#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rnz n GLY -3 N 0.00 3.33 3.46 -5.12 0.00 -1.26 -5.18 105.19 100.41 2rnz n GLY -3 Ca 0.00 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 2rnz n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rnz s SER -2 N -2.60 -0.56 -0.20 1.61 0.15 -1.26 -5.18 113.70 105.66 2rnz s SER -2 Ca 0.24 0.18 -0.29 0.00 0.70 0.00 0.00 55.95 56.78 2rnz s SER -2 Cb 0.01 0.55 0.13 0.00 -1.71 0.00 0.00 66.02 65.01 2rnz s SER -2 CO 0.17 -0.83 1.04 -0.55 1.20 0.00 0.00 173.24 174.27 2rnz s SER -1 N -2.32 -0.36 0.04 5.45 0.15 -1.26 -5.17 113.70 110.23 2rnz s SER -1 Ca -0.01 0.48 0.08 0.00 0.70 0.00 0.00 55.95 57.20 2rnz s SER -1 Cb -0.01 0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 64.69 2rnz s SER -1 CO -0.07 -0.27 -0.23 -1.00 1.20 0.00 0.00 173.24 172.87 2rnz s HIS 0 N -0.74 2.03 -0.01 3.44 0.09 -1.26 -5.14 115.29 113.70 2rnz s HIS 0 Ca 0.00 -0.39 0.01 0.00 -0.00 0.00 0.00 55.06 54.68 2rnz s HIS 0 Cb -0.02 -1.22 0.00 0.00 -0.00 0.00 0.00 32.58 31.35 2rnz s HIS 0 CO -0.01 0.10 -0.03 -1.58 -0.00 0.00 0.00 174.74 173.22 2rnz s HIS 1 N -0.79 0.34 -0.15 1.40 5.04 -1.26 -5.15 115.29 114.72 2rnz s HIS 1 Ca 0.09 -0.06 -0.07 0.00 -1.54 0.00 0.00 55.06 53.49 2rnz s HIS 1 Cb -0.09 -0.26 -0.04 0.00 0.04 0.00 0.00 32.58 32.22 2rnz s HIS 1 CO 0.02 -0.03 0.09 -1.58 -2.34 0.00 0.00 174.74 170.89 2rnz s HIS 2 N 0.15 3.36 -0.26 3.88 2.46 -1.26 -5.09 115.29 118.53 2rnz s HIS 2 Ca -0.01 0.27 -0.02 0.00 0.47 0.00 0.00 55.06 55.76 2rnz s HIS 2 Cb -0.04 -2.01 0.03 0.00 -0.13 0.00 0.00 32.58 30.43 2rnz s HIS 2 CO -0.00 0.39 -0.03 -1.58 -2.47 0.00 0.00 174.74 171.05 2rnz s HIS 3 N -0.23 3.11 0.12 3.88 5.04 -1.26 -5.10 115.29 120.84 2rnz s HIS 3 Ca 0.09 -1.54 0.10 0.00 -1.54 0.00 0.00 55.06 52.17 2rnz s HIS 3 Cb -0.12 -2.09 -0.04 0.00 0.04 0.00 0.00 32.58 30.37 2rnz s HIS 3 CO 0.01 -0.72 -0.21 -1.58 -2.34 0.00 0.00 174.74 169.89 2rnz s HIS 4 N 1.33 2.45 0.05 3.88 2.46 -1.26 -5.14 115.29 119.07 2rnz s HIS 4 Ca -0.00 -0.31 -0.00 0.00 0.47 0.00 0.00 55.06 55.22 2rnz s HIS 4 Cb -0.17 -1.32 -0.04 0.00 -0.13 0.00 0.00 32.58 30.92 2rnz s HIS 4 CO -0.03 0.36 -0.04 -3.38 -2.47 0.00 0.00 174.74 169.18 2rnz s HIS 5 N -1.09 0.56 0.08 3.88 -3.43 -1.26 -5.17 115.29 108.86 2rnz s HIS 5 Ca 0.16 -0.91 0.08 0.00 -0.80 0.00 0.00 55.06 53.59 2rnz s HIS 5 Cb -0.10 -0.38 -0.03 0.00 -1.43 0.00 0.00 32.58 30.63 2rnz s HIS 5 CO 0.08 -0.28 -0.21 0.45 -2.00 0.00 0.00 174.74 172.78 2rnz s SER 6 N -2.61 2.58 -0.80 7.38 0.15 -1.26 -5.09 113.70 114.04 2rnz s SER 6 Ca 0.03 -0.62 -0.15 0.00 0.70 0.00 0.00 55.95 55.92 2rnz s SER 6 Cb 0.03 -0.18 0.20 0.00 -1.71 0.00 0.00 66.02 64.37 2rnz s SER 6 CO -0.07 0.12 0.76 -0.44 1.20 0.00 0.00 173.24 174.81 2rnz s SER 7 N -1.58 6.69 0.00 5.45 0.01 -1.26 -4.96 113.70 118.05 2rnz s SER 7 Ca 0.07 -2.55 0.00 0.00 1.31 0.00 0.00 55.95 54.79 2rnz s SER 7 Cb -0.09 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2rnz s SER 7 CO 0.03 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.65 2rnz n GLY 8 N 4.21 1.51 0.69 3.44 0.00 -1.26 -5.04 105.19 108.74 2rnz n GLY 8 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 