#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 5.39 3.62 -5.12 0.00 -1.26 -5.19 105.19 102.64 2rnz n GLY -3 Ca 0.00 -1.32 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 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 1.00 -0.33 0.04 1.61 0.01 -1.26 -5.19 113.70 109.59 2rnz s SER -2 Ca 0.00 -0.22 -0.08 0.00 1.31 0.00 0.00 55.95 56.96 2rnz s SER -2 Cb 0.00 0.51 -0.00 0.00 0.21 0.00 0.00 66.02 66.74 2rnz s SER -2 CO 0.00 -0.89 0.15 -0.44 0.41 0.00 0.00 173.24 172.48 2rnz s SER -1 N -2.75 0.09 0.22 2.44 0.01 -1.26 -5.18 113.70 107.28 2rnz s SER -1 Ca 0.08 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 56.90 2rnz s SER -1 Cb -0.02 0.26 0.01 0.00 0.21 0.00 0.00 66.02 66.48 2rnz s SER -1 CO -0.04 -0.53 0.31 1.41 0.41 0.00 0.00 173.24 174.81 2rnz n HIS 0 N 0.77 -1.08 -3.90 2.43 -0.00 -1.26 -5.15 115.22 107.03 2rnz n HIS 0 Ca -0.19 -1.49 -0.35 0.00 -0.00 0.00 0.00 57.72 55.69 2rnz n HIS 0 Cb 0.58 0.35 -0.14 0.00 -0.00 0.00 0.00 29.99 30.79 2rnz n HIS 0 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2rnz s HIS 1 N -3.68 2.97 0.00 4.41 4.02 -1.26 -5.10 115.29 116.65 2rnz s HIS 1 Ca 0.18 -0.95 0.02 0.00 1.02 0.00 0.00 55.06 55.34 2rnz s HIS 1 Cb -0.01 -2.11 -0.01 0.00 -1.02 0.00 0.00 32.58 29.44 2rnz s HIS 1 CO 0.13 -0.55 -0.07 -3.38 1.02 0.00 0.00 174.74 171.89 2rnz s HIS 2 N 1.48 0.65 -1.43 1.40 0.00 -1.26 -4.83 115.29 111.30 2rnz s HIS 2 Ca 0.06 -0.17 -0.08 0.00 -3.00 0.00 0.00 55.06 51.87 2rnz s HIS 2 Cb -0.14 -0.41 0.05 0.00 -4.00 0.00 0.00 32.58 28.07 2rnz s HIS 2 CO -0.03 -0.02 0.90 0.72 -1.00 0.00 0.00 174.74 175.31 2rnz n HIS 3 N 2.71 -2.21 -1.36 0.38 -0.00 -1.26 -4.96 115.22 108.52 2rnz n HIS 3 Ca -0.14 0.89 -0.29 0.00 -0.00 0.00 0.00 57.72 58.18 2rnz n HIS 3 Cb 0.57 -4.24 0.16 0.00 -0.00 0.00 0.00 29.99 26.48 2rnz n HIS 3 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2rnz s HIS 4 N -3.44 2.29 -0.03 4.41 0.00 -1.26 -5.09 115.29 112.17 2rnz s HIS 4 Ca 0.41 0.90 -0.16 0.00 -3.00 0.00 0.00 55.06 53.20 2rnz s HIS 4 Cb -0.20 -3.34 0.03 0.00 -4.00 0.00 0.00 32.58 25.07 2rnz s HIS 4 CO 0.81 -2.66 0.35 -3.38 -1.00 0.00 0.00 174.74 168.87 2rnz s HIS 5 N -3.13 -0.26 -0.14 0.38 0.00 -1.26 -5.15 115.29 105.73 2rnz s HIS 5 Ca 0.65 0.44 0.00 0.00 -3.00 0.00 0.00 55.06 53.15 2rnz s HIS 5 Cb -0.17 0.13 0.03 0.00 -4.00 0.00 0.00 32.58 28.57 2rnz s HIS 5 CO 0.55 -0.39 -0.11 0.45 -1.00 0.00 0.00 174.74 174.25 2rnz s SER 6 N -1.13 2.61 0.52 7.38 0.15 -1.26 -5.12 113.70 116.86 2rnz s SER 6 Ca -0.12 -0.49 -0.21 0.00 0.70 0.00 0.00 55.95 55.83 2rnz s SER 6 Cb -0.04 -1.04 -0.07 0.00 -1.71 0.00 0.00 66.02 63.15 2rnz s SER 6 CO 0.04 -0.10 1.02 -0.24 1.20 0.00 0.00 173.24 175.16 2rnz n SER 7 N 4.83 1.18 0.00 5.45 2.88 -1.26 -4.85 113.62 121.85 2rnz n SER 7 Ca -0.15 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 2rnz n SER 7 Cb 0.49 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 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 1.19 2.76 3.60 0.46 0.00 -1.26 -4.99 105.19 106.95 2rnz n GLY 8 Ca 0.11 -1.