#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 3.88 3.72 3.03 0.00 -1.26 -5.09 105.19 109.47 2rnz n GLY -3 Ca 0.00 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 2rnz n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rnz s SER -2 N 0.20 4.09 -0.42 1.61 0.01 -1.26 -4.98 113.70 112.96 2rnz s SER -2 Ca 0.00 2.40 0.10 0.00 1.31 0.00 0.00 55.95 59.75 2rnz s SER -2 Cb 0.00 -2.59 0.41 0.00 0.21 0.00 0.00 66.02 64.05 2rnz s SER -2 CO 0.00 -2.33 0.99 -1.54 0.41 0.00 0.00 173.24 170.76 2rnz n SER -1 N -2.76 3.25 -3.65 2.44 3.41 -1.26 -5.03 113.62 110.02 2rnz n SER -1 Ca 0.14 -3.34 -0.03 0.00 -0.26 0.00 0.00 58.87 55.38 2rnz n SER -1 Cb 0.50 -0.52 -0.07 0.00 -0.26 0.00 0.00 64.21 63.86 2rnz n SER -1 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2rnz s HIS 0 N -3.27 -0.24 -0.08 7.33 -3.43 -1.26 -5.18 115.29 109.16 2rnz s HIS 0 Ca 0.41 0.54 -0.26 0.00 -0.80 0.00 0.00 55.06 54.95 2rnz s HIS 0 Cb 0.39 0.35 0.06 0.00 -1.43 0.00 0.00 32.58 31.95 2rnz s HIS 0 CO -0.10 -0.12 0.60 -3.38 -2.00 0.00 0.00 174.74 169.74 2rnz s HIS 1 N 0.45 -0.57 0.10 0.38 -3.43 -1.26 -5.18 115.29 105.78 2rnz s HIS 1 Ca 0.01 1.05 0.00 0.00 -0.80 0.00 0.00 55.06 55.33 2rnz s HIS 1 Cb -0.04 0.32 -0.04 0.00 -1.43 0.00 0.00 32.58 31.38 2rnz s HIS 1 CO -0.12 -0.52 -0.02 -1.58 -2.00 0.00 0.00 174.74 170.50 2rnz s HIS 2 N -0.94 0.81 -0.01 0.38 2.46 -1.26 -5.17 115.29 111.56 2rnz s HIS 2 Ca -0.10 -1.04 -0.30 0.00 0.47 0.00 0.00 55.06 54.10 2rnz s HIS 2 Cb -0.02 -0.50 0.11 0.00 -0.13 0.00 0.00 32.58 32.04 2rnz s HIS 2 CO 0.07 -0.30 1.15 -1.58 -2.47 0.00 0.00 174.74 171.61 2rnz s HIS 3 N -3.80 -0.11 -1.50 3.88 5.04 -1.26 -4.97 115.29 112.57 2rnz s HIS 3 Ca 0.14 -0.03 -0.01 0.00 -1.54 0.00 0.00 55.06 53.62 2rnz s HIS 3 Cb 0.07 0.56 0.00 0.00 0.04 0.00 0.00 32.58 33.25 2rnz s HIS 3 CO -0.04 -0.43 0.05 0.72 -2.34 0.00 0.00 174.74 172.70 2rnz n HIS 4 N -0.38 -1.23 -1.29 3.88 8.25 -1.26 -4.85 115.22 118.33 2rnz n HIS 4 Ca -0.06 0.04 -0.23 0.00 -0.26 0.00 0.00 57.72 57.21 2rnz n HIS 4 Cb 0.61 -3.54 0.16 0.00 1.12 0.00 0.00 29.99 28.34 2rnz n HIS 4 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2rnz n HIS 5 N -3.82 2.82 -2.23 4.41 1.44 -1.26 -5.00 115.22 111.59 2rnz n HIS 5 Ca -0.20 -2.01 -0.33 0.00 -2.01 0.00 0.00 57.72 53.17 2rnz n HIS 5 Cb 0.65 -0.95 -0.01 0.00 0.12 0.00 0.00 29.99 29.80 2rnz n HIS 5 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2rnz s SER 6 N -1.60 6.02 -1.31 4.39 0.15 -1.26 -4.95 113.70 115.14 2rnz s SER 6 Ca 0.56 1.84 -0.15 0.00 0.70 0.00 0.00 55.95 58.91 2rnz s SER 6 Cb 0.47 -2.54 0.11 0.00 -1.71 0.00 0.00 66.02 62.35 2rnz s SER 6 CO 0.07 -1.01 1.79 -0.24 1.20 0.00 0.00 173.24 175.06 2rnz n SER 7 N -1.66 4.80 0.00 5.45 2.88 -1.26 -4.86 113.62 118.97 2rnz n SER 7 Ca 0.09 -2.95 0.00 0.00 -1.33 0.00 0.00 58.87 54.68 2rnz n SER 7 Cb 0.53 -1.64 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 2rnz n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rnz n GLY 8 N 4.33 0.52 0.53 0.46 0.00 -1.26 -5.07 105.19 104.69 2rnz n GLY 8 Ca 