2rnz n GLY 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rnz n LEU 9 N 0.00 0.65 -4.41 0.99 4.77 -1.26 -5.09 117.00 112.65 2rnz n LEU 9 Ca 0.00 0.10 -0.25 0.00 -0.03 0.00 0.00 56.01 55.83 2rnz n LEU 9 Cb 0.00 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 40.67 2rnz n LEU 9 CO 0.00 -0.54 -0.51 0.68 -1.33 0.00 0.00 177.39 175.69 2rnz s VAL 10 N -1.61 2.24 0.37 4.08 -7.23 -1.26 -4.74 120.40 112.24 2rnz s VAL 10 Ca -0.05 -2.10 -0.27 0.00 -1.81 0.00 0.00 61.98 57.76 2rnz s VAL 10 Cb 0.01 -2.10 -0.09 0.00 0.56 0.00 0.00 36.38 34.76 2rnz s VAL 10 CO 0.07 -0.24 1.20 -2.16 -0.31 0.00 0.00 175.10 173.66 2rnz s PRO 11 N -2.92 4.19 0.36 4.82 0.04 -1.26 -5.04 135.00 135.19 2rnz s PRO 11 Ca 0.22 1.95 -0.07 0.00 0.04 0.00 0.00 61.00 63.13 2rnz s PRO 11 Cb -0.07 -2.84 0.02 0.00 0.04 0.00 0.00 34.50 31.66 2rnz s PRO 11 CO 0.10 -0.24 0.59 1.03 0.04 0.00 0.00 177.00 178.53 2rnz s ARG 12 N -2.07 2.05 0.00 4.56 0.52 -1.26 -5.09 118.95 117.66 2rnz s ARG 12 Ca 0.54 -1.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 2rnz s ARG 12 Cb -0.34 0.51 0.00 0.00 0.52 0.00 0.00 34.95 35.65 2rnz s ARG 12 CO 0.43 -0.90 0.00 0.41 0.02 0.00 0.00 175.30 175.26 2rnz n GLY 13 N -0.56 -1.19 3.54 -3.53 0.00 -1.26 -4.91 105.19 97.28 2rnz n GLY 13 Ca -0.02 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.47 2rnz n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rnz n SER 14 N 0.00 2.05 -3.09 1.61 7.64 -1.26 -4.81 113.62 115.76 2rnz n SER 14 Ca 0.00 -0.46 -0.05 0.00 1.01 0.00 0.00 58.87 59.37 2rnz n SER 14 Cb 0.00 -1.51 0.02 0.00 -1.01 0.00 0.00 64.21 61.72 2rnz n SER 14 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2rnz n HIS 15 N 15.38 -1.71 -3.01 1.43 -0.00 -1.26 -5.12 115.22 120.93 2rnz n HIS 15 Ca 0.41 -1.46 -0.06 0.00 -0.00 0.00 0.00 57.72 56.61 2rnz n HIS 15 Cb 0.48 0.72 0.02 0.00 -0.00 0.00 0.00 29.99 31.21 2rnz n HIS 15 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2rnz n MET 16 N -0.65 0.88 -3.78 -0.41 2.81 -1.26 -5.10 117.12 109.60 2rnz n MET 16 Ca -0.04 -0.94 -0.36 0.00 -1.81 0.00 0.00 57.70 54.55 2rnz n MET 16 Cb 0.58 -0.07 -0.07 0.00 -0.71 0.00 0.00 33.22 32.94 2rnz n MET 16 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2rnz s SER 17 N -2.08 6.29 0.18 7.83 0.01 -1.26 -4.98 113.70 119.69 2rnz s SER 17 Ca 0.18 0.34 0.18 0.00 1.31 0.00 0.00 55.95 57.96 2rnz s SER 17 Cb -0.01 -2.09 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 2rnz s SER 17 CO 0.12 0.27 1.11 0.58 0.41 0.00 0.00 173.24 175.73 2rnz h VAL 18 N 4.39 0.49 0.00 3.43 2.07 -2.00 -3.27 116.25 121.35 2rnz h VAL 18 Ca -0.47 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.23 2rnz h VAL 18 Cb 1.18 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 2rnz h VAL 18 CO 0.69 0.28 0.00 -0.67 0.02 0.00 0.00 177.57 177.89 2rnz n ASP 19 N -2.97 0.00 -1.97 0.57 2.03 -1.26 -2.15 116.55 110.79 2rnz n ASP 19 Ca -0.03 0.49 -0.05 0.00 0.52 0.00 0.00 54.79 55.72 2rnz n ASP 19 Cb 0.73 -0.50 0.30 0.00 -0.72 0.00 0.00 41.12 40.94 2rnz n ASP 19 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2rnz n ASP 20 N -1.50 4.82 -4.87 1.67 