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 2rnz n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rnz s LEU 9 N 0.00 2.85 0.21 0.99 1.43 -1.26 -5.09 118.68 117.81 2rnz s LEU 9 Ca 0.00 -1.20 0.10 0.00 -1.03 0.00 0.00 54.13 52.00 2rnz s LEU 9 Cb 0.00 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 2rnz s LEU 9 CO 0.00 -0.31 -0.13 0.68 0.23 0.00 0.00 176.35 176.82 2rnz s VAL 10 N -2.62 2.94 -0.11 -1.59 -7.23 -1.26 -4.60 120.40 105.93 2rnz s VAL 10 Ca 0.34 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.32 2rnz s VAL 10 Cb 0.04 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2rnz s VAL 10 CO 0.18 -0.20 1.53 -2.16 -0.31 0.00 0.00 175.10 174.14 2rnz s PRO 11 N -3.05 4.15 -0.47 4.82 0.04 -1.26 -4.98 135.00 134.25 2rnz s PRO 11 Ca 0.26 1.96 -0.16 0.00 0.04 0.00 0.00 61.00 63.10 2rnz s PRO 11 Cb -0.08 -3.93 0.06 0.00 0.04 0.00 0.00 34.50 30.60 2rnz s PRO 11 CO 0.15 -0.86 0.44 1.03 0.04 0.00 0.00 177.00 177.79 2rnz s ARG 12 N 3.96 3.01 0.00 4.56 0.52 -1.26 -4.82 118.95 124.93 2rnz s ARG 12 Ca 0.68 -1.20 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 2rnz s ARG 12 Cb -0.29 -4.10 0.00 0.00 0.52 0.00 0.00 34.95 31.08 2rnz s ARG 12 CO 0.25 -1.04 0.00 0.41 0.02 0.00 0.00 175.30 174.94 2rnz n GLY 13 N 5.19 -1.30 3.68 -3.53 0.00 -1.26 -5.07 105.19 102.89 2rnz n GLY 13 Ca -0.11 0.72 -0.31 0.00 0.00 0.00 0.00 46.02 46.33 2rnz n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rnz s SER 14 N -4.00 3.10 -0.75 1.61 1.04 -1.26 -4.99 113.70 108.45 2rnz s SER 14 Ca 0.00 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.45 2rnz s SER 14 Cb 0.00 -2.52 0.19 0.00 0.10 0.00 0.00 66.02 63.79 2rnz s SER 14 CO 0.00 -2.96 0.58 -2.28 0.98 0.00 0.00 173.24 169.56 2rnz s HIS 15 N -2.70 3.64 0.24 5.02 2.46 -1.26 -5.07 115.29 117.61 2rnz s HIS 15 Ca 0.66 -3.06 0.06 0.00 0.47 0.00 0.00 55.06 53.19 2rnz s HIS 15 Cb -0.22 -3.05 -0.03 0.00 -0.13 0.00 0.00 32.58 29.15 2rnz s HIS 15 CO 0.58 -0.71 0.27 -1.64 -2.47 0.00 0.00 174.74 170.77 2rnz s MET 16 N -1.00 3.18 0.00 2.88 -1.94 -1.26 -4.89 119.30 116.27 2rnz s MET 16 Ca 0.23 -0.90 -0.00 0.00 -1.71 0.00 0.00 55.69 53.32 2rnz s MET 16 Cb -0.11 -2.73 -0.00 0.00 2.01 0.00 0.00 34.83 34.00 2rnz s MET 16 CO -0.10 0.42 0.00 -1.12 -0.01 0.00 0.00 175.02 174.21 2rnz s SER 17 N -3.85 0.02 0.00 3.03 0.01 -1.26 -5.02 113.70 106.62 2rnz s SER 17 Ca 0.33 -0.03 0.29 0.00 1.31 0.00 0.00 55.95 57.85 2rnz s SER 17 Cb -0.09 0.01 1.36 0.00 0.21 0.00 0.00 66.02 67.52 2rnz s SER 17 CO 0.27 -0.02 1.95 0.55 0.41 0.00 0.00 173.24 176.40 2rnz n VAL 18 N 2.96 0.00 0.30 3.43 3.14 -1.26 -3.64 118.33 123.27 2rnz n VAL 18 Ca -0.13 -0.02 0.19 0.00 -2.96 0.00 0.00 64.34 61.42 2rnz n VAL 18 Cb 0.60 -0.33 1.02 0.00 -1.06 0.00 0.00 33.84 34.07 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 0.19 0.00 -0.72 6.55 3.58 -2.05 0.15 116.42 124.12 2rnz h ASP 19 Ca 0.00 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 2rnz h ASP 19 Cb 0.34 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.28 2rnz h ASP 19 CO 0.00 0.00 0.24 0.47 -2.88 0.00 0.00 179.24 177.07 2rnz n ASP 20 N -3.34 5.01 -3.99 2.28 9.92 -1.24 -4.88 116.55 120.30 2rnz n ASP 20 Ca -0.02 -3.17 -0.24 0.00 -0.53 0.00 0.00 54.79 50.83 2rnz n ASP 20 Cb 0.17 -0.74 -0.17 0.00 -0.64 0.00 0.00 41.12 39.75 2rnz n ASP 20 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2rnz s ILE 21 N -2.94 1.06 0.17 0.53 1.01 0.53 -5.13 121.20 116.44 2rnz s ILE 21 Ca 0.55 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.80 2rnz s ILE 21 Cb 0.44 -0.99 -0.00 0.00 0.01 0.00 0.00 42.46 41.91 2rnz s ILE 21 CO 0.14 0.34 0.04 2.30 0.00 0.00 0.00 174.94 177.76 2rnz n ILE 22 N 4.01 0.00 -2.86 2.92 -5.35 -1.26 -5.02 119.36 111.80 2rnz n ILE 22 Ca -0.22 -0.93 -0.37 0.00 -0.27 0.00 0.00 62.75 60.96 2rnz n ILE 22 Cb 0.51 0.28 -0.06 0.00 -1.74 0.00 0.00 39.64 38.63 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 -1.98 4.28 -1.64 7.28 -1.09 -1.26 -3.59 121.20 123.20 2rnz s ILE 23 Ca 0.05 1.73 0.00 0.00 -2.23 0.00 0.00 60.65 60.20 2rnz s ILE 23 Cb 0.00 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 2rnz s ILE 23 CO 0.04 0.22 0.00 0.29 -1.23 0.00 0.00 174.94 174.26 2rnz n LYS 24 N 0.78 -1.32 -3.44 2.79 4.76 0.81 -4.98 118.16 117.56 2rnz n LYS 24 Ca 0.00 0.96 -0.28 0.00 -2.87 0.00 0.00 58.31 56.12 2rnz n LYS 24 Cb 0.50 -5.33 -0.03 0.00 -1.84 0.00 0.00 35.03 28.33 2rnz n LYS 24 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rnz s GLN 26 N -3.57 4.14 -0.12 0.00 0.74 -1.26 -0.43 119.66 119.15 2rnz s GLN 26 Ca 0.42 0.45 0.01 0.00 0.05 0.00 0.00 55.36 56.29 2rnz s GLN 26 Cb -0.11 -3.61 -0.01 0.00 1.10 0.00 0.00 33.01 30.38 2rnz s GLN 26 CO 0.30 -0.28 -0.17 0.00 -0.55 0.00 0.00 175.29 174.60 2rnz s TRP 28 N 0.40 3.39 -0.38 0.00 0.52 -1.26 -1.25 118.94 120.35 2rnz s TRP 28 Ca -0.13 0.61 -0.14 0.00 0.02 0.00 0.00 56.10 56.46 2rnz s TRP 28 Cb -0.16 -2.49 0.01 0.00 -1.15 0.00 0.00 33.47 29.67 2rnz s TRP 28 CO 0.06 0.03 0.28 0.08 0.02 0.00 0.00 176.95 177.42 2rnz s VAL 29 N 1.18 5.25 -0.53 4.03 1.01 0.33 -3.67 120.40 128.00 2rnz s VAL 29 Ca 0.18 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 2rnz s VAL 29 Cb -0.14 -3.84 0.07 0.00 0.00 0.00 0.00 36.38 32.47 2rnz s VAL 29 CO 0.07 -0.20 0.63 -1.10 0.00 0.00 0.00 175.10 174.51 2rnz s GLN 30 N 1.69 3.09 0.75 2.72 -0.21 -1.26 -1.28 119.66 125.15 2rnz s GLN 30 Ca 0.05 -1.06 -0.12 0.00 0.02 0.00 0.00 55.36 54.26 2rnz s GLN 30 Cb -0.18 -4.15 0.04 0.00 1.00 0.00 0.00 33.01 29.72 2rnz s GLN 30 CO 0.10 -1.30 1.10 0.15 -2.12 0.00 0.00 175.29 173.23 2rnz s LYS 31 N 2.55 2.50 0.18 2.91 -0.14 0.03 -4.96 119.74 122.81 2rnz s LYS 31 Ca 0.13 0.50 -0.14 0.00 -1.36 0.00 0.00 55.97 55.09 2rnz s LYS 31 Cb -0.21 -1.98 0.17 0.00 -1.68 0.00 0.00 37.83 34.13 2rnz s LYS 31 CO 0.10 -1.30 1.68 -0.91 -0.76 0.00 0.00 175.35 174.16 2rnz h ASN 32 N -0.85 -0.26 0.00 2.83 4.21 -2.00 -3.23 115.58 116.28 2rnz h ASN 32 Ca -0.46 0.12 -0.01 0.00 1.21 0.00 0.00 56.30 57.16 2rnz h ASN 32 Cb 1.27 0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 38.66 2rnz h ASN 32 CO 0.62 -0.09 -0.42 -0.67 -1.29 0.00 0.00 177.43 175.58 2rnz n ASP 33 N -5.26 0.73 -3.99 5.81 2.03 -1.26 -5.09 116.55 