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.44 2rnz n GLY 8 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2rnz n LEU 9 N 0.00 1.39 -4.30 0.99 0.00 -1.26 -5.04 117.00 108.78 2rnz n LEU 9 Ca 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 56.01 55.71 2rnz n LEU 9 Cb 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 43.42 43.16 2rnz n LEU 9 CO 0.00 0.27 -0.52 0.54 0.00 0.00 0.00 177.39 177.68 2rnz s VAL 10 N -2.06 2.41 0.01 1.96 0.11 -1.26 -4.79 120.40 116.77 2rnz s VAL 10 Ca -0.05 -0.92 -0.23 0.00 -2.93 0.00 0.00 61.98 57.85 2rnz s VAL 10 Cb 0.02 -1.93 -0.18 0.00 -1.53 0.00 0.00 36.38 32.76 2rnz s VAL 10 CO 0.06 0.56 1.30 1.55 -3.33 0.00 0.00 175.10 175.25 2rnz h PRO 11 N 6.29 0.17 -5.20 1.54 0.13 -1.96 -3.45 132.00 129.52 2rnz h PRO 11 Ca -0.29 -0.09 -0.45 0.00 -0.87 0.00 0.00 66.00 64.30 2rnz h PRO 11 Cb 1.20 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 2rnz h PRO 11 CO 0.49 0.61 -0.80 1.03 -0.23 0.00 0.00 178.00 179.10 2rnz s ARG 12 N -4.27 0.98 0.08 0.86 0.52 -1.26 -5.04 118.95 110.82 2rnz s ARG 12 Ca -0.15 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 2rnz s ARG 12 Cb 0.03 -0.96 0.00 0.00 0.52 0.00 0.00 34.95 34.54 2rnz s ARG 12 CO 0.71 0.25 0.00 0.41 0.02 0.00 0.00 175.30 176.69 2rnz n GLY 13 N 2.39 -0.08 2.05 -3.53 0.00 -1.26 -4.86 105.19 99.90 2rnz n GLY 13 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.96 4.74 0.00 1.61 7.64 -1.26 -4.57 113.62 118.82 2rnz n SER 14 Ca 0.00 -3.28 0.00 0.00 1.01 0.00 0.00 58.87 56.60 2rnz n SER 14 Cb 0.00 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 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 -0.27 0.00 -3.60 1.43 -0.00 -1.26 -4.45 115.22 107.07 2rnz n HIS 15 Ca 0.44 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.96 2rnz n HIS 15 Cb 1.44 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.99 31.30 2rnz n HIS 15 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2rnz s MET 16 N -0.81 3.20 0.00 -0.41 -1.94 -1.26 -1.43 119.30 116.66 2rnz s MET 16 Ca 0.00 -0.95 0.00 0.00 -1.71 0.00 0.00 55.69 53.03 2rnz s MET 16 Cb 0.00 -2.84 -0.00 0.00 2.01 0.00 0.00 34.83 34.00 2rnz s MET 16 CO 0.00 0.16 -0.01 -1.12 -0.01 0.00 0.00 175.02 174.04 2rnz s SER 17 N -4.12 0.07 0.00 3.03 0.01 -1.26 -4.90 113.70 106.53 2rnz s SER 17 Ca 0.42 -0.10 0.24 0.00 1.31 0.00 0.00 55.95 57.82 2rnz s SER 17 Cb -0.09 0.02 1.22 0.00 0.21 0.00 0.00 66.02 67.37 2rnz s SER 17 CO 0.31 -0.05 1.80 0.55 0.41 0.00 0.00 173.24 176.25 2rnz n VAL 18 N 2.79 0.23 0.31 3.43 3.14 -1.26 -3.25 118.33 123.72 2rnz n VAL 18 Ca -0.14 0.06 0.20 0.00 -2.96 0.00 0.00 64.34 61.50 2rnz n VAL 18 Cb 0.59 -0.66 1.08 0.00 -1.06 0.00 0.00 33.84 33.79 2rnz n VAL 18 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2rnz h ASP 19 N 0.00 0.00 -0.02 6.55 3.58 -2.04 0.19 116.42 124.67 2rnz h ASP 19 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2rnz h ASP 19 Cb 0.