1rz0 n LYS 64 Ca 0.01 0.78 -0.11 0.00 -2.87 0.00 0.00 58.31 56.11 1rz0 n LYS 64 Cb 0.57 -5.47 -0.04 0.00 -1.84 0.00 0.00 35.03 28.25 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 -5.33 1.12 0.07 1.97 -2.85 -1.26 -1.36 119.74 112.11 1rz0 s LYS 65 Ca 0.13 -0.59 -0.26 0.00 -1.00 0.00 0.00 55.97 54.25 1rz0 s LYS 65 Cb -0.06 0.50 0.09 0.00 -2.06 0.00 0.00 37.83 36.30 1rz0 s LYS 65 CO 0.16 -0.45 0.75 1.52 0.10 0.00 0.00 175.35 177.42 1rz0 s TYR 66 N -3.64 -0.45 0.03 1.78 -0.85 -0.80 -4.77 117.35 108.65 1rz0 s TYR 66 Ca 0.01 0.31 0.09 0.00 -0.52 0.00 0.00 57.07 56.96 1rz0 s TYR 66 Cb 0.01 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.86 1rz0 s TYR 66 CO -0.11 -0.69 -0.26 0.00 -1.52 0.00 0.00 175.55 172.97 1rz0 s ALA 67 N -3.31 2.26 -0.28 9.51 0.00 -0.05 -0.39 121.76 129.49 1rz0 s ALA 67 Ca 0.02 -1.23 -0.09 0.00 0.00 0.00 0.00 51.96 50.67 1rz0 s ALA 67 Cb -0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1rz0 s ALA 67 CO -0.10 0.54 0.12 0.08 0.00 0.00 0.00 175.76 176.39 1rz0 s VAL 68 N -0.76 4.51 -0.45 0.00 1.01 0.70 -0.74 120.40 124.67 1rz0 s VAL 68 Ca 0.11 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 1rz0 s VAL 68 Cb -0.10 -3.21 0.10 0.00 0.00 0.00 0.00 36.38 33.16 1rz0 s VAL 68 CO 0.01 0.19 0.32 0.20 0.00 0.00 0.00 175.10 175.83 1rz0 s ASN 69 N 1.62 5.76 -0.01 3.32 0.01 0.27 -1.25 114.94 124.67 1rz0 s ASN 69 Ca 0.05 -1.64 -0.30 0.00 -0.71 0.00 0.00 52.86 50.26 1rz0 s ASN 69 Cb -0.16 -2.04 -0.05 0.00 0.41 0.00 0.00 41.25 39.42 1rz0 s ASN 69 CO 0.05 -0.63 1.25 -0.63 -1.51 0.00 0.00 177.10 175.63 1rz0 s ILE 70 N 1.44 4.05 0.05 0.60 1.01 -0.21 -0.96 121.20 127.18 1rz0 s ILE 70 Ca 0.04 1.42 -0.24 0.00 0.00 0.00 0.00 60.65 61.88 1rz0 s ILE 70 Cb -0.25 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 1rz0 s ILE 70 CO 0.02 0.03 0.71 -0.76 0.00 0.00 0.00 174.94 174.94 1rz0 s LEU 71 N 1.91 4.46 0.74 2.97 1.43 0.43 -0.05 118.68 130.58 1rz0 s LEU 71 Ca 0.59 1.39 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 1rz0 s LEU 71 Cb -0.28 -3.14 0.04 0.00 0.03 0.00 0.00 46.19 42.84 1rz0 s LEU 71 CO 0.25 0.07 1.10 -0.94 0.23 0.00 0.00 176.35 177.06 1rz0 s SER 72 N -0.27 5.05 0.59 2.29 1.04 -1.26 -1.96 113.70 119.18 1rz0 s SER 72 Ca 0.36 1.21 0.30 0.00 0.48 0.00 0.00 55.95 58.29 1rz0 s SER 72 Cb -0.20 -1.98 1.38 0.00 0.10 0.00 0.00 66.02 65.31 1rz0 s SER 72 CO 0.22 -1.60 1.76 -0.61 0.98 0.00 0.00 173.24 173.98 1rz0 h GLN 73 N -0.83 0.00 -0.35 4.02 4.15 -0.74 -1.68 115.11 119.68 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 1.