109.52 2rnz n ASP 33 Ca 0.05 -2.34 -0.14 0.00 0.52 0.00 0.00 54.79 52.89 2rnz n ASP 33 Cb 0.26 -0.28 -0.10 0.00 -0.72 0.00 0.00 41.12 40.29 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 -0.83 1.34 -0.03 -0.67 0.41 -1.22 -5.17 118.70 112.54 2rnz s GLU 34 Ca 0.12 -1.72 -0.00 0.00 -0.41 0.00 0.00 54.97 52.96 2rnz s GLU 34 Cb 0.11 0.28 0.03 0.00 -1.78 0.00 0.00 34.13 32.78 2rnz s GLU 34 CO -0.01 -0.45 0.03 -1.21 -0.49 0.00 0.00 175.26 173.12 2rnz s GLU 35 N -3.98 0.04 0.08 1.61 0.41 -1.26 -0.79 118.70 114.80 2rnz s GLU 35 Ca 0.39 0.19 0.01 0.00 -0.41 0.00 0.00 54.97 55.16 2rnz s GLU 35 Cb 0.06 -0.35 -0.04 0.00 -1.78 0.00 0.00 34.13 32.02 2rnz s GLU 35 CO 0.16 -0.19 -0.06 0.50 -0.49 0.00 0.00 175.26 175.18 2rnz s ARG 36 N 1.25 0.73 -0.05 1.61 6.06 -0.41 -4.97 118.95 123.17 2rnz s ARG 36 Ca -0.07 -1.20 0.03 0.00 -2.50 0.00 0.00 55.73 51.99 2rnz s ARG 36 Cb -0.13 -0.15 0.01 0.00 0.06 0.00 0.00 34.95 34.74 2rnz s ARG 36 CO -0.03 -0.02 -0.12 -1.17 -2.50 0.00 0.00 175.30 171.46 2rnz s LEU 37 N -2.74 1.73 0.26 -0.88 1.98 -1.26 -0.51 118.68 117.25 2rnz s LEU 37 Ca 0.07 -0.28 0.02 0.00 -2.89 0.00 0.00 54.13 51.05 2rnz s LEU 37 Cb 0.03 -0.78 -0.03 0.00 0.66 0.00 0.00 46.19 46.06 2rnz s LEU 37 CO -0.05 0.06 0.21 0.00 -1.89 0.00 0.00 176.35 174.69 2rnz s ALA 38 N 0.43 1.41 0.24 5.97 0.00 -0.38 -4.82 121.76 124.61 2rnz s ALA 38 Ca -0.10 -1.83 0.11 0.00 0.00 0.00 0.00 51.96 50.14 2rnz s ALA 38 Cb -0.13 1.41 -0.05 0.00 0.00 0.00 0.00 23.12 24.35 2rnz s ALA 38 CO 0.03 -0.63 -0.20 -2.00 0.00 0.00 0.00 175.76 172.95 2rnz s GLU 39 N -3.82 1.57 -0.23 0.00 2.12 -0.36 -0.32 118.70 117.65 2rnz s GLU 39 Ca 0.39 -1.66 -0.10 0.00 0.36 0.00 0.00 54.97 53.96 2rnz s GLU 39 Cb 0.05 -1.68 -0.05 0.00 0.26 0.00 0.00 34.13 32.70 2rnz s GLU 39 CO 0.19 0.33 0.15 0.42 -0.54 0.00 0.00 175.26 175.81 2rnz s ILE 40 N -2.31 5.36 -0.03 -3.70 -1.09 0.42 -0.10 121.20 119.75 2rnz s ILE 40 Ca 0.26 0.18 -0.03 0.00 -2.23 0.00 0.00 60.65 58.82 2rnz s ILE 40 Cb -0.05 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 2rnz s ILE 40 CO 0.12 0.37 -0.07 0.18 -1.23 0.00 0.00 174.94 174.31 2rnz n LEU 41 N 4.13 0.36 -4.38 2.97 4.77 -0.45 -0.13 117.00 124.28 2rnz n LEU 41 Ca -0.15 0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 55.64 2rnz n LEU 41 Cb 0.52 -0.54 -0.12 0.00 -2.33 0.00 0.00 43.42 40.95 2rnz n LEU 41 CO 0.35 -0.46 -0.52 -0.44 -1.33 0.00 0.00 177.39 175.00 2rnz s SER 42 N -4.37 3.10 -0.11 -1.43 0.01 -1.26 -4.36 113.70 105.29 2rnz s SER 42 Ca -0.05 -0.83 0.01 0.00 1.31 0.00 0.00 55.95 56.39 2rnz s SER 42 Cb 0.01 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.05 2rnz s SER 42 CO 0.08 0.08 -0.12 -0.63 0.41 0.00 0.00 173.24 173.05 2rnz s ILE 43 N -1.64 1.31 -0.16 1.44 1.01 -1.26 -1.34 121.20 120.56 2rnz s ILE 43 Ca 0.17 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.24 2rnz s ILE 43 Cb -0.08 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 2rnz s ILE 43 CO 0.08 0.41 0.07 0.20 0.00 0.00 0.00 174.94 175.70 2rnz s ASN 44 N 1.20 5.76 -0.31 3.58 0.02 -0.42 -5.00 114.94 119.76 2rnz s ASN 44 