#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 1.08 2.63 3.03 0.00 -1.26 -4.79 105.19 105.88 2rnz n GLY -3 Ca 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.34 2rnz n GLY -3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rnz n SER -2 N 0.00 -5.06 -4.89 1.61 2.88 -1.26 -4.97 113.62 101.93 2rnz n SER -2 Ca 0.00 0.13 -0.29 0.00 -1.33 0.00 0.00 58.87 57.37 2rnz n SER -2 Cb 0.00 -3.01 0.03 0.00 -0.75 0.00 0.00 64.21 60.48 2rnz n SER -2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2rnz s SER -1 N -2.28 5.82 0.22 -3.46 0.15 -1.26 -5.10 113.70 107.79 2rnz s SER -1 Ca 0.00 1.10 -0.10 0.00 0.70 0.00 0.00 55.95 57.65 2rnz s SER -1 Cb 0.00 -2.09 -0.01 0.00 -1.71 0.00 0.00 66.02 62.21 2rnz s SER -1 CO 0.00 -1.04 0.39 -1.00 1.20 0.00 0.00 173.24 172.79 2rnz s HIS 0 N -3.15 0.49 -1.13 3.44 0.09 -1.26 -5.08 115.29 108.70 2rnz s HIS 0 Ca 0.55 -0.83 -0.04 0.00 -0.00 0.00 0.00 55.06 54.74 2rnz s HIS 0 Cb -0.11 0.03 0.27 0.00 -0.00 0.00 0.00 32.58 32.76 2rnz s HIS 0 CO 0.50 -0.89 1.76 0.72 -0.00 0.00 0.00 174.74 176.84 2rnz n HIS 1 N -0.33 2.53 -1.65 1.40 -0.00 -1.26 -4.90 115.22 111.00 2rnz n HIS 1 Ca -0.02 -2.63 -0.42 0.00 -0.00 0.00 0.00 57.72 54.65 2rnz n HIS 1 Cb 0.63 -1.42 -0.01 0.00 -0.00 0.00 0.00 29.99 29.19 2rnz n HIS 1 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2rnz n HIS 2 N 1.40 3.33 -4.01 4.41 -0.00 -1.26 -4.90 115.22 114.20 2rnz n HIS 2 Ca 0.39 -2.96 -0.24 0.00 -0.00 0.00 0.00 57.72 54.90 2rnz n HIS 2 Cb 0.31 -2.53 -0.01 0.00 -0.00 0.00 0.00 29.99 27.76 2rnz n HIS 2 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2rnz n HIS 3 N 5.78 -0.35 -4.57 4.41 -0.00 -1.26 -5.14 115.22 114.10 2rnz n HIS 3 Ca 0.56 -2.10 -0.27 0.00 -0.00 0.00 0.00 57.72 55.90 2rnz n HIS 3 Cb 0.37 -0.38 -0.17 0.00 -0.00 0.00 0.00 29.99 29.81 2rnz n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2rnz s HIS 4 N -2.47 1.82 -0.11 4.41 5.65 -1.26 -5.12 115.29 118.21 2rnz s HIS 4 Ca 0.22 -0.78 -0.06 0.00 0.25 0.00 0.00 55.06 54.68 2rnz s HIS 4 Cb -0.02 -1.31 0.05 0.00 -1.18 0.00 0.00 32.58 30.11 2rnz s HIS 4 CO 0.14 -0.40 0.27 -1.01 -0.65 0.00 0.00 174.74 173.10 2rnz s HIS 5 N 0.83 -0.37 -1.14 3.88 4.02 -1.26 -5.09 115.29 116.17 2rnz s HIS 5 Ca -0.10 0.85 -0.09 0.00 1.02 0.00 0.00 55.06 56.74 2rnz s HIS 5 Cb -0.15 0.09 0.26 0.00 -1.02 0.00 0.00 32.58 31.75 2rnz s HIS 5 CO 0.01 -0.24 1.33 0.43 1.02 0.00 0.00 174.74 177.30 2rnz n SER 6 N 4.06 5.67 -3.60 1.40 7.64 -1.26 -4.93 113.62 122.60 2rnz n SER 6 Ca -0.23 -3.13 -0.14 0.00 1.01 0.00 0.00 58.87 56.38 2rnz n SER 6 Cb 0.54 -1.39 -0.12 0.00 -1.01 0.00 0.00 64.21 62.22 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 0.74 0.48 -0.57 6.43 0.01 -1.26 -5.11 113.70 114.43 2rnz s SER 7 Ca 0.34 0.44 -0.09 0.00 1.31 0.00 0.00 55.95 57.94 2rnz s SER 7 Cb -0.03 0.74 0.15 0.00 0.21 0.00 0.00 66.02 67.08 2rnz s SER 7 CO -0.01 -0.26 0.45 -0.83 0.41 0.00 0.00 173.24 173.00 2rnz s GLY 8 N 2.43 2.24 -0.08 3.44 0.00 -1.26 -4.84 107.32 109.25 2rnz s GLY 8 Ca 0.03 -2.80 0.16 0.00 0.00 0.00 0.00 44.72 42.11 2rnz s