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2rnz h ASP 19 CO 0.00 0.00 -0.14 -0.67 -2.88 0.00 0.00 179.24 175.55 2rnz n ASP 20 N -2.92 2.67 -4.01 2.28 2.03 -1.20 -4.87 116.55 110.52 2rnz n ASP 20 Ca -0.03 -1.84 -0.28 0.00 0.52 0.00 0.00 54.79 53.17 2rnz n ASP 20 Cb 0.07 0.14 -0.17 0.00 -0.72 0.00 0.00 41.12 40.45 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 -2.15 1.37 0.16 5.18 1.01 0.66 -4.98 121.20 122.45 2rnz s ILE 21 Ca 0.25 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.37 2rnz s ILE 21 Cb 0.19 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.38 2rnz s ILE 21 CO 0.38 0.42 0.03 2.30 0.00 0.00 0.00 174.94 178.07 2rnz n ILE 22 N 4.41 0.00 -2.61 2.92 -5.35 -1.26 -4.87 119.36 112.60 2rnz n ILE 22 Ca -0.18 -0.84 -0.38 0.00 -0.27 0.00 0.00 62.75 61.08 2rnz n ILE 22 Cb 0.51 0.24 -0.05 0.00 -1.74 0.00 0.00 39.64 38.60 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 -1.89 3.82 -1.12 7.28 1.01 -1.26 -3.68 121.20 125.36 2rnz s ILE 23 Ca 0.04 1.63 -0.05 0.00 0.00 0.00 0.00 60.65 62.26 2rnz s ILE 23 Cb 0.00 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.52 2rnz s ILE 23 CO 0.03 0.23 0.97 0.29 0.00 0.00 0.00 174.94 176.46 2rnz n LYS 24 N 0.74 -6.48 -4.45 2.79 5.02 0.80 -5.01 118.16 111.56 2rnz n LYS 24 Ca 0.01 0.71 -0.24 0.00 -2.02 0.00 0.00 58.31 56.77 2rnz n LYS 24 Cb 0.48 -5.38 -0.10 0.00 -0.02 0.00 0.00 35.03 30.01 2rnz n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rnz s GLN 26 N -3.37 4.20 -0.07 0.00 -2.07 -1.26 -0.87 119.66 116.22 2rnz s GLN 26 Ca 0.28 0.47 0.03 0.00 -1.82 0.00 0.00 55.36 54.32 2rnz s GLN 26 Cb -0.06 -3.56 0.01 0.00 -1.09 0.00 0.00 33.01 28.31 2rnz s GLN 26 CO 0.14 -0.17 -0.15 0.00 -1.32 0.00 0.00 175.29 173.80 2rnz s TRP 28 N 0.60 3.45 -0.38 0.00 0.52 -1.26 -1.31 118.94 120.56 2rnz s TRP 28 Ca -0.15 1.33 -0.14 0.00 0.02 0.00 0.00 56.10 57.16 2rnz s TRP 28 Cb -0.16 -3.41 0.00 0.00 -1.15 0.00 0.00 33.47 28.75 2rnz s TRP 28 CO 0.05 -1.22 0.27 0.08 0.02 0.00 0.00 176.95 176.15 2rnz s VAL 29 N 0.90 5.21 -0.16 4.03 1.01 0.85 -4.39 120.40 127.86 2rnz s VAL 29 Ca 0.58 -0.48 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 2rnz s VAL 29 Cb -0.30 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2rnz s VAL 29 CO 0.30 -0.17 0.62 0.00 0.00 0.00 0.00 175.10 175.85 2rnz s GLN 30 N 1.69 4.27 0.33 2.72 -2.07 -1.22 -1.26 119.66 124.13 2rnz s GLN 30 Ca 0.05 0.64 0.07 0.00 -1.82 0.00 0.00 55.36 54.30 2rnz s GLN 30 Cb -0.18 -3.53 -0.02 0.00 -1.09 0.00 0.00 33.01 28.18 2rnz s GLN 30 CO 0.10 -0.13 0.35 0.15 -1.32 0.00 0.00 175.29 174.44 2rnz s LYS 31 N 1.52 2.85 0.18 9.60 -0.14 -0.70 -4.86 119.74 128.18 2rnz s LYS 31 Ca 0.30 -1.20 -0.16 0.00 -1.36 0.00 0.00 55.97 53.55 2rnz s LYS 31 Cb -0.16 -2.59 0.13 0.00 -1.68 0.00 0.00 37.83 33.54 2rnz s LYS 31 CO 0.12 0.09 1.67 -0.91 -0.76 0.00 0.00 175.35 175.55 2rnz h ASN 32 N 1.14 -0.35 0.00 2.83 4.21 -2.00 -3.27 115.58 118.13 2rnz h ASN 32 Ca -0.45 0.13 -0.06 0.00 1.21 0.00 0.00 56.30 57.13 2rnz h ASN 32 Cb 1.25 0.25 -0.12 0.00 -1.12 0.00 0.00 38.32 38.58 2rnz h ASN 32 CO 0.57 -0.12 -0.64 -0.90 -1.29 0.00 0.00 177.43 175.05 2rnz n ASP 33 N -5.30 0.53 -3.60 5.81 5.68 -1.26 -5.10 116.55 113.31 2rnz n ASP 33 Ca 