Ca -0.03 0.17 0.07 0.00 -1.02 0.00 0.00 52.86 52.05 2rnz s ASN 44 Cb -0.14 -1.92 0.46 0.00 0.02 0.00 0.00 41.25 39.67 2rnz s ASN 44 CO -0.04 0.25 1.24 0.35 0.02 0.00 0.00 177.10 178.92 2rnz n THR 45 N 3.05 2.58 -0.10 1.60 -2.24 -1.26 -2.23 114.28 115.68 2rnz n THR 45 Ca -0.17 -4.11 -0.12 0.00 -2.27 0.00 0.00 64.05 57.37 2rnz n THR 45 Cb 0.53 -1.11 -0.15 0.00 -2.10 0.00 0.00 70.33 67.50 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 -0.74 0.68 -2.93 -0.78 3.00 -1.26 -4.99 116.66 109.64 2rnz n ARG 46 Ca 0.44 0.07 -0.18 0.00 -0.00 0.00 0.00 57.85 58.18 2rnz n ARG 46 Cb 0.95 -1.55 0.02 0.00 0.00 0.00 0.00 32.46 31.87 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 -2.51 2.69 -0.15 -0.14 -0.14 -1.26 -5.04 119.74 113.18 2rnz s LYS 47 Ca -0.16 -1.19 -0.04 0.00 -1.36 0.00 0.00 55.97 53.22 2rnz s LYS 47 Cb 0.07 -2.69 0.05 0.00 -1.68 0.00 0.00 37.83 33.59 2rnz s LYS 47 CO 0.77 -0.45 0.07 0.00 -0.76 0.00 0.00 175.35 174.99 2rnz s ALA 48 N -2.48 0.49 0.96 5.17 0.00 -1.26 -2.48 121.76 122.16 2rnz s ALA 48 Ca 0.56 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.11 2rnz s ALA 48 Cb -0.09 -0.99 0.17 0.00 0.00 0.00 0.00 23.12 22.20 2rnz s ALA 48 CO 0.35 -1.06 1.09 -1.25 0.00 0.00 0.00 175.76 174.89 2rnz s PRO 49 N 2.09 0.73 0.87 0.00 0.04 -1.26 -4.56 135.00 132.92 2rnz s PRO 49 Ca 0.02 0.63 -0.11 0.00 0.04 0.00 0.00 61.00 61.58 2rnz s PRO 49 Cb -0.16 -1.76 0.11 0.00 0.04 0.00 0.00 34.50 32.73 2rnz s PRO 49 CO -0.08 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.25 2rnz s PRO 50 N -4.95 1.50 0.15 0.56 0.04 -1.03 -4.99 135.00 126.27 2rnz s PRO 50 Ca 0.65 0.90 0.06 0.00 0.04 0.00 0.00 61.00 62.64 2rnz s PRO 50 Cb -0.18 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2rnz s PRO 50 CO 0.57 -2.10 0.06 0.15 0.04 0.00 0.00 177.00 175.73 2rnz s LYS 51 N -4.93 2.68 -0.04 4.56 1.02 -0.95 -4.27 119.74 117.81 2rnz s LYS 51 Ca 0.63 -0.93 0.01 0.00 0.02 0.00 0.00 55.97 55.71 2rnz s LYS 51 Cb -0.18 -2.54 0.02 0.00 -0.52 0.00 0.00 37.83 34.61 2rnz s LYS 51 CO 0.57 0.49 -0.06 -0.06 -0.92 0.00 0.00 175.35 175.37 2rnz s PHE 52 N -1.64 0.84 -0.42 3.18 0.08 0.85 -1.31 117.98 119.57 2rnz s PHE 52 Ca 0.29 -0.24 -0.26 0.00 0.12 0.00 0.00 56.93 56.83 2rnz s PHE 52 Cb -0.10 -0.70 0.02 0.00 -0.57 0.00 0.00 43.02 41.67 2rnz s PHE 52 CO 0.21 -0.18 0.95 -0.47 -0.10 0.00 0.00 175.22 175.63 2rnz s TYR 53 N 0.76 2.99 0.27 0.36 5.04 -0.45 -1.38 117.35 124.93 2rnz s TYR 53 Ca -0.11 0.62 -0.09 0.00 -2.44 0.00 0.00 57.07 55.05 2rnz s TYR 53 Cb -0.14 -3.86 -0.07 0.00 0.35 0.00 0.00 41.96 38.24 2rnz s TYR 53 CO 0.01 -0.98 0.58 0.14 -1.34 0.00 0.00 175.55 173.96 2rnz s VAL 54 N 3.70 4.93 0.12 3.14 -7.23 -0.09 -1.34 120.40 123.62 2rnz s VAL 54 Ca 0.39 0.41 0.02 0.00 -1.81 0.00 0.00 61.98 60.99 2rnz s VAL 54 Cb -0.11 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.13 2rnz s VAL 54 CO 0.23 -0.19 -0.07 -2.28 -0.31 0.00 0.00 175.10 172.49 2rnz s HIS 55 N -1.95 1.03 0.31 2.82 2.46 0.86 -2.93 115.29 117.89 2rnz s HIS 55 Ca 0.47 -0.88 0.05 0.00 0.47 0.00 0.00 55.06 55.17 2rnz s HIS 55 Cb -0.11 -0.57 0.05 0.00 -0.13 0.00 0.00 32.58 31.82 2rnz s HIS 55 CO 0.24 -0.09 0.43 2.48 -2.47 0.00 0.00 174.74 175.32 2rnz n TYR 56 N -0.11 -2.63 0.00 3.88 4.11 -1.26 -1.22 117.16 119.93 2rnz n TYR 56 Ca -0.11 -1.12 0.00 0.00 -0.00 0.00 0.00 57.90 56.67 2rnz n TYR 56 Cb 0.61 -0.29 0.00 0.00 -0.00 0.00 0.00 39.34 39.66 2rnz n TYR 56 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 2rnz n VAL 57 N -1.68 0.00 0.00 -3.48 0.24 -1.26 -4.81 118.33 107.34 2rnz n VAL 57 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 2rnz n VAL 57 Cb 0.32 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 2rnz n VAL 57 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2rnz n ASN 58 N -1.92 0.00 -3.17 -1.34 2.85 -1.26 -5.04 115.26 105.38 2rnz n ASN 58 Ca 0.00 0.19 0.05 0.00 -0.11 0.00 0.00 54.58 54.71 2rnz n ASN 58 Cb 0.20 -0.30 -0.02 0.00 1.24 0.00 0.00 39.78 40.91 2rnz n ASN 58 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 2rnz s TYR 59 N -0.59 -0.45 -0.28 1.20 5.04 -1.26 -5.16 117.35 115.84 2rnz s TYR 59 Ca 0.00 0.50 -0.16 0.00 -2.44 0.00 0.00 57.07 54.97 2rnz s TYR 59 Cb 0.00 0.17 0.11 0.00 0.35 0.00 0.00 41.96 42.59 2rnz s TYR 59 CO 0.00 -0.24 0.84 -0.80 -1.34 0.00 0.00 175.55 174.01 2rnz s ASN 60 N 2.88 -0.71 -0.02 4.32 0.01 -1.26 -5.04 114.94 115.12 2rnz s ASN 60 Ca -0.03 1.14 0.18 0.00 -0.71 0.00 0.00 52.86 53.45 2rnz s ASN 60 Cb -0.09 1.29 -0.20 0.00 0.41 0.00 0.00 41.25 42.66 2rnz s ASN 60 CO -0.11 -0.18 0.58 1.17 -1.51 0.00 0.00 177.10 177.05 2rnz n LYS 61 N 3.95 0.64 0.10 -0.60 3.00 -1.26 -3.93 118.16 120.07 2rnz n LYS 61 Ca -0.19 0.10 0.01 0.00 -0.00 0.00 0.00 58.31 58.23 2rnz n LYS 61 Cb 0.58 -1.69 -0.02 0.00 0.00 0.00 0.00 35.03 33.90 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 0.00 -0.17 1.64 0.11 -2.02 -3.31 114.38 110.63 2rnz h ARG 62 Ca -0.23 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.67 2rnz h ARG 62 Cb 1.67 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.74 2rnz h ARG 62 CO 0.04 0.47 -0.63 -0.07 0.10 0.00 0.00 179.97 179.88 2rnz h LEU 63 N 0.00 0.67 -6.72 0.08 3.38 -1.95 -3.36 115.31 107.41 2rnz h LEU 63 Ca -0.06 -0.39 -0.67 0.00 0.09 0.00 0.00 57.88 56.85 2rnz h LEU 63 Cb 1.48 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 2rnz h LEU 63 CO 0.06 1.13 2.64 -0.67 0.09 0.00 0.00 178.44 181.70 2rnz n ASP 64 N -3.93 3.97 -2.04 -0.43 2.03 -1.25 -4.31 116.55 110.60 2rnz n ASP 64 Ca -0.04 -2.84 -0.09 0.00 0.52 0.00 0.00 54.79 52.34 2rnz n ASP 64 Cb 0.65 -1.63 -0.04 0.00 -0.72 0.00 0.00 41.12 39.39 2rnz n ASP 64 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2rnz n GLU 65 N 7.01 0.19 -3.98 -0.67 -0.58 -1.15 -4.97 120.64 116.49 2rnz n GLU 65 Ca 0.50 -1.56 -0.35 0.00 -0.42 0.00 0.00 57.16 55.33 2rnz n GLU 65 Cb 0.42 1.28 -0.09 0.00 -0.57 0.00 0.00 31.44 32.48 2rnz n GLU 65 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2rnz s TRP 66 N -2.64 3.34 0.12 -0.32 0.52 -1.26 -0.92 118.94 117.78 2rnz s TRP 66 Ca 0.19 0.22 -0.04 0.00 0.02 0.00 0.00 56.10 56.49 2rnz s TRP 66 Cb 0.01 -2.03 -0.03 0.00 -1.15 0.00 0.00 33.47 30.27 2rnz s TRP 66 CO 0.13 0.33 0.11 0.96 0.02 0.00 0.00 176.95 178.51 2rnz s ILE 67 N -0.07 0.12 0.46 2.03 -4.36 -0.48 -4.96 121.20 113.94 2rnz s ILE 67 Ca 0.08 -1.67 0.08 0.00 -0.26 0.00 0.00 60.65 58.88 2rnz s ILE 67 Cb -0.12 -1.81 0.03 0.00 1.25 0.00 0.00 42.46 41.81 2rnz s ILE 67 CO 0.01 -0.54 0.63 0.42 0.24 0.00 0.00 174.94 175.69 2rnz s THR 68 N -3.98 2.79 0.59 8.37 -4.23 -1.26 -0.11 115.64 117.81 2rnz s THR 68 Ca 0.17 -1.