GLY 8 CO -0.10 1.14 1.15 1.04 0.00 0.00 0.00 173.10 176.33 2rnz n LEU 9 N 4.52 1.56 -4.73 0.66 4.77 -1.26 -5.09 117.00 117.43 2rnz n LEU 9 Ca -0.02 -2.58 -0.34 0.00 -0.03 0.00 0.00 56.01 53.04 2rnz n LEU 9 Cb 0.41 -0.23 0.09 0.00 -2.33 0.00 0.00 43.42 41.36 2rnz n LEU 9 CO 0.41 0.77 0.77 0.68 -1.33 0.00 0.00 177.39 178.69 2rnz s VAL 10 N -1.44 2.49 -1.12 4.08 -7.23 -1.26 -4.85 120.40 111.07 2rnz s VAL 10 Ca 0.29 0.23 -0.23 0.00 -1.81 0.00 0.00 61.98 60.46 2rnz s VAL 10 Cb 0.30 -2.74 -0.10 0.00 0.56 0.00 0.00 36.38 34.40 2rnz s VAL 10 CO -0.08 -0.14 1.93 -0.81 -0.31 0.00 0.00 175.10 175.69 2rnz n PRO 11 N -2.81 1.59 -4.28 4.82 -0.04 -1.26 -4.90 135.00 128.11 2rnz n PRO 11 Ca 0.13 -2.37 -0.23 0.00 -0.04 0.00 0.00 63.50 60.98 2rnz n PRO 11 Cb 0.51 -3.60 -0.12 0.00 -0.04 0.00 0.00 33.50 30.24 2rnz n PRO 11 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2rnz s ARG 12 N 6.24 1.12 0.00 0.54 6.06 -1.26 -4.28 118.95 127.37 2rnz s ARG 12 Ca 0.67 -1.18 0.00 0.00 -2.50 0.00 0.00 55.73 52.72 2rnz s ARG 12 Cb 0.02 -1.34 0.00 0.00 0.06 0.00 0.00 34.95 33.69 2rnz s ARG 12 CO 0.14 0.31 0.00 0.41 -2.50 0.00 0.00 175.30 173.65 2rnz n GLY 13 N 0.99 0.65 2.62 8.12 0.00 -1.26 -4.65 105.19 111.66 2rnz n GLY 13 Ca -0.19 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 2rnz n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rnz n SER 14 N 0.00 -4.55 -0.01 1.61 7.64 -1.26 -4.88 113.62 112.17 2rnz n SER 14 Ca 0.00 0.02 -0.01 0.00 1.01 0.00 0.00 58.87 59.89 2rnz n SER 14 Cb 0.00 -3.81 -0.00 0.00 -1.01 0.00 0.00 64.21 59.39 2rnz n SER 14 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2rnz n HIS 15 N -3.72 0.09 -4.30 1.43 -0.00 -1.26 -5.05 115.22 102.41 2rnz n HIS 15 Ca -0.15 0.04 -0.16 0.00 -0.00 0.00 0.00 57.72 57.45 2rnz n HIS 15 Cb 0.62 -0.22 -0.10 0.00 -0.00 0.00 0.00 29.99 30.29 2rnz n HIS 15 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2rnz s MET 16 N -1.24 1.19 -0.02 1.57 -1.94 -1.26 -4.81 119.30 112.80 2rnz s MET 16 Ca -0.03 -1.52 0.00 0.00 -1.71 0.00 0.00 55.69 52.43 2rnz s MET 16 Cb 0.00 -0.85 0.03 0.00 2.01 0.00 0.00 34.83 36.02 2rnz s MET 16 CO 0.05 0.12 0.02 -1.12 -0.01 0.00 0.00 175.02 174.08 2rnz s SER 17 N -3.24 0.15 0.00 3.03 0.01 -1.26 -4.91 113.70 107.48 2rnz s SER 17 Ca 0.20 0.03 0.27 0.00 1.31 0.00 0.00 55.95 57.76 2rnz s SER 17 Cb 0.01 -0.10 0.93 0.00 0.21 0.00 0.00 66.02 67.07 2rnz s SER 17 CO 0.04 -0.12 1.69 0.55 0.41 0.00 0.00 173.24 175.80 2rnz n VAL 18 N 4.18 0.00 0.65 3.43 3.14 -1.26 -3.58 118.33 124.89 2rnz n VAL 18 Ca -0.28 -0.03 0.09 0.00 -2.96 0.00 0.00 64.34 61.15 2rnz n VAL 18 Cb 0.50 -0.01 0.39 0.00 -1.06 0.00 0.00 33.84 33.66 2rnz n VAL 18 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2rnz n ASP 19 N -1.23 0.00 -1.98 6.55 2.03 -1.26 -2.38 116.55 118.29 2rnz n ASP 19 Ca 0.09 0.41 -0.01 0.00 0.52 0.00 0.00 54.79 55.81 2rnz n ASP 19 Cb 0.32 -0.46 0.34 0.00 -0.72 0.00 0.00 41.12 40.60 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 -1.46 5.20 -4.05 1.67 -0.08 -1.23 -4.90 116.55 111.69 2rnz n ASP 20 Ca 0.05 -3.11 -0.22 0.00 -1.51 0.00 0.00 54.79 50.01 2rnz n ASP 20 Cb 0.19 -0.73 -0.15 0.00 2.34 0.00 0.00 41.12 42.77 2rnz n ASP 20 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2rnz s ILE 21 N -2.89 0.96 0.15 5.18 1.01 -1.00 -5.15 121.20 119.46 2rnz s ILE 21 Ca 0.55 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.75 2rnz s ILE 21 Cb 0.43 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 42.06 2rnz s ILE 21 CO 0.14 0.29 0.08 2.30 0.00 0.00 0.00 174.94 177.75 2rnz n ILE 22 N 3.14 0.00 -3.06 2.92 -5.35 -1.26 -5.07 119.36 110.68 2rnz n ILE 22 Ca -0.17 -0.93 -0.37 0.00 -0.27 0.00 0.00 62.75 61.00 2rnz n ILE 22 Cb 0.54 0.38 -0.06 0.00 -1.74 0.00 0.00 39.64 38.77 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 -2.28 4.51 -1.39 7.28 -1.09 -1.26 -3.87 121.20 123.10 2rnz s ILE 23 Ca 0.11 1.42 -0.03 0.00 -2.23 0.00 0.00 60.65 59.92 2rnz s ILE 23 Cb 0.01 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 2rnz s ILE 23 CO 0.08 0.30 0.36 0.29 -1.23 0.00 0.00 174.94 174.74 2rnz n LYS 24 N 0.99 -3.32 -3.53 2.79 5.02 0.82 -5.00 118.16 115.93 2rnz n LYS 24 Ca -0.03 0.81 -0.23 0.00 -2.02 0.00 0.00 58.31 56.83 2rnz n LYS 24 Cb 0.50 -5.36 -0.01 0.00 -0.02 0.00 0.00 35.03 30.14 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 -4.23 4.19 -0.12 0.00 -2.07 -1.26 -0.91 119.66 115.27 2rnz s GLN 26 Ca 0.38 0.20 0.01 0.00 -1.82 0.00 0.00 55.36 54.13 2rnz s GLN 26 Cb -0.09 -3.52 0.02 0.00 -1.09 0.00 0.00 33.01 28.32 2rnz s GLN 26 CO 0.34 -0.00 -0.14 0.00 -1.32 0.00 0.00 175.29 174.17 2rnz s TRP 28 N 1.19 3.42 -0.37 0.00 0.52 -1.26 -1.07 118.94 121.37 2rnz s TRP 28 Ca -0.03 0.58 -0.14 0.00 0.02 0.00 0.00 56.10 56.53 2rnz s TRP 28 Cb -0.14 -2.40 -0.00 0.00 -1.15 0.00 0.00 33.47 29.78 2rnz s TRP 28 CO -0.05 0.15 0.27 0.08 0.02 0.00 0.00 176.95 177.42 2rnz s VAL 29 N 0.78 5.27 -0.65 4.03 1.01 0.64 -4.51 120.40 126.98 2rnz s VAL 29 Ca 0.17 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 2rnz s VAL 29 Cb -0.14 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.48 2rnz s VAL 29 CO 0.05 -0.14 1.05 -1.10 0.00 0.00 0.00 175.10 174.96 2rnz s GLN 30 N 1.71 3.22 0.75 2.72 -0.21 -1.26 -1.32 119.66 125.25 2rnz s GLN 30 Ca 0.06 -0.46 -0.12 0.00 0.02 0.00 0.00 55.36 54.86 2rnz s GLN 30 Cb -0.18 -4.15 0.04 0.00 1.00 0.00 0.00 33.01 29.71 2rnz s GLN 30 CO 0.10 -1.80 1.10 0.21 -2.12 0.00 0.00 175.29 172.78 2rnz s LYS 31 N 4.52 2.52 0.07 2.91 2.47 -0.71 -4.99 119.74 126.53 2rnz s LYS 31 Ca 0.29 0.48 -0.25 0.00 -1.56 0.00 0.00 55.97 54.93 2rnz s LYS 31 Cb -0.13 -1.98 -0.11 0.00 -1.46 0.00 0.00 37.83 34.15 2rnz s LYS 31 CO 0.15 -1.28 1.39 -0.91 0.16 0.00 0.00 175.35 174.86 2rnz h ASN 32 N -0.83 -1.13 0.00 1.43 4.21 -2.03 -3.29 115.58 113.94 2rnz h ASN 32 Ca -0.46 0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.17 2rnz h ASN 32 Cb 1.27 0.41 0.00 0.00 -1.12 0.00 0.00 38.32 38.88 2rnz h ASN 32 CO 0.63 -0.40 -0.06 -0.67 -1.29 0.00 0.00 177.43 175.63 2rnz n ASP 33 N -4.60 2.04 -3.20 5.81 2.03 -1.26 -5.05 116.55 112.33 2rnz n ASP 33 Ca -0.06 -2.91 -0.19 0.00 0.52 0.00 0.00 