0.04 -2.14 -0.17 0.00 -0.50 0.00 0.00 54.79 52.02 2rnz n ASP 33 Cb 0.24 -0.26 -0.09 0.00 -1.14 0.00 0.00 41.12 39.88 2rnz n ASP 33 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2rnz s GLU 34 N -0.30 1.59 -0.03 0.11 2.02 -1.24 -5.17 118.70 115.69 2rnz s GLU 34 Ca 0.14 -1.90 -0.01 0.00 0.02 0.00 0.00 54.97 53.22 2rnz s GLU 34 Cb 0.15 0.31 0.03 0.00 0.10 0.00 0.00 34.13 34.72 2rnz s GLU 34 CO -0.05 -0.57 0.04 -1.21 0.02 0.00 0.00 175.26 173.48 2rnz s GLU 35 N -3.65 -0.05 0.30 1.61 8.01 -1.26 -1.72 118.70 121.93 2rnz s GLU 35 Ca 0.40 0.26 0.05 0.00 0.01 0.00 0.00 54.97 55.68 2rnz s GLU 35 Cb 0.04 -0.35 -0.03 0.00 -4.31 0.00 0.00 34.13 29.48 2rnz s GLU 35 CO 0.23 -0.23 0.22 1.03 0.01 0.00 0.00 175.26 176.53 2rnz s ARG 36 N 1.47 1.60 -0.01 1.61 0.52 -0.39 -4.99 118.95 118.76 2rnz s ARG 36 Ca -0.04 -1.91 0.01 0.00 -0.52 0.00 0.00 55.73 53.27 2rnz s ARG 36 Cb -0.13 0.25 0.01 0.00 0.52 0.00 0.00 34.95 35.60 2rnz s ARG 36 CO -0.03 -0.56 -0.02 -1.17 0.02 0.00 0.00 175.30 173.54 2rnz s LEU 37 N -3.32 1.77 0.05 2.53 2.96 -1.26 -0.11 118.68 121.30 2rnz s LEU 37 Ca 0.39 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 54.26 2rnz s LEU 37 Cb 0.04 -0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.54 2rnz s LEU 37 CO 0.22 -0.01 -0.03 0.00 -1.32 0.00 0.00 176.35 175.22 2rnz s ALA 38 N 0.24 0.48 0.25 5.97 0.00 -0.43 -4.86 121.76 123.43 2rnz s ALA 38 Ca -0.02 -1.15 0.07 0.00 0.00 0.00 0.00 51.96 50.86 2rnz s ALA 38 Cb -0.05 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 2rnz s ALA 38 CO -0.01 -0.34 0.25 -2.00 0.00 0.00 0.00 175.76 173.66 2rnz s GLU 39 N -3.65 3.06 -0.20 0.00 2.12 -0.48 -0.68 118.70 118.86 2rnz s GLU 39 Ca 0.05 -0.99 -0.10 0.00 0.36 0.00 0.00 54.97 54.29 2rnz s GLU 39 Cb 0.06 -2.65 -0.05 0.00 0.26 0.00 0.00 34.13 31.75 2rnz s GLU 39 CO -0.09 0.39 0.14 0.42 -0.54 0.00 0.00 175.26 175.58 2rnz s ILE 40 N -2.10 5.40 -0.15 -3.70 -1.09 -0.05 -0.62 121.20 118.90 2rnz s ILE 40 Ca 0.34 0.20 0.01 0.00 -2.23 0.00 0.00 60.65 58.97 2rnz s ILE 40 Cb -0.08 -3.48 -0.09 0.00 -1.58 0.00 0.00 42.46 37.22 2rnz s ILE 40 CO 0.26 0.42 -0.13 0.18 -1.23 0.00 0.00 174.94 174.44 2rnz n LEU 41 N 3.63 2.90 -3.91 2.97 4.77 -0.28 -0.14 117.00 126.95 2rnz n LEU 41 Ca -0.16 -0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.67 2rnz n LEU 41 Cb 0.52 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 2rnz n LEU 41 CO 0.37 0.73 -0.15 -0.55 -1.33 0.00 0.00 177.39 176.45 2rnz s SER 42 N -5.46 0.19 -0.01 -1.43 0.15 -1.26 -4.64 113.70 101.25 2rnz s SER 42 Ca -0.20 -0.69 -0.00 0.00 0.70 0.00 0.00 55.95 55.76 2rnz s SER 42 Cb 0.05 0.