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.97 2rnz s THR 68 Cb 0.06 -2.79 0.36 0.00 1.34 0.00 0.00 72.50 71.47 2rnz s THR 68 CO -0.02 0.00 2.13 0.00 -0.54 0.00 0.00 174.62 176.18 2rnz h THR 69 N 0.52 0.50 -0.34 3.99 1.03 -1.85 -0.74 112.91 116.02 2rnz h THR 69 Ca -0.38 0.00 0.10 0.00 -0.01 0.00 0.00 66.41 66.12 2rnz h THR 69 Cb 1.28 0.87 -0.01 0.00 -1.07 0.00 0.00 68.15 69.22 2rnz h THR 69 CO 0.44 0.00 0.33 -0.78 -0.01 0.00 0.00 175.52 175.50 2rnz h ASP 70 N 0.00 0.00 0.00 0.00 3.58 -1.94 0.05 116.42 118.11 2rnz h ASP 70 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2rnz h ASP 70 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2rnz h ASP 70 CO -0.00 0.00 -1.89 0.54 -2.88 0.00 0.00 179.24 175.01 2rnz n ARG 71 N -3.92 0.60 -3.55 0.28 5.12 -0.30 -4.88 116.66 110.01 2rnz n ARG 71 Ca 0.05 -0.18 -0.39 0.00 -1.93 0.00 0.00 57.85 55.40 2rnz n ARG 71 Cb 0.49 -1.47 -0.11 0.00 -1.16 0.00 0.00 32.46 30.21 2rnz n ARG 71 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2rnz s ILE 72 N -3.37 5.29 -0.23 0.55 1.01 0.01 -4.49 121.20 119.96 2rnz s ILE 72 Ca -0.07 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.25 2rnz s ILE 72 Cb 0.13 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.97 2rnz s ILE 72 CO 0.83 0.10 1.03 0.21 0.00 0.00 0.00 174.94 177.10 2rnz s ASN 73 N 1.74 7.09 0.00 3.58 3.84 -1.24 -4.74 114.94 125.20 2rnz s ASN 73 Ca 0.07 1.37 0.00 0.00 0.21 0.00 0.00 52.86 54.50 2rnz s ASN 73 Cb -0.17 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 2rnz s ASN 73 CO 0.11 -0.66 0.00 0.18 -2.79 0.00 0.00 177.10 173.94 2rnz n LEU 74 N 6.28 1.33 0.04 3.21 7.99 -1.26 -4.67 117.00 129.93 2rnz n LEU 74 Ca 0.12 0.28 0.00 0.00 -0.01 0.00 0.00 56.01 56.39 2rnz n LEU 74 Cb 0.46 -0.28 0.00 0.00 -0.11 0.00 0.00 43.42 43.49 2rnz n LEU 74 CO 0.52 -0.28 0.00 -0.67 -1.51 0.00 0.00 177.39 175.45 2rnz n ASP 75 N -1.33 0.02 -3.17 -1.43 -0.08 -1.26 -5.07 116.55 104.24 2rnz n ASP 75 Ca 0.00 0.14 -0.23 0.00 -1.51 0.00 0.00 54.79 53.19 2rnz n ASP 75 Cb 0.00 0.09 0.22 0.00 2.34 0.00 0.00 41.12 43.77 2rnz n ASP 75 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2rnz n LYS 76 N -2.82 -4.12 -3.35 -0.67 4.76 -1.26 -4.96 118.16 105.73 2rnz n LYS 76 Ca 0.00 -1.09 -0.38 0.00 -2.87 0.00 0.00 58.31 53.97 2rnz n LYS 76 Cb 0.00 -1.40 -0.07 0.00 -1.84 0.00 0.00 35.03 31.72 2rnz n LYS 76 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2rnz s GLU 77 N -4.55 4.22 -0.26 1.97 -1.05 -1.26 -5.01 118.70 112.75 2rnz s GLU 77 Ca 0.50 0.29 -0.19 0.00 -0.15 0.00 0.00 54.97 55.42 2rnz s GLU 77 Cb -0.09 -3.51 -0.02 0.00 -0.44 0.00 0.00 34.13 30.07 2rnz s GLU 77 