#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rnz s GLY -3 N 0.00 2.11 0.24 3.03 0.00 -1.26 -5.15 107.32 106.30 2rnz s GLY -3 Ca 0.00 -1.89 -0.05 0.00 0.00 0.00 0.00 44.72 42.78 2rnz s GLY -3 CO 0.00 -1.73 0.32 -0.56 0.00 0.00 0.00 173.10 171.13 2rnz s SER -2 N -4.04 0.24 -0.02 1.64 0.01 -1.26 -5.17 113.70 105.10 2rnz s SER -2 Ca 0.45 -1.25 0.01 0.00 1.31 0.00 0.00 55.95 56.47 2rnz s SER -2 Cb -0.02 0.51 0.01 0.00 0.21 0.00 0.00 66.02 66.72 2rnz s SER -2 CO 0.26 -1.03 -0.05 -0.94 0.41 0.00 0.00 173.24 171.90 2rnz s SER -1 N -3.13 0.77 0.34 2.44 1.04 -1.26 -5.15 113.70 108.76 2rnz s SER -1 Ca 0.32 -0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.50 2rnz s SER -1 Cb 0.03 -0.26 -0.08 0.00 0.10 0.00 0.00 66.02 65.80 2rnz s SER -1 CO 0.13 -0.00 0.74 -1.00 0.98 0.00 0.00 173.24 174.09 2rnz s HIS 0 N 0.45 3.39 0.12 5.02 3.76 -1.26 -5.09 115.29 121.68 2rnz s HIS 0 Ca -0.05 1.18 0.07 0.00 -0.15 0.00 0.00 55.06 56.11 2rnz s HIS 0 Cb -0.09 -2.52 -0.04 0.00 1.11 0.00 0.00 32.58 31.04 2rnz s HIS 0 CO -0.00 0.05 -0.08 -1.01 -0.85 0.00 0.00 174.74 172.84 2rnz s HIS 1 N -2.08 2.76 0.34 1.40 0.09 -1.26 -5.14 115.29 111.41 2rnz s HIS 1 Ca 0.54 -0.15 0.03 0.00 -0.00 0.00 0.00 55.06 55.48 2rnz s HIS 1 Cb -0.10 -1.42 -0.04 0.00 -0.00 0.00 0.00 32.58 31.02 2rnz s HIS 1 CO 0.21 0.45 0.12 -1.01 -0.00 0.00 0.00 174.74 174.51 2rnz s HIS 2 N -1.33 1.73 -0.12 1.40 3.76 -1.26 -5.17 115.29 114.30 2rnz s HIS 2 Ca 0.23 -1.24 -0.11 0.00 -0.15 0.00 0.00 55.06 53.79 2rnz s HIS 2 Cb -0.11 -1.05 0.03 0.00 1.11 0.00 0.00 32.58 32.57 2rnz s HIS 2 CO 0.15 -0.32 0.32 -1.01 -0.85 0.00 0.00 174.74 173.03 2rnz s HIS 3 N -3.42 -0.35 -0.44 1.40 0.09 -1.26 -5.13 115.29 106.18 2rnz s HIS 3 Ca 0.32 0.86 -0.11 0.00 -0.00 0.00 0.00 55.06 56.13 2rnz s HIS 3 Cb 0.05 0.12 0.08 0.00 -0.00 0.00 0.00 32.58 32.83 2rnz s HIS 3 CO 0.16 -0.17 0.31 -1.58 -0.00 0.00 0.00 174.74 173.46 2rnz s HIS 4 N 0.18 3.31 -0.61 1.40 5.04 -1.26 -4.99 115.29 118.36 2rnz s HIS 4 Ca -0.00 -1.34 0.05 0.00 -1.54 0.00 0.00 55.06 52.23 2rnz s HIS 4 Cb -0.02 -3.06 0.19 0.00 0.04 0.00 0.00 32.58 29.73 2rnz s HIS 4 CO 0.00 -0.84 0.51 0.72 -2.34 0.00 0.00 174.74 172.80 2rnz n HIS 5 N 5.02 2.13 -2.49 3.88 8.25 -1.26 -5.09 115.22 125.66 2rnz n HIS 5 Ca -0.11 -4.01 -0.41 0.00 -0.26 0.00 0.00 57.72 52.93 2rnz n HIS 5 Cb 0.43 -0.40 -0.04 0.00 1.12 0.00 0.00 29.99 31.11 2rnz n HIS 5 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2rnz s SER 6 N -1.31 7.20 -1.10 0.41 0.15 -1.26 -4.98 113.70 112.81 2rnz s SER 6 Ca 0.30 2.05 -0.08 0.00 0.70 0.00 0.00 55.95 58.93 2rnz s SER 6 Cb 0.03 -2.59 0.28 0.00 -1.71 0.00 0.00 66.02 62.03 2rnz s SER 6 CO -0.14 -0.31 1.19 -1.54 1.20 0.00 0.00 173.24 173.63 2rnz n SER 7 N 2.93 5.67 0.00 5.45 3.41 -1.26 -4.97 113.62 124.85 2rnz n SER 7 Ca 0.05 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.53 2rnz n SER 7 Cb 0.46 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 2rnz n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rnz n GLY 8 N 2.35 3.94 1.47 5.00 0.00 -1.26 -5.13 105.19 111.56 2rnz n