2.03 -1.23 -4.94 116.55 112.53 2rnz n ASP 20 Ca 0.03 -3.15 -0.36 0.00 0.52 0.00 0.00 54.79 51.83 2rnz n ASP 20 Cb 0.16 -0.74 -0.06 0.00 -0.72 0.00 0.00 41.12 39.77 2rnz n ASP 20 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2rnz s ILE 21 N -2.87 5.27 0.25 5.18 1.01 -0.92 -4.97 121.20 124.15 2rnz s ILE 21 Ca 0.53 0.40 0.04 0.00 0.00 0.00 0.00 60.65 61.62 2rnz s ILE 21 Cb 0.42 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 39.37 2rnz s ILE 21 CO 0.13 0.50 0.33 2.30 0.00 0.00 0.00 174.94 178.20 2rnz n ILE 22 N 1.56 0.00 -3.47 2.92 -5.35 -1.26 -5.12 119.36 108.65 2rnz n ILE 22 Ca -0.14 -0.87 -0.27 0.00 -0.27 0.00 0.00 62.75 61.19 2rnz n ILE 22 Cb 0.53 -0.72 -0.03 0.00 -1.74 0.00 0.00 39.64 37.69 2rnz n ILE 22 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2rnz s ILE 23 N -0.68 5.10 -1.53 7.28 -1.09 -1.26 -4.28 121.20 124.74 2rnz s ILE 23 Ca 0.25 -0.17 -0.03 0.00 -2.23 0.00 0.00 60.65 58.46 2rnz s ILE 23 Cb -0.02 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 2rnz s ILE 23 CO 0.16 -0.31 0.44 0.29 -1.23 0.00 0.00 174.94 174.29 2rnz n LYS 24 N -0.98 -3.94 -3.57 2.79 4.76 0.80 -4.99 118.16 113.03 2rnz n LYS 24 Ca -0.03 0.89 -0.27 0.00 -2.87 0.00 0.00 58.31 56.02 2rnz n LYS 24 Cb 0.54 -5.61 -0.03 0.00 -1.84 0.00 0.00 35.03 28.09 2rnz n LYS 24 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rnz s GLN 26 N -3.49 4.20 -0.13 0.00 -2.07 -1.26 -0.82 119.66 116.10 2rnz s GLN 26 Ca 0.40 0.45 0.01 0.00 -1.82 0.00 0.00 55.36 54.40 2rnz s GLN 26 Cb -0.11 -3.56 0.02 0.00 -1.09 0.00 0.00 33.01 28.28 2rnz s GLN 26 CO 0.30 -0.14 -0.13 0.00 -1.32 0.00 0.00 175.29 174.00 2rnz s TRP 28 N 1.36 3.65 -0.38 0.00 0.52 -1.26 -0.94 118.94 121.89 2rnz s TRP 28 Ca 0.01 1.67 -0.14 0.00 0.02 0.00 0.00 56.10 57.66 2rnz s TRP 28 Cb -0.13 -3.14 0.01 0.00 -1.15 0.00 0.00 33.47 29.05 2rnz s TRP 28 CO -0.07 -0.10 0.28 0.08 0.02 0.00 0.00 176.95 177.16 2rnz s VAL 29 N 0.97 5.27 -0.65 4.03 1.01 0.85 -4.18 120.40 127.69 2rnz s VAL 29 Ca 0.52 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 2rnz s VAL 29 Cb -0.22 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.37 2rnz s VAL 29 CO 0.28 -0.19 1.03 -1.58 0.00 0.00 0.00 175.10 174.64 2rnz s GLN 30 N 1.71 3.18 0.75 2.72 0.74 -1.26 -1.33 119.66 126.16 2rnz s GLN 30 Ca 0.06 -0.58 -0.12 0.00 0.05 0.00 0.00 55.36 54.77 2rnz s GLN 30 Cb -0.18 -4.18 0.04 0.00 1.10 0.00 0.00 33.01 29.79 2rnz s GLN 30 CO 0.10 -1.82 1.11 0.21 -0.55 0.00 0.00 175.29 174.34 2rnz s LYS 31 N 4.42 2.46 0.08 1.67 2.47 -0.69 -4.95 119.74 125.19 2rnz s LYS 31 Ca 0.27 0.49 -0.28 0.00 -1.56 0.00 0.00 55.97 54.89 2rnz s LYS 31 Cb -0.14 -1.97 -0.12 0.00 -1.46 0.00 0.00 37.83 34.14 2rnz s LYS 31 CO 0.13 -1.33 1.44 -0.97 0.16 0.00 0.00 175.35 174.79 2rnz h ASN 32 N -0.87 -1.26 0.00 1.43 -0.73 -2.02 -3.29 115.58 108.85 2rnz h ASN 32 Ca -0.46 0.13 -0.00 0.00 1.87 0.00 0.00 56.30 57.84 2rnz h ASN 32 Cb 1.27 0.46 -0.00 0.00 0.27 0.00 0.00 38.32 40.32 2rnz h ASN 32 CO 0.62 -0.45 -0.10 -0.67 -0.37 0.00 0.00 177.43 176.47 2rnz n ASP 33 N -4.85 1.93 -3.34 1.15 2.03 -1.26 -5.05 116.55 107.16 2rnz n ASP 33 Ca -0.07 -2.91 -0.19 0.00 