CO 0.42 -0.00 0.56 0.08 0.95 0.00 0.00 175.26 177.26 2rnz s VAL 78 N 1.18 5.03 -0.41 1.83 1.01 -1.26 -4.83 120.40 122.95 2rnz s VAL 78 Ca 0.21 0.96 0.01 0.00 0.00 0.00 0.00 61.98 63.17 2rnz s VAL 78 Cb -0.15 -3.87 0.14 0.00 0.00 0.00 0.00 36.38 32.50 2rnz s VAL 78 CO 0.08 0.05 0.23 -0.76 0.00 0.00 0.00 175.10 174.71 2rnz s LEU 79 N 2.39 2.11 -0.70 3.92 1.43 -1.26 -5.05 118.68 121.52 2rnz s LEU 79 Ca 0.23 -2.50 -0.00 0.00 -1.03 0.00 0.00 54.13 50.83 2rnz s LEU 79 Cb -0.16 -0.81 0.17 0.00 0.03 0.00 0.00 46.19 45.43 2rnz s LEU 79 CO 0.09 -0.28 0.51 -0.31 0.23 0.00 0.00 176.35 176.60 2rnz s TYR 80 N 0.57 3.53 -1.07 0.29 2.02 -1.26 -4.87 117.35 116.56 2rnz s TYR 80 Ca 0.18 -2.99 -0.23 0.00 -0.37 0.00 0.00 57.07 53.66 2rnz s TYR 80 Cb -0.23 -3.06 -0.07 0.00 -0.40 0.00 0.00 41.96 38.20 2rnz s TYR 80 CO -0.00 -0.74 1.94 -1.25 -1.57 0.00 0.00 175.55 173.93 2rnz s PRO 81 N -0.70 2.52 0.06 -1.71 0.04 -1.26 -4.91 135.00 129.03 2rnz s PRO 81 Ca 0.21 -0.80 0.05 0.00 0.04 0.00 0.00 61.00 60.51 2rnz s PRO 81 Cb -0.15 -5.17 -0.03 0.00 0.04 0.00 0.00 34.50 29.20 2rnz s PRO 81 CO -0.07 -3.73 -0.14 -1.59 0.04 0.00 0.00 177.00 171.50 2rnz s LYS 82 N 6.70 0.89 0.29 4.56 0.00 -1.26 -5.16 119.74 125.76 2rnz s LYS 82 Ca 0.69 -0.86 0.05 0.00 0.00 0.00 0.00 55.97 55.86 2rnz s LYS 82 Cb -0.03 -0.91 -0.06 0.00 0.00 0.00 0.00 37.83 36.83 2rnz s LYS 82 CO 0.07 0.21 -0.01 -1.17 0.00 0.00 0.00 175.35 174.46 2rnz s LEU 83 N -1.43 2.37 -0.20 2.77 2.96 -1.26 -5.15 118.68 118.73 2rnz s LEU 83 Ca 0.00 -1.26 -0.08 0.00 -0.22 0.00 0.00 54.13 52.57 2rnz s LEU 83 Cb -0.09 -0.52 0.09 0.00 0.50 0.00 0.00 46.19 46.17 2rnz s LEU 83 CO 0.02 -0.45 0.45 -0.75 -1.32 0.00 0.00 176.35 174.30 2rnz s LYS 84 N -3.80 0.39 -0.15 1.98 2.36 -1.26 -5.12 119.74 114.13 2rnz s LYS 84 Ca 0.32 1.02 -0.29 0.00 -2.55 0.00 0.00 55.97 54.47 2rnz s LYS 84 Cb 0.06 0.28 -0.04 0.00 -1.05 0.00 0.00 37.83 37.08 2rnz s LYS 84 CO 0.13 -0.22 1.63 0.00 1.55 0.00 0.00 175.35 178.44 2rnz s ALA 85 N 2.27 3.40 0.13 3.13 0.00 -1.26 -4.98 121.76 124.46 2rnz s ALA 85 Ca -0.05 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 2rnz s ALA 85 Cb -0.11 -3.81 -0.06 0.00 0.00 0.00 0.00 23.12 19.14 2rnz s ALA 85 CO -0.14 -1.73 0.96 0.99 0.00 0.00 0.00 175.76 175.84 2rnz s THR 86 N 4.79 4.44 -0.32 0.00 2.01 -1.26 -4.96 115.64 120.33 2rnz s THR 86 Ca 0.72 2.07 0.07 0.00 0.31 0.00 0.00 61.69 64.86 2rnz s THR 86 Cb -0.28 -4.32 0.46 0.00 0.01 0.00 0.00 72.50 68.36 2rnz s THR 86 CO 0.29 0.34 1.30 -0.90 -0.69 0.00 0.00 174.62 174.97 2rnz n ASP 87 N 2.60 4.73 -4.71 3.53 5.75 -1.26 -5.03 116.55 122.16 2rnz n ASP 87 Ca 0.02 -3.77 -0.32 0.00 -0.01 0.00 0.00 54.79 50.70 2rnz n ASP 87 Cb 0.49 -0.45 -0.08 0.00 -1.03 0.00 0.00 41.12 40.05 2rnz n ASP 87 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2rnz s GLU 88 N -3.57 2.17 0.00 0.11 0.41 -1.26 -5.38 118.70 111.18 2rnz s GLU 88 Ca 0.51 -2.38 0.06 0.00 -0.41 0.00 0.00 54.97 52.76 2rnz s GLU 88 Cb 0.42 -1.47 0.05 0.00 -1.78 0.00 0.00 34.13 31.35 2rnz s GLU 88 CO 0.02 -0.36 0.71 -0.25 -0.49 0.00 0.00 175.26 174.89