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.95 1rz0 h GLN 73 CO 0.62 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.27 1rz0 n ASP 74 N -3.67 2.05 -0.49 -0.69 8.00 -1.26 -4.37 116.55 116.12 1rz0 n ASP 74 Ca 0.14 -1.94 0.07 0.00 0.71 0.00 0.00 54.79 53.77 1rz0 n ASP 74 Cb 0.93 -0.23 0.17 0.00 -0.02 0.00 0.00 41.12 41.97 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 0.61 1.34 -0.31 -1.24 6.02 -0.63 -4.72 117.38 118.45 1rz0 n GLN 75 Ca 0.14 -2.93 0.09 0.00 -0.01 0.00 0.00 57.00 54.29 1rz0 n GLN 75 Cb 0.34 -1.45 0.31 0.00 1.02 0.00 0.00 30.24 30.46 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 0.67 0.81 -0.55 -1.09 3.64 -1.77 -1.78 116.57 116.50 1rz0 h LYS 76 Ca -0.01 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1rz0 h LYS 76 Cb 1.07 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 1rz0 h LYS 76 CO 0.01 0.54 -0.03 0.28 -2.27 0.00 0.00 179.45 177.98 1rz0 h VAL 77 N 0.84 1.26 -0.83 2.00 2.07 -1.96 -2.27 116.25 117.36 1rz0 h VAL 77 Ca 0.47 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1rz0 h VAL 77 Cb 0.59 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1rz0 h VAL 77 CO -0.23 0.41 0.40 -0.07 0.02 0.00 0.00 177.57 178.10 1rz0 h LEU 78 N 0.89 1.09 -1.09 2.57 3.38 -1.71 0.83 115.31 121.27 1rz0 h LEU 78 Ca 0.16 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.00 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 0.92 0.00 -0.24 0.09 0.00 0.00 178.44 179.24 1rz0 n SER 79 N -4.31 0.06 0.00 -0.43 2.88 -0.82 -1.35 113.62 109.65 1rz0 n SER 79 Ca 0.08 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1rz0 n SER 79 Cb 0.14 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 0.52 0.00 -0.00 -3.46 5.15 0.28 -2.22 115.26 115.54 1rz0 n ASN 81 Ca 0.00 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.06 1rz0 n ASN 81 Cb 0.01 0.00 0.50 0.00 -0.53 0.00 0.00 39.78 39.76 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 -0.18 1.20 3.72 -0.46 -2.33 117.46 119.42 1rz0 n PHE 82 Ca 0.00 -0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 1rz0 n PHE 82 Cb 0.00 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 38.75 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 -0.76 2.28 -1.44 4.37 0.00 -0.94 -0.25 120.51 123.76 1rz0 n ALA 83 Ca 0.13 -1.16 -0.15 0.00 0.00 0.00 0.00 53.44 52.25 1rz0 n ALA 83 Cb 0.06 -0.63 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 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 0.97 1.51 0.28 0.00 0.00 -0.98 -4.87 105.19 102.09 1rz0 n GLY 84 Ca 0.16 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.01 1.23 -4.65 1.61 6.02 -1.26 -4.77 117.38 113.55 1rz0 n GLN 85 Ca -0.15 -0.57 -0.33 0.00 -0.01 0.00 0.00 57.00 55.94 1rz0 n GLN 85 Cb 0.57 -1.49 -0.15 0.00 1.02 0.00 0.00 30.24 30.19 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 -2.17 2.64 0.36 1.08 1.43 -1.26 -4.96 118.68 115.81 1rz0 s LEU 86 Ca 0.36 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.17 1rz0 s LEU 86 Cb 0.21 -1.60 0.81 0.00 0.03 0.00 0.00 46.19 45.63 1rz0 s LEU 86 CO 0.40 0.13 1.91 -0.33 0.23 0.00 0.00 176.35 178.68 1rz0 h GLU 87 N 6.98 0.67 -4.96 1.70 4.39 -1.99 -3.39 114.58 117.98 1rz0 h GLU 87 Ca -0.29 -0.04 -0.67 