#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 3.17 3.38 3.17 0.00 -1.26 -5.18 105.19 108.46 2rnz n GLY -3 Ca 0.00 -1.98 -0.20 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.19 1.81 -0.62 1.61 0.01 -1.26 -5.09 113.70 106.98 2rnz s SER -2 Ca 0.27 -1.54 -0.27 0.00 1.31 0.00 0.00 55.95 55.73 2rnz s SER -2 Cb 0.01 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2rnz s SER -2 CO 0.19 -0.84 1.57 -0.55 0.41 0.00 0.00 173.24 174.02 2rnz s SER -1 N -3.42 5.78 -0.10 2.44 0.15 -1.26 -4.76 113.70 112.53 2rnz s SER -1 Ca 0.34 0.13 0.16 0.00 0.70 0.00 0.00 55.95 57.28 2rnz s SER -1 Cb 0.05 -2.54 0.34 0.00 -1.71 0.00 0.00 66.02 62.16 2rnz s SER -1 CO 0.16 -2.02 1.16 0.00 1.20 0.00 0.00 173.24 173.75 2rnz n HIS 0 N 10.83 0.00 -2.70 3.44 1.44 -1.26 -4.82 115.22 122.15 2rnz n HIS 0 Ca 0.13 -0.87 -0.21 0.00 -2.01 0.00 0.00 57.72 54.76 2rnz n HIS 0 Cb 0.50 -0.17 -0.00 0.00 0.12 0.00 0.00 29.99 30.44 2rnz n HIS 0 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2rnz n HIS 1 N -0.49 2.54 -3.51 -1.40 1.44 -1.26 -4.96 115.22 107.59 2rnz n HIS 1 Ca 0.12 -3.27 -0.34 0.00 -2.01 0.00 0.00 57.72 52.21 2rnz n HIS 1 Cb 0.83 -0.28 -0.06 0.00 0.12 0.00 0.00 29.99 30.60 2rnz n HIS 1 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2rnz n HIS 2 N -0.23 3.67 -4.25 -1.40 8.25 -1.26 -5.05 115.22 114.94 2rnz n HIS 2 Ca 0.28 -3.91 -0.28 0.00 -0.26 0.00 0.00 57.72 53.55 2rnz n HIS 2 Cb 0.65 -0.96 -0.10 0.00 1.12 0.00 0.00 29.99 30.71 2rnz n HIS 2 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2rnz s HIS 3 N -1.91 2.69 0.34 4.41 3.76 -1.26 -5.14 115.29 118.17 2rnz s HIS 3 Ca 0.31 -0.19 0.07 0.00 -0.15 0.00 0.00 55.06 55.10 2rnz s HIS 3 Cb 0.01 -1.37 -0.07 0.00 1.11 0.00 0.00 32.58 32.26 2rnz s HIS 3 CO -0.06 0.46 -0.04 -1.01 -0.85 0.00 0.00 174.74 173.24 2rnz s HIS 4 N -1.41 2.23 -1.36 1.40 3.76 -1.26 -4.78 115.29 113.87 2rnz s HIS 4 Ca 0.23 -0.67 -0.08 0.00 -0.15 0.00 0.00 55.06 54.38 2rnz s HIS 4 Cb -0.10 -1.38 0.02 0.00 1.11 0.00 0.00 32.58 32.22 2rnz s HIS 4 CO 0.14 0.37 1.13 0.72 -0.85 0.00 0.00 174.74 176.26 2rnz n HIS 5 N -0.76 -2.71 -2.71 1.40 8.25 -1.26 -4.96 115.22 112.47 2rnz n HIS 5 Ca -0.05 0.99 -0.37 0.00 -0.26 0.00 0.00 57.72 58.04 2rnz n HIS 5 Cb 0.65 -4.90 -0.06 0.00 1.12 0.00 0.00 29.99 26.80 2rnz n HIS 5 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2rnz s SER 6 N -3.47 7.18 0.28 0.41 1.04 -1.26 -5.07 113.70 112.81 2rnz s SER 6 Ca 0.51 1.90 0.09 0.00 0.48 0.00 0.00 55.95 58.94 2rnz s SER 6 Cb -0.23 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.26 2rnz s SER 6 CO 0.74 -0.18 0.02 -0.44 0.98 0.00 0.00 173.24 174.36 2rnz s SER 7 N -1.59 4.55 0.00 7.02 0.01 -1.26 -5.09 113.70 117.34 2rnz s SER 7 Ca 0.52 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2rnz s SER 7 Cb -0.20 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.22 2rnz s SER 7 CO 0.25 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.46 2rnz n GLY 8 N -0.93 3.96 0.22 3.44 0.00 -1.26 -5.11 105.19 105.51 2rnz n GLY 8 Ca -0.06 -0.82 -0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 0.02 -4.74 0.99 4.32 -1.26 -4.99 117.00 111.34 2rnz n LEU 9 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.59 2rnz n LEU 9 Cb 0.00 -0.39 -0.05 0.00 -1.62 0.00 0.00 43.42 41.36 2rnz n LEU 9 CO 0.00 -0.50 0.46 0.54 -1.22 0.00 0.00 177.39 176.68 2rnz s VAL 10 N -1.02 4.81 -0.88 4.08 0.11 -1.26 -4.91 120.40 121.33 2rnz s VAL 10 Ca -0.00 1.61 -0.25 0.00 -2.93 0.00 0.00 61.98 60.42 2rnz s VAL 10 Cb 0.00 -4.11 -0.05 0.00 -1.53 0.00 0.00 36.38 30.69 2rnz s VAL 10 CO 0.00 0.33 1.94 -2.16 -3.33 0.00 0.00 175.10 171.88 2rnz s PRO 11 N 0.21 2.56 -0.80 1.54 0.04 -1.26 -4.90 135.00 132.39 2rnz s PRO 11 Ca 0.39 -0.24 -0.25 0.00 0.04 0.00 0.00 61.00 60.94 2rnz s PRO 11 Cb -0.20 -5.02 -0.08 0.00 0.04 0.00 0.00 34.50 29.24 2rnz s PRO 11 CO 0.22 -3.34 2.16 1.03 0.04 0.00 0.00 177.00 177.11 2rnz s ARG 12 N 7.01 2.14 -0.26 4.56 0.52 -1.26 -3.85 118.95 127.81 2rnz s ARG 12 Ca 0.70 0.23 -0.07 0.00 -0.52 0.00 0.00 55.73 56.07 2rnz s ARG 12 Cb -0.07 -4.85 0.01 0.00 0.52 0.00 0.00 34.95 30.55 2rnz s ARG 12 CO 0.00 -3.75 0.27 0.41 0.02 0.00 0.00 175.30 172.26 2rnz n GLY 13 N 6.67 -1.92 3.95 -3.53 0.00 -1.26 -5.04 105.19 104.06 2rnz n GLY 13 Ca 0.41 0.62 -0.24 0.00 0.00 0.00 0.00 46.02 46.81 2rnz n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rnz s SER 14 N -1.76 6.10 0.10 1.61 0.01 -1.25 -5.02 113.70 113.49 2rnz s SER 14 Ca 0.11 0.39 -0.15 0.00 1.31 0.00 0.00 55.95 57.62 2rnz s SER 14 Cb -0.03 -1.82 -0.09 0.00 0.21 0.00 0.00 66.02 64.29 2rnz s SER 14 CO 0.51 -0.48 1.42 -0.74 0.41 0.00 0.00 173.24 174.35 2rnz h HIS 15 N 0.58 0.83 -2.28 2.43 2.76 -1.96 -3.44 115.15 114.06 2rnz h HIS 15 Ca -0.48 -0.25 -0.48 0.00 -2.20 0.00 0.00 60.37 56.96 2rnz h HIS 15 Cb 1.23 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 30.01 2rnz h HIS 15 CO 0.49 0.99 -0.44 -1.64 -1.30 0.00 0.00 177.93 176.03 2rnz s MET 16 N -4.36 3.44 0.29 5.26 -1.94 -1.26 -5.12 119.30 115.60 2rnz s MET 16 Ca -0.12 -0.72 0.07 0.00 -1.71 0.00 0.00 55.69 53.20 2rnz s MET 16 Cb 0.09 -2.91 -0.02 0.00 2.01 0.00 0.00 34.83 33.99 2rnz s MET 16 CO 0.83 0.45 0.24 -1.13 -0.01 0.00 0.00 175.02 175.40 2rnz n SER 17 N -1.21 -0.62 0.00 3.03 3.41 -1.26 -5.04 113.62 111.94 2rnz n SER 17 Ca -0.09 -2.88 0.13 0.00 -0.26 0.00 0.00 58.87 55.77 2rnz n SER 17 Cb 0.56 1.45 0.40 0.00 -0.26 0.00 0.00 64.21 66.36 2rnz n SER 17 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2rnz n VAL 18 N -0.54 0.01 0.25 -3.33 3.14 -1.26 -3.80 118.33 112.80 2rnz n VAL 18 Ca 0.07 -0.01 0.18 0.00 -2.96 0.00 0.00 64.34 61.62 2rnz n VAL 18 Cb 0.52 -0.07 0.89 0.00 -1.06 0.00 0.00 33.84 34.12 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 -0.77 6.55 3.58 -2.04 0.21 116.42 123.95 2rnz h ASP 19 Ca 0.00 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.21 2rnz h ASP 19 Cb 0.51 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 41.41 2rnz h ASP 19 CO 0.00 0.00 0.31 -0.67 -2.88 0.00 0.00 179.24 176.00 2rnz n ASP 20 N -3.59 4.82 -4.05 2.28 2.03 -1.25 -4.89 116.55 111.91 2rnz n ASP 20 Ca 0.00 -3.25 -0.27 0.00 0.52 0.00 0.00 54.79 51.80 2rnz n ASP 20 Cb 0.28 -0.76 -0.17 0.00 -0.72 0.00 0.00 41.12 39.76 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 -3.01 1.36 0.19 5.18 1.01 0.73 -5.11 121.20 121.55 2rnz s ILE 21 Ca 0.56 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.62 2rnz s ILE 21 Cb 0.45 -1.24 -0.00 0.00 0.01 0.00 0.00 42.46 41.68 2rnz s ILE 21 CO 0.14 0.41 0.01 2.30 0.00 0.00 0.00 174.94 177.79 2rnz n ILE 22 N 3.97 0.00 -3.05 2.92 -5.35 -1.26 -5.02 119.36 111.56 2rnz n ILE 22 Ca -0.21 -0.90 -0.36 0.00 -0.27 0.00 0.00 62.75 61.01 2rnz n ILE 22 Cb 0.52 0.20 -0.06 0.00 -1.74 0.00 0.00 39.64 38.55 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 -1.74 4.51 -1.52 7.28 -1.09 -1.26 -3.81 121.20 123.57 2rnz s ILE 23 Ca 0.01 1.37 0.00 0.00 -2.23 0.00 0.00 60.65 59.80 2rnz s ILE 23 Cb 0.00 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 2rnz s ILE 23 CO 0.01 0.21 0.00 0.29 -1.23 0.00 0.00 174.94 174.22 2rnz n LYS 24 N 0.73 -1.39 -3.69 2.79 5.02 0.81 -4.99 118.16 117.44 2rnz n LYS 24 Ca -0.02 0.87 -0.28 0.00 -2.02 0.00 0.00 58.31 56.86 2rnz n LYS 24 Cb 0.51 -5.33 -0.03 0.00 -0.02 0.00 0.00 35.03 30.15 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 -3.27 4.20 -0.12 0.00 -2.07 -1.26 -1.14 119.66 116.01 2rnz s GLN 26 Ca 0.39 0.44 0.02 0.00 -1.82 0.00 0.00 55.36 54.39 2rnz s GLN 26 Cb -0.11 -3.56 0.01 0.00 -1.09 0.00 0.00 33.01 28.27 2rnz s GLN 26 CO 0.29 -0.14 -0.17 0.00 -1.32 0.00 0.00 175.29 173.94 2rnz s TRP 28 N 0.95 3.73 -0.38 0.00 0.52 -1.26 -1.07 118.94 121.42 2rnz s TRP 28 Ca -0.06 1.66 -0.14 0.00 0.02 0.00 0.00 56.10 57.57 2rnz s TRP 28 Cb -0.15 -3.00 0.01 0.00 -1.15 0.00 0.00 33.47 29.17 2rnz s TRP 28 CO -0.02 0.15 0.28 0.08 0.02 0.00 0.00 176.95 177.46 2rnz s VAL 29 N 0.35 5.27 -0.50 4.03 1.01 0.55 -4.16 120.40 126.95 2rnz s VAL 29 Ca 0.46 -0.49 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 2rnz s VAL 29 Cb -0.22 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.36 2rnz s VAL 29 CO 0.27 -0.20 0.66 -1.58 0.00 0.00 0.00 175.10 174.24 2rnz s GLN 30 N 1.70 3.17 0.62 2.72 0.74 -1.26 -1.23 119.66 126.12 2rnz s GLN 30 Ca 0.06 -0.73 -0.07 0.00 0.05 0.00 0.00 55.36 54.66 2rnz s GLN 30 Cb -0.18 -4.06 0.01 0.00 1.10 0.00 0.00 33.01 29.88 2rnz s GLN 30 CO 0.10 -1.20 0.95 0.21 -0.55 0.00 0.00 175.29 174.80 2rnz s LYS 31 N 2.79 2.86 0.11 1.67 2.47 -0.83 -5.00 119.74 123.81 2rnz s LYS 31 Ca 0.18 0.08 -0.32 0.00 -1.56 0.00 0.00 55.97 54.35 2rnz s LYS 31 Cb -0.18 -2.21 -0.11 0.00 -1.46 0.00 0.00 37.83 33.87 2rnz s LYS 31 CO 0.14 -0.81 1.58 -0.91 0.16 0.00 0.00 175.35 175.51 2rnz h ASN 32 N -0.31 -1.38 0.00 1.43 2.35 -2.02 -3.27 115.58 112.38 2rnz h ASN 32 Ca -0.45 0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.43 2rnz h ASN 32 Cb 1.26 0.52 -0.05 0.00 0.05 0.00 0.00 38.32 40.10 2rnz h ASN 32 CO 0.61 -0.51 -0.37 -0.67 -1.65 0.00 0.00 177.43 174.85 2rnz n ASP 33 N -5.47 1.49 -3.61 5.81 2.03 -1.26 -5.06 116.55 110.48 2rnz n ASP 33 Ca -0.07 -2.90 -0.17 0.00 0.52 0.00 0.00 54.79 52.17 2rnz n ASP 33 Cb 0.39 -0.39 -0.09 0.00 -0.72 0.00 0.00 41.12 40.32 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 -1.94 1.59 -0.04 -0.67 2.02 -1.24 -5.16 118.70 113.26 2rnz s GLU 34 Ca 0.27 -1.90 -0.02 0.00 0.02 0.00 0.00 54.97 53.34 2rnz s GLU 34 Cb 0.25 0.31 0.03 0.00 0.10 0.00 0.00 34.13 34.82 2rnz s GLU 34 CO -0.03 -0.57 0.06 -1.21 0.02 0.00 0.00 175.26 173.53 2rnz s GLU 35 N -3.66 -0.07 0.29 1.61 2.02 -1.26 -1.97 118.70 115.66 2rnz s GLU 35 Ca 0.40 0.35 0.02 0.00 0.02 0.00 0.00 54.97 55.77 2rnz s GLU 35 Cb 0.04 -0.47 -0.05 0.00 0.10 0.00 0.00 34.13 33.75 2rnz s GLU 35 CO 0.23 -0.31 0.10 0.50 0.02 0.00 0.00 175.26 175.81 2rnz s ARG 36 N 2.01 1.51 -0.00 1.61 3.52 -0.37 -4.98 118.95 122.25 2rnz s ARG 36 Ca 0.03 -1.84 0.01 0.00 -0.13 0.00 0.00 55.73 53.80 2rnz s ARG 36 Cb -0.12 -0.36 -0.00 0.00 -1.56 0.00 0.00 34.95 32.91 2rnz s ARG 36 CO -0.03 -0.31 -0.04 -1.17 -0.81 0.00 0.00 175.30 172.94 2rnz s LEU 37 N -3.37 2.01 0.23 -0.88 2.96 -1.26 -0.33 118.68 118.03 2rnz s LEU 37 Ca 0.36 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 2rnz s LEU 37 Cb 0.07 -0.19 -0.04 0.00 0.50 0.00 0.00 46.19 46.53 2rnz s LEU 37 CO 0.15 0.04 0.16 0.00 -1.32 0.00 0.00 176.35 175.38 2rnz s ALA 38 N -0.09 1.30 0.16 5.97 0.00 -0.23 -4.86 121.76 124.01 2rnz s ALA 38 Ca 0.01 -1.77 0.09 0.00 0.00 0.00 0.00 51.96 50.29 2rnz s ALA 38 Cb -0.01 1.41 -0.04 0.00 0.00 0.00 0.00 23.12 24.47 2rnz s ALA 38 CO -0.00 -0.60 -0.19 -2.00 0.00 0.00 0.00 175.76 172.96 2rnz s GLU 39 N -4.02 1.29 -0.28 0.00 2.56 0.34 -0.94 118.70 117.65 2rnz s GLU 39 Ca 0.39 -1.39 -0.11 0.00 0.00 0.00 0.00 54.97 53.86 2rnz s GLU 39 Cb 0.06 -1.41 -0.05 0.00 2.00 0.00 0.00 34.13 34.74 2rnz s GLU 39 CO 0.15 0.29 0.19 0.42 -0.56 0.00 0.00 175.26 175.75 2rnz s ILE 40 N -1.89 5.31 -0.25 -3.70 -1.09 -0.29 -0.44 121.20 118.84 2rnz s ILE 40 Ca 0.15 0.17 -0.04 0.00 -2.23 0.00 0.00 60.65 58.70 2rnz s ILE 40 Cb -0.06 -3.53 -0.14 0.00 -1.58 0.00 0.00 42.46 37.15 2rnz s ILE 40 CO 0.07 0.26 -0.26 0.18 -1.23 0.00 0.00 174.94 173.95 2rnz n LEU 41 N 5.01 2.55 -4.22 2.97 4.77 -0.47 -0.14 117.00 127.48 2rnz n LEU 41 Ca -0.14 0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.75 2rnz n LEU 41 Cb 0.52 -0.82 -0.10 0.00 -2.33 0.00 0.00 43.42 40.69 2rnz n LEU 41 CO 0.33 0.77 -0.28 -0.55 -1.33 0.00 0.00 177.39 176.34 2rnz s SER 42 N -6.74 0.60 -0.03 -1.43 0.15 -1.25 -4.54 113.70 100.47 2rnz s SER 42 Ca -0.34 -1.29 -0.00 0.00 0.70 0.00 0.00 55.95 55.01 2rnz s SER 42 Cb 0.11 0.26 0.03 0.00 -1.71 0.00 0.00 66.02 64.71 2rnz s SER 42 CO 0.52 -0.74 0.02 -0.63 1.20 0.00 0.00 173.24 173.62 2rnz s ILE 43 N -3.95 0.06 -0.14 6.45 1.01 -1.26 -1.32 121.20 122.05 2rnz s ILE 43 Ca 0.31 0.18 -0.02 0.00 0.00 0.00 0.00 60.65 61.12 2rnz s ILE 43 Cb 0.07 -0.20 -0.02 0.00 0.01 0.00 0.00 42.46 42.33 2rnz s ILE 43 CO 0.08 0.13 -0.09 0.20 0.00 0.00 0.00 174.94 175.26 2rnz s ASN 44 N 1.20 4.35 -0.32 3.58 0.01 0.73 -5.01 114.94 119.47 2rnz s ASN 44 Ca -0.07 -0.24 0.07 0.00 -0.71 0.00 0.00 52.86 51.90 2rnz s ASN 44 Cb -0.13 -1.68 0.45 0.00 0.41 0.00 0.00 41.25 40.30 