#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 3.52 3.83 3.17 0.00 -1.26 -5.17 105.19 109.28 2rnz n GLY -3 Ca 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.00 -0.05 0.15 1.61 0.15 -1.26 -5.15 113.70 109.14 2rnz s SER -2 Ca 0.00 -0.54 -0.27 0.00 0.70 0.00 0.00 55.95 55.84 2rnz s SER -2 Cb 0.00 0.46 -0.07 0.00 -1.71 0.00 0.00 66.02 64.70 2rnz s SER -2 CO 0.00 -0.89 0.83 -0.94 1.20 0.00 0.00 173.24 173.44 2rnz s SER -1 N -3.25 7.41 -0.03 5.45 1.04 -1.26 -5.06 113.70 118.00 2rnz s SER -1 Ca 0.19 1.68 -0.00 0.00 0.48 0.00 0.00 55.95 58.29 2rnz s SER -1 Cb -0.02 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.61 2rnz s SER -1 CO 0.04 0.12 0.02 -1.38 0.98 0.00 0.00 173.24 173.01 2rnz s HIS 0 N -0.76 0.23 -0.25 5.02 0.00 -1.26 -4.79 115.29 113.49 2rnz s HIS 0 Ca 0.39 0.06 -0.13 0.00 -3.00 0.00 0.00 55.06 52.37 2rnz s HIS 0 Cb -0.23 -0.40 0.08 0.00 -4.00 0.00 0.00 32.58 28.03 2rnz s HIS 0 CO 0.27 -0.14 0.60 -3.38 -1.00 0.00 0.00 174.74 171.09 2rnz s HIS 1 N 1.25 -0.97 -0.29 0.38 -0.00 -1.26 -4.92 115.29 109.48 2rnz s HIS 1 Ca -0.07 1.90 -0.19 0.00 -0.00 0.00 0.00 55.06 56.71 2rnz s HIS 1 Cb -0.13 0.54 0.16 0.00 -0.00 0.00 0.00 32.58 33.15 2rnz s HIS 1 CO -0.02 -0.50 1.12 -1.58 -0.00 0.00 0.00 174.74 173.76 2rnz s HIS 2 N 1.79 -0.36 0.00 0.38 2.46 -1.26 -4.89 115.29 113.41 2rnz s HIS 2 Ca -0.09 0.78 0.00 0.00 0.47 0.00 0.00 55.06 56.22 2rnz s HIS 2 Cb -0.07 0.30 0.00 0.00 -0.13 0.00 0.00 32.58 32.68 2rnz s HIS 2 CO -0.18 -0.18 0.00 0.72 -2.47 0.00 0.00 174.74 172.64 2rnz n HIS 3 N 2.95 0.00 -3.47 3.88 8.25 -1.26 -4.95 115.22 120.62 2rnz n HIS 3 Ca -0.16 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.09 2rnz n HIS 3 Cb 0.57 -0.26 0.07 0.00 1.12 0.00 0.00 29.99 31.49 2rnz n HIS 3 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2rnz n HIS 4 N -1.92 -2.55 -2.20 4.41 -0.00 -1.26 -4.93 115.22 106.77 2rnz n HIS 4 Ca 0.00 0.91 -0.42 0.00 0.46 0.00 0.00 57.72 58.66 2rnz n HIS 4 Cb 0.00 -4.61 -0.03 0.00 -0.12 0.00 0.00 29.99 25.23 2rnz n HIS 4 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2rnz s HIS 5 N -3.29 2.98 0.50 1.57 3.76 -1.26 -4.57 115.29 114.99 2rnz s HIS 5 Ca 0.50 0.86 0.02 0.00 -0.15 0.00 0.00 55.06 56.29 2rnz s HIS 5 Cb -0.22 -3.67 0.02 0.00 1.11 0.00 0.00 32.58 29.82 2rnz s HIS 5 CO 0.65 -2.45 0.20 0.43 -0.85 0.00 0.00 174.74 172.72 2rnz n SER 6 N 4.86 2.98 -3.83 1.40 7.64 -1.26 -5.12 113.62 120.29 2rnz n SER 6 Ca 0.13 -2.94 -0.09 0.00 1.01 0.00 0.00 58.87 56.98 2rnz n SER 6 Cb 0.43 0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 2rnz n SER 6 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2rnz s SER 7 N -3.84 -0.24 0.00 6.43 0.01 -1.26 -5.12 113.70 109.68 2rnz s SER 7 Ca 0.15 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.80 2rnz s SER 7 Cb -0.01 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.86 2rnz s SER 7 CO 0.10 -1.19 0.00 0.61 0.41 0.00 0.00 173.24 173.17 2rnz n GLY 8 N -0.40 0.40 1.48 3.44 0.00 -1.26 -4.94 105.19 103.92 2rnz n GLY 8 Ca -0.06 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 -4.73 0.99 7.94 -1.26 -5.01 117.00 114.93 2rnz n LEU 9 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 2rnz n LEU 9 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 2rnz n LEU 9 CO 0.00 -0.49 0.81 0.54 -1.11 0.00 0.00 177.39 177.14 2rnz s VAL 10 N -0.98 4.05 -0.44 1.96 0.11 -1.26 -4.65 120.40 119.19 2rnz s VAL 10 Ca 0.00 1.63 -0.28 0.00 -2.93 0.00 0.00 61.98 60.40 2rnz s VAL 10 Cb 0.00 -4.04 -0.01 0.00 -1.53 0.00 0.00 36.38 30.80 2rnz s VAL 10 CO 0.00 0.21 1.76 -2.16 -3.33 0.00 0.00 175.10 171.58 2rnz s PRO 11 N 0.26 3.14 -0.37 1.54 0.04 -1.26 -4.87 135.00 133.48 2rnz s PRO 11 Ca 0.53 1.07 0.12 0.00 0.04 0.00 0.00 61.00 62.76 2rnz s PRO 11 Cb -0.28 -4.23 0.36 0.00 0.04 0.00 0.00 34.50 30.39 2rnz s PRO 11 CO 0.32 -2.10 0.76 -2.13 0.04 0.00 0.00 177.00 173.89 2rnz n ARG 12 N 8.63 1.08 0.15 4.56 3.00 -1.26 -4.93 116.66 127.90 2rnz n ARG 12 Ca 0.21 -3.43 0.00 0.00 -0.00 0.00 0.00 57.85 54.63 2rnz n ARG 12 Cb 0.49 -1.68 0.00 0.00 0.00 0.00 0.00 32.46 31.27 2rnz n ARG 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2rnz n GLY 13 N 0.22 -1.52 3.35 5.14 0.00 -1.26 -5.05 105.19 106.08 2rnz n GLY 13 Ca 0.24 0.31 -0.33 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.17 -2.28 -1.89 1.61 2.88 -1.26 -4.88 113.62 104.63 2rnz n SER 14 Ca 0.00 0.14 -0.08 0.00 -1.33 0.00 0.00 58.87 57.60 2rnz n SER 14 Cb 0.00 -1.09 0.25 0.00 -0.75 0.00 0.00 64.21 62.61 2rnz n SER 14 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2rnz n HIS 15 N -3.92 2.24 -4.07 0.66 -0.00 -1.26 -4.93 115.22 103.94 2rnz n HIS 15 Ca 0.04 -1.16 -0.22 0.00 0.46 0.00 0.00 57.72 56.83 2rnz n HIS 15 Cb 0.57 -0.66 -0.05 0.00 -0.12 0.00 0.00 29.99 29.72 2rnz n HIS 15 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 2rnz s MET 16 N -2.68 2.54 -0.01 1.57 -1.94 -1.26 -5.10 119.30 112.42 2rnz s MET 16 Ca 0.48 -1.37 0.00 0.00 -1.71 0.00 0.00 55.69 53.09 2rnz s MET 16 Cb 0.39 -2.31 0.02 0.00 2.01 0.00 0.00 34.83 34.93 2rnz s MET 16 CO 0.11 0.21 0.02 -1.12 -0.01 0.00 0.00 175.02 174.23 2rnz s SER 17 N -3.85 0.05 0.40 3.03 0.01 -1.26 -5.03 113.70 107.05 2rnz s SER 17 Ca 0.36 0.02 0.09 0.00 1.31 0.00 0.00 55.95 57.74 2rnz s SER 17 Cb -0.05 -0.05 0.88 0.00 0.21 0.00 0.00 66.02 67.02 2rnz s SER 17 CO 0.23 -0.08 1.99 0.58 0.41 0.00 0.00 173.24 176.37 2rnz h VAL 18 N 5.87 0.98 0.00 3.43 2.07 -2.00 0.98 116.25 127.58 2rnz h VAL 18 Ca -0.38 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2rnz h VAL 18 Cb 1.15 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2rnz h VAL 18 CO 0.49 0.11 0.00 -0.78 0.02 0.00 0.00 177.57 177.41 2rnz h ASP 19 N 0.58 0.00 -0.75 0.57 3.58 -2.04 -0.70 116.42 117.66 2rnz h ASP 19 Ca 0.27 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.50 2rnz h ASP 19 Cb 0.32 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 41.24 2rnz h ASP 19 CO -0.08 0.00 0.28 -0.67 -2.88 0.00 0.00 179.24 175.89 2rnz n ASP 20 N -2.57 4.83 -4.55 2.28 2.03 0.34 -4.92 116.55 113.98 2rnz n ASP 20 Ca -0.01 -3.21 -0.34 0.00 0.52 0.00 0.00 54.79 51.75 2rnz n ASP 