0.00 0.34 0.00 0.00 59.36 58.71 1rz0 h GLU 87 Cb 1.20 -0.15 -0.32 0.00 -0.10 0.00 0.00 28.75 29.38 1rz0 h GLU 87 CO 0.56 0.45 -0.77 0.21 -1.16 0.00 0.00 179.01 178.30 1rz0 s LYS 88 N -5.65 2.98 0.42 2.33 2.20 -1.26 -5.10 119.74 115.66 1rz0 s LYS 88 Ca -0.10 -0.87 -0.26 0.00 -0.36 0.00 0.00 55.97 54.38 1rz0 s LYS 88 Cb 0.21 -2.89 -0.09 0.00 -1.51 0.00 0.00 37.83 33.55 1rz0 s LYS 88 CO 0.78 -0.31 1.40 -2.14 -0.36 0.00 0.00 175.35 174.72 1rz0 s PRO 89 N 1.35 3.86 0.42 4.03 0.02 -1.26 -5.01 135.00 138.40 1rz0 s PRO 89 Ca 0.02 2.37 -0.14 0.00 0.02 0.00 0.00 61.00 63.28 1rz0 s PRO 89 Cb -0.15 -2.76 -0.08 0.00 0.02 0.00 0.00 34.50 31.53 1rz0 s PRO 89 CO -0.06 -0.66 0.83 0.14 -0.33 0.00 0.00 177.00 176.93 1rz0 s VAL 90 N -1.20 4.67 -0.63 3.83 -7.23 -1.26 -5.01 120.40 113.57 1rz0 s VAL 90 Ca 0.58 0.91 -0.28 0.00 -1.81 0.00 0.00 61.98 61.38 1rz0 s VAL 90 Cb -0.43 -3.69 0.03 0.00 0.56 0.00 0.00 36.38 32.85 1rz0 s VAL 90 CO 0.56 -0.49 1.24 -0.62 -0.31 0.00 0.00 175.10 175.48 1rz0 s ASP 91 N -2.89 6.34 -0.01 4.85 2.15 -1.26 -5.00 116.67 120.86 1rz0 s ASP 91 Ca 0.55 -0.04 -0.16 0.00 0.43 0.00 0.00 52.55 53.33 1rz0 s ASP 91 Cb -0.10 -2.56 -0.06 0.00 -0.30 0.00 0.00 42.92 39.91 1rz0 s ASP 91 CO 0.27 -1.61 0.44 -0.69 -0.17 0.00 0.00 175.17 173.41 1rz0 s VAL 92 N 5.27 5.01 -0.46 1.11 1.01 -1.26 -5.04 120.40 126.05 1rz0 s VAL 92 Ca 0.41 0.90 -0.25 0.00 0.00 0.00 0.00 61.98 63.04 1rz0 s VAL 92 Cb -0.08 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.58 1rz0 s VAL 92 CO 0.22 0.54 0.91 -1.10 0.00 0.00 0.00 175.10 175.67 1rz0 s GLN 93 N -0.84 3.52 -0.04 2.72 -1.52 -1.26 -5.04 119.66 117.20 1rz0 s GLN 93 Ca 0.25 0.14 -0.02 0.00 -1.95 0.00 0.00 55.36 53.77 1rz0 s GLN 93 Cb -0.17 -3.93 -0.04 0.00 -0.22 0.00 0.00 33.01 28.66 1rz0 s GLN 93 CO 0.14 -1.20 0.08 -0.06 -0.25 0.00 0.00 175.29 173.99 1rz0 s PHE 94 N 3.69 3.32 0.00 0.91 0.40 -1.26 -1.85 117.98 123.19 1rz0 s PHE 94 Ca 0.36 0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 1rz0 s PHE 94 Cb -0.10 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.64 1rz0 s PHE 94 CO 0.26 0.57 0.00 -0.85 0.70 0.00 0.00 175.22 175.89 1rz0 n GLU 95 N 1.53 2.77 -4.24 0.44 0.28 0.25 -4.87 120.64 116.80 1rz0 n GLU 95 Ca -0.15 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.67 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 0.39 0.62 -0.19 3.44 2.12 -1.26 -0.87 118.70 122.95 1rz0 s GLU 96 Ca 0.00 -0.22 -0.08 0.00 0.36 0.00 0.00 54.97 55.03 1rz0 s GLU 96 Cb 0.00 -0.61 0.08 0.00 0.26 0.00 0.00 34.13 33.86 1rz0 s GLU 96 CO 0.00 0.10 0.41 -1.17 -0.54 0.00 0.00 175.26 174.07 1rz0 s LEU 97 N 0.06 -0.44 -1.36 2.70 2.96 0.06 -4.90 118.68 117.76 1rz0 s LEU 97 Ca -0.00 0.95 -0.03 0.00 -0.22 0.00 0.00 54.13 54.83 1rz0 s LEU 97 Cb -0.05 1.34 0.02 0.00 0.50 0.00 0.00 46.19 47.99 1rz0 s LEU 97 CO -0.00 -0.22 0.23 0.61 -1.32 0.00 0.00 176.35 175.65 