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.67 2rnz s SER 42 CO 0.33 -0.68 0.01 -0.63 1.20 0.00 0.00 173.24 173.48 2rnz s ILE 43 N -3.71 -0.01 -0.06 6.45 1.01 -1.26 -0.14 121.20 123.48 2rnz s ILE 43 Ca 0.04 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 2rnz s ILE 43 Cb 0.05 -0.03 -0.04 0.00 0.01 0.00 0.00 42.46 42.44 2rnz s ILE 43 CO -0.10 0.02 0.16 0.21 0.00 0.00 0.00 174.94 175.23 2rnz s ASN 44 N 0.22 6.38 -0.03 3.58 2.47 -1.15 -4.99 114.94 121.42 2rnz s ASN 44 Ca -0.02 0.40 0.12 0.00 0.42 0.00 0.00 52.86 53.79 2rnz s ASN 44 Cb -0.03 -2.03 0.22 0.00 -1.45 0.00 0.00 41.25 37.96 2rnz s ASN 44 CO -0.01 0.33 1.09 0.35 -3.72 0.00 0.00 177.10 175.15 2rnz n THR 45 N 1.41 0.31 -0.06 -5.21 -2.24 -1.26 -3.67 114.28 103.55 2rnz n THR 45 Ca -0.15 -0.80 -0.06 0.00 -2.27 0.00 0.00 64.05 60.77 2rnz n THR 45 Cb 0.54 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.46 0.00 -6.23 -0.78 2.43 -1.96 -3.48 114.38 104.82 2rnz h ARG 46 Ca -0.09 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.50 2rnz h ARG 46 Cb 1.53 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 30.90 2rnz h ARG 46 CO 0.04 0.34 -0.80 0.15 -1.51 0.00 0.00 179.97 178.18 2rnz s LYS 47 N -1.91 1.36 0.11 0.20 1.02 -1.26 -5.15 119.74 114.11 2rnz s LYS 47 Ca -0.10 -1.43 0.03 0.00 0.02 0.00 0.00 55.97 54.49 2rnz s LYS 47 Cb 0.00 -1.54 -0.04 0.00 -0.52 0.00 0.00 37.83 35.73 2rnz s LYS 47 CO 0.26 0.33 0.14 0.00 -0.92 0.00 0.00 175.35 175.15 2rnz s ALA 48 N -1.81 3.68 0.87 5.17 0.00 -1.26 -3.98 121.76 124.43 2rnz s ALA 48 Ca 0.17 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 2rnz s ALA 48 Cb -0.07 -1.51 0.11 0.00 0.00 0.00 0.00 23.12 21.65 2rnz s ALA 48 CO 0.08 0.67 1.09 -1.25 0.00 0.00 0.00 175.76 176.35 2rnz s PRO 49 N -2.69 1.46 0.53 0.00 0.04 -1.26 -4.87 135.00 128.22 2rnz s PRO 49 Ca 0.31 0.89 -0.20 0.00 0.04 0.00 0.00 61.00 62.04 2rnz s PRO 49 Cb -0.12 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2rnz s PRO 49 CO 0.24 -2.12 1.13 -1.25 0.04 0.00 0.00 177.00 175.05 2rnz s PRO 50 N -4.93 3.41 0.38 0.56 0.04 -1.26 -4.98 135.00 128.23 2rnz s PRO 50 Ca 0.63 1.63 0.08 0.00 0.04 0.00 0.00 61.00 63.38 2rnz s PRO 50 Cb -0.18 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2rnz s PRO 50 CO 0.57 -0.81 0.23 0.15 0.04 0.00 0.00 177.00 177.18 2rnz s LYS 51 N -3.21 2.39 -0.09 4.56 -0.14 -1.24 -4.03 119.74 117.97 2rnz s LYS 51 Ca 0.72 -1.63 -0.07 0.00 -1.36 0.00 0.00 55.97 53.63 2rnz s LYS 51 Cb -0.24 -2.18 0.03 0.00 -1.68 0.00 0.00 37.83 33.75 2rnz s LYS 51 CO 0.28 -0.05 0.23 -0.06 -0.76 0.00 0.00 175.35 174.99 2rnz s PHE 52 N -2.49 -0.26 -0.52 3.18 0.08 -0.45 -2.93 117.98 114.59 2rnz s PHE 52 Ca 0.42 0.64 -0.22 0.00 0.12 0.00 0.00 56.93 57.88 2rnz s PHE 52 Cb -0.01 0.08 0.04 0.00 -0.57 0.00 0.00 43.02 42.56 2rnz s PHE 52 CO 0.24 -0.14 0.82 -0.47 -0.10 0.00 0.00 175.22 175.57 2rnz s TYR 53 N 0.33 2.90 0.07 0.36 6.14 0.81 -1.38 117.35 126.58 2rnz s TYR 53 Ca -0.02 -0.16 -0.22 0.00 0.64 0.00 0.00 57.07 57.31 2rnz s TYR 53 Cb -0.03 -3.85 -0.07 0.00 0.42 0.00 0.00 41.96 38.43 2rnz s TYR 53 CO -0.01 -1.21 0.65 0.14 0.64 0.00 0.00 175.55 175.76 2rnz s VAL 54 N 3.44 4.68 0.04 3.14 -7.23 0.97 -1.13 120.40 124.32 2rnz s VAL 54 Ca 0.25 1.40 0.03 0.00 -1.81 0.00 0.00 61.98 61.85 2rnz s VAL 54 Cb -0.15 -4.00 -0.02 0.00 0.56 0.00 0.00 36.38 32.78 2rnz s VAL 54 CO 0.17 0.49 -0.10 -2.28 -0.31 0.00 0.00 175.10 173.08 2rnz s HIS 55 N -0.77 0.83 -0.28 2.82 2.46 0.21 -1.47 115.29 119.10 2rnz s HIS 55 Ca 0.32 -0.43 -0.11 