0.52 0.00 0.00 54.79 52.14 2rnz n ASP 33 Cb 0.33 -0.39 -0.08 0.00 -0.72 0.00 0.00 41.12 40.26 2rnz n ASP 33 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2rnz s GLU 34 N -2.38 1.77 -0.02 -0.67 2.02 -1.24 -5.17 118.70 113.00 2rnz s GLU 34 Ca 0.27 -2.02 -0.00 0.00 0.02 0.00 0.00 54.97 53.24 2rnz s GLU 34 Cb 0.23 0.33 0.03 0.00 0.10 0.00 0.00 34.13 34.82 2rnz s GLU 34 CO 0.02 -0.66 0.04 -2.00 0.02 0.00 0.00 175.26 172.68 2rnz s GLU 35 N -3.43 -0.05 0.28 1.61 2.12 -1.26 -1.71 118.70 116.27 2rnz s GLU 35 Ca 0.41 0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.98 2rnz s GLU 35 Cb 0.02 -0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.07 2rnz s GLU 35 CO 0.28 -0.20 0.12 0.50 -0.54 0.00 0.00 175.26 175.42 2rnz s ARG 36 N 1.29 1.49 -0.00 4.30 3.52 -0.44 -4.96 118.95 124.15 2rnz s ARG 36 Ca -0.06 -1.83 0.00 0.00 -0.13 0.00 0.00 55.73 53.71 2rnz s ARG 36 Cb -0.13 -0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.08 2rnz s ARG 36 CO -0.03 -0.37 -0.01 -1.17 -0.81 0.00 0.00 175.30 172.91 2rnz s LEU 37 N -3.34 1.91 0.19 -0.88 2.96 -1.26 -0.11 118.68 118.16 2rnz s LEU 37 Ca 0.37 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.25 2rnz s LEU 37 Cb 0.06 -0.06 -0.04 0.00 0.50 0.00 0.00 46.19 46.66 2rnz s LEU 37 CO 0.15 -0.00 0.12 0.00 -1.32 0.00 0.00 176.35 175.30 2rnz s ALA 38 N 0.09 1.14 0.33 5.97 0.00 -0.11 -4.42 121.76 124.76 2rnz s ALA 38 Ca -0.01 -1.68 0.09 0.00 0.00 0.00 0.00 51.96 50.37 2rnz s ALA 38 Cb -0.02 1.34 -0.06 0.00 0.00 0.00 0.00 23.12 24.38 2rnz s ALA 38 CO -0.00 -0.58 -0.04 -2.00 0.00 0.00 0.00 175.76 173.14 2rnz s GLU 39 N -4.15 1.98 -0.24 0.00 2.12 -0.19 -0.13 118.70 118.10 2rnz s GLU 39 Ca 0.38 -1.79 -0.11 0.00 0.36 0.00 0.00 54.97 53.81 2rnz s GLU 39 Cb 0.07 -1.86 -0.05 0.00 0.26 0.00 0.00 34.13 32.55 2rnz s GLU 39 CO 0.11 0.16 0.16 0.42 -0.54 0.00 0.00 175.26 175.57 2rnz s ILE 40 N -2.54 5.36 -0.03 -3.70 -1.09 0.00 -0.04 121.20 119.16 2rnz s ILE 40 Ca 0.34 0.18 -0.04 0.00 -2.23 0.00 0.00 60.65 58.90 2rnz s ILE 40 Cb 0.00 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.37 2rnz s ILE 40 CO 0.18 0.35 -0.07 0.18 -1.23 0.00 0.00 174.94 174.35 2rnz n LEU 41 N 4.25 0.44 -4.59 2.97 4.77 -0.52 -0.14 117.00 124.18 2rnz n LEU 41 Ca -0.15 0.07 -0.27 0.00 -0.03 0.00 0.00 56.01 55.63 2rnz n LEU 41 Cb 0.52 -0.49 -0.11 0.00 -2.33 0.00 0.00 43.42 41.01 2rnz n LEU 41 CO 0.35 -0.46 -0.33 -0.94 -1.33 0.00 0.00 177.39 174.68 2rnz s SER 42 N -4.57 3.79 -0.01 -1.43 1.04 -1.26 -4.58 113.70 106.68 2rnz s SER 42 Ca -0.06 -1.30 -0.00 0.00 0.48 0.00 0.00 55.95 55.07 2rnz s SER 42 Cb 0.01 -0.37 0.02 0.00 0.10 0.00 0.00 66.02 65.77 2rnz s SER 42 CO 0.09 -0.35 0.02 -0.63 0.98 0.00 0.00 173.24 173.34 2rnz s ILE 43 N -2.68 -0.03 -0.08 -1.02 1.01 -1.26 -1.28 121.20 115.87 2rnz s ILE 43 Ca 0.34 0.11 0.03 0.00 0.00 0.00 0.00 60.65 61.13 2rnz s ILE 43 Cb 0.07 -0.05 0.00 0.00 0.01 0.00 0.00 42.46 42.50 2rnz s ILE 43 CO 0.17 0.04 -0.18 0.20 0.00 0.00 0.00 174.94 175.18 2rnz s ASN 44 N 0.54 2.40 -0.45 3.58 0.01 -0.76 -5.02 114.94 115.24 2rnz s ASN 44 Ca -0.04 -0.42 0.04 0.00 -0.71 0.00 0.00 52.86 51.72 2rnz s ASN 44 Cb -0.06 -1.03 0.44 0.00 0.41 0.00 0.00 41.25 41.01 2rnz s ASN 44 CO -0.02 0.11 1.46 0.35 -1.51 0.00 0.00 177.10 177.49 2rnz n THR 45 N 3.58 2.87 0.09 1.60 -2.24 -1.26 -0.89 114.28 118.02 2rnz n THR 45 Ca -0.21 -4.00 0.03 0.00 -2.27 0.00 0.00 64.05 57.60 2rnz n THR 45 Cb 0.52 -1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 67.56 2rnz n THR 45 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2rnz h ARG 46 N 2.25 0.00 -5.20 -0.78 9.65 -1.95 -3.48 114.38 114.87 2rnz h ARG 46 Ca 0.44 0.00 -0.66 0.00 -1.10 0.00 0.00 59.98 58.65 2rnz h ARG 46 Cb 1.15 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 29.60 2rnz h ARG 46 CO 1.04 0.31 -0.52 0.15 2.80 0.00 0.00 179.97 183.75 2rnz s LYS 47 N -3.00 2.15 -0.10 0.20 1.02 -1.26 -5.08 119.74 113.67 2rnz s LYS 47 Ca 0.00 -2.36 -0.02 0.00 0.02 0.00 0.00 55.97 53.60 2rnz s LYS 47 Cb 0.08 -1.44 0.04 0.00 -0.52 0.00 0.00 37.83 35.99 2rnz s LYS 47 CO 0.78 -0.36 0.04 0.00 -0.92 0.00 0.00 175.35 174.89 2rnz s ALA 48 N -2.91 0.56 0.96 5.17 0.00 -1.26 -2.67 121.76 121.62 2rnz s ALA 48 Ca 0.09 -0.14 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 2rnz s ALA 48 Cb 0.02 -0.82 0.17 0.00 0.00 0.00 0.00 23.12 22.49 2rnz s ALA 48 CO 0.05 -0.68 1.09 -1.25 0.00 0.00 0.00 175.76 174.97 2rnz s PRO 49 N 2.04 0.73 0.79 0.00 0.04 -1.26 -4.75 135.00 132.58 2rnz s PRO 49 Ca 0.04 0.63 -0.11 0.00 0.04 0.00 0.00 61.00 61.60 2rnz s PRO 49 Cb -0.13 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.71 2rnz s PRO 49 CO -0.06 -2.56 1.09 -1.25 0.04 0.00 0.00 177.00 174.27 2rnz s PRO 50 N -4.95 2.15 0.33 0.56 0.04 -1.09 -4.92 135.00 127.11 2rnz s PRO 50 Ca 0.65 1.13 0.06 0.00 0.04 0.00 0.00 61.00 62.88 2rnz s PRO 50 Cb -0.18 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 2rnz s PRO 50 CO 0.57 -1.71 0.45 0.15 0.04 0.00 0.00 177.00 176.51 2rnz s LYS 51 N -4.91 3.14 -0.02 4.56 3.01 -0.07 -4.22 119.74 121.23 2rnz s LYS 51 Ca 0.61 -0.99 -0.09 0.00 -1.01 0.00 0.00 55.97 54.49 2rnz s LYS 51 Cb -0.17 -2.82 0.01 0.00 -1.01 0.00 0.00 37.83 33.84 2rnz s LYS 51 CO 0.56 0.10 0.19 -0.06 0.51 0.00 0.00 175.35 176.65 2rnz s PHE 52 N -2.16 -0.08 -0.21 3.18 0.40 0.45 -1.83 117.98 117.73 2rnz s PHE 52 Ca 0.44 0.15 -0.20 0.00 -0.60 0.00 0.00 56.93 56.72 2rnz s PHE 52 Cb -0.09 0.02 -0.03 0.00 0.51 0.00 0.00 43.02 43.42 2rnz s PHE 52 CO 0.31 -0.26 0.57 -0.47 0.70 0.00 0.00 175.22 176.08 2rnz s TYR 53 N -0.93 3.36 0.10 0.36 6.14 -0.40 -1.20 117.35 124.78 2rnz s TYR 53 Ca -0.10 0.83 -0.07 0.00 0.64 0.00 0.00 57.07 58.37 2rnz s TYR 53 Cb -0.05 -2.74 -0.06 0.00 0.42 0.00 0.00 41.96 39.53 2rnz s TYR 53 CO 0.02 -0.16 0.37 0.14 0.64 0.00 0.00 175.55 176.56 2rnz s VAL 54 N 1.85 5.15 0.18 3.14 -7.23 -0.36 -1.44 120.40 121.69 2rnz s VAL 54 Ca 0.26 0.22 0.05 0.00 -1.81 0.00 0.00 61.98 60.70 2rnz s VAL 54 Cb -0.16 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.11 2rnz s VAL 54 CO 0.10 0.17 -0.09 -2.28 -0.31 0.00 0.00 175.10 172.70 2rnz s HIS 55 N -1.51 1.41 -0.07 2.82 2.46 0.94 -3.47 115.29 117.87 2rnz s HIS 55 Ca 0.36 -0.76 -0.05 0.00 0.47 0.00 0.00 55.06 55.08 2rnz s HIS 55 Cb -0.13 -0.73 -0.04 0.00 -0.13 0.00 0.00 