#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 3.98 3.09 -5.12 0.00 -1.26 -5.16 105.19 100.72 2rnz n GLY -3 Ca 0.00 -2.10 -0.07 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.51 0.42 0.66 1.61 0.15 -1.26 -5.17 113.70 109.60 2rnz s SER -2 Ca 0.00 -0.90 0.01 0.00 0.70 0.00 0.00 55.95 55.75 2rnz s SER -2 Cb 0.00 0.21 0.11 0.00 -1.71 0.00 0.00 66.02 64.63 2rnz s SER -2 CO 0.00 -0.58 0.80 -0.24 1.20 0.00 0.00 173.24 174.42 2rnz n SER -1 N 0.25 1.15 -3.65 5.45 2.88 -1.26 -5.13 113.62 113.31 2rnz n SER -1 Ca -0.15 -1.96 -0.03 0.00 -1.33 0.00 0.00 58.87 55.40 2rnz n SER -1 Cb 0.61 -0.51 -0.01 0.00 -0.75 0.00 0.00 64.21 63.54 2rnz n SER -1 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2rnz s HIS 0 N -2.42 -0.16 -0.06 0.66 2.46 -1.26 -5.17 115.29 109.34 2rnz s HIS 0 Ca 0.54 -0.04 0.05 0.00 0.47 0.00 0.00 55.06 56.08 2rnz s HIS 0 Cb -0.03 0.58 -0.01 0.00 -0.13 0.00 0.00 32.58 32.99 2rnz s HIS 0 CO 0.35 -0.57 -0.23 -3.38 -2.47 0.00 0.00 174.74 168.44 2rnz s HIS 1 N -2.96 2.49 0.14 3.88 -3.43 -1.26 -5.13 115.29 109.03 2rnz s HIS 1 Ca 0.11 -0.66 -0.15 0.00 -0.80 0.00 0.00 55.06 53.56 2rnz s HIS 1 Cb 0.00 -1.62 0.03 0.00 -1.43 0.00 0.00 32.58 29.56 2rnz s HIS 1 CO -0.02 -0.18 0.40 -1.58 -2.00 0.00 0.00 174.74 171.36 2rnz s HIS 2 N -0.19 -0.11 -1.51 0.38 5.04 -1.26 -4.92 115.29 112.72 2rnz s HIS 2 Ca -0.02 -0.22 -0.13 0.00 -1.54 0.00 0.00 55.06 53.14 2rnz s HIS 2 Cb -0.14 0.23 0.08 0.00 0.04 0.00 0.00 32.58 32.79 2rnz s HIS 2 CO 0.03 -0.73 0.98 0.72 -2.34 0.00 0.00 174.74 173.41 2rnz n HIS 3 N -0.23 -2.35 -3.12 3.88 8.25 -1.26 -4.93 115.22 115.46 2rnz n HIS 3 Ca -0.14 0.89 -0.41 0.00 -0.26 0.00 0.00 57.72 57.80 2rnz n HIS 3 Cb 0.63 -4.07 -0.07 0.00 1.12 0.00 0.00 29.99 27.61 2rnz n HIS 3 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2rnz s HIS 4 N -3.28 3.20 -0.20 4.41 2.46 -1.26 -5.02 115.29 115.59 2rnz s HIS 4 Ca 0.65 0.52 -0.06 0.00 0.47 0.00 0.00 55.06 56.63 2rnz s HIS 4 Cb -0.32 -3.01 0.10 0.00 -0.13 0.00 0.00 32.58 29.22 2rnz s HIS 4 CO 0.80 -0.50 0.40 -1.58 -2.47 0.00 0.00 174.74 171.38 2rnz s HIS 5 N 2.61 -0.78 0.22 3.88 2.46 -1.26 -5.15 115.29 117.27 2rnz s HIS 5 Ca 0.25 1.36 -0.19 0.00 0.47 0.00 0.00 55.06 56.94 2rnz s HIS 5 Cb -0.15 0.23 0.07 0.00 -0.13 0.00 0.00 32.58 32.60 2rnz s HIS 5 CO 0.12 -0.52 0.93 0.45 -2.47 0.00 0.00 174.74 173.25 2rnz n SER 6 N 5.38 -1.78 -3.06 9.88 2.88 -1.26 -5.18 113.62 120.48 2rnz n SER 6 Ca -0.07 -2.02 -0.16 0.00 -1.33 0.00 0.00 58.87 55.29 2rnz n SER 6 Cb 0.50 2.92 0.13 0.00 -0.75 0.00 0.00 64.21 67.01 2rnz n SER 6 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2rnz n SER 7 N -1.32 -1.63 -4.00 -3.46 2.88 -1.26 -4.86 113.62 99.97 2rnz n SER 7 Ca -0.04 -0.84 -0.42 0.00 -1.33 0.00 0.00 58.87 56.24 2rnz n SER 7 Cb 0.56 -0.53 -0.00 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.41 3.78 3.46 0.46 0.00 -1.26 -4.92 105.19 105.31 2rnz n GLY 8 Ca 0.08 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.31 2rnz n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rnz s LEU 9 N 2.89 2.55 0.74 0.99 2.96 -1.26 -5.02 118.68 122.52 2rnz s LEU 9 Ca 0.50 -0.96 -0.14 0.00 -0.22 0.00 0.00 54.13 53.30 2rnz s LEU 9 Cb 0.11 -1.14 0.04 0.00 0.50 0.00 0.00 46.19 45.70 2rnz s LEU 9 CO -0.03 0.07 1.18 0.68 -1.32 0.00 0.00 176.35 176.93 2rnz s VAL 10 N -2.20 2.49 0.25 1.68 -7.23 -1.26 -4.87 120.40 109.25 2rnz s VAL 10 Ca 0.27 0.23 -0.04 0.00 -1.81 0.00 0.00 61.98 60.62