1rz0 n GLY 98 N 4.98 -0.50 1.81 7.98 0.00 -1.26 -1.26 105.19 116.93 1rz0 n GLY 98 Ca -0.14 0.05 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 -1.07 0.79 3.51 -0.02 0.00 -1.26 -4.96 105.19 102.17 1rz0 n GLY 99 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 2.84 0.12 0.99 1.43 -0.39 -4.95 118.68 118.71 1rz0 s LEU 100 Ca 0.00 -0.25 -0.31 0.00 -1.03 0.00 0.00 54.13 52.54 1rz0 s LEU 100 Cb 0.00 -1.63 -0.08 0.00 0.03 0.00 0.00 46.19 44.52 1rz0 s LEU 100 CO 0.00 0.30 1.33 -2.16 0.23 0.00 0.00 176.35 176.05 1rz0 s PRO 101 N -1.18 4.36 0.15 1.29 0.04 -1.26 -0.76 135.00 137.64 1rz0 s PRO 101 Ca 0.14 2.00 0.05 0.00 0.04 0.00 0.00 61.00 63.23 1rz0 s PRO 101 Cb -0.11 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1rz0 s PRO 101 CO 0.04 -0.36 -0.11 0.14 0.04 0.00 0.00 177.00 176.75 1rz0 s VAL 102 N 0.91 1.20 -0.20 -0.36 -7.23 -0.05 -4.66 120.40 110.00 1rz0 s VAL 102 Ca 0.62 -2.03 -0.20 0.00 -1.81 0.00 0.00 61.98 58.57 1rz0 s VAL 102 Cb -0.35 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 1rz0 s VAL 102 CO 0.31 -0.71 0.57 -0.63 -0.31 0.00 0.00 175.10 174.34 1rz0 s ILE 103 N -3.18 5.06 0.28 -0.62 1.01 -1.26 -0.58 121.20 121.91 1rz0 s ILE 103 Ca 0.16 1.07 -0.30 0.00 0.00 0.00 0.00 60.65 61.58 1rz0 s ILE 103 Cb 0.02 -3.89 -0.13 0.00 0.01 0.00 0.00 42.46 38.46 1rz0 s ILE 103 CO 0.01 0.13 1.29 1.17 0.00 0.00 0.00 174.94 177.55 1rz0 n LYS 104 N 4.99 1.93 -0.94 2.79 4.81 -0.77 -2.32 118.16 128.64 1rz0 n LYS 104 Ca -0.03 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1rz0 n LYS 104 Cb 0.50 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.29 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 1.48 -3.68 -4.56 3.14 8.00 -1.26 -4.99 116.55 114.68 1rz0 n ASP 105 Ca 0.09 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.21 1rz0 n ASP 105 Cb 0.33 -1.97 0.05 0.00 -0.02 0.00 0.00 41.12 39.51 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 -0.35 -0.22 2.24 0.00 -0.98 -4.72 120.51 117.49 1rz0 n ALA 106 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1rz0 n ALA 106 Cb 0.22 -2.00 0.12 0.00 0.00 0.00 0.00 19.45 17.79 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 0.41 0.23 -7.41 0.00 5.85 -0.73 -3.44 115.31 110.23 1rz0 h LEU 107 Ca -0.47 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.24 1rz0 h LEU 107 Cb 1.38 0.07 -0.18 0.00 0.37 0.00 0.00 40.66 42.29 1rz0 h LEU 107 CO 0.49 0.13 -0.15 0.00 -0.34 0.00 0.00 178.44 178.57 1rz0 s ALA 108 N -6.08 -0.97 -0.07 1.25 0.00 -1.06 -1.41 121.76 113.42 1rz0 s ALA 108 Ca -0.13 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.26 1rz0 s ALA 108 Cb 0.18 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.50 1rz0 s ALA 108 CO 0.75 -0.36 -0.12 -0.65 0.00 0.00 0.00 175.76 175.38 1rz0 s GLN 109 N -1.86 1.68 -0.18 0.00 -0.21 0.32 -1.04 119.66 118.36 1rz0 s GLN 109 Ca -0.09 -0.39 -0.02 0.00 0.02 0.00 