20 Cb 0.10 -0.75 -0.12 0.00 -0.72 0.00 0.00 41.12 39.63 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 -2.96 3.63 0.21 5.18 1.01 -0.27 -4.96 121.20 123.05 2rnz s ILE 21 Ca 0.55 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.73 2rnz s ILE 21 Cb 0.44 -2.49 0.03 0.00 0.01 0.00 0.00 42.46 40.45 2rnz s ILE 21 CO 0.14 0.58 0.26 2.30 0.00 0.00 0.00 174.94 178.22 2rnz n ILE 22 N 2.42 0.00 -3.93 2.92 -5.35 -1.26 -5.08 119.36 109.07 2rnz n ILE 22 Ca -0.18 -0.72 -0.30 0.00 -0.27 0.00 0.00 62.75 61.28 2rnz n ILE 22 Cb 0.53 -0.72 -0.04 0.00 -1.74 0.00 0.00 39.64 37.67 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 -0.45 5.33 -1.41 7.28 -1.09 -1.26 -4.40 121.20 125.20 2rnz s ILE 23 Ca 0.20 -0.46 -0.05 0.00 -2.23 0.00 0.00 60.65 58.11 2rnz s ILE 23 Cb -0.02 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.25 2rnz s ILE 23 CO 0.13 0.10 0.70 0.29 -1.23 0.00 0.00 174.94 174.92 2rnz n LYS 24 N 0.17 -5.25 -3.89 2.79 4.76 0.89 -4.99 118.16 112.63 2rnz n LYS 24 Ca -0.05 0.83 -0.30 0.00 -2.87 0.00 0.00 58.31 55.91 2rnz n LYS 24 Cb 0.51 -5.60 -0.04 0.00 -1.84 0.00 0.00 35.03 28.07 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 -2.64 3.99 -0.09 0.00 -2.07 -1.26 -0.83 119.66 116.75 2rnz s GLN 26 Ca 0.36 0.31 0.01 0.00 -1.82 0.00 0.00 55.36 54.22 2rnz s GLN 26 Cb -0.13 -3.69 -0.02 0.00 -1.09 0.00 0.00 33.01 28.09 2rnz s GLN 26 CO 0.28 -0.45 -0.13 0.00 -1.32 0.00 0.00 175.29 173.66 2rnz s TRP 28 N -0.14 2.87 -0.38 0.00 0.52 -1.26 -1.31 118.94 119.24 2rnz s TRP 28 Ca -0.01 0.94 -0.14 0.00 0.02 0.00 0.00 56.10 56.91 2rnz s TRP 28 Cb -0.14 -3.56 0.01 0.00 -1.15 0.00 0.00 33.47 28.63 2rnz s TRP 28 CO 0.03 -2.01 0.28 0.08 0.02 0.00 0.00 176.95 175.36 2rnz s VAL 29 N 2.85 5.27 -0.52 4.03 1.01 0.85 -3.16 120.40 130.73 2rnz s VAL 29 Ca 0.59 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 2rnz s VAL 29 Cb -0.26 -3.85 0.09 0.00 0.00 0.00 0.00 36.38 32.35 2rnz s VAL 29 CO 0.22 -0.20 0.51 -1.58 0.00 0.00 0.00 175.10 174.05 2rnz s GLN 30 N 1.70 3.02 0.75 2.72 0.74 -1.26 -1.29 119.66 126.04 2rnz s GLN 30 Ca 0.06 -1.37 -0.12 0.00 0.05 0.00 0.00 55.36 53.98 2rnz s GLN 30 Cb -0.18 -4.20 0.04 0.00 1.10 0.00 0.00 33.01 29.77 2rnz s GLN 30 CO 0.10 -1.23 1.11 0.15 -0.55 0.00 0.00 175.29 174.87 2rnz s LYS 31 N 1.96 2.47 0.19 1.67 -0.14 -0.30 -4.96 119.74 120.62 2rnz s LYS 31 Ca 0.07 0.49 -0.14 0.00 -1.36 0.00 0.00 55.97 55.03 2rnz s LYS 31 Cb -0.25 -1.98 0.19 0.00 -1.68 0.00 0.00 37.83 34.12 2rnz s LYS 31 CO 0.06 -1.31 1.68 -0.91 -0.76 0.00 0.00 175.35 174.11 2rnz h ASN 32 N -0.86 -0.24 0.00 2.83 4.21 -2.01 -3.23 115.58 116.28 2rnz h ASN 32 Ca -0.46 0.12 -0.04 0.00 1.21 0.00 0.00 56.30 57.13 2rnz h ASN 32 Cb 1.27 0.22 -0.09 0.00 -1.12 0.00 0.00 38.32 38.60 2rnz h ASN 32 CO 0.62 -0.08 -0.54 -0.90 -1.29 0.00 0.00 177.43 175.24 2rnz n ASP 33 N -5.25 0.74 -3.94 5.81 5.68 -1.26 -5.09 116.55 113.25 2rnz n ASP 33 Ca 0.05 -2.32 -0.14 0.00 -0.50 0.00 0.00 54.79 51.88 2rnz n ASP 33 Cb 0.27 -0.28 -0.09 0.00 -1.14 0.00 0.00 41.12 39.87 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 -0.71 1.37 -0.07 0.11 2.02 -1.22 -5.16 118.70 115.05 2rnz s GLU 34 Ca 0.16 -1.75 -0.03 0.00 0.02 0.00 0.00 54.97 53.37 2rnz s GLU 34 Cb 0.16 0.29 0.04 0.00 0.10 0.00 0.00 34.13 34.72 2rnz s GLU 34 CO -0.04 -0.47 0.07 -2.00 0.02 0.00 0.00 175.26 172.84 2rnz s GLU 35 N -3.94 -0.05 0.27 1.61 2.12 -1.26 -1.15 118.70 116.30 2rnz s GLU 35 Ca 0.40 0.30 0.03 0.00 0.36 0.00 0.00 54.97 56.06 2rnz s GLU 35 Cb 0.06 -0.76 -0.04 0.00 0.26 0.00 0.00 34.13 33.65 2rnz s GLU 35 CO 0.17 -0.40 0.21 1.03 -0.54 0.00 0.00 175.26 175.73 2rnz s ARG 36 N 2.17 1.50 0.02 4.30 1.81 -0.41 -4.99 118.95 123.35 2rnz s ARG 36 Ca 0.04 -1.84 0.05 0.00 -1.72 0.00 0.00 55.73 52.27 2rnz s ARG 36 Cb -0.13 0.29 -0.02 0.00 -0.45 0.00 0.00 34.95 34.64 2rnz s ARG 36 CO -0.04 -0.52 -0.16 -1.17 -0.68 0.00 0.00 175.30 172.72 2rnz s LEU 37 N -3.28 2.11 0.25 2.53 2.96 -1.26 -0.10 118.68 121.88 2rnz s LEU 37 Ca 0.40 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 2rnz s LEU 37 Cb 0.05 -0.78 -0.05 0.00 0.50 0.00 0.00 46.19 45.90 2rnz s LEU 37 CO 0.20 0.13 0.05 0.00 -1.32 0.00 0.00 176.35 175.42 2rnz s ALA 38 N -0.63 1.76 0.23 5.97 0.00 -0.42 -4.73 121.76 123.94 2rnz s ALA 38 Ca 0.05 -1.82 0.11 0.00 0.00 0.00 0.00 51.96 50.30 2rnz s ALA 38 Cb -0.07 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 2rnz s ALA 38 CO 0.01 -0.37 -0.21 -2.00 0.00 0.00 0.00 175.76 173.18 2rnz s GLU 39 N -3.96 1.56 -0.18 0.00 2.12 -0.22 -0.11 118.70 117.92 2rnz s GLU 39 Ca 0.33 -1.63 -0.10 0.00 0.36 0.00 0.00 54.97 53.93 2rnz s GLU 39 Cb 0.07 -1.73 -0.05 0.00 0.26 0.00 0.00 34.13 32.68 2rnz s GLU 39 CO 0.11 0.35 0.14 0.42 -0.54 0.00 0.00 175.26 175.74 2rnz s ILE 40 N -2.16 5.42 -0.03 -3.70 -1.09 -0.01 -1.29 121.20 118.34 2rnz s ILE 40 Ca 0.25 0.22 -0.05 0.00 -2.23 0.00 0.00 60.65 58.84 2rnz s ILE 40 Cb -0.06 -3.47 -0.02 0.00 -1.58 0.00 0.00 42.46 37.34 2rnz s ILE 40 CO 0.12 0.48 -0.09 0.18 -1.23 0.00 0.00 174.94 174.39 2rnz n LEU 41 N 3.17 0.69 -4.28 2.97 7.99 -0.18 -0.08 117.00 127.28 2rnz n LEU 41 Ca -0.17 0.11 -0.15 0.00 -0.01 0.00 0.00 56.01 55.79 2rnz n LEU 41 Cb 0.53 -0.44 -0.10 0.00 -0.11 0.00 0.00 43.42 43.30 2rnz n LEU 41 CO 0.36 -0.48 -0.39 -0.94 -1.51 0.00 0.00 177.39 174.43 2rnz s SER 42 N -5.02 1.90 -0.08 -1.43 1.04 -1.25 -4.52 113.70 104.34 2rnz s SER 42 Ca -0.08 -1.06 0.02 0.00 0.48 0.00 0.00 55.95 55.30 2rnz s SER 42 Cb 0.01 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.12 2rnz s SER 42 CO 0.12 -0.36 -0.12 -0.63 0.98 0.00 0.00 173.24 173.23 2rnz s ILE 43 N -3.30 1.15 -0.15 -1.02 1.01 -1.26 -1.35 121.20 116.28 2rnz s ILE 43 Ca 0.20 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 2rnz s ILE 43 Cb 0.03 -1.07 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 2rnz s ILE 43 CO 0.03 0.37 -0.08 0.21 0.00 0.00 0.00 174.94 175.47 2rnz s ASN 44 N 0.88 4.42 -0.46 3.58 2.47 0.03 -5.01 114.94 120.85 2rnz s ASN 44 Ca -0.10 -0.23 0.03 0.00 0.42 0.00 0.00 52.86 52.98 2rnz s ASN 44 Cb -0.15 -1.70 0.45 0.00 -1.45 0.00 0.00 41.25 38.39 2rnz s ASN 44 CO 0.01 0.16 1.51 