GLY 8 Ca 0.24 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 0.04 -4.73 0.99 4.77 -1.26 -5.09 117.00 111.72 2rnz n LEU 9 Ca 0.00 0.03 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 2rnz n LEU 9 Cb 0.00 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 2rnz n LEU 9 CO 0.00 -0.52 0.78 0.68 -1.33 0.00 0.00 177.39 176.99 2rnz s VAL 10 N -1.08 2.49 0.94 4.08 -7.23 -1.26 -5.01 120.40 113.33 2rnz s VAL 10 Ca 0.00 0.23 -0.12 0.00 -1.81 0.00 0.00 61.98 60.28 2rnz s VAL 10 Cb 0.00 -2.74 0.15 0.00 0.56 0.00 0.00 36.38 34.35 2rnz s VAL 10 CO 0.00 -0.14 1.09 -2.16 -0.31 0.00 0.00 175.10 173.58 2rnz s PRO 11 N -4.03 0.93 0.01 4.82 0.04 -1.26 -5.05 135.00 130.46 2rnz s PRO 11 Ca 0.72 0.70 0.01 0.00 0.04 0.00 0.00 61.00 62.47 2rnz s PRO 11 Cb -0.27 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 2rnz s PRO 11 CO 0.46 -2.44 -0.03 0.50 0.04 0.00 0.00 177.00 175.53 2rnz s ARG 12 N -4.95 0.25 0.29 4.56 3.00 -1.26 -5.05 118.95 115.80 2rnz s ARG 12 Ca 0.64 -0.30 0.00 0.00 -1.00 0.00 0.00 55.73 55.08 2rnz s ARG 12 Cb -0.18 -0.12 0.00 0.00 0.00 0.00 0.00 34.95 34.65 2rnz s ARG 12 CO 0.57 0.02 0.00 0.41 0.00 0.00 0.00 175.30 176.31 2rnz n GLY 13 N 2.48 -0.41 2.34 8.12 0.00 -1.26 -5.03 105.19 111.42 2rnz n GLY 13 Ca -0.16 0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 2rnz n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rnz n SER 14 N -3.42 -5.18 0.00 1.61 2.88 -1.26 -4.83 113.62 103.42 2rnz n SER 14 Ca 0.00 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2rnz n SER 14 Cb 0.00 -4.26 0.00 0.00 -0.75 0.00 0.00 64.21 59.20 2rnz n SER 14 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2rnz n HIS 15 N -4.00 0.00 -3.48 0.66 8.25 -1.26 -5.14 115.22 110.25 2rnz n HIS 15 Ca -0.21 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.03 2rnz n HIS 15 Cb 0.66 0.30 0.01 0.00 1.12 0.00 0.00 29.99 32.07 2rnz n HIS 15 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2rnz s MET 16 N -0.93 2.39 -0.02 -0.41 -1.94 -1.26 -5.14 119.30 112.00 2rnz s MET 16 Ca 0.00 -1.71 -0.00 0.00 -1.71 0.00 0.00 55.69 52.27 2rnz s MET 16 Cb 0.00 -2.39 0.03 0.00 2.01 0.00 0.00 34.83 34.48 2rnz s MET 16 CO 0.00 -0.54 0.03 -1.12 -0.01 0.00 0.00 175.02 173.38 2rnz s SER 17 N -4.35 0.08 0.11 3.03 0.01 -1.26 -4.98 113.70 106.34 2rnz s SER 17 Ca 0.48 0.05 0.14 0.00 1.31 0.00 0.00 55.95 57.93 2rnz s SER 17 Cb -0.04 -0.07 -0.11 0.00 0.21 0.00 0.00 66.02 66.02 2rnz s SER 17 CO 0.29 -0.13 1.02 0.58 0.41 0.00 0.00 173.24 175.41 2rnz h VAL 18 N 6.30 0.81 0.00 3.43 2.07 -2.00 -3.28 116.25 123.57 2rnz h VAL 18 Ca -0.45 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 64.72 2rnz h VAL 18 Cb 1.12 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 2rnz h VAL 18 CO 0.47 0.46 0.00 -0.67 0.02 0.00 0.00 177.57 177.85 2rnz n ASP 19 N -3.06 0.20 -1.99 0.57 2.03 -1.26 -1.94 116.55 111.09 2rnz n ASP 19 Ca -0.06 0.56 -0.07 0.00 0.52 0.00 0.00 54.79 55.74 2rnz n ASP 19 Cb 0.86 -0.59 0.29 0.00 -0.72 0.00 0.00 41.12 40.96 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 -1.72 4.74 -4.86 1.67 