2rnz s ASN 44 CO -0.02 0.17 1.17 0.35 -1.51 0.00 0.00 177.10 177.25 2rnz n THR 45 N 3.52 2.45 -0.10 1.60 -2.24 -1.26 -2.08 114.28 116.16 2rnz n THR 45 Ca -0.18 -4.35 -0.13 0.00 -2.27 0.00 0.00 64.05 57.12 2rnz n THR 45 Cb 0.53 -1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 67.53 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 -0.65 0.79 -2.64 -0.78 0.00 -1.26 -5.00 116.66 107.12 2rnz n ARG 46 Ca 0.42 0.07 -0.22 0.00 -0.00 0.00 0.00 57.85 58.12 2rnz n ARG 46 Cb 0.89 -1.47 0.06 0.00 0.00 0.00 0.00 32.46 31.95 2rnz n ARG 46 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2rnz s LYS 47 N -2.45 2.24 -0.14 -0.14 -0.14 -1.26 -5.03 119.74 112.81 2rnz s LYS 47 Ca -0.21 -0.93 -0.04 0.00 -1.36 0.00 0.00 55.97 53.42 2rnz s LYS 47 Cb 0.07 -2.44 0.05 0.00 -1.68 0.00 0.00 37.83 33.83 2rnz s LYS 47 CO 0.63 -0.97 0.08 0.00 -0.76 0.00 0.00 175.35 174.34 2rnz s ALA 48 N -2.89 0.40 0.96 5.17 0.00 -1.26 -2.59 121.76 121.56 2rnz s ALA 48 Ca 0.61 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.24 2rnz s ALA 48 Cb -0.08 -0.95 0.17 0.00 0.00 0.00 0.00 23.12 22.26 2rnz s ALA 48 CO 0.40 -1.02 1.09 -1.25 0.00 0.00 0.00 175.76 174.99 2rnz s PRO 49 N 2.13 0.73 0.69 0.00 0.04 -1.26 -4.84 135.00 132.49 2rnz s PRO 49 Ca 0.03 0.63 -0.14 0.00 0.04 0.00 0.00 61.00 61.56 2rnz s PRO 49 Cb -0.15 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.64 2rnz s PRO 49 CO -0.08 -2.56 1.10 -1.25 0.04 0.00 0.00 177.00 174.26 2rnz s PRO 50 N -4.95 2.64 0.19 0.56 0.04 -1.07 -4.95 135.00 127.46 2rnz s PRO 50 Ca 0.65 1.32 0.09 0.00 0.04 0.00 0.00 61.00 63.10 2rnz s PRO 50 Cb -0.18 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2rnz s PRO 50 CO 0.57 -1.37 -0.09 0.15 0.04 0.00 0.00 177.00 176.31 2rnz s LYS 51 N -4.34 2.08 0.11 4.56 3.01 -0.88 -3.95 119.74 120.32 2rnz s LYS 51 Ca 0.65 -1.29 0.06 0.00 -1.01 0.00 0.00 55.97 54.38 2rnz s LYS 51 Cb -0.19 -2.15 -0.04 0.00 -1.01 0.00 0.00 37.83 34.44 2rnz s LYS 51 CO 0.46 0.43 -0.15 -0.06 0.51 0.00 0.00 175.35 176.54 2rnz s PHE 52 N -1.78 1.40 -0.44 3.18 0.08 0.86 -0.19 117.98 121.08 2rnz s PHE 52 Ca 0.26 -0.53 -0.22 0.00 0.12 0.00 0.00 56.93 56.56 2rnz s PHE 52 Cb -0.08 -0.74 0.02 0.00 -0.57 0.00 0.00 43.02 41.65 2rnz s PHE 52 CO 0.16 0.13 0.71 -0.47 -0.10 0.00 0.00 175.22 175.65 2rnz s TYR 53 N -1.90 3.03 0.21 0.36 5.04 -0.43 -0.90 117.35 122.76 2rnz s TYR 53 Ca 0.07 0.04 -0.12 0.00 -2.44 0.00 0.00 57.07 54.61 2rnz s TYR 53 Cb -0.06 -3.49 -0.07 0.00 0.35 0.00 0.00 41.96 38.68 2rnz s TYR 53 CO 0.03 -0.92 0.57 0.14 -1.34 0.00 0.00 175.55 174.03 2rnz s VAL 54 N 3.03 4.87 -0.11 3.14 -7.23 0.85 -1.37 120.40 123.58 2rnz s VAL 54 Ca 0.26 0.66 -0.07 0.00 -1.81 0.00 0.00 61.98 61.02 2rnz s VAL 54 Cb -0.13 -3.66 0.04 0.00 0.56 0.00 0.00 36.38 33.19 2rnz s VAL 54 CO 0.21 0.03 0.27 -2.28 -0.31 0.00 0.00 175.10 173.02 2rnz s HIS 55 N -1.71 -0.35 -0.07 2.82 2.46 0.41 -2.26 115.29 116.59 2rnz s HIS 55 Ca 0.45 0.83 -0.05 0.00 0.47 0.00 0.00 55.06 56.75 2rnz s HIS 55 Cb -0.12 0.09 -0.04 0.00 -0.13 0.00 0.00 32.58 32.38 2rnz s HIS 