0.35 -3.72 0.00 0.00 177.10 175.40 2rnz n THR 45 N 3.60 2.94 -0.04 -5.21 -2.24 -1.26 -2.03 114.28 110.04 2rnz n THR 45 Ca -0.18 -3.87 0.00 0.00 -2.27 0.00 0.00 64.05 57.74 2rnz n THR 45 Cb 0.52 -1.16 -0.14 0.00 -2.10 0.00 0.00 70.33 67.45 2rnz n THR 45 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2rnz n ARG 46 N -0.75 0.66 -3.92 -0.78 0.63 -1.26 -4.98 116.66 106.27 2rnz n ARG 46 Ca 0.50 -0.02 -0.24 0.00 -0.92 0.00 0.00 57.85 57.17 2rnz n ARG 46 Cb 0.80 -1.59 -0.04 0.00 0.45 0.00 0.00 32.46 32.08 2rnz n ARG 46 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2rnz s LYS 47 N -2.97 2.32 -0.15 -0.14 -0.14 -1.26 -5.06 119.74 112.34 2rnz s LYS 47 Ca -0.08 -1.82 -0.04 0.00 -1.36 0.00 0.00 55.97 52.68 2rnz s LYS 47 Cb 0.10 -2.11 0.05 0.00 -1.68 0.00 0.00 37.83 34.18 2rnz s LYS 47 CO 0.85 -0.28 0.06 0.00 -0.76 0.00 0.00 175.35 175.23 2rnz s ALA 48 N -2.62 0.58 0.96 5.17 0.00 -1.26 -2.40 121.76 122.19 2rnz s ALA 48 Ca 0.40 -0.34 -0.12 0.00 0.00 0.00 0.00 51.96 51.90 2rnz s ALA 48 Cb 0.00 -1.00 0.17 0.00 0.00 0.00 0.00 23.12 22.28 2rnz s ALA 48 CO 0.23 -1.04 1.09 -1.25 0.00 0.00 0.00 175.76 174.80 2rnz s PRO 49 N 2.05 0.75 0.64 0.00 0.04 -1.26 -4.87 135.00 132.35 2rnz s PRO 49 Ca 0.02 0.64 -0.16 0.00 0.04 0.00 0.00 61.00 61.54 2rnz s PRO 49 Cb -0.16 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2rnz s PRO 49 CO -0.08 -2.54 1.11 -1.25 0.04 0.00 0.00 177.00 174.28 2rnz s PRO 50 N -4.95 2.88 0.10 0.56 0.04 -1.01 -4.99 135.00 127.63 2rnz s PRO 50 Ca 0.65 1.42 0.01 0.00 0.04 0.00 0.00 61.00 63.12 2rnz s PRO 50 Cb -0.18 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2rnz s PRO 50 CO 0.57 -1.19 0.25 0.15 0.04 0.00 0.00 177.00 176.82 2rnz s LYS 51 N -3.97 3.44 -0.01 4.56 1.02 -0.86 -4.50 119.74 119.42 2rnz s LYS 51 Ca 0.68 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 56.18 2rnz s LYS 51 Cb -0.21 -3.00 -0.00 0.00 -0.52 0.00 0.00 37.83 34.09 2rnz s LYS 51 CO 0.39 0.57 -0.08 -0.06 -0.92 0.00 0.00 175.35 175.25 2rnz s PHE 52 N -1.62 0.71 -0.47 3.18 0.08 0.07 -0.79 117.98 119.14 2rnz s PHE 52 Ca 0.35 -0.14 -0.27 0.00 0.12 0.00 0.00 56.93 56.99 2rnz s PHE 52 Cb -0.12 -0.48 0.03 0.00 -0.57 0.00 0.00 43.02 41.88 2rnz s PHE 52 CO 0.28 -0.03 1.02 -0.47 -0.10 0.00 0.00 175.22 175.93 2rnz s TYR 53 N -0.08 2.86 -0.09 0.36 5.04 -0.45 -1.30 117.35 123.69 2rnz s TYR 53 Ca 0.02 0.52 -0.11 0.00 -2.44 0.00 0.00 57.07 55.05 2rnz s TYR 53 Cb -0.04 -4.20 -0.05 0.00 0.35 0.00 0.00 41.96 38.03 2rnz s TYR 53 CO -0.00 -1.20 0.26 0.14 -1.34 0.00 0.00 175.55 173.42 2rnz s VAL 54 N 4.10 5.29 0.05 3.14 -7.23 0.02 -1.01 120.40 124.76 2rnz s VAL 54 Ca 0.42 0.50 0.06 0.00 -1.81 0.00 0.00 61.98 61.14 2rnz s VAL 54 Cb -0.09 -3.56 -0.03 0.00 0.56 0.00 0.00 36.38 33.27 2rnz s VAL 54 CO 0.29 0.56 -0.16 -2.28 -0.31 0.00 0.00 175.10 173.19 2rnz s HIS 55 N -0.72 1.43 0.01 2.82 2.46 -0.41 -2.11 115.29 118.77 2rnz s HIS 55 Ca 0.18 -0.38 -0.02 0.00 0.47 0.00 0.00 55.06 55.31 2rnz s HIS 55 Cb -0.14 -0.83 -0.04 0.00 -0.13 0.00 0.00 32.58 31.44 2rnz s HIS 55 CO 0.07 0.07 0.19 