32.58 31.55 2rnz s HIS 55 CO 0.21 0.11 0.17 1.52 -2.47 0.00 0.00 174.74 174.27 2rnz s TYR 56 N -3.28 3.58 -0.09 3.88 1.13 -1.26 -1.02 117.35 120.29 2rnz s TYR 56 Ca 0.20 0.47 0.08 0.00 -1.41 0.00 0.00 57.07 56.42 2rnz s TYR 56 Cb 0.03 -1.90 -0.11 0.00 -1.10 0.00 0.00 41.96 38.87 2rnz s TYR 56 CO 0.03 0.70 0.03 1.55 -2.51 0.00 0.00 175.55 175.35 2rnz n VAL 57 N 1.54 0.64 0.00 -3.49 3.14 -1.26 -4.89 118.33 114.01 2rnz n VAL 57 Ca -0.16 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.83 2rnz n VAL 57 Cb 0.54 -0.76 0.00 0.00 -1.06 0.00 0.00 33.84 32.56 2rnz n VAL 57 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2rnz n ASN 58 N -2.36 0.00 -3.20 6.55 2.85 -1.26 -5.03 115.26 112.81 2rnz n ASN 58 Ca -0.15 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.10 2rnz n ASN 58 Cb 0.80 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.76 2rnz n ASN 58 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2rnz n TYR 59 N -1.79 -1.46 -2.12 1.20 9.36 -1.26 -4.91 117.16 116.18 2rnz n TYR 59 Ca 0.00 -2.93 -0.00 0.00 3.32 0.00 0.00 57.90 58.28 2rnz n TYR 59 Cb 0.00 0.42 -0.01 0.00 -0.63 0.00 0.00 39.34 39.13 2rnz n TYR 59 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2rnz n ASN 60 N 2.48 0.04 -0.17 2.98 5.15 -1.26 -4.91 115.26 119.57 2rnz n ASN 60 Ca 0.25 -1.74 0.10 0.00 -0.60 0.00 0.00 54.58 52.58 2rnz n ASN 60 Cb 0.51 -0.08 0.41 0.00 -0.53 0.00 0.00 39.78 40.10 2rnz n ASN 60 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 2rnz h LYS 61 N 0.23 0.60 -0.09 1.20 2.10 -1.92 0.66 116.57 119.35 2rnz h LYS 61 Ca -0.16 -0.04 0.03 0.00 -2.00 0.00 0.00 60.65 58.48 2rnz h LYS 61 Cb 1.42 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2rnz h LYS 61 CO -0.03 0.40 0.11 0.07 -2.00 0.00 0.00 179.45 178.00 2rnz h ARG 62 N 0.62 0.00 -0.42 0.07 0.11 -2.03 0.10 114.38 112.84 2rnz h ARG 62 Ca 0.33 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.34 2rnz h ARG 62 Cb 0.47 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.50 2rnz h ARG 62 CO -0.11 0.00 0.05 -0.11 0.10 0.00 0.00 179.97 179.89 2rnz n LEU 63 N -3.75 4.63 -3.93 0.08 -0.00 0.21 -4.84 117.00 109.40 2rnz n LEU 63 Ca -0.01 -3.17 -0.42 0.00 -0.00 0.00 0.00 56.01 52.41 2rnz n LEU 63 Cb 0.21 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 43.01 2rnz n LEU 63 CO 0.26 0.79 2.40 -0.67 -0.00 0.00 0.00 177.39 180.17 2rnz n ASP 64 N -0.40 4.30 -0.92 1.96 2.03 0.36 -4.76 116.55 119.12 2rnz n ASP 64 Ca 0.28 -2.90 0.00 0.00 0.52 0.00 0.00 54.79 52.69 2rnz n ASP 64 Cb 1.06 -1.64 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 2rnz n ASP 64 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2rnz n GLU 65 N 6.16 0.00 -3.84 -0.67 0.28 -1.23 -4.98 120.64 116.36 2rnz n GLU 65 Ca 0.49 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 57.13 2rnz n GLU 65 Cb 0.40 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.20 2rnz n GLU 65 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 177.13 178.64 2rnz s TRP 66 N -1.96 3.48 0.25 -1.84 1.48 -1.26 -1.22 118.94 117.87 2rnz s TRP 66 Ca 0.00 0.40 0.05 0.00 -1.06 0.00 0.00 56.10 55.49 2rnz s TRP 66 Cb 0.00 -2.04 -0.02 