0.00 55.36 54.87 1rz0 s GLN 109 Cb -0.02 -1.43 0.05 0.00 1.00 0.00 0.00 33.01 32.61 1rz0 s GLN 109 CO 0.02 -0.01 0.01 0.42 -2.12 0.00 0.00 175.29 173.61 1rz0 s ILE 110 N 0.79 0.71 -0.05 1.08 1.01 -0.38 -0.75 121.20 123.61 1rz0 s ILE 110 Ca -0.12 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 1rz0 s ILE 110 Cb -0.15 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.16 1rz0 s ILE 110 CO 0.02 -0.10 0.27 -0.44 0.00 0.00 0.00 174.94 174.69 1rz0 s SER 111 N 1.78 6.59 0.02 3.58 0.01 -0.17 -0.22 113.70 125.30 1rz0 s SER 111 Ca -0.01 0.71 0.01 0.00 1.31 0.00 0.00 55.95 57.97 1rz0 s SER 111 Cb -0.17 -2.16 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 1rz0 s SER 111 CO -0.07 0.36 -0.05 0.00 0.41 0.00 0.00 173.24 173.89 1rz0 s GLN 113 N -1.30 3.49 0.06 0.00 -1.52 0.19 -1.90 119.66 118.68 1rz0 s GLN 113 Ca -0.12 -0.48 -0.31 0.00 -1.95 0.00 0.00 55.36 52.51 1rz0 s GLN 113 Cb -0.09 -2.89 -0.07 0.00 -0.22 0.00 0.00 33.01 29.74 1rz0 s GLN 113 CO -0.00 0.37 1.52 0.08 -0.25 0.00 0.00 175.29 177.01 1rz0 s VAL 114 N 0.01 3.28 -0.24 1.09 1.01 -0.46 -0.44 120.40 124.64 1rz0 s VAL 114 Ca 0.01 0.77 0.06 0.00 0.00 0.00 0.00 61.98 62.83 1rz0 s VAL 114 Cb -0.13 -3.49 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 1rz0 s VAL 114 CO 0.02 0.01 0.25 1.33 0.00 0.00 0.00 175.10 176.71 1rz0 n VAL 115 N 4.52 0.00 -3.55 2.92 0.24 -0.09 -4.90 118.33 117.48 1rz0 n VAL 115 Ca 0.14 -0.31 -0.17 0.00 -2.04 0.00 0.00 64.34 61.96 1rz0 n VAL 115 Cb 0.42 0.88 -0.06 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.67 -0.06 -1.34 3.04 -1.17 -5.03 114.94 107.90 1rz0 s ASN 116 Ca 0.02 0.87 0.02 0.00 0.04 0.00 0.00 52.86 53.80 1rz0 s ASN 116 Cb 0.05 0.74 0.02 0.00 -1.54 0.00 0.00 41.25 40.51 1rz0 s ASN 116 CO 0.26 -0.52 -0.10 -1.61 -3.04 0.00 0.00 177.10 172.09 1rz0 s GLU 117 N -0.84 1.49 -0.14 0.43 2.02 -1.26 -1.78 118.70 118.62 1rz0 s GLU 117 Ca -0.08 -0.33 -0.02 0.00 0.02 0.00 0.00 54.97 54.56 1rz0 s GLU 117 Cb -0.01 -1.30 0.04 0.00 0.10 0.00 0.00 34.13 32.97 1rz0 s GLU 117 CO 0.08 -0.02 0.01 0.08 0.02 0.00 0.00 175.26 175.43 1rz0 s VAL 118 N 0.81 0.51 0.27 2.63 1.01 -0.52 -4.99 120.40 120.12 1rz0 s VAL 118 Ca -0.12 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 1rz0 s VAL 118 Cb -0.15 -0.83 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 1rz0 s VAL 118 CO 0.02 0.03 1.21 -1.58 0.00 0.00 0.00 175.10 174.78 1rz0 s GLN 119 N 1.89 4.49 -0.32 2.72 0.74 -1.26 -0.31 119.66 127.60 1rz0 s GLN 119 Ca 0.02 1.99 0.00 0.00 0.05 0.00 0.00 55.36 57.42 1rz0 s GLN 119 Cb -0.15 -3.16 0.14 0.00 1.10 0.00 0.00 33.01 30.94 1rz0 s GLN 119 CO -0.07 -0.03 0.30 0.00 -0.55 0.00 0.00 175.29 174.94 1rz0 s ALA 120 N -0.78 -0.27 0.00 1.58 0.00 0.46 -4.92 121.76 117.83 1rz0 s ALA 120 Ca 0.49 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1rz0 s ALA 120 Cb -0.35 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1rz0 