54.79 52.14 2rnz n ASP 33 Cb 0.30 -0.39 -0.08 0.00 -0.72 0.00 0.00 41.12 40.24 2rnz n ASP 33 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2rnz n GLU 34 N -1.23 0.41 -3.71 -0.67 1.02 -1.24 -5.17 120.64 110.05 2rnz n GLU 34 Ca 0.13 -3.28 -0.18 0.00 -0.02 0.00 0.00 57.16 53.82 2rnz n GLU 34 Cb 0.63 2.70 -0.17 0.00 -0.02 0.00 0.00 31.44 34.59 2rnz n GLU 34 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2rnz s GLU 35 N -3.33 -0.06 0.20 3.49 2.12 -1.26 -1.74 118.70 118.12 2rnz s GLU 35 Ca 0.39 0.30 0.10 0.00 0.36 0.00 0.00 54.97 56.12 2rnz s GLU 35 Cb 0.02 -0.39 -0.04 0.00 0.26 0.00 0.00 34.13 33.97 2rnz s GLU 35 CO 0.28 -0.26 -0.19 0.50 -0.54 0.00 0.00 175.26 175.04 2rnz s ARG 36 N 1.70 1.40 -0.04 4.30 6.06 -0.44 -4.96 118.95 126.98 2rnz s ARG 36 Ca -0.01 -1.52 0.02 0.00 -2.50 0.00 0.00 55.73 51.72 2rnz s ARG 36 Cb -0.12 -1.50 0.01 0.00 0.06 0.00 0.00 34.95 33.40 2rnz s ARG 36 CO -0.03 0.30 -0.09 -1.17 -2.50 0.00 0.00 175.30 171.81 2rnz s LEU 37 N -2.89 1.61 0.12 -0.88 1.98 -1.26 -0.26 118.68 117.11 2rnz s LEU 37 Ca 0.20 -0.20 -0.02 0.00 -2.89 0.00 0.00 54.13 51.22 2rnz s LEU 37 Cb -0.05 -0.60 -0.04 0.00 0.66 0.00 0.00 46.19 46.16 2rnz s LEU 37 CO 0.09 0.02 0.07 0.00 -1.89 0.00 0.00 176.35 174.63 2rnz s ALA 38 N 0.55 0.75 0.25 5.97 0.00 -0.23 -4.74 121.76 124.31 2rnz s ALA 38 Ca -0.09 -1.39 0.10 0.00 0.00 0.00 0.00 51.96 50.57 2rnz s ALA 38 Cb -0.13 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 2rnz s ALA 38 CO 0.01 -0.49 -0.05 -2.00 0.00 0.00 0.00 175.76 173.24 2rnz s GLU 39 N -4.03 2.18 -0.23 0.00 2.12 -0.37 -0.74 118.70 117.63 2rnz s GLU 39 Ca 0.22 -1.43 -0.10 0.00 0.36 0.00 0.00 54.97 54.01 2rnz s GLU 39 Cb 0.07 -2.11 -0.05 0.00 0.26 0.00 0.00 34.13 32.30 2rnz s GLU 39 CO 0.00 0.37 0.15 0.42 -0.54 0.00 0.00 175.26 175.67 2rnz s ILE 40 N -2.23 5.38 -0.21 -3.70 -1.09 -0.08 -0.49 121.20 118.77 2rnz s ILE 40 Ca 0.30 0.19 -0.16 0.00 -2.23 0.00 0.00 60.65 58.74 2rnz s ILE 40 Cb -0.07 -3.49 -0.08 0.00 -1.58 0.00 0.00 42.46 37.24 2rnz s ILE 40 CO 0.18 0.38 -0.34 0.18 -1.23 0.00 0.00 174.94 174.11 2rnz n LEU 41 N 4.01 1.92 -4.20 2.97 4.77 -0.36 -0.13 117.00 125.98 2rnz n LEU 41 Ca -0.15 0.33 -0.16 0.00 -0.03 0.00 0.00 56.01 55.99 2rnz n LEU 41 Cb 0.52 -0.75 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 2rnz n LEU 41 CO 0.36 0.02 -0.05 -0.55 -1.33 0.00 0.00 177.39 175.84 2rnz s SER 42 N -6.45 1.08 -0.03 -1.43 0.15 -1.26 -4.40 113.70 101.35 2rnz s SER 42 Ca -0.32 -1.57 0.01 0.00 0.70 0.00 0.00 55.95 54.77 2rnz s SER 42 Cb 0.08 0.56 0.03 0.00 -1.71 0.00 0.00 66.02 64.97 2rnz s SER 42 CO 0.44 -1.09 -0.01 -0.63 1.20 0.00 0.00 173.24 173.15 2rnz s ILE 43 N -3.49 0.24 -0.31 6.45 1.01 -1.26 -0.71 121.20 123.12 2rnz s ILE 43 Ca 0.37 0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.95 2rnz s ILE 43 Cb 0.02 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 42.14 2rnz s ILE 43 CO 0.22 0.16 0.21 0.20 0.00 0.00 0.00 174.94 175.72 2rnz s ASN 44 N 0.99 5.97 -0.54 3.58 0.01 -0.82 -4.94 114.94 119.20 2rnz s ASN 44 Ca -0.10 -0.24 0.01 0.00 -0.71 0.00 0.00 52.86 51.82 2rnz s ASN 44 Cb -0.14 -2.11 0.49 0.00 0.41 0.00 0.00 41.25 39.90 2rnz s ASN 44 CO -0.01 -0.14 1.82 0.35 -1.51 0.00 0.00 177.10 177.60 2rnz n THR 45 N 5.07 3.29 0.02 1.60 -2.24 -1.26 -0.24 114.28 120.52 2rnz n THR 45 Ca -0.13 -3.00 -0.03 0.00 -2.27 0.00 0.00 64.05 58.61 2rnz n THR 45 Cb 0.51 -0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 67.66 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 1.80 0.00 -5.40 -0.78 9.65 -1.93 -3.48 114.38 114.24 2rnz h ARG 46 Ca 0.54 0.00 -0.65 0.00 -1.10 0.00 0.00 59.98 58.77 2rnz h ARG 46 Cb 1.32 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 29.79 2rnz h ARG 46 CO 1.28 0.42 -0.44 0.15 2.80 0.00 0.00 179.97 184.18 2rnz s LYS 47 N -2.80 2.22 -0.09 0.20 -0.14 -1.26 -5.08 119.74 112.79 2rnz s LYS 47 Ca -0.03 -2.30 -0.03 0.00 -1.36 0.00 0.00 55.97 52.25 2rnz s LYS 47 Cb 0.08 -1.70 0.04 0.00 -1.68 0.00 0.00 37.83 34.58 2rnz s LYS 47 CO 0.81 -0.46 0.07 0.00 -0.76 0.00 0.00 175.35 175.01 2rnz s ALA 48 N -2.86 0.31 0.97 5.17 0.00 -1.26 -2.82 121.76 121.27 2rnz s ALA 48 Ca 0.13 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.95 2rnz s ALA 48 Cb -0.00 -0.79 0.17 0.00 0.00 0.00 0.00 23.12 22.50 2rnz s ALA 48 CO 0.08 -0.77 1.09 -1.25 0.00 0.00 0.00 175.76 174.91 2rnz s PRO 49 N 2.16 0.70 0.97 0.00 0.04 -1.26 -4.79 135.00 132.81 2rnz s PRO 49 Ca 0.04 0.62 -0.16 0.00 0.04 0.00 0.00 61.00 61.54 2rnz s PRO 49 Cb -0.14 -1.76 0.24 0.00 0.04 0.00 0.00 34.50 32.88 2rnz s PRO 49 CO -0.05 -2.58 0.86 -0.35 0.04 0.00 0.00 177.00 174.92 2rnz n PRO 50 N -4.08 -2.69 -4.56 0.56 -0.04 -1.13 -4.98 135.00 118.07 2rnz n PRO 50 Ca 0.06 -1.37 -0.29 0.00 -0.04 0.00 0.00 63.50 61.85 2rnz n PRO 50 Cb 0.56 -1.29 -0.09 0.00 -0.04 0.00 0.00 33.50 32.65 2rnz n PRO 50 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2rnz s LYS 51 N -4.95 2.08 -0.07 0.54 1.02 0.67 -4.46 119.74 114.57 2rnz s LYS 51 Ca 0.56 -2.16 -0.04 0.00 0.02 0.00 0.00 55.97 54.35 2rnz s LYS 51 Cb -0.05 -1.67 0.03 0.00 -0.52 0.00 0.00 37.83 35.61 2rnz s LYS 51 CO 0.43 -0.18 0.18 -0.06 -0.92 0.00 0.00 175.35 174.80 2rnz s PHE 52 N -2.75 -0.21 -0.22 3.18 0.40 0.58 -1.94 117.98 117.02 2rnz s PHE 52 Ca 0.27 0.54 -0.29 0.00 -0.60 0.00 0.00 56.93 56.86 2rnz s PHE 52 Cb 0.06 -0.01 0.01 0.00 0.51 0.00 0.00 43.02 43.59 2rnz s PHE 52 CO 0.14 -0.16 1.02 0.71 0.70 0.00 0.00 175.22 177.63 2rnz s TYR 53 N 0.86 3.35 -0.08 0.36 2.02 0.12 -1.11 117.35 122.88 2rnz s TYR 53 Ca -0.06 1.44 -0.07 0.00 -0.37 0.00 0.00 57.07 58.01 2rnz s TYR 53 Cb -0.08 -3.24 -0.04 0.00 -0.40 0.00 0.00 41.96 38.20 2rnz s TYR 53 CO -0.05 -0.45 0.19 0.14 -1.57 0.00 0.00 175.55 173.81 2rnz s VAL 54 N 3.07 5.43 0.06 0.71 -7.23 0.54 -1.23 120.40 121.75 2rnz s VAL 54 Ca 0.43 0.22 0.06 0.00 -1.81 0.00 0.00 61.98 60.88 2rnz s VAL 54 Cb -0.15 -3.47 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 2rnz s VAL 54 CO 0.07 0.55 -0.17 -2.28 -0.31 0.00 0.00 175.10 172.96 2rnz s HIS 55 N -1.11 1.47 0.08 2.82 2.46 0.35 -2.66 115.29 118.71 2rnz s HIS 55 Ca 0.19 -0.40 0.02 0.00 0.47 0.00 0.00 