55 CO 0.20 -0.22 0.16 0.71 -2.47 0.00 0.00 174.74 173.12 2rnz s TYR 56 N 0.89 3.57 0.25 3.88 1.51 -1.26 -0.51 117.35 125.68 2rnz s TYR 56 Ca -0.06 0.45 -0.09 0.00 -1.01 0.00 0.00 57.07 56.36 2rnz s TYR 56 Cb -0.07 -1.89 -0.07 0.00 -0.11 0.00 0.00 41.96 39.82 2rnz s TYR 56 CO -0.06 0.70 0.56 0.14 -1.11 0.00 0.00 175.55 175.77 2rnz s VAL 57 N -1.16 4.95 -1.62 0.71 -7.23 -1.26 -4.06 120.40 110.72 2rnz s VAL 57 Ca 0.21 0.40 0.00 0.00 -1.81 0.00 0.00 61.98 60.78 2rnz s VAL 57 Cb -0.12 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.18 2rnz s VAL 57 CO 0.11 -0.13 0.00 0.59 -0.31 0.00 0.00 175.10 175.36 2rnz n ASN 58 N -0.31 -5.12 -4.27 4.85 3.02 -1.26 -4.95 115.26 107.22 2rnz n ASN 58 Ca 0.00 0.14 -0.17 0.00 -0.03 0.00 0.00 54.58 54.52 2rnz n ASN 58 Cb 0.53 -4.35 -0.10 0.00 -0.61 0.00 0.00 39.78 35.25 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 -2.81 1.58 1.34 3.10 5.04 -1.26 -5.16 117.35 119.18 2rnz s TYR 59 Ca 0.00 -1.20 -0.22 0.00 -2.44 0.00 0.00 57.07 53.21 2rnz s TYR 59 Cb 0.00 -0.93 0.34 0.00 0.35 0.00 0.00 41.96 41.72 2rnz s TYR 59 CO 0.00 -0.34 1.03 -0.80 -1.34 0.00 0.00 175.55 174.11 2rnz s ASN 60 N -3.34 -0.26 0.09 4.32 0.01 -1.26 -4.97 114.94 109.52 2rnz s ASN 60 Ca 0.37 0.61 0.18 0.00 -0.71 0.00 0.00 52.86 53.31 2rnz s ASN 60 Cb 0.07 -0.80 -0.11 0.00 0.41 0.00 0.00 41.25 40.83 2rnz s ASN 60 CO 0.14 -4.85 0.87 2.29 -1.51 0.00 0.00 177.10 174.05 2rnz n LYS 61 N -5.25 0.62 -0.14 -0.60 -0.00 -1.26 -4.00 118.16 107.53 2rnz n LYS 61 Ca 0.15 0.21 0.24 0.00 -0.00 0.00 0.00 58.31 58.90 2rnz n LYS 61 Cb 0.60 -1.81 0.67 0.00 -0.00 0.00 0.00 35.03 34.49 2rnz n LYS 61 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.40 177.47 2rnz h ARG 62 N 0.00 0.09 0.02 -1.58 0.11 -2.02 0.24 114.38 111.24 2rnz h ARG 62 Ca -0.13 -0.01 -0.21 0.00 0.10 0.00 0.00 59.98 59.74 2rnz h ARG 62 Cb 1.46 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.51 2rnz h ARG 62 CO 0.04 0.06 -0.94 1.25 0.10 0.00 0.00 179.97 180.47 2rnz h LEU 63 N 0.09 0.26 -8.43 0.08 5.85 -1.96 -3.42 115.31 107.79 2rnz h LEU 63 Ca 0.38 -0.23 -0.34 0.00 0.84 0.00 0.00 57.88 58.53 2rnz h LEU 63 Cb 1.38 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 2rnz h LEU 63 CO -0.04 1.07 1.02 -0.62 -0.34 0.00 0.00 178.44 179.52 2rnz s ASP 64 N -6.94 4.74 0.16 1.25 2.15 0.85 -4.80 116.67 114.07 2rnz s ASP 64 Ca -0.03 0.24 0.03 0.00 0.43 0.00 0.00 52.55 53.22 2rnz s ASP 64 Cb 0.10 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 40.17 2rnz s ASP 64 CO 0.84 -2.90 0.11 -0.62 -0.17 0.00 0.00 175.17 172.42 2rnz n GLU 65 N 8.99 0.37 -4.68 4.34 -0.58 -0.96 -4.99 120.64 123.14 2rnz n GLU 65 Ca 0.35 -1.52 -0.33 0.00 -0.42 0.00 0.00 57.16 55.23 2rnz n GLU 65 Cb 0.50 1.11 -0.13 0.00 -0.57 0.00 0.00 31.44 32.35 2rnz n GLU 65 CO 0.00 0.00 0.00 1.67 -0.48 0.00 0.00 177.13 178.32 2rnz s TRP 66 N -2.49 2.87 0.26 -0.32 1.48 -1.26 -0.10 118.94 119.37 2rnz s TRP 66 Ca 0.15 -0.33 0.04 0.00 -1.06 0.00 0.00 56.10 54.90 2rnz s TRP 66 Cb 0.01 -1.80 -0.02 0.00 -1.16 0.00 0.00 33.47 30.50 2rnz s TRP 66 CO 