0.00 0.47 0.00 0.00 55.06 55.31 2rnz s HIS 55 Cb -0.20 -0.49 -0.05 0.00 -0.13 0.00 0.00 32.58 31.71 2rnz s HIS 55 CO 0.21 -0.03 0.19 -0.47 -2.47 0.00 0.00 174.74 172.17 2rnz s TYR 56 N -1.16 3.23 0.06 3.88 6.14 -1.26 -1.39 117.35 126.85 2rnz s TYR 56 Ca -0.06 0.13 -0.30 0.00 0.64 0.00 0.00 57.07 57.48 2rnz s TYR 56 Cb -0.09 -2.38 -0.05 0.00 0.42 0.00 0.00 41.96 39.86 2rnz s TYR 56 CO 0.01 -0.15 1.13 0.14 0.64 0.00 0.00 175.55 177.32 2rnz s VAL 57 N 1.73 4.24 -1.08 3.14 -7.23 -1.26 -3.62 120.40 116.32 2rnz s VAL 57 Ca 0.07 1.64 -0.00 0.00 -1.81 0.00 0.00 61.98 61.88 2rnz s VAL 57 Cb -0.16 -4.05 -0.01 0.00 0.56 0.00 0.00 36.38 32.72 2rnz s VAL 57 CO 0.11 0.15 0.90 0.59 -0.31 0.00 0.00 175.10 176.53 2rnz n ASN 58 N 3.73 -2.40 -3.44 4.85 3.02 -1.26 -5.01 115.26 114.76 2rnz n ASN 58 Ca 0.07 -0.57 -0.07 0.00 -0.03 0.00 0.00 54.58 53.99 2rnz n ASN 58 Cb 0.48 -4.70 0.00 0.00 -0.61 0.00 0.00 39.78 34.95 2rnz n ASN 58 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2rnz s TYR 59 N -3.33 -0.04 1.13 3.10 5.04 -1.24 -5.17 117.35 116.85 2rnz s TYR 59 Ca 0.04 -0.48 -0.18 0.00 -2.44 0.00 0.00 57.07 54.00 2rnz s TYR 59 Cb -0.00 0.75 0.14 0.00 0.35 0.00 0.00 41.96 43.19 2rnz s TYR 59 CO 0.66 -1.29 0.12 0.09 -1.34 0.00 0.00 175.55 173.79 2rnz n ASN 60 N -0.90 -2.42 -0.05 4.32 4.13 -1.26 -4.94 115.26 114.14 2rnz n ASN 60 Ca -0.06 -0.18 0.01 0.00 1.68 0.00 0.00 54.58 56.03 2rnz n ASN 60 Cb 0.60 -0.96 -0.15 0.00 -1.54 0.00 0.00 39.78 37.72 2rnz n ASN 60 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2rnz n LYS 61 N -2.40 0.78 -0.14 3.52 4.81 -1.26 -4.36 118.16 119.11 2rnz n LYS 61 Ca 0.01 -0.10 0.26 0.00 -0.87 0.00 0.00 58.31 57.61 2rnz n LYS 61 Cb 0.60 -1.47 0.70 0.00 0.02 0.00 0.00 35.03 34.88 2rnz n LYS 61 CO 0.00 0.00 0.00 0.07 1.17 0.00 0.00 177.40 178.64 2rnz h ARG 62 N 0.00 0.03 0.02 1.64 0.11 -2.01 0.23 114.38 114.39 2rnz h ARG 62 Ca -0.24 -0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.61 2rnz h ARG 62 Cb 1.50 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.57 2rnz h ARG 62 CO 0.01 0.02 -0.97 -0.07 0.10 0.00 0.00 179.97 179.06 2rnz h LEU 63 N 0.03 0.48 -8.69 0.08 3.38 -1.97 -3.43 115.31 105.19 2rnz h LEU 63 Ca 0.39 -0.40 -0.49 0.00 0.09 0.00 0.00 57.88 57.47 2rnz h LEU 63 Cb 1.50 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 42.11 2rnz h LEU 63 CO -0.02 1.21 1.60 -0.62 0.09 0.00 0.00 178.44 180.70 2rnz s ASP 64 N -7.07 4.68 0.28 -0.43 2.15 0.80 -4.88 116.67 112.20 2rnz s ASP 64 Ca -0.05 1.25 0.06 0.00 0.43 0.00 0.00 52.55 54.23 2rnz s ASP 64 Cb 0.09 -2.50 -0.02 0.00 -0.30 0.00 0.00 42.92 40.18 2rnz s ASP 64 CO 0.86 -2.67 0.22 -1.84 -0.17 0.00 0.00 175.17 171.57 2rnz n GLU 65 N 8.96 0.37 -4.59 4.34 0.28 -0.55 -4.96 120.64 124.50 2rnz n GLU 65 Ca 0.35 -2.72 -0.34 0.00 -0.16 0.00 0.00 57.16 54.29 2rnz n GLU 65 Cb 0.53 2.14 -0.11 0.00 1.43 0.00 0.00 31.44 35.42 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 -3.06 2.95 0.34 -1.84 1.48 -1.26 -0.02 118.94 117.53 2rnz s TRP 66 Ca 0.30 -0.06 0.06 0.00 -1.06 0.00 0.00 56.10 55.35 2rnz