s ALA 120 CO 0.44 -1.87 0.00 0.41 0.00 0.00 0.00 175.76 174.74 1rz0 n GLY 121 N 4.89 3.19 0.37 0.00 0.00 -1.26 -1.67 105.19 110.71 1rz0 n GLY 121 Ca 0.03 0.09 0.16 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.21 1.61 3.45 -1.98 -3.46 116.42 111.83 1rz0 h ASP 122 Ca 0.00 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.13 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 -0.66 -1.00 -1.57 0.00 0.00 179.24 176.01 1rz0 s HIS 123 N -4.29 1.39 -0.09 4.55 3.76 -0.67 -1.00 115.29 118.95 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 0.10 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.99 1rz0 s HIS 123 CO 0.35 -0.14 -0.22 0.99 -0.85 0.00 0.00 174.74 174.88 1rz0 s THR 124 N -3.55 1.88 -0.21 1.30 2.01 -0.02 -0.41 115.64 116.65 1rz0 s THR 124 Ca 0.27 -0.93 -0.23 0.00 0.31 0.00 0.00 61.69 61.12 1rz0 s THR 124 Cb 0.06 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.92 1rz0 s THR 124 CO 0.07 0.52 0.72 -0.76 -0.69 0.00 0.00 174.62 174.48 1rz0 s LEU 125 N 0.30 4.13 -0.38 4.42 1.43 0.57 -1.08 118.68 128.07 1rz0 s LEU 125 Ca -0.15 0.94 -0.09 0.00 -1.03 0.00 0.00 54.13 53.80 1rz0 s LEU 125 Cb -0.17 -3.03 0.06 0.00 0.03 0.00 0.00 46.19 43.08 1rz0 s LEU 125 CO 0.07 -0.37 0.20 -0.36 0.23 0.00 0.00 176.35 176.12 1rz0 s PHE 126 N 2.24 3.30 -0.09 0.29 0.08 0.10 -1.44 117.98 122.46 1rz0 s PHE 126 Ca 0.32 -1.39 -0.25 0.00 0.12 0.00 0.00 56.93 55.73 1rz0 s PHE 126 Cb -0.16 -2.63 -0.03 0.00 -0.57 0.00 0.00 43.02 39.63 1rz0 s PHE 126 CO 0.10 -0.77 0.79 0.42 -0.10 0.00 0.00 175.22 175.66 1rz0 s ILE 127 N 1.44 4.96 -0.05 0.64 1.01 -0.73 -1.86 121.20 126.60 1rz0 s ILE 127 Ca 0.01 1.61 0.05 0.00 0.00 0.00 0.00 60.65 62.33 1rz0 s ILE 127 Cb -0.21 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.13 1rz0 s ILE 127 CO 0.03 0.16 -0.21 -0.83 0.00 0.00 0.00 174.94 174.09 1rz0 s GLY 128 N 0.96 1.11 -0.04 6.18 0.00 0.96 -0.91 107.32 115.58 1rz0 s GLY 128 Ca 0.40 -0.88 -0.19 0.00 0.00 0.00 0.00 44.72 44.05 1rz0 s GLY 128 CO 0.18 -0.52 0.55 1.85 0.00 0.00 0.00 173.10 175.15 1rz0 s GLU 129 N -0.09 4.29 -0.20 2.90 2.12 0.42 -0.34 118.70 127.80 1rz0 s GLU 129 Ca -0.03 0.62 -0.26 0.00 0.36 0.00 0.00 54.97 55.67 1rz0 s GLU 129 Cb -0.12 -3.37 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 1rz0 s GLU 129 CO 0.03 0.31 0.87 0.08 -0.54 0.00 0.00 175.26 176.01 1rz0 s VAL 130 N 0.06 4.83 -0.17 3.70 1.01 -0.42 -0.64 120.40 128.77 1rz0 s VAL 130 Ca 0.29 1.70 0.18 0.00 0.00 0.00 0.00 61.98 64.15 1rz0 s VAL 130 Cb -0.17 -4.17 -0.26 0.00 0.00 0.00 0.00 36.38 31.79 1rz0 s VAL 130 CO 0.15 -0.04 0.17 0.35 0.00 0.00 0.00 175.10 175.72 1rz0 n THR 131 N 5.00 1.25 -3.72 3.92 -2.24 0.11 -4.89 114.28 113.70 1rz0 n THR 131 Ca 0.06 -0.81 -0.14 0.00 -2.27 0.00 0.00 64.05 60.89 1rz0 n THR 131 Cb 0.48 -0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 68.17 