0.71 -2.47 0.00 0.00 174.74 173.32 2rnz s TYR 56 N -0.95 3.54 -0.47 3.88 1.51 -1.26 -1.05 117.35 122.55 2rnz s TYR 56 Ca 0.03 0.33 -0.02 0.00 -1.01 0.00 0.00 57.07 56.40 2rnz s TYR 56 Cb -0.09 -1.81 0.25 0.00 -0.11 0.00 0.00 41.96 40.20 2rnz s TYR 56 CO 0.02 0.63 2.17 1.33 -1.11 0.00 0.00 175.55 178.59 2rnz n VAL 57 N 0.77 3.15 -4.29 0.71 0.24 -1.26 -4.90 118.33 112.75 2rnz n VAL 57 Ca -0.09 -2.40 -0.15 0.00 -2.04 0.00 0.00 64.34 59.66 2rnz n VAL 57 Cb 0.52 -1.33 -0.05 0.00 -1.47 0.00 0.00 33.84 31.51 2rnz n VAL 57 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2rnz n ASN 58 N 0.07 0.85 -0.10 -1.34 4.13 -1.26 -5.06 115.26 112.55 2rnz n ASN 58 Ca 0.43 -2.36 -0.09 0.00 1.68 0.00 0.00 54.58 54.24 2rnz n ASN 58 Cb 0.57 0.72 -0.02 0.00 -1.54 0.00 0.00 39.78 39.51 2rnz n ASN 58 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 2rnz h TYR 59 N 1.47 0.46 -1.18 3.10 0.05 -2.07 -3.41 116.97 115.38 2rnz h TYR 59 Ca -0.19 -0.02 -0.56 0.00 0.05 0.00 0.00 58.73 58.01 2rnz h TYR 59 Cb 0.76 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.34 2rnz h TYR 59 CO 0.00 0.40 1.56 0.09 -1.05 0.00 0.00 178.16 179.16 2rnz n ASN 60 N -4.77 2.02 0.03 3.88 4.13 -1.26 -4.78 115.26 114.52 2rnz n ASN 60 Ca -0.01 0.04 -0.03 0.00 1.68 0.00 0.00 54.58 56.25 2rnz n ASN 60 Cb 0.10 -1.35 -0.09 0.00 -1.54 0.00 0.00 39.78 36.90 2rnz n ASN 60 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 2rnz h LYS 61 N 15.04 0.00 -0.04 3.52 2.10 -1.94 -3.32 116.57 131.93 2rnz h LYS 61 Ca -0.24 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.42 2rnz h LYS 61 Cb 1.29 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2rnz h LYS 61 CO 1.12 0.48 0.04 0.07 -2.00 0.00 0.00 179.45 179.17 2rnz h ARG 62 N 0.00 0.00 -0.20 0.07 0.11 -1.98 -1.09 114.38 111.29 2rnz h ARG 62 Ca -0.16 0.00 0.06 0.00 0.10 0.00 0.00 59.98 59.98 2rnz h ARG 62 Cb 1.72 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.80 2rnz h ARG 62 CO 0.07 0.00 0.22 1.25 0.10 0.00 0.00 179.97 181.61 2rnz h LEU 63 N 0.00 0.00 -8.48 0.08 7.12 -1.96 -3.38 115.31 108.69 2rnz h LEU 63 Ca 0.02 0.00 -0.42 0.00 0.13 0.00 0.00 57.88 57.61 2rnz h LEU 63 Cb 0.11 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.22 2rnz h LEU 63 CO -0.00 0.00 1.27 -0.62 -0.13 0.00 0.00 178.44 178.96 2rnz s ASP 64 N -5.76 4.88 0.20 1.25 -1.08 -0.42 -4.75 116.67 110.99 2rnz s ASP 64 Ca -0.05 0.43 0.05 0.00 -0.52 0.00 0.00 52.55 52.46 2rnz s ASP 64 Cb 0.15 -2.53 -0.02 0.00 -1.46 0.00 0.00 42.92 39.07 2rnz s ASP 64 CO 0.55 -2.70 0.17 -1.84 0.52 0.00 0.00 175.17 171.87 2rnz n GLU 65 N 9.07 0.25 -4.08 4.34 0.28 -0.90 -4.98 120.64 124.62 2rnz n GLU 65 Ca 0.30 -2.02 -0.36 0.00 -0.16 0.00 0.00 57.16 54.92 2rnz n GLU 65 Cb 0.52 1.66 -0.07 0.00 1.43 0.00 0.00 31.44 34.97 2rnz n GLU 65 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2rnz s TRP 66 N -2.82 3.42 0.15 -1.84 0.52 -1.26 -0.80 118.94 116.30 2rnz s TRP 66 Ca 0.24 0.39 -0.12 0.00 0.02 0.00 0.00 56.10 56.63 2rnz s TRP 66 Cb 0.01 -1.88 0.01 0.00 -1.15 0.00 0.00 33.47 30.46 2rnz s TRP 66 