s TRP 66 Cb 0.01 -1.76 -0.02 0.00 -1.16 0.00 0.00 33.47 30.54 2rnz s TRP 66 CO 0.22 0.25 0.22 0.44 -4.06 0.00 0.00 176.95 174.02 2rnz n ILE 67 N 2.50 0.00 -3.05 0.66 -5.35 -0.48 -4.95 119.36 108.70 2rnz n ILE 67 Ca -0.18 -2.27 -0.04 0.00 -0.27 0.00 0.00 62.75 59.98 2rnz n ILE 67 Cb 0.53 1.02 0.01 0.00 -1.74 0.00 0.00 39.64 39.47 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 -0.69 0.00 0.27 7.28 -2.24 -1.26 -1.33 114.28 116.31 2rnz n THR 68 Ca 0.03 -0.44 0.14 0.00 -2.27 0.00 0.00 64.05 61.51 2rnz n THR 68 Cb 0.57 -0.86 0.40 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.06 0.00 -0.79 4.28 1.03 -1.80 -3.09 112.91 112.60 2rnz h THR 69 Ca -0.06 -0.74 0.23 0.00 -0.01 0.00 0.00 66.41 65.82 2rnz h THR 69 Cb 0.28 1.73 -0.03 0.00 -1.07 0.00 0.00 68.15 69.06 2rnz h THR 69 CO 0.09 0.00 0.58 -0.78 -0.01 0.00 0.00 175.52 175.40 2rnz h ASP 70 N 0.00 0.00 0.00 0.00 3.58 -1.94 -1.23 116.42 116.83 2rnz h ASP 70 Ca 0.00 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 2rnz h ASP 70 Cb 0.76 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 2rnz h ASP 70 CO 0.00 0.00 -1.83 0.54 -2.88 0.00 0.00 179.24 175.07 2rnz n ARG 71 N -4.25 1.10 -3.61 0.28 5.12 -1.20 -4.91 116.66 109.18 2rnz n ARG 71 Ca 0.16 -0.07 -0.39 0.00 -1.93 0.00 0.00 57.85 55.62 2rnz n ARG 71 Cb 0.87 -1.36 -0.11 0.00 -1.16 0.00 0.00 32.46 30.69 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 -2.69 4.97 -0.19 0.55 1.01 -0.46 -3.44 121.20 120.95 2rnz s ILE 72 Ca -0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 2rnz s ILE 72 Cb 0.07 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 2rnz s ILE 72 CO 0.60 0.11 -0.00 0.21 0.00 0.00 0.00 174.94 175.86 2rnz s ASN 73 N 1.68 4.91 1.13 3.58 2.47 -1.26 -4.54 114.94 122.91 2rnz s ASN 73 Ca 0.06 -0.15 -0.18 0.00 0.42 0.00 0.00 52.86 53.00 2rnz s ASN 73 Cb -0.17 -1.83 0.13 0.00 -1.45 0.00 0.00 41.25 37.93 2rnz s ASN 73 CO 0.09 0.10 0.08 0.18 -3.72 0.00 0.00 177.10 173.83 2rnz n LEU 74 N 3.97 -2.25 -0.14 3.21 7.99 -1.26 -4.80 117.00 123.72 2rnz n LEU 74 Ca -0.17 -0.17 -0.30 0.00 -0.01 0.00 0.00 56.01 55.36 2rnz n LEU 74 Cb 0.52 -0.95 -0.10 0.00 -0.11 0.00 0.00 43.42 42.78 2rnz n LEU 74 CO 0.32 -3.12 -1.45 -0.67 -1.51 0.00 0.00 177.39 170.97 2rnz n ASP 75 N -1.91 1.96 -4.68 -1.43 2.03 -1.26 -4.99 116.55 106.26 2rnz n ASP 75 Ca 0.01 0.34 -0.32 0.00 0.52 0.00 0.00 54.79 55.34 2rnz n ASP 75 Cb 0.61 -0.82 0.16 0.00 -0.72 0.00 0.00 41.12 40.34 2rnz n ASP 75 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2rnz s LYS 76 N -2.51 1.16 0.49 -0.67 -0.14 -1.26 -4.94 119.74 111.87 2rnz s LYS 76 Ca -0.39 1.62 -0.23 0.00 -1.36 0.00 0.00 55.97 55.61 2rnz s LYS 76 Cb 0.15 -1.74 -0.07 0.00 -1.68 0.00 0.00 37.83 34.50 2rnz s LYS 76 CO 0.49 -2.54 1.31 -1.83 -0.76 0.00 0.00 175.35 172.02 2rnz s GLU 77 N -4.50 3.50 0.13 1.68 1.03 -1.26 -4.90 118.70 114.37 2rnz s GLU 77 Ca 0.69 2.14 -0.33 0.00 0.03 0.00 0.00 54.97 57.50 2rnz s GLU 77 Cb -0.25 -2.44 -0.13 0.00 -0.80 0.00 0.00 34.13 30.52 2rnz s GLU 77 CO 0.56 -0.87 1.69 1.55 -1.33 0.00 0.00 175.26 176.86 