0.00 -1.16 0.00 0.00 33.47 30.25 2rnz s TRP 66 CO 0.00 0.50 0.23 0.44 -4.06 0.00 0.00 176.95 174.06 2rnz n ILE 67 N 2.75 0.00 -3.00 0.66 -5.35 -0.34 -4.96 119.36 109.12 2rnz n ILE 67 Ca -0.18 -1.75 -0.05 0.00 -0.27 0.00 0.00 62.75 60.50 2rnz n ILE 67 Cb 0.53 0.90 0.02 0.00 -1.74 0.00 0.00 39.64 39.35 2rnz n ILE 67 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2rnz n THR 68 N -0.47 0.00 0.13 7.28 -2.24 -1.26 -0.42 114.28 117.31 2rnz n THR 68 Ca 0.05 -0.46 0.05 0.00 -2.27 0.00 0.00 64.05 61.42 2rnz n THR 68 Cb 0.45 -0.89 0.03 0.00 -2.10 0.00 0.00 70.33 67.82 2rnz n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rnz h THR 69 N 0.02 0.52 -0.27 4.28 1.03 -1.89 -3.28 112.91 113.33 2rnz h THR 69 Ca -0.06 -1.79 0.08 0.00 -0.01 0.00 0.00 66.41 64.62 2rnz h THR 69 Cb 0.30 2.17 -0.01 0.00 -1.07 0.00 0.00 68.15 69.53 2rnz h THR 69 CO 0.09 0.30 0.28 -0.78 -0.01 0.00 0.00 175.52 175.40 2rnz h ASP 70 N 0.00 0.00 0.76 0.00 3.58 -1.95 0.15 116.42 118.96 2rnz h ASP 70 Ca -0.03 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.31 2rnz h ASP 70 Cb 1.30 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.33 2rnz h ASP 70 CO 0.04 0.00 -1.32 0.54 -2.88 0.00 0.00 179.24 175.62 2rnz n ARG 71 N -3.84 0.62 -3.54 0.28 5.12 -1.24 -4.80 116.66 109.26 2rnz n ARG 71 Ca 0.04 0.17 -0.39 0.00 -1.93 0.00 0.00 57.85 55.73 2rnz n ARG 71 Cb 0.43 -1.80 -0.11 0.00 -1.16 0.00 0.00 32.46 29.82 2rnz n ARG 71 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2rnz s ILE 72 N -3.08 5.29 -0.12 0.55 1.01 0.53 -4.49 121.20 120.88 2rnz s ILE 72 Ca -0.02 -0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.28 2rnz s ILE 72 Cb 0.09 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2rnz s ILE 72 CO 0.81 0.08 1.63 0.21 0.00 0.00 0.00 174.94 177.67 2rnz s ASN 73 N 1.74 6.55 -1.40 3.58 3.04 -1.26 -4.84 114.94 122.35 2rnz s ASN 73 Ca 0.07 1.98 -0.09 0.00 0.04 0.00 0.00 52.86 54.86 2rnz s ASN 73 Cb -0.17 -2.53 -0.10 0.00 -1.54 0.00 0.00 41.25 36.91 2rnz s ASN 73 CO 0.11 -1.06 2.88 -0.11 -3.04 0.00 0.00 177.10 175.88 2rnz n LEU 74 N 7.68 7.91 -1.46 3.21 -0.00 -1.26 -4.43 117.00 128.65 2rnz n LEU 74 Ca 0.18 -4.04 -0.08 0.00 -0.00 0.00 0.00 56.01 52.06 2rnz n LEU 74 Cb 0.44 -1.47 0.20 0.00 -0.00 0.00 0.00 43.42 42.59 2rnz n LEU 74 CO 0.63 1.82 0.86 0.47 -0.00 0.00 0.00 177.39 181.17 2rnz n ASP 75 N 3.59 3.00 -2.22 1.96 9.92 -1.26 -4.49 116.55 127.05 2rnz n ASP 75 Ca 0.71 -3.66 -0.03 0.00 -0.53 0.00 0.00 54.79 51.28 2rnz n ASP 75 Cb 0.26 -0.69 0.02 0.00 -0.64 0.00 0.00 41.12 40.08 2rnz n ASP 75 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2rnz n LYS 76 N -1.04 0.12 -4.54 -1.24 3.00 -1.26 -5.11 118.16 108.09 2rnz n LYS 76 Ca 0.40 -0.24 -0.23 0.00 -0.00 0.00 0.00 58.31 58.24 2rnz n LYS 76 Cb 1.21 -0.11 -0.14 0.00 0.00 0.00 0.00 35.03 35.98 2rnz n LYS 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2rnz s GLU 77 N -3.06 1.16 0.17 1.64 -1.05 -1.26 -4.94 118.70 111.36 2rnz s GLU 77 Ca 0.08 -0.77 -0.30 0.00 -0.15 0.00 0.00 54.97 53.83 2rnz s GLU 77 Cb -0.00 -1.20 -0.07 0.00 -0.44 0.00 0.00 34.13 32.42 2rnz s GLU 77 CO 0.05 0.31 1.10 0.54 0.95 0.00 0.00 