0.11 0.02 0.15 0.44 -4.06 0.00 0.00 176.95 173.61 2rnz n ILE 67 N 3.02 0.00 -3.04 0.66 -5.35 -0.07 -4.94 119.36 109.64 2rnz n ILE 67 Ca -0.18 -1.70 -0.06 0.00 -0.27 0.00 0.00 62.75 60.54 2rnz n ILE 67 Cb 0.53 0.73 0.02 0.00 -1.74 0.00 0.00 39.64 39.18 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 -0.54 0.00 0.29 7.28 -2.24 -1.26 -0.10 114.28 117.71 2rnz n THR 68 Ca 0.01 -0.63 0.12 0.00 -2.27 0.00 0.00 64.05 61.28 2rnz n THR 68 Cb 0.43 -0.82 0.15 0.00 -2.10 0.00 0.00 70.33 67.98 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 0.05 0.00 -0.24 4.28 1.03 -1.84 -3.26 112.91 112.92 2rnz h THR 69 Ca -0.09 -0.86 0.07 0.00 -0.01 0.00 0.00 66.41 65.52 2rnz h THR 69 Cb 0.40 1.64 -0.01 0.00 -1.07 0.00 0.00 68.15 69.12 2rnz h THR 69 CO 0.13 0.00 0.27 0.44 -0.01 0.00 0.00 175.52 176.34 2rnz h ASP 70 N 0.00 0.00 0.00 0.00 3.32 -1.95 -1.04 116.42 116.75 2rnz h ASP 70 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2rnz h ASP 70 Cb 0.93 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 2rnz h ASP 70 CO 0.00 0.00 -1.95 0.54 -1.72 0.00 0.00 179.24 176.11 2rnz n ARG 71 N -3.77 0.84 -3.55 3.56 5.12 -1.24 -4.90 116.66 112.72 2rnz n ARG 71 Ca 0.03 -0.10 -0.40 0.00 -1.93 0.00 0.00 57.85 55.45 2rnz n ARG 71 Cb 0.40 -1.43 -0.11 0.00 -1.16 0.00 0.00 32.46 30.17 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 -2.91 5.29 -0.18 0.55 1.01 -0.39 -4.28 121.20 120.30 2rnz s ILE 72 Ca -0.07 -0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.43 2rnz s ILE 72 Cb 0.09 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 2rnz s ILE 72 CO 0.72 0.08 0.07 0.21 0.00 0.00 0.00 174.94 176.02 2rnz s ASN 73 N 1.73 5.75 0.08 3.58 3.84 -1.26 -4.70 114.94 123.97 2rnz s ASN 73 Ca 0.07 0.13 -0.34 0.00 0.21 0.00 0.00 52.86 52.93 2rnz s ASN 73 Cb -0.17 -1.97 -0.17 0.00 -0.55 0.00 0.00 41.25 38.39 2rnz s ASN 73 CO 0.11 0.20 1.60 -0.07 -2.79 0.00 0.00 177.10 176.14 2rnz h LEU 74 N 6.52 -1.03 0.00 3.21 -0.00 -1.91 -3.42 115.31 118.67 2rnz h LEU 74 Ca -0.39 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 2rnz h LEU 74 Cb 1.17 0.31 0.00 0.00 -0.00 0.00 0.00 40.66 42.14 2rnz h LEU 74 CO 0.70 -0.61 0.00 -0.67 -0.00 0.00 0.00 178.44 177.86 2rnz n ASP 75 N -5.53 0.00 -4.25 -0.43 -0.08 -1.26 -4.90 116.55 100.10 2rnz n ASP 75 Ca -0.13 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.01 2rnz n ASP 75 Cb 0.42 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.78 2rnz n ASP 75 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2rnz s LYS 76 N -0.59 1.11 0.25 -0.67 -0.14 -1.26 -5.07 119.74 113.37 2rnz s LYS 76 Ca 0.00 -1.52 -0.31 0.00 -1.36 0.00 0.00 55.97 52.79 2rnz s LYS 76 Cb 0.00 -0.42 -0.13 0.00 -1.68 0.00 0.00 37.83 35.60 2rnz s LYS 76 CO 0.00 -0.05 1.48 -0.85 -0.76 0.00 0.00 175.35 175.16 2rnz n GLU 77 N -0.24 2.26 -3.29 1.68 0.28 -1.26 -4.95 120.64 115.12 2rnz n GLU 77 Ca -0.08 0.80 -0.39 0.00 -0.16 0.00 0.00 57.16 57.33 2rnz n GLU 77 Cb 0.62 -2.51 -0.07 0.00 1.43 0.00 0.00 31.44 30.91 2rnz n GLU 77 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2rnz