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 -5.43 -0.37 -0.00 3.42 1.01 -1.21 -5.02 116.67 109.06 1rz0 s ASP 132 Ca -0.09 0.56 0.01 0.00 0.71 0.00 0.00 52.55 53.74 1rz0 s ASP 132 Cb 0.07 0.63 -0.00 0.00 1.01 0.00 0.00 42.92 44.63 1rz0 s ASP 132 CO 0.84 -0.29 -0.05 -0.63 0.21 0.00 0.00 175.17 175.25 1rz0 s ILE 133 N -0.45 0.38 -0.03 0.77 1.01 -1.26 -1.00 121.20 120.61 1rz0 s ILE 133 Ca -0.06 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1rz0 s ILE 133 Cb -0.03 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.12 1rz0 s ILE 133 CO 0.03 0.11 -0.08 -0.75 0.00 0.00 0.00 174.94 174.24 1rz0 s LYS 134 N -0.08 0.92 0.04 2.79 2.47 0.08 -4.99 119.74 120.97 1rz0 s LYS 134 Ca 0.01 -0.28 0.06 0.00 -1.56 0.00 0.00 55.97 54.20 1rz0 s LYS 134 Cb -0.02 -0.86 -0.02 0.00 -1.46 0.00 0.00 37.83 35.46 1rz0 s LYS 134 CO -0.00 0.10 -0.16 0.42 0.16 0.00 0.00 175.35 175.86 1rz0 s ILE 135 N 0.24 1.31 0.35 5.43 1.01 -1.26 -0.52 121.20 127.75 1rz0 s ILE 135 Ca -0.04 -1.09 0.04 0.00 0.00 0.00 0.00 60.65 59.56 1rz0 s ILE 135 Cb -0.09 -1.17 -0.06 0.00 0.01 0.00 0.00 42.46 41.15 1rz0 s ILE 135 CO 0.00 0.06 0.06 0.42 0.00 0.00 0.00 174.94 175.48 1rz0 s THR 136 N -0.86 1.17 -0.51 2.92 -4.23 -0.50 -5.00 115.64 108.63 1rz0 s THR 136 Ca 0.04 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 1rz0 s THR 136 Cb -0.08 -2.73 0.58 0.00 1.34 0.00 0.00 72.50 71.61 1rz0 s THR 136 CO 0.02 0.00 1.92 -0.62 -0.54 0.00 0.00 174.62 175.39 1rz0 n GLU 137 N -0.76 2.40 -1.77 3.99 -0.58 -1.26 -4.87 120.64 117.78 1rz0 n GLU 137 Ca -0.04 -3.14 -0.31 0.00 -0.42 0.00 0.00 57.16 53.26 1rz0 n GLU 137 Cb 0.66 -2.20 0.03 0.00 -0.57 0.00 0.00 31.44 29.37 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 -3.48 3.26 0.37 3.49 -0.21 -1.26 -5.05 119.66 116.78 1rz0 s GLN 138 Ca 0.59 0.77 -0.23 0.00 0.02 0.00 0.00 55.36 56.51 1rz0 s GLN 138 Cb 0.48 -2.04 -0.10 0.00 1.00 0.00 0.00 33.01 32.35 1rz0 s GLN 138 CO 0.06 -0.82 0.93 -0.51 -2.12 0.00 0.00 175.29 172.83 1rz0 s ASP 139 N -4.08 7.10 0.18 5.90 1.01 -1.26 -4.98 116.67 120.53 1rz0 s ASP 139 Ca 0.56 1.72 -0.14 0.00 0.71 0.00 0.00 52.55 55.40 1rz0 s ASP 139 Cb -0.12 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.19 1rz0 s ASP 139 CO 0.54 -0.22 0.58 -2.16 0.21 0.00 0.00 175.17 174.11 1rz0 s PRO 140 N -2.68 3.98 0.18 8.23 0.04 -1.26 -0.20 135.00 143.29 1rz0 s PRO 140 Ca 0.56 0.51 -0.30 0.00 0.04 0.00 0.00 61.00 61.80 1rz0 s PRO 140 Cb -0.13 -2.86 -0.09 0.00 0.04 0.00 0.00 34.50 31.46 1rz0 s PRO 140 CO 0.18 0.43 1.36 -1.17 0.04 0.00 0.00 177.00 177.84 1rz0 s LEU 141 N -2.14 4.40 0.21 -3.56 2.96 -0.83 -4.11 118.68 115.61 1rz0 s LEU 141 Ca 0.41 2.42 0.11 0.00 -0.22 0.00 0.00 54.13 56.84 1rz0 s LEU 141 Cb -0.14 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1rz0 s LEU 141 CO 0.20 -0.60 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.70 1rz0 s LEU 142 N 0.24 