2.03 -1.24 -4.94 116.55 112.23 2rnz n ASP 20 Ca 0.02 -3.18 -0.35 0.00 0.52 0.00 0.00 54.79 51.80 2rnz n ASP 20 Cb 0.15 -0.74 -0.06 0.00 -0.72 0.00 0.00 41.12 39.75 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 -2.90 5.27 0.44 5.18 1.01 -0.82 -5.08 121.20 124.30 2rnz s ILE 21 Ca 0.53 -0.06 -0.07 0.00 0.00 0.00 0.00 60.65 61.05 2rnz s ILE 21 Cb 0.43 -3.37 0.10 0.00 0.01 0.00 0.00 42.46 39.63 2rnz s ILE 21 CO 0.13 0.47 0.55 2.30 0.00 0.00 0.00 174.94 178.39 2rnz n ILE 22 N 1.49 0.00 -3.97 2.92 -5.35 -1.26 -5.07 119.36 108.11 2rnz n ILE 22 Ca -0.15 -0.39 -0.29 0.00 -0.27 0.00 0.00 62.75 61.65 2rnz n ILE 22 Cb 0.54 -1.68 -0.05 0.00 -1.74 0.00 0.00 39.64 36.71 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 -2.18 5.08 -1.80 7.28 -1.09 -1.26 -4.34 121.20 122.89 2rnz s ILE 23 Ca 0.32 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 2rnz s ILE 23 Cb -0.01 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 2rnz s ILE 23 CO 0.23 0.06 0.00 0.29 -1.23 0.00 0.00 174.94 174.29 2rnz n LYS 24 N 0.09 -1.23 -2.45 2.79 5.02 0.88 -4.95 118.16 118.30 2rnz n LYS 24 Ca -0.07 1.07 -0.29 0.00 -2.02 0.00 0.00 58.31 57.00 2rnz n LYS 24 Cb 0.52 -5.34 -0.01 0.00 -0.02 0.00 0.00 35.03 30.18 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 -4.61 3.76 -0.13 0.00 -2.07 -1.26 -0.34 119.66 115.02 2rnz s GLN 26 Ca 0.51 0.12 0.02 0.00 -1.82 0.00 0.00 55.36 54.19 2rnz s GLN 26 Cb -0.10 -3.77 0.00 0.00 -1.09 0.00 0.00 33.01 28.04 2rnz s GLN 26 CO 0.43 -0.65 -0.20 0.00 -1.32 0.00 0.00 175.29 173.56 2rnz s TRP 28 N 0.56 3.19 -0.37 0.00 0.52 -1.26 -1.36 118.94 120.22 2rnz s TRP 28 Ca -0.12 1.16 -0.14 0.00 0.02 0.00 0.00 56.10 57.02 2rnz s TRP 28 Cb -0.16 -3.47 -0.00 0.00 -1.15 0.00 0.00 33.47 28.69 2rnz s TRP 28 CO 0.04 -1.52 0.27 0.08 0.02 0.00 0.00 176.95 175.84 2rnz s VAL 29 N 1.98 5.27 -0.55 4.03 1.01 0.90 -3.84 120.40 129.20 2rnz s VAL 29 Ca 0.58 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.98 2rnz s VAL 29 Cb -0.27 -3.80 0.06 0.00 0.00 0.00 0.00 36.38 32.37 2rnz s VAL 29 CO 0.24 -0.12 0.79 -1.10 0.00 0.00 0.00 175.10 174.91 2rnz s GLN 30 N 1.73 3.19 0.76 2.72 -0.21 -1.25 -1.40 119.66 125.20 2rnz s GLN 30 Ca 0.06 -0.69 -0.12 0.00 0.02 0.00 0.00 55.36 54.64 2rnz s GLN 30 Cb -0.18 -4.11 0.05 0.00 1.00 0.00 0.00 33.01 29.77 2rnz s GLN 30 CO 0.10 -1.42 1.11 0.15 -2.12 0.00 0.00 175.29 173.11 2rnz s LYS 31 N 3.30 2.38 0.21 2.91 -0.14 0.62 -4.93 119.74 124.07 2rnz s LYS 31 Ca 0.21 0.48 -0.11 0.00 -1.36 0.00 0.00 55.97 55.19 2rnz s LYS 31 Cb -0.17 -1.96 0.28 0.00 -1.68 0.00 0.00 37.83 34.30 2rnz s LYS 31 CO 0.14 -1.38 1.68 -0.97 -0.76 0.00 0.00 175.35 174.06 2rnz h ASN 32 N -0.91 -0.18 0.00 2.83 -1.24 -2.00 -3.21 115.58 110.88 2rnz h ASN 32 Ca -0.46 0.13 -0.01 0.00 0.71 0.00 0.00 56.30 56.67 2rnz h ASN 32 Cb 1.27 0.22 -0.03 0.00 0.73 0.00 0.00 38.32 40.52 2rnz h ASN 32 CO 0.62 -0.07 -0.44 0.47 -1.29 0.00 0.00 177.43 176.72 2rnz n ASP 33 N -5.23 0.57 -4.10 1.15 8.00 -1.26 -5.09 116.55 110.59 2rnz n ASP 33 Ca 0.08 -2.25 -0.13 0.00 0.71 0.00 0.00 54.79 53.20 2rnz n ASP 33 Cb 