2rnz n VAL 78 N -0.58 0.15 -2.49 1.83 3.14 -1.26 -4.91 118.33 114.20 2rnz n VAL 78 Ca 0.08 -0.03 -0.43 0.00 -2.96 0.00 0.00 64.34 61.00 2rnz n VAL 78 Cb 0.45 -1.75 -0.02 0.00 -1.06 0.00 0.00 33.84 31.46 2rnz n VAL 78 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2rnz s LEU 79 N 1.71 4.18 -0.64 6.55 1.43 -0.52 -4.99 118.68 126.42 2rnz s LEU 79 Ca 0.81 1.64 0.03 0.00 -1.03 0.00 0.00 54.13 55.57 2rnz s LEU 79 Cb -0.62 -3.54 0.16 0.00 0.03 0.00 0.00 46.19 42.21 2rnz s LEU 79 CO 0.39 -0.70 0.42 -0.31 0.23 0.00 0.00 176.35 176.38 2rnz s TYR 80 N 3.17 3.42 0.29 0.29 2.02 -1.26 -4.35 117.35 120.93 2rnz s TYR 80 Ca 0.52 -3.14 -0.29 0.00 -0.37 0.00 0.00 57.07 53.79 2rnz s TYR 80 Cb -0.21 -2.90 -0.10 0.00 -0.40 0.00 0.00 41.96 38.36 2rnz s TYR 80 CO 0.14 -0.70 1.24 -1.25 -1.57 0.00 0.00 175.55 173.42 2rnz s PRO 81 N -0.74 4.45 -0.66 -1.71 0.04 -1.26 -4.98 135.00 130.14 2rnz s PRO 81 Ca 0.21 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.34 2rnz s PRO 81 Cb -0.16 -3.13 0.35 0.00 0.04 0.00 0.00 34.50 31.59 2rnz s PRO 81 CO -0.07 -0.08 1.20 0.36 0.04 0.00 0.00 177.00 178.45 2rnz n LYS 82 N 1.30 3.68 -3.64 4.56 0.00 -1.26 -5.05 118.16 117.76 2rnz n LYS 82 Ca 0.01 -4.71 -0.32 0.00 -0.00 0.00 0.00 58.31 53.29 2rnz n LYS 82 Cb 0.43 -2.29 -0.05 0.00 -0.00 0.00 0.00 35.03 33.12 2rnz n LYS 82 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2rnz s LEU 83 N -3.68 4.27 -1.11 -5.58 0.05 -1.26 -5.03 118.68 106.33 2rnz s LEU 83 Ca 0.47 0.65 -0.12 0.00 0.05 0.00 0.00 54.13 55.18 2rnz s LEU 83 Cb 0.29 -3.27 0.23 0.00 -2.05 0.00 0.00 46.19 41.38 2rnz s LEU 83 CO -0.16 0.07 1.20 -0.54 -0.55 0.00 0.00 176.35 176.37 2rnz s LYS 84 N -2.52 4.08 0.86 1.48 -0.14 -1.26 -5.03 119.74 117.21 2rnz s LYS 84 Ca 0.40 -2.84 -0.13 0.00 -1.36 0.00 0.00 55.97 52.05 2rnz s LYS 84 Cb -0.12 -4.75 0.08 0.00 -1.68 0.00 0.00 37.83 31.35 2rnz s LYS 84 CO 0.23 -1.47 0.92 0.00 -0.76 0.00 0.00 175.35 174.27 2rnz n ALA 85 N 4.12 -1.04 -2.50 5.17 0.00 -1.26 -4.89 120.51 120.11 2rnz n ALA 85 Ca 0.28 -0.45 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 2rnz n ALA 85 Cb 0.42 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.77 2rnz n ALA 85 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2rnz s THR 86 N -2.31 4.13 -0.08 0.00 -4.23 -1.26 -5.01 115.64 106.87 2rnz s THR 86 Ca 0.67 1.19 0.00 0.00 -1.18 0.00 0.00 61.69 62.37 2rnz s THR 86 Cb -0.26 -4.40 -0.03 0.00 1.34 0.00 0.00 72.50 69.16 2rnz s THR 86 CO 0.58 -0.80 -0.07 -1.81 -0.54 0.00 0.00 174.62 171.98 2rnz s ASP 87 N 2.90 4.62 -0.28 3.99 1.01 -1.26 -5.10 116.67 122.54 2rnz s ASP 87 Ca 0.53 -0.06 -0.21 0.00 0.71 0.00 0.00 52.55 53.53 2rnz s ASP 87 Cb -0.11 -1.27 0.12 0.00 1.01 0.00 0.00 42.92 42.67 2rnz s ASP 87 CO 0.29 0.32 0.96 -0.70 0.21 0.00 0.00 175.17 176.25 2rnz s GLU 88 N -0.58 0.51 0.00 8.23 2.56 -1.26 -5.31 118.70 122.84 2rnz s GLU 88 Ca 0.09 0.71 0.13 0.00 0.00 0.00 0.00 54.97 55.90 2rnz s GLU 88 Cb -0.12 0.19 0.10 0.00 2.00 0.00 0.00 34.13 36.30 2rnz s GLU 88 CO 0.02 -0.08 0.90 -3.47 -0.56 0.00 0.00 175.26 172.07