CO 0.17 0.62 0.34 0.96 0.02 0.00 0.00 176.95 179.06 2rnz s ILE 67 N -0.94 0.07 0.53 2.03 -4.36 -0.42 -4.95 121.20 113.16 2rnz s ILE 67 Ca 0.14 -1.05 0.08 0.00 -0.26 0.00 0.00 60.65 59.55 2rnz s ILE 67 Cb -0.12 -1.55 0.05 0.00 1.25 0.00 0.00 42.46 42.09 2rnz s ILE 67 CO 0.03 -0.33 0.57 0.42 0.24 0.00 0.00 174.94 175.87 2rnz s THR 68 N -3.89 2.08 0.62 8.37 -4.23 -1.26 -0.75 115.64 116.57 2rnz s THR 68 Ca 0.10 -1.24 0.33 0.00 -1.18 0.00 0.00 61.69 59.70 2rnz s THR 68 Cb 0.02 -2.32 0.37 0.00 1.34 0.00 0.00 72.50 71.92 2rnz s THR 68 CO -0.05 0.00 2.16 0.00 -0.54 0.00 0.00 174.62 176.19 2rnz h THR 69 N 0.55 0.29 -0.04 3.99 1.03 -1.88 -0.25 112.91 116.60 2rnz h THR 69 Ca -0.35 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.06 2rnz h THR 69 Cb 1.29 0.87 -0.00 0.00 -1.07 0.00 0.00 68.15 69.24 2rnz h THR 69 CO 0.50 0.00 0.07 0.44 -0.01 0.00 0.00 175.52 176.52 2rnz h ASP 70 N 0.00 0.00 0.00 0.00 5.19 -1.94 -0.69 116.42 118.97 2rnz h ASP 70 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2rnz h ASP 70 Cb 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 2rnz h ASP 70 CO -0.00 0.00 -1.17 0.54 -3.12 0.00 0.00 179.24 175.49 2rnz n ARG 71 N -3.47 1.32 -3.89 3.56 5.12 -0.12 -4.97 116.66 114.21 2rnz n ARG 71 Ca -0.02 -0.07 -0.35 0.00 -1.93 0.00 0.00 57.85 55.49 2rnz n ARG 71 Cb 0.16 -1.28 -0.05 0.00 -1.16 0.00 0.00 32.46 30.13 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 -2.72 5.46 -1.24 0.55 1.01 -0.27 -4.53 121.20 119.46 2rnz s ILE 72 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.53 2rnz s ILE 72 Cb 0.11 -3.49 0.18 0.00 0.01 0.00 0.00 42.46 39.26 2rnz s ILE 72 CO 0.63 0.43 1.69 -3.20 0.00 0.00 0.00 174.94 174.48 2rnz n ASN 73 N 1.30 5.25 -3.36 3.58 5.15 -1.19 -4.82 115.26 121.16 2rnz n ASN 73 Ca -0.14 -3.09 -0.39 0.00 -0.60 0.00 0.00 54.58 50.36 2rnz n ASN 73 Cb 0.53 -1.49 -0.02 0.00 -0.53 0.00 0.00 39.78 38.28 2rnz n ASN 73 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2rnz n LEU 74 N 4.17 8.17 -2.81 1.20 7.94 -1.26 -4.35 117.00 130.05 2rnz n LEU 74 Ca 0.37 -4.67 -0.01 0.00 -1.11 0.00 0.00 56.01 50.59 2rnz n LEU 74 Cb 0.38 -1.42 0.05 0.00 0.53 0.00 0.00 43.42 42.96 2rnz n LEU 74 CO 0.74 2.05 -0.03 -0.67 -1.11 0.00 0.00 177.39 178.38 2rnz n ASP 75 N 2.26 1.55 -4.29 1.96 -0.08 -1.26 -4.56 116.55 112.13 2rnz n ASP 75 Ca 0.67 -2.12 -0.33 0.00 -1.51 0.00 0.00 54.79 51.50 2rnz n ASP 75 Cb 0.26 -0.49 0.16 0.00 2.34 0.00 0.00 41.12 43.40 2rnz n ASP 75 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2rnz n LYS 76 N -0.52 -1.38 -1.63 -0.67 2.85 -1.26 -4.81 118.16 110.74 2rnz n LYS 76 Ca 0.07 -0.38 -0.46 0.00 -1.05 0.00 0.00 58.31 56.49 2rnz n LYS 76 Cb 0.80 -1.71 -0.03 0.00 -0.65 0.00 0.00 35.03 33.45 2rnz n LYS 76 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2rnz n GLU 77 N -1.92 1.63 -4.17 -1.58 0.28 -1.26 -4.93 120.64 108.68 2rnz n GLU 77 Ca 0.01 0.58 -0.15 0.00 -0.16 0.00 0.00 57.16 57.45 2rnz n GLU 77 Cb 0.61 -2.12 -0.11 0.00 1.43 0.00 0.00 31.44 31.25 2rnz n GLU 77 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2rnz