0.33 -0.26 -0.10 0.00 -0.02 0.00 0.00 41.12 41.08 2rnz n ASP 33 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2rnz s GLU 34 N -0.64 1.27 -0.04 -1.24 2.02 -1.21 -5.16 118.70 113.70 2rnz s GLU 34 Ca 0.09 -1.66 -0.02 0.00 0.02 0.00 0.00 54.97 53.40 2rnz s GLU 34 Cb 0.09 0.28 0.03 0.00 0.10 0.00 0.00 34.13 34.63 2rnz s GLU 34 CO -0.01 -0.42 0.06 -1.21 0.02 0.00 0.00 175.26 173.70 2rnz s GLU 35 N -4.08 -0.07 0.35 1.61 2.02 -1.26 -0.28 118.70 116.99 2rnz s GLU 35 Ca 0.39 0.36 0.07 0.00 0.02 0.00 0.00 54.97 55.81 2rnz s GLU 35 Cb 0.06 -0.47 -0.03 0.00 0.10 0.00 0.00 34.13 33.80 2rnz s GLU 35 CO 0.14 -0.31 0.26 1.03 0.02 0.00 0.00 175.26 176.40 2rnz s ARG 36 N 2.02 1.82 -0.01 1.61 0.52 -0.49 -4.98 118.95 119.45 2rnz s ARG 36 Ca 0.03 -2.08 0.02 0.00 -0.52 0.00 0.00 55.73 53.18 2rnz s ARG 36 Cb -0.12 0.15 -0.00 0.00 0.52 0.00 0.00 34.95 35.49 2rnz s ARG 36 CO -0.03 -0.64 -0.07 -1.17 0.02 0.00 0.00 175.30 173.42 2rnz s LEU 37 N -3.43 2.00 0.13 2.53 2.96 -1.26 -0.07 118.68 121.53 2rnz s LEU 37 Ca 0.37 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 2rnz s LEU 37 Cb 0.02 -0.34 -0.04 0.00 0.50 0.00 0.00 46.19 46.33 2rnz s LEU 37 CO 0.26 0.08 0.05 0.00 -1.32 0.00 0.00 176.35 175.42 2rnz s ALA 38 N -0.14 0.84 0.31 5.97 0.00 -0.46 -4.57 121.76 123.71 2rnz s ALA 38 Ca 0.02 -1.46 0.06 0.00 0.00 0.00 0.00 51.96 50.59 2rnz s ALA 38 Cb -0.03 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 2rnz s ALA 38 CO -0.00 -0.48 0.45 -2.00 0.00 0.00 0.00 175.76 173.72 2rnz s GLU 39 N -4.04 3.19 -0.13 0.00 2.12 -0.31 -0.07 118.70 119.46 2rnz s GLU 39 Ca 0.23 -0.96 -0.09 0.00 0.36 0.00 0.00 54.97 54.52 2rnz s GLU 39 Cb 0.07 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 2rnz s GLU 39 CO 0.01 0.14 0.17 0.42 -0.54 0.00 0.00 175.26 175.46 2rnz s ILE 40 N -2.13 5.44 0.00 -3.70 -1.09 0.54 -1.38 121.20 118.88 2rnz s ILE 40 Ca 0.43 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 59.13 2rnz s ILE 40 Cb -0.09 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 2rnz s ILE 40 CO 0.31 0.57 0.00 0.18 -1.23 0.00 0.00 174.94 174.77 2rnz n LEU 41 N 2.35 0.00 -4.20 2.97 4.32 -0.20 -0.09 117.00 122.15 2rnz n LEU 41 Ca -0.18 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.67 2rnz n LEU 41 Cb 0.54 -0.25 -0.09 0.00 -1.62 0.00 0.00 43.42 42.00 2rnz n LEU 41 CO 0.33 -0.42 -0.18 -0.55 -1.22 0.00 0.00 177.39 175.35 2rnz s SER 42 N -3.69 0.45 0.04 -1.43 0.15 -1.26 -4.55 113.70 103.41 2rnz s SER 42 Ca 0.00 -1.44 0.05 0.00 0.70 0.00 0.00 55.95 55.26 2rnz s SER 42 Cb 0.00 0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 64.72 2rnz s SER 42 CO 0.00 -0.91 -0.15 -0.63 1.20 0.00 0.00 173.24 172.75 2rnz s ILE 43 N -3.99 1.16 0.12 6.45 1.01 -1.26 -1.54 121.20 123.14 2rnz s ILE 43 Ca 0.38 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 60.07 2rnz s ILE 43 Cb 0.06 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 2rnz s ILE 43 CO 0.15 0.03 0.06 0.21 0.00 0.00 0.00 174.94 175.38 2rnz s ASN 44 N -1.13 5.26 -0.02 3.58 3.84 -0.53 -5.00 114.94 120.95 2rnz s ASN 44 Ca 0.02 -0.15 0.24 