175.26 178.21 2rnz s VAL 78 N -0.71 3.91 -0.29 1.83 0.11 -1.26 -5.02 120.40 118.97 2rnz s VAL 78 Ca 0.05 1.63 -0.12 0.00 -2.93 0.00 0.00 61.98 60.61 2rnz s VAL 78 Cb -0.08 -4.04 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 2rnz s VAL 78 CO 0.01 0.27 0.23 -0.22 -3.33 0.00 0.00 175.10 172.06 2rnz s LEU 79 N -0.29 4.12 -0.67 2.54 0.20 -1.26 -5.03 118.68 118.29 2rnz s LEU 79 Ca 0.50 -0.04 0.01 0.00 0.69 0.00 0.00 54.13 55.29 2rnz s LEU 79 Cb -0.29 -2.18 0.17 0.00 -0.43 0.00 0.00 46.19 43.46 2rnz s LEU 79 CO 0.34 -0.11 0.47 -0.31 -0.29 0.00 0.00 176.35 176.45 2rnz s TYR 80 N 1.81 3.47 -0.24 5.38 2.02 -1.26 -5.07 117.35 123.47 2rnz s TYR 80 Ca 0.08 -3.06 -0.29 0.00 -0.37 0.00 0.00 57.07 53.44 2rnz s TYR 80 Cb -0.16 -2.99 -0.02 0.00 -0.40 0.00 0.00 41.96 38.39 2rnz s TYR 80 CO 0.11 -0.72 1.62 -1.25 -1.57 0.00 0.00 175.55 173.74 2rnz s PRO 81 N -0.71 3.75 0.32 -1.71 0.04 -1.26 -5.01 135.00 130.43 2rnz s PRO 81 Ca 0.21 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 62.84 2rnz s PRO 81 Cb -0.16 -4.05 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 2rnz s PRO 81 CO -0.07 -1.35 0.55 -1.59 0.04 0.00 0.00 177.00 174.59 2rnz s LYS 82 N 4.76 3.55 0.17 4.56 0.00 -1.26 -5.11 119.74 126.40 2rnz s LYS 82 Ca 0.72 -0.16 0.05 0.00 0.00 0.00 0.00 55.97 56.57 2rnz s LYS 82 Cb -0.24 -2.65 -0.04 0.00 0.00 0.00 0.00 37.83 34.90 2rnz s LYS 82 CO 0.30 0.17 0.12 -0.51 0.00 0.00 0.00 175.35 175.43 2rnz s LEU 83 N -3.97 3.75 0.06 2.77 1.43 -1.26 -5.13 118.68 116.34 2rnz s LEU 83 Ca 0.42 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.43 2rnz s LEU 83 Cb -0.10 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 2rnz s LEU 83 CO 0.34 0.07 -0.16 -0.75 0.23 0.00 0.00 176.35 176.08 2rnz s LYS 84 N -3.09 2.06 0.10 1.70 2.20 -1.26 -5.11 119.74 116.34 2rnz s LYS 84 Ca 0.31 -1.01 -0.30 0.00 -0.36 0.00 0.00 55.97 54.61 2rnz s LYS 84 Cb -0.10 -2.22 -0.06 0.00 -1.51 0.00 0.00 37.83 33.94 2rnz s LYS 84 CO 0.23 0.53 1.09 0.00 -0.36 0.00 0.00 175.35 176.84 2rnz s ALA 85 N -1.02 3.32 -0.03 3.13 0.00 -1.26 -5.04 121.76 120.86 2rnz s ALA 85 Ca 0.17 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.89 2rnz s ALA 85 Cb -0.11 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.65 2rnz s ALA 85 CO 0.08 -0.27 -0.07 0.95 0.00 0.00 0.00 175.76 176.45 2rnz s THR 86 N 0.46 0.69 0.39 0.00 -4.23 -1.26 -5.14 115.64 106.55 2rnz s THR 86 Ca 0.53 -0.28 -0.18 0.00 -1.18 0.00 0.00 61.69 60.58 2rnz s THR 86 Cb -0.27 -0.65 -0.10 0.00 1.34 0.00 0.00 72.50 72.82 2rnz s THR 86 CO 0.31 0.24 0.87 -1.81 -0.54 0.00 0.00 174.62 173.69 2rnz s ASP 87 N 0.45 6.86 -0.04 3.99 1.11 -1.26 -5.08 116.67 122.70 2rnz s ASP 87 Ca -0.07 1.53 0.06 0.00 0.18 0.00 0.00 52.55 54.25 2rnz s ASP 87 Cb -0.11 -2.47 -0.01 0.00 1.07 0.00 0.00 42.92 41.40 2rnz s ASP 87 CO 0.01 -0.31 -0.23 -0.70 1.18 0.00 0.00 175.17 175.12 2rnz s GLU 88 N -3.16 2.09 0.00 8.23 -6.30 -1.26 -5.34 118.70 112.97 2rnz s GLU 88 Ca 0.59 -0.81 0.03 0.00 -2.50 0.00 0.00 54.97 52.28 2rnz s GLU 88 Cb -0.09 -1.89 0.02 0.00 0.00 0.00 0.00 34.13 32.17 2rnz s GLU 88 CO 0.16 0.41 0.60 -3.47 0.02 0.00 0.00 175.26 172.97