s VAL 78 N -0.37 0.95 -0.92 3.84 -7.23 -1.26 -5.09 120.40 110.32 2rnz s VAL 78 Ca 0.67 -1.59 -0.20 0.00 -1.81 0.00 0.00 61.98 59.06 2rnz s VAL 78 Cb -0.72 -1.30 0.11 0.00 0.56 0.00 0.00 36.38 35.03 2rnz s VAL 78 CO 0.53 -0.51 1.16 -0.76 -0.31 0.00 0.00 175.10 175.21 2rnz s LEU 79 N -2.34 4.76 -0.77 1.32 1.43 -1.26 -4.77 118.68 117.05 2rnz s LEU 79 Ca 0.04 -1.86 -0.04 0.00 -1.03 0.00 0.00 54.13 51.25 2rnz s LEU 79 Cb -0.04 -2.43 0.19 0.00 0.03 0.00 0.00 46.19 43.95 2rnz s LEU 79 CO 0.00 -1.17 0.63 -0.31 0.23 0.00 0.00 176.35 175.74 2rnz s TYR 80 N 3.16 3.66 -1.02 0.29 1.51 -1.26 -5.02 117.35 118.66 2rnz s TYR 80 Ca 0.34 -2.79 -0.24 0.00 -1.01 0.00 0.00 57.07 53.37 2rnz s TYR 80 Cb -0.05 -3.29 -0.06 0.00 -0.11 0.00 0.00 41.96 38.45 2rnz s TYR 80 CO -0.08 -0.81 1.94 -1.25 -1.11 0.00 0.00 175.55 174.24 2rnz s PRO 81 N -0.62 2.52 -0.30 -1.71 0.04 -1.26 -4.27 135.00 129.40 2rnz s PRO 81 Ca 0.22 -0.66 -0.08 0.00 0.04 0.00 0.00 61.00 60.51 2rnz s PRO 81 Cb -0.14 -5.14 0.18 0.00 0.04 0.00 0.00 34.50 29.45 2rnz s PRO 81 CO -0.08 -3.64 0.91 0.21 0.04 0.00 0.00 177.00 174.44 2rnz s LYS 82 N 6.79 0.30 0.95 4.56 2.36 -1.26 -5.16 119.74 128.27 2rnz s LYS 82 Ca 0.69 0.47 -0.13 0.00 -2.55 0.00 0.00 55.97 54.46 2rnz s LYS 82 Cb -0.04 0.26 0.04 0.00 -1.05 0.00 0.00 37.83 37.03 2rnz s LYS 82 CO 0.05 -0.38 0.43 1.28 1.55 0.00 0.00 175.35 178.27 2rnz n LEU 83 N 5.40 -0.12 -3.68 5.43 4.32 -1.26 -4.87 117.00 122.22 2rnz n LEU 83 Ca -0.02 0.33 -0.14 0.00 -0.02 0.00 0.00 56.01 56.17 2rnz n LEU 83 Cb 0.54 -1.21 -0.09 0.00 -1.62 0.00 0.00 43.42 41.04 2rnz n LEU 83 CO -0.08 -3.60 0.23 -0.75 -1.22 0.00 0.00 177.39 171.98 2rnz s LYS 84 N -3.65 0.67 -0.02 3.23 2.20 -1.26 -5.15 119.74 115.75 2rnz s LYS 84 Ca 0.57 0.66 -0.20 0.00 -0.36 0.00 0.00 55.97 56.65 2rnz s LYS 84 Cb -0.21 0.32 -0.05 0.00 -1.51 0.00 0.00 37.83 36.38 2rnz s LYS 84 CO 0.67 -0.10 0.56 0.00 -0.36 0.00 0.00 175.35 176.13 2rnz s ALA 85 N 0.09 3.50 0.55 3.13 0.00 -1.26 -5.07 121.76 122.69 2rnz s ALA 85 Ca -0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.82 2rnz s ALA 85 Cb -0.04 -2.70 -0.05 0.00 0.00 0.00 0.00 23.12 20.34 2rnz s ALA 85 CO 0.02 0.17 0.93 0.95 0.00 0.00 0.00 175.76 177.83 2rnz s THR 86 N -0.16 4.74 0.10 0.00 -4.23 -1.26 -5.09 115.64 109.74 2rnz s THR 86 Ca 0.30 0.72 0.06 0.00 -1.18 0.00 0.00 61.69 61.59 2rnz s THR 86 Cb -0.18 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 2rnz s THR 86 CO 0.16 -0.94 -0.16 -0.62 -0.54 0.00 0.00 174.62 172.52 2rnz s ASP 87 N -3.89 2.01 0.37 3.99 2.15 -1.26 -5.16 116.67 114.87 2rnz s ASP 87 Ca 0.53 -0.70 0.01 0.00 0.43 0.00 0.00 52.55 52.82 2rnz s ASP 87 Cb -0.11 -0.08 0.01 0.00 -0.30 0.00 0.00 42.92 42.44 2rnz s ASP 87 CO 0.46 -0.07 0.08 -1.84 -0.17 0.00 0.00 175.17 173.63 2rnz n GLU 88 N 0.95 1.07 0.00 4.34 -0.00 -1.26 -5.36 120.64 120.38 2rnz n GLU 88 Ca -0.19 -2.58 0.00 0.00 -0.00 0.00 0.00 57.16 54.40 2rnz n GLU 88 Cb 0.55 0.58 0.00 0.00 -0.00 0.00 0.00 31.44 32.57 2rnz n GLU 88 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73