0.00 0.21 0.00 0.00 52.86 53.18 2rnz s ASN 44 Cb -0.08 -1.32 0.42 0.00 -0.55 0.00 0.00 41.25 39.72 2rnz s ASN 44 CO 0.01 0.14 1.17 0.35 -2.79 0.00 0.00 177.10 175.98 2rnz n THR 45 N 0.22 0.18 -0.05 -5.21 -2.24 -1.26 -3.44 114.28 102.47 2rnz n THR 45 Ca -0.09 -1.14 -0.13 0.00 -2.27 0.00 0.00 64.05 60.41 2rnz n THR 45 Cb 0.53 0.88 -0.11 0.00 -2.10 0.00 0.00 70.33 69.53 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 0.97 -0.02 -4.43 -0.78 2.43 -1.95 -3.48 114.38 107.12 2rnz h ARG 46 Ca -0.20 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.78 2rnz h ARG 46 Cb 1.81 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 31.20 2rnz h ARG 46 CO 0.09 0.77 -0.70 0.15 -1.51 0.00 0.00 179.97 178.77 2rnz s LYS 47 N -2.73 0.66 -0.03 0.20 -0.14 -1.26 -5.16 119.74 111.28 2rnz s LYS 47 Ca -0.17 -1.14 -0.04 0.00 -1.36 0.00 0.00 55.97 53.27 2rnz s LYS 47 Cb -0.02 -0.04 -0.04 0.00 -1.68 0.00 0.00 37.83 36.05 2rnz s LYS 47 CO 0.63 -0.04 0.18 0.00 -0.76 0.00 0.00 175.35 175.36 2rnz s ALA 48 N -3.17 3.94 0.96 5.17 0.00 -1.26 -3.71 121.76 123.68 2rnz s ALA 48 Ca 0.04 -0.74 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 2rnz s ALA 48 Cb 0.02 -1.90 0.16 0.00 0.00 0.00 0.00 23.12 21.40 2rnz s ALA 48 CO -0.05 0.72 1.09 -1.25 0.00 0.00 0.00 175.76 176.27 2rnz s PRO 49 N -1.79 0.78 0.51 0.00 0.04 -1.26 -4.84 135.00 128.44 2rnz s PRO 49 Ca 0.25 0.65 -0.21 0.00 0.04 0.00 0.00 61.00 61.74 2rnz s PRO 49 Cb -0.13 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 2rnz s PRO 49 CO 0.16 -2.53 1.14 -1.25 0.04 0.00 0.00 177.00 174.57 2rnz s PRO 50 N -4.95 3.50 0.18 0.56 0.04 -1.24 -4.99 135.00 128.08 2rnz s PRO 50 Ca 0.64 1.66 0.04 0.00 0.04 0.00 0.00 61.00 63.38 2rnz s PRO 50 Cb -0.18 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 2rnz s PRO 50 CO 0.57 -0.74 0.27 0.15 0.04 0.00 0.00 177.00 177.29 2rnz s LYS 51 N -3.09 3.31 -0.07 4.56 -0.14 -1.22 -4.17 119.74 118.91 2rnz s LYS 51 Ca 0.70 -0.71 -0.03 0.00 -1.36 0.00 0.00 55.97 54.56 2rnz s LYS 51 Cb -0.25 -2.86 0.04 0.00 -1.68 0.00 0.00 37.83 33.07 2rnz s LYS 51 CO 0.29 0.49 0.15 -0.06 -0.76 0.00 0.00 175.35 175.46 2rnz s PHE 52 N -1.82 -0.18 -0.23 3.18 0.40 -0.43 -1.45 117.98 117.45 2rnz s PHE 52 Ca 0.34 0.53 -0.25 0.00 -0.60 0.00 0.00 56.93 56.95 2rnz s PHE 52 Cb -0.10 -0.12 -0.01 0.00 0.51 0.00 0.00 43.02 43.31 2rnz s PHE 52 CO 0.27 -0.19 0.83 0.71 0.70 0.00 0.00 175.22 177.54 2rnz s TYR 53 N 1.42 3.33 0.02 0.36 2.02 -0.59 -1.47 117.35 122.45 2rnz s TYR 53 Ca -0.07 1.16 0.04 0.00 -0.37 0.00 0.00 57.07 57.84 2rnz s TYR 53 Cb -0.12 -3.05 -0.03 0.00 -0.40 0.00 0.00 41.96 38.36 2rnz s TYR 53 CO -0.06 -0.37 -0.07 0.14 -1.57 0.00 0.00 175.55 173.62 2rnz s VAL 54 N 2.72 3.62 0.08 0.71 -7.23 0.52 -1.03 120.40 119.79 2rnz s VAL 54 Ca 0.36 -0.87 0.09 0.00 -1.81 0.00 0.00 61.98 59.75 2rnz s VAL 54 Cb -0.15 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 2rnz s VAL 54 CO 0.08 0.33 -0.23 -2.28 -0.31 0.00 0.00 175.10 172.70 2rnz s HIS 55 N -1.05 1.95 -0.14 2.82 2.46 -0.48 -1.74 115.29 119.12 2rnz s HIS 55 Ca 0.18 -0.40 -0.08 0.00 