2.69 -0.04 -0.68 1.43 -0.76 -3.22 118.68 118.34 1rz0 s LEU 142 Ca 0.60 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1rz0 s LEU 142 Cb -0.38 -1.34 0.03 0.00 0.03 0.00 0.00 46.19 44.53 1rz0 s LEU 142 CO 0.36 0.09 -0.01 0.12 0.23 0.00 0.00 176.35 177.14 1rz0 s PHE 143 N -1.91 0.43 -0.24 0.29 5.36 0.39 -0.99 117.98 121.31 1rz0 s PHE 143 Ca 0.25 -0.05 -0.14 0.00 -0.96 0.00 0.00 56.93 56.02 1rz0 s PHE 143 Cb -0.07 -0.50 0.07 0.00 -0.34 0.00 0.00 43.02 42.18 1rz0 s PHE 143 CO 0.13 -0.16 0.58 0.12 -1.46 0.00 0.00 175.22 174.43 1rz0 s PHE 144 N 1.11 -0.86 -1.52 10.12 5.36 -0.26 -1.43 117.98 130.49 1rz0 s PHE 144 Ca -0.09 1.78 -0.13 0.00 -0.96 0.00 0.00 56.93 57.53 1rz0 s PHE 144 Cb -0.14 0.46 0.09 0.00 -0.34 0.00 0.00 43.02 43.09 1rz0 s PHE 144 CO -0.02 -0.44 0.92 0.43 -1.46 0.00 0.00 175.22 174.65 1rz0 n SER 145 N 4.12 -4.75 0.00 6.13 7.64 0.12 -1.71 113.62 125.17 1rz0 n SER 145 Ca -0.20 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 58.94 1rz0 n SER 145 Cb 0.57 -3.81 0.00 0.00 -1.01 0.00 0.00 64.21 59.97 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 -1.63 0.77 3.28 0.23 0.00 -1.26 -5.02 105.19 101.56 1rz0 n GLY 146 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.01 1.14 0.33 1.61 1.02 -0.69 -5.14 119.74 118.00 1rz0 s LYS 147 Ca 0.00 -1.37 -0.26 0.00 0.02 0.00 0.00 55.97 54.36 1rz0 s LYS 147 Cb 0.00 -1.00 -0.10 0.00 -0.52 0.00 0.00 37.83 36.22 1rz0 s LYS 147 CO 0.00 0.18 0.97 0.71 -0.92 0.00 0.00 175.35 176.30 1rz0 s TYR 148 N -2.44 3.61 0.25 3.18 2.02 -1.26 -1.10 117.35 121.60 1rz0 s TYR 148 Ca 0.14 1.75 -0.06 0.00 -0.37 0.00 0.00 57.07 58.53 1rz0 s TYR 148 Cb -0.03 -2.98 -0.02 0.00 -0.40 0.00 0.00 41.96 38.53 1rz0 s TYR 148 CO 0.04 0.01 0.33 -1.01 -1.57 0.00 0.00 175.55 173.35 1rz0 s HIS 149 N -1.60 0.84 0.18 2.71 3.76 -0.17 -4.93 115.29 116.07 1rz0 s HIS 149 Ca 0.51 -1.10 0.05 0.00 -0.15 0.00 0.00 55.06 54.37 1rz0 s HIS 149 Cb -0.20 -0.18 -0.05 0.00 1.11 0.00 0.00 32.58 33.26 1rz0 s HIS 149 CO 0.25 -0.87 -0.09 -0.65 -0.85 0.00 0.00 174.74 172.53 1rz0 s GLN 150 N -3.92 1.18 0.44 1.40 -0.21 -1.26 -1.84 119.66 115.45 1rz0 s GLN 150 Ca 0.31 -1.53 -0.24 0.00 0.02 0.00 0.00 55.36 53.92 1rz0 s GLN 150 Cb 0.03 -0.74 -0.08 0.00 1.00 0.00 0.00 33.01 33.22 1rz0 s GLN 150 CO 0.13 0.07 1.19 -0.51 -2.12 0.00 0.00 175.29 174.04 1rz0 s LEU 151 N -3.23 4.08 0.21 2.90 1.43 -1.26 -4.99 118.68 117.82 1rz0 s LEU 151 Ca 0.20 2.37 -0.30 0.00 -1.03 0.00 0.00 54.13 55.37 1rz0 s LEU 151 Cb 0.02 -4.15 -0.09 0.00 0.03 0.00 0.00 46.19 42.00 1rz0 s LEU 151 CO 0.03 -0.87 1.39 0.00 0.23 0.00 0.00 176.35 177.14 1rz0 s ALA 152 N -1.47 3.60 -2.96 4.21 0.00 -1.26 -5.12 121.76 118.76 1rz0 s ALA 152 Ca 0.61 1.23 0.24 0.00 0.00 0.00 0.00 51.96 54.05 1rz0 s ALA 152 Cb -0.31 -3.53 0.25 0.00 0.00 0.00 0.00 23.12 19.54 1rz0 s ALA 152 CO 0.38 -0.65 1.30 1.04 0.00 0.00 0.00 175.76 177.82