s VAL 78 N -0.01 5.13 -0.23 3.84 0.11 -1.26 -5.06 120.40 122.93 2rnz s VAL 78 Ca 0.67 0.84 -0.13 0.00 -2.93 0.00 0.00 61.98 60.44 2rnz s VAL 78 Cb -0.60 -3.80 -0.05 0.00 -1.53 0.00 0.00 36.38 30.41 2rnz s VAL 78 CO 0.49 0.18 0.26 -0.22 -3.33 0.00 0.00 175.10 172.47 2rnz s LEU 79 N 1.73 4.12 0.17 2.54 0.20 -1.26 -5.05 118.68 121.14 2rnz s LEU 79 Ca 0.21 0.27 0.06 0.00 0.69 0.00 0.00 54.13 55.36 2rnz s LEU 79 Cb -0.15 -2.28 -0.05 0.00 -0.43 0.00 0.00 46.19 43.29 2rnz s LEU 79 CO 0.09 -0.00 -0.12 -0.31 -0.29 0.00 0.00 176.35 175.71 2rnz s TYR 80 N 1.22 1.49 0.59 5.38 2.02 -1.26 -5.09 117.35 121.70 2rnz s TYR 80 Ca 0.12 -0.66 -0.17 0.00 -0.37 0.00 0.00 57.07 55.99 2rnz s TYR 80 Cb -0.14 -0.72 -0.03 0.00 -0.40 0.00 0.00 41.96 40.67 2rnz s TYR 80 CO 0.06 0.22 1.12 -1.25 -1.57 0.00 0.00 175.55 174.13 2rnz s PRO 81 N -3.66 3.11 -0.07 -1.71 0.04 -1.26 -5.07 135.00 126.39 2rnz s PRO 81 Ca 0.19 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.59 2rnz s PRO 81 Cb 0.01 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.60 2rnz s PRO 81 CO 0.04 -1.02 0.37 0.15 0.04 0.00 0.00 177.00 176.57 2rnz s LYS 82 N -3.65 0.62 0.44 4.56 1.02 -1.26 -5.18 119.74 116.29 2rnz s LYS 82 Ca 0.70 0.12 0.07 0.00 0.02 0.00 0.00 55.97 56.88 2rnz s LYS 82 Cb -0.22 0.28 -0.02 0.00 -0.52 0.00 0.00 37.83 37.35 2rnz s LYS 82 CO 0.33 -0.15 0.28 -0.51 -0.92 0.00 0.00 175.35 174.39 2rnz s LEU 83 N -0.74 3.11 -0.03 3.17 1.43 -1.26 -5.13 118.68 119.24 2rnz s LEU 83 Ca -0.08 -1.01 -0.03 0.00 -1.03 0.00 0.00 54.13 51.98 2rnz s LEU 83 Cb -0.04 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2rnz s LEU 83 CO 0.03 -0.69 0.15 -0.75 0.23 0.00 0.00 176.35 175.32 2rnz s LYS 84 N -4.05 3.36 0.24 1.70 2.20 -1.26 -5.11 119.74 116.82 2rnz s LYS 84 Ca 0.41 -0.32 0.10 0.00 -0.36 0.00 0.00 55.97 55.81 2rnz s LYS 84 Cb 0.00 -3.06 -0.05 0.00 -1.51 0.00 0.00 37.83 33.21 2rnz s LYS 84 CO 0.24 0.69 -0.19 0.00 -0.36 0.00 0.00 175.35 175.73 2rnz s ALA 85 N -1.25 2.47 -0.05 3.13 0.00 -1.26 -5.14 121.76 119.66 2rnz s ALA 85 Ca 0.24 -1.78 -0.02 0.00 0.00 0.00 0.00 51.96 50.41 2rnz s ALA 85 Cb -0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2rnz s ALA 85 CO 0.15 0.22 0.05 0.95 0.00 0.00 0.00 175.76 177.13 2rnz s THR 86 N -2.56 4.59 0.31 0.00 -4.23 -1.26 -5.12 115.64 107.37 2rnz s THR 86 Ca 0.26 -0.28 0.03 0.00 -1.18 0.00 0.00 61.69 60.52 2rnz s THR 86 Cb -0.04 -3.01 -0.05 0.00 1.34 0.00 0.00 72.50 70.74 2rnz s THR 86 CO 0.12 0.50 0.10 -1.81 -0.54 0.00 0.00 174.62 172.98 2rnz s ASP 87 N -1.27 1.85 0.19 3.99 1.11 -1.26 -5.17 116.67 116.11 2rnz s ASP 87 Ca 0.17 -1.44 -0.21 0.00 0.18 0.00 0.00 52.55 51.25 2rnz s ASP 87 Cb -0.12 0.15 0.05 0.00 1.07 0.00 0.00 42.92 44.08 2rnz s ASP 87 CO 0.07 -0.74 0.60 -1.83 1.18 0.00 0.00 175.17 174.46 2rnz s GLU 88 N -3.91 1.39 0.00 8.23 4.04 -1.26 -5.37 118.70 121.81 2rnz s GLU 88 Ca 0.35 -0.66 0.14 0.00 0.04 0.00 0.00 54.97 54.84 2rnz s GLU 88 Cb 0.07 0.57 0.11 0.00 0.02 0.00 0.00 34.13 34.91 2rnz s GLU 88 CO 0.15 -0.61 0.94 -0.25 -1.84 0.00 0.00 175.26 173.65