0.47 0.00 0.00 55.06 55.24 2rnz s HIS 55 Cb -0.11 -1.11 -0.04 0.00 -0.13 0.00 0.00 32.58 31.18 2rnz s HIS 55 CO 0.09 0.18 0.15 0.71 -2.47 0.00 0.00 174.74 173.40 2rnz s TYR 56 N -0.98 3.55 0.24 3.88 1.51 -1.26 -1.16 117.35 123.13 2rnz s TYR 56 Ca 0.09 0.50 0.34 0.00 -1.01 0.00 0.00 57.07 56.99 2rnz s TYR 56 Cb -0.10 -2.01 1.81 0.00 -0.11 0.00 0.00 41.96 41.55 2rnz s TYR 56 CO 0.03 0.62 2.05 -0.39 -1.11 0.00 0.00 175.55 176.75 2rnz h VAL 57 N 4.16 0.00 -3.24 0.71 -1.51 -1.93 -3.44 116.25 110.99 2rnz h VAL 57 Ca -0.51 -0.06 -0.56 0.00 -1.23 0.00 0.00 66.70 64.33 2rnz h VAL 57 Cb 1.21 0.87 0.19 0.00 -2.13 0.00 0.00 31.29 31.42 2rnz h VAL 57 CO 0.63 0.00 -0.36 -0.46 -1.23 0.00 0.00 177.57 176.15 2rnz n ASN 58 N -2.74 -1.05 -0.13 4.19 2.04 -1.26 -4.87 115.26 111.43 2rnz n ASN 58 Ca -0.02 0.61 -0.04 0.00 -0.44 0.00 0.00 54.58 54.69 2rnz n ASN 58 Cb 0.09 -1.23 0.03 0.00 -2.53 0.00 0.00 39.78 36.14 2rnz n ASN 58 CO 0.00 0.00 0.00 1.88 -0.44 0.00 0.00 177.26 178.70 2rnz h TYR 59 N -0.33 -0.14 -1.55 -2.53 -1.99 -2.06 -3.40 116.97 104.97 2rnz h TYR 59 Ca -0.46 0.04 -0.67 0.00 2.00 0.00 0.00 58.73 59.64 2rnz h TYR 59 Cb 1.35 0.13 0.00 0.00 2.00 0.00 0.00 36.73 40.21 2rnz h TYR 59 CO 0.35 -0.15 1.19 -1.71 -0.00 0.00 0.00 178.16 177.84 2rnz n ASN 60 N -5.27 2.68 0.04 3.88 4.05 -1.26 -4.84 115.26 114.55 2rnz n ASN 60 Ca 0.03 0.76 -0.09 0.00 0.45 0.00 0.00 54.58 55.72 2rnz n ASN 60 Cb 0.23 -1.28 -0.13 0.00 1.23 0.00 0.00 39.78 39.83 2rnz n ASN 60 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 2rnz h LYS 61 N 10.15 0.06 -0.02 1.20 3.64 -1.92 -3.27 116.57 126.40 2rnz h LYS 61 Ca -0.40 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 58.89 2rnz h LYS 61 Cb 1.30 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2rnz h LYS 61 CO 0.98 0.91 0.04 0.07 -2.27 0.00 0.00 179.45 179.18 2rnz h ARG 62 N 0.02 0.00 -0.20 1.90 -0.00 -1.96 -1.31 114.38 112.83 2rnz h ARG 62 Ca -0.12 0.00 0.06 0.00 -0.00 0.00 0.00 59.98 59.92 2rnz h ARG 62 Cb 1.88 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.84 2rnz h ARG 62 CO 0.13 0.00 0.24 -0.07 -0.00 0.00 0.00 179.97 180.27 2rnz h LEU 63 N 0.00 0.00 -8.54 0.08 -0.00 -1.96 -3.41 115.31 101.48 2rnz h LEU 63 Ca 0.01 0.00 -0.64 0.00 -0.00 0.00 0.00 57.88 57.25 2rnz h LEU 63 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.74 2rnz h LEU 63 CO -0.00 0.00 1.46 -0.67 -0.00 0.00 0.00 178.44 179.23 2rnz n ASP 64 N -3.71 2.11 -2.82 -0.43 2.03 -0.49 -4.74 116.55 108.50 2rnz n ASP 64 Ca 0.02 0.30 -0.13 0.00 0.52 0.00 0.00 54.79 55.50 2rnz n ASP 64 Cb 0.37 -1.29 -0.03 0.00 -0.72 0.00 0.00 41.12 39.44 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 8.33 0.93 -4.33 -0.67 0.28 -0.71 -5.00 120.64 119.47 2rnz n GLU 65 Ca 0.42 -1.71 -0.21 0.00 -0.16 0.00 0.00 57.16 55.49 2rnz n GLU 65 Cb 0.26 0.80 -0.13 0.00 1.43 0.00 0.00 31.44 33.80 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 -2.18 1.40 0.35 -1.84 1.48 -1.26 -0.36 118.94 116.53 2rnz s TRP 66 Ca 0.07 -0.39 0.03 0.00 -1.06 0.00 0.00 56.10 54.75 2rnz s TRP 66 Cb 0.00 -0.81 -0.01 0.00 -1.16 0.00 0.00 33.47 31.50 2rnz s TRP 66 CO 0.05 0.08 0.40 0.96 -4.06 0.00 0.00 176.95 174.38 2rnz s ILE 67 N -1.00 0.00 0.11 0.66 -4.36 -0.54 -4.94 121.20 111.13 2rnz s ILE 67 Ca 0.02 -1.78 0.02 0.00 -0.26 0.00 0.00 60.65 58.65 2rnz s ILE 67 Cb -0.09 -2.61 0.02 0.00 1.25 0.00 0.00 42.46 41.03 2rnz s ILE 67 CO 0.02 0.00 0.15 0.35 0.24 0.00 0.00 174.94 175.70 2rnz n THR 68 N -0.62 0.00 0.17 8.37 -2.24 -1.26 -1.31 114.28 117.38 2rnz n THR 68 Ca 0.04 -0.37 0.06 0.00 -2.27 0.00 0.00 64.05 61.50 2rnz n THR 68 Cb 0.62 -0.86 0.10 0.00 -2.10 0.00 0.00 70.33 68.08 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 0.07 0.59 0.00 4.28 1.03 -1.87 -2.93 112.91 114.08 2rnz h THR 69 Ca -0.05 -1.79 -0.01 0.00 -0.01 0.00 0.00 66.41 64.55 2rnz h THR 69 Cb 0.24 2.26 -0.00 0.00 -1.07 0.00 0.00 68.15 69.58 2rnz h THR 69 CO 0.08 0.33 -0.03 0.44 -0.01 0.00 0.00 175.52 176.33 2rnz h ASP 70 N 0.00 0.00 0.00 0.00 3.32 -1.95 -1.88 116.42 115.91 2rnz h ASP 70 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2rnz h ASP 70 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2rnz h ASP 70 CO 0.04 0.03 -1.21 0.54 -1.72 0.00 0.00 179.24 176.92 2rnz n ARG 71 N -3.66 1.27 -3.87 3.56 5.12 -1.21 -4.96 116.66 112.91 2rnz n ARG 71 Ca -0.03 -0.07 -0.37 0.00 -1.93 0.00 0.00 57.85 55.45 2rnz n ARG 71 Cb 0.12 -1.28 -0.06 0.00 -1.16 0.00 0.00 32.46 30.08 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 -2.73 5.50 -0.01 0.55 1.01 -0.71 -3.93 121.20 120.88 2rnz s ILE 72 Ca -0.00 0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.91 2rnz s ILE 72 Cb 0.10 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 2rnz s ILE 72 CO 0.62 0.62 -0.14 0.21 0.00 0.00 0.00 174.94 176.24 2rnz s ASN 73 N -1.00 1.67 1.36 3.58 3.84 -1.25 -4.79 114.94 118.35 2rnz s ASN 73 Ca 0.15 -0.26 -0.21 0.00 0.21 0.00 0.00 52.86 52.75 2rnz s ASN 73 Cb -0.12 -0.20 0.33 0.00 -0.55 0.00 0.00 41.25 40.72 2rnz s ASN 73 CO 0.04 0.17 0.76 0.18 -2.79 0.00 0.00 177.10 175.47 2rnz n LEU 74 N 2.75 -0.62 -0.01 3.21 7.99 -1.26 -4.28 117.00 124.78 2rnz n LEU 74 Ca -0.14 -0.72 -0.01 0.00 -0.01 0.00 0.00 56.01 55.12 2rnz n LEU 74 Cb 0.55 -0.97 -0.01 0.00 -0.11 0.00 0.00 43.42 42.88 2rnz n LEU 74 CO 0.24 -4.25 -0.55 0.47 -1.51 0.00 0.00 177.39 171.80 2rnz n ASP 75 N -4.74 4.50 -4.38 -1.43 9.92 -1.26 -4.75 116.55 114.41 2rnz n ASP 75 Ca 0.11 -0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.04 2rnz n ASP 75 Cb 0.54 0.42 0.13 0.00 -0.64 0.00 0.00 41.12 41.56 2rnz n ASP 75 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2rnz n LYS 76 N -2.16 -0.56 -2.10 -1.24 2.85 -1.26 -4.88 118.16 108.81 2rnz n LYS 76 Ca -0.02 -0.13 -0.41 0.00 -1.05 0.00 0.00 58.31 56.70 2rnz n LYS 76 Cb 0.54 -1.80 -0.02 0.00 -0.65 0.00 0.00 35.03 33.09 2rnz n LYS 76 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2rnz s GLU 77 N -3.56 4.33 0.05 -1.58 -1.05 -1.26 -5.03 118.70 110.61 2rnz s GLU 77 Ca 0.56 2.22 -0.00 0.00 -0.15 0.00 0.00 54.97 57.60 2rnz s GLU 77 Cb -0.19 -3.10 -0.04 0.00 -0.44 0.00 0.00 34.13 30.36 2rnz s GLU 77 CO 0.68 -0.27 -0.04 0.14 0.95 