55.06 55.35 2rnz s HIS 55 Cb -0.13 -0.84 -0.04 0.00 -0.13 0.00 0.00 32.58 31.44 2rnz s HIS 55 CO 0.08 0.09 0.12 0.71 -2.47 0.00 0.00 174.74 173.28 2rnz s TYR 56 N -1.01 3.27 -0.41 3.88 1.51 -1.26 -1.23 117.35 122.10 2rnz s TYR 56 Ca 0.03 0.11 0.04 0.00 -1.01 0.00 0.00 57.07 56.24 2rnz s TYR 56 Cb -0.09 -1.65 0.62 0.00 -0.11 0.00 0.00 41.96 40.74 2rnz s TYR 56 CO 0.02 0.54 1.84 1.33 -1.11 0.00 0.00 175.55 178.17 2rnz n VAL 57 N 0.31 3.01 -1.26 0.71 0.24 -1.26 -4.30 118.33 115.79 2rnz n VAL 57 Ca -0.08 -1.74 -0.02 0.00 -2.04 0.00 0.00 64.34 60.46 2rnz n VAL 57 Cb 0.52 -0.50 0.22 0.00 -1.47 0.00 0.00 33.84 32.61 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 -0.95 3.19 -3.53 -1.34 3.02 -1.26 -4.93 115.26 109.46 2rnz n ASN 58 Ca 0.54 -3.48 -0.26 0.00 -0.03 0.00 0.00 54.58 51.35 2rnz n ASN 58 Cb 1.57 -0.63 0.01 0.00 -0.61 0.00 0.00 39.78 40.11 2rnz n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rnz n TYR 59 N -0.87 -1.96 -3.91 3.10 9.36 -1.26 -4.94 117.16 116.68 2rnz n TYR 59 Ca 0.32 0.63 -0.35 0.00 3.32 0.00 0.00 57.90 61.82 2rnz n TYR 59 Cb 1.07 -3.47 -0.14 0.00 -0.63 0.00 0.00 39.34 36.17 2rnz n TYR 59 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2rnz s ASN 60 N -2.92 4.43 -0.03 2.98 -0.87 -1.26 -4.97 114.94 112.29 2rnz s ASN 60 Ca 0.49 -0.65 0.10 0.00 -1.57 0.00 0.00 52.86 51.23 2rnz s ASN 60 Cb -0.25 -1.73 -0.23 0.00 -0.02 0.00 0.00 41.25 39.02 2rnz s ASN 60 CO 0.60 -0.10 0.69 0.50 -2.57 0.00 0.00 177.10 176.23 2rnz h LYS 61 N 8.09 0.03 0.00 -0.60 3.64 -1.95 -3.26 116.57 122.52 2rnz h LYS 61 Ca -0.36 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 58.91 2rnz h LYS 61 Cb 1.13 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2rnz h LYS 61 CO 0.59 0.61 -0.29 0.07 -2.27 0.00 0.00 179.45 178.16 2rnz h ARG 62 N 0.01 0.00 0.06 1.90 0.11 -2.02 -2.83 114.38 111.61 2rnz h ARG 62 Ca -0.27 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.55 2rnz h ARG 62 Cb 2.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 33.06 2rnz h ARG 62 CO 0.09 0.29 -1.23 1.25 0.10 0.00 0.00 179.97 180.46 2rnz h LEU 63 N 0.00 0.21 -8.52 0.08 5.85 -2.00 -3.44 115.31 107.49 2rnz h LEU 63 Ca -0.00 -0.24 -0.57 0.00 0.84 0.00 0.00 57.88 57.90 2rnz h LEU 63 Cb 0.63 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2rnz h LEU 63 CO 0.04 1.19 1.55 -0.67 -0.34 0.00 0.00 178.44 180.21 2rnz n ASP 64 N -3.40 2.01 -3.07 1.25 2.03 -1.07 -4.89 116.55 109.41 2rnz n ASP 64 Ca -0.07 0.06 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 2rnz n ASP 64 Cb 1.00 -1.34 -0.06 0.00 -0.72 0.00 0.00 41.12 40.00 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 8.56 0.53 -5.24 -0.67 0.28 -1.09 -5.02 120.64 117.99 2rnz n GLU 65 Ca 0.43 -2.60 -0.31 0.00 -0.16 0.00 0.00 57.16 54.52 2rnz n GLU 65 Cb 0.32 1.68 -0.16 0.00 1.43 0.00 0.00 31.44 34.70 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 -2.84 2.33 0.28 -1.84 1.48 -1.26 -0.34 118.94 116.76 2rnz s TRP 66 Ca 0.21 -0.61 0.04 0.00 -1.06 0.00 0.00 56.10 54.68 2rnz s TRP 66 Cb 0.01 -1.52 -0.01 0.00 -1.16 0.00 0.00 