0.00 0.00 175.26 176.72 2rnz s VAL 78 N -0.58 0.30 -0.78 1.83 -7.23 -1.26 -5.11 120.40 107.56 2rnz s VAL 78 Ca 0.53 -1.66 -0.15 0.00 -1.81 0.00 0.00 61.98 58.89 2rnz s VAL 78 Cb -0.40 -1.31 0.18 0.00 0.56 0.00 0.00 36.38 35.41 2rnz s VAL 78 CO 0.47 -0.88 0.78 -0.76 -0.31 0.00 0.00 175.10 174.41 2rnz s LEU 79 N -2.66 6.29 -0.77 1.32 1.43 -1.26 -4.98 118.68 118.05 2rnz s LEU 79 Ca 0.04 -2.35 -0.04 0.00 -1.03 0.00 0.00 54.13 50.74 2rnz s LEU 79 Cb 0.04 -2.25 0.20 0.00 0.03 0.00 0.00 46.19 44.21 2rnz s LEU 79 CO -0.07 -0.74 0.64 -0.31 0.23 0.00 0.00 176.35 176.10 2rnz s TYR 80 N 0.98 3.67 -1.16 0.29 1.51 -1.26 -5.01 117.35 116.37 2rnz s TYR 80 Ca 0.18 -2.76 -0.23 0.00 -1.01 0.00 0.00 57.07 53.25 2rnz s TYR 80 Cb -0.13 -3.31 -0.08 0.00 -0.11 0.00 0.00 41.96 38.32 2rnz s TYR 80 CO -0.06 -0.82 1.93 -1.25 -1.11 0.00 0.00 175.55 174.25 2rnz s PRO 81 N -0.61 2.50 1.09 -1.71 0.04 -1.26 -4.95 135.00 130.11 2rnz s PRO 81 Ca 0.22 -1.10 -0.19 0.00 0.04 0.00 0.00 61.00 59.97 2rnz s PRO 81 Cb -0.13 -5.23 0.08 0.00 0.04 0.00 0.00 34.50 29.25 2rnz s PRO 81 CO -0.08 -3.93 -0.05 0.36 0.04 0.00 0.00 177.00 173.34 2rnz n LYS 82 N 8.33 -1.35 -4.54 4.56 0.00 -1.26 -5.03 118.16 118.87 2rnz n LYS 82 Ca 0.44 -0.38 -0.26 0.00 -0.00 0.00 0.00 58.31 58.12 2rnz n LYS 82 Cb 0.47 -1.67 -0.10 0.00 -0.00 0.00 0.00 35.03 33.72 2rnz n LYS 82 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2rnz s LEU 83 N -0.64 2.72 -1.08 -5.58 2.96 -1.26 -5.08 118.68 110.72 2rnz s LEU 83 Ca 0.55 -1.19 -0.13 0.00 -0.22 0.00 0.00 54.13 53.14 2rnz s LEU 83 Cb -0.12 -1.00 0.21 0.00 0.50 0.00 0.00 46.19 45.78 2rnz s LEU 83 CO 0.66 -0.19 1.18 -0.54 -1.32 0.00 0.00 176.35 176.15 2rnz s LYS 84 N -3.61 4.00 -0.01 1.98 -0.14 -1.26 -4.98 119.74 115.72 2rnz s LYS 84 Ca 0.32 -2.68 0.02 0.00 -1.36 0.00 0.00 55.97 52.27 2rnz s LYS 84 Cb 0.02 -4.78 -0.00 0.00 -1.68 0.00 0.00 37.83 31.39 2rnz s LYS 84 CO 0.16 -1.51 -0.07 0.00 -0.76 0.00 0.00 175.35 173.17 2rnz s ALA 85 N 0.52 0.59 -0.04 5.17 0.00 -1.26 -5.14 121.76 121.61 2rnz s ALA 85 Ca 0.34 -0.29 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 2rnz s ALA 85 Cb -0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 2rnz s ALA 85 CO -0.05 0.13 0.50 0.99 0.00 0.00 0.00 175.76 177.32 2rnz s THR 86 N -0.09 5.03 -0.49 0.00 2.01 -1.26 -5.02 115.64 115.82 2rnz s THR 86 Ca 0.02 1.02 0.07 0.00 0.31 0.00 0.00 61.69 63.11 2rnz s THR 86 Cb -0.04 -3.82 0.26 0.00 0.01 0.00 0.00 72.50 68.91 2rnz s THR 86 CO -0.00 0.44 0.64 -0.67 -0.69 0.00 0.00 174.62 174.33 2rnz n ASP 87 N 2.74 1.69 -3.93 3.53 2.03 -1.26 -5.08 116.55 116.28 2rnz n ASP 87 Ca -0.09 -3.03 -0.09 0.00 0.52 0.00 0.00 54.79 52.10 2rnz n ASP 87 Cb 0.52 -0.65 -0.09 0.00 -0.72 0.00 0.00 41.12 40.18 2rnz n ASP 87 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2rnz s GLU 88 N -1.83 0.68 0.00 -0.67 2.02 -1.26 -5.32 118.70 112.31 2rnz s GLU 88 Ca 0.38 -0.89 0.12 0.00 0.02 0.00 0.00 54.97 54.59 2rnz s GLU 88 Cb 0.18 0.27 0.09 0.00 0.10 0.00 0.00 34.13 34.77 2rnz s GLU 88 CO -0.07 -0.18 0.87 -3.47 0.02 0.00 0.00 175.26 172.42