33.47 30.78 2rnz s TRP 66 CO 0.15 -0.15 0.14 0.44 -4.06 0.00 0.00 176.95 173.47 2rnz n ILE 67 N 2.79 0.00 -3.16 0.66 -5.35 -0.26 -4.91 119.36 109.13 2rnz n ILE 67 Ca -0.17 -1.77 -0.13 0.00 -0.27 0.00 0.00 62.75 60.40 2rnz n ILE 67 Cb 0.52 0.72 0.04 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 -0.61 0.00 0.64 7.28 -2.24 -1.26 -0.31 114.28 117.78 2rnz n THR 68 Ca -0.01 -1.27 0.13 0.00 -2.27 0.00 0.00 64.05 60.64 2rnz n THR 68 Cb 0.45 -0.60 0.40 0.00 -2.10 0.00 0.00 70.33 68.48 2rnz n THR 68 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2rnz n THR 69 N -1.72 0.57 0.14 4.28 5.66 -1.26 -3.51 114.28 118.44 2rnz n THR 69 Ca 0.08 -0.28 0.18 0.00 -3.05 0.00 0.00 64.05 60.99 2rnz n THR 69 Cb 0.39 -0.57 0.78 0.00 -1.55 0.00 0.00 70.33 69.38 2rnz n THR 69 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2rnz h ASP 70 N 0.00 0.00 0.00 1.09 5.19 -1.95 -1.45 116.42 119.30 2rnz h ASP 70 Ca 0.00 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.24 2rnz h ASP 70 Cb 0.73 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.21 2rnz h ASP 70 CO 0.00 0.00 -1.94 0.54 -3.12 0.00 0.00 179.24 174.72 2rnz n ARG 71 N -3.86 1.07 -3.56 3.56 1.74 -1.23 -4.90 116.66 109.48 2rnz n ARG 71 Ca 0.05 -0.07 -0.39 0.00 -0.77 0.00 0.00 57.85 56.67 2rnz n ARG 71 Cb 0.46 -1.40 -0.11 0.00 -1.02 0.00 0.00 32.46 30.40 2rnz n ARG 71 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2rnz s ILE 72 N -2.70 5.25 0.46 0.55 1.01 -0.55 -4.61 121.20 120.62 2rnz s ILE 72 Ca -0.07 -0.09 -0.23 0.00 0.00 0.00 0.00 60.65 60.26 2rnz s ILE 72 Cb 0.07 -3.63 -0.07 0.00 0.01 0.00 0.00 42.46 38.84 2rnz s ILE 72 CO 0.66 0.09 1.21 0.21 0.00 0.00 0.00 174.94 177.11 2rnz s ASN 73 N 1.73 6.10 -0.12 3.58 2.47 -1.26 -4.65 114.94 122.78 2rnz s ASN 73 Ca 0.06 2.41 -0.13 0.00 0.42 0.00 0.00 52.86 55.62 2rnz s ASN 73 Cb -0.17 -2.61 -0.04 0.00 -1.45 0.00 0.00 41.25 36.98 2rnz s ASN 73 CO 0.10 -0.97 -0.25 -0.11 -3.72 0.00 0.00 177.10 172.15 2rnz n LEU 74 N -0.43 1.49 0.00 3.21 -0.00 -1.26 -4.95 117.00 115.05 2rnz n LEU 74 Ca 0.07 0.25 0.00 0.00 -0.00 0.00 0.00 56.01 56.33 2rnz n LEU 74 Cb 0.47 -0.65 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 2rnz n LEU 74 CO 0.50 -0.35 0.00 -0.67 -0.00 0.00 0.00 177.39 176.86 2rnz n ASP 75 N -3.99 0.00 -3.00 1.96 2.03 -1.26 -5.02 116.55 107.27 2rnz n ASP 75 Ca -0.10 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.06 2rnz n ASP 75 Cb 0.38 -0.03 -0.04 0.00 -0.72 0.00 0.00 41.12 40.71 2rnz n ASP 75 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2rnz n LYS 76 N -1.89 0.89 -1.99 -0.67 3.00 -1.26 -5.13 118.16 111.11 2rnz n LYS 76 Ca 0.00 -1.97 -0.37 0.00 -0.00 0.00 0.00 58.31 55.96 2rnz n LYS 76 Cb 0.00 0.92 0.02 0.00 0.00 0.00 0.00 35.03 35.98 2rnz n LYS 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2rnz s GLU 77 N -2.91 3.30 0.31 1.64 -1.05 -1.26 -5.02 118.70 113.71 2rnz s GLU 77 Ca 0.09 2.00 0.09 0.00 -0.15 0.00 0.00 54.97 56.99 2rnz s GLU 77 Cb 0.00 -2.23 -0.05 0.00 -0.44 0.00 0.00 34.13 31.41 2rnz s GLU 77 CO 0.06 -0.99 0.02 0.14 0.95 0.00 0.00 175.26 175.44 2rnz s VAL 78 N -1.44 2.95 -0.66 1.83 -7.23 -1.26 -5.10 120.40 109.49 2rnz s VAL 78 Ca 0.70 -1.92 -0.04 0.00 -1.81 0.00 0.00 61.98 58.91 2rnz s VAL 78 Cb -0.34 -2.82 0.17 0.00 0.56 0.00 0.00 36.38 33.95 2rnz s VAL 78 CO 0.40 -0.26 0.50 -0.76 -0.31 0.00 0.00 175.10 174.67 2rnz s LEU 79 N -3.72 5.47 -0.54 1.32 1.43 -1.26 -4.99 118.68 116.39 2rnz s LEU 79 Ca 0.34 -2.87 0.04 0.00 -1.03 0.00 0.00 54.13 50.61 2rnz s LEU 79 Cb -0.03 -1.91 0.15 0.00 0.03 0.00 0.00 46.19 44.43 2rnz s LEU 79 CO 0.20 -0.39 0.33 -0.31 0.23 0.00 0.00 176.35 176.41 2rnz s TYR 80 N -0.08 2.67 -0.56 0.29 2.02 -1.26 -5.07 117.35 115.36 2rnz s TYR 80 Ca 0.17 -2.88 -0.27 0.00 -0.37 0.00 0.00 57.07 53.72 2rnz s TYR 80 Cb -0.19 -2.27 -0.02 0.00 -0.40 0.00 0.00 41.96 39.09 2rnz s TYR 80 CO -0.04 -0.71 1.83 -1.25 -1.57 0.00 0.00 175.55 173.81 2rnz s PRO 81 N -0.39 2.78 0.17 -1.71 0.04 -1.26 -4.94 135.00 129.69 2rnz s PRO 81 Ca 0.21 0.75 -0.09 0.00 0.04 0.00 0.00 61.00 61.92 2rnz s PRO 81 Cb -0.16 -4.34 -0.01 0.00 0.04 0.00 0.00 34.50 30.03 2rnz s PRO 81 CO -0.07 -2.54 0.28 0.21 0.04 0.00 0.00 177.00 174.92 2rnz s LYS 82 N 6.72 1.17 0.23 4.56 2.20 -1.26 -5.17 119.74 128.18 2rnz s LYS 82 Ca 0.69 -1.20 0.06 0.00 -0.36 0.00 0.00 55.97 55.16 2rnz s LYS 82 Cb -0.14 0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 36.52 2rnz s LYS 82 CO 0.23 -0.43 0.20 -0.51 -0.36 0.00 0.00 175.35 174.48 2rnz s LEU 83 N -2.98 3.87 -0.30 5.43 2.01 -1.26 -5.12 118.68 120.33 2rnz s LEU 83 Ca 0.18 -0.18 -0.12 0.00 0.01 0.00 0.00 54.13 54.02 2rnz s LEU 83 Cb 0.03 -2.42 0.15 0.00 0.01 0.00 0.00 46.19 43.96 2rnz s LEU 83 CO 0.01 -0.01 0.82 -0.75 1.01 0.00 0.00 176.35 177.43 2rnz s LYS 84 N -3.66 0.43 0.39 1.70 2.47 -1.26 -5.16 119.74 114.66 2rnz s LYS 84 Ca 0.33 1.06 -0.23 0.00 -1.56 0.00 0.00 55.97 55.57 2rnz s LYS 84 Cb -0.09 0.64 -0.11 0.00 -1.46 0.00 0.00 37.83 36.82 2rnz s LYS 84 CO 0.25 -0.17 0.94 0.00 0.16 0.00 0.00 175.35 176.53 2rnz s ALA 85 N 2.69 3.10 -1.19 3.13 0.00 -1.26 -4.94 121.76 123.29 2rnz s ALA 85 Ca -0.03 0.43 -0.20 0.00 0.00 0.00 0.00 51.96 52.17 2rnz s ALA 85 Cb -0.09 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 2rnz s ALA 85 CO -0.18 0.15 1.91 0.25 0.00 0.00 0.00 175.76 177.88 2rnz n THR 86 N -0.23 2.78 -2.99 0.00 -2.24 -1.26 -4.94 114.28 105.41 2rnz n THR 86 Ca 0.05 -2.77 -0.23 0.00 -2.27 0.00 0.00 64.05 58.83 2rnz n THR 86 Cb 0.53 -2.31 0.01 0.00 -2.10 0.00 0.00 70.33 66.45 2rnz n THR 86 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2rnz s ASP 87 N 5.04 5.88 0.04 3.42 2.15 -1.26 -5.12 116.67 126.82 2rnz s ASP 87 Ca 0.59 0.34 -0.28 0.00 0.43 0.00 0.00 52.55 53.63 2rnz s ASP 87 Cb 0.05 -1.61 0.07 0.00 -0.30 0.00 0.00 42.92 41.14 2rnz s ASP 87 CO 0.08 -0.67 0.67 -1.83 -0.17 0.00 0.00 175.17 173.25 2rnz s GLU 88 N -4.56 1.12 0.00 4.34 4.04 -1.26 -5.29 118.70 117.09 2rnz s GLU 88 Ca 0.48 -0.08 0.00 0.00 0.04 0.00 0.00 54.97 55.41 2rnz s GLU 88 Cb -0.10 0.52 0.00 0.00 0.02 0.00 0.00 34.13 34.57 2rnz s GLU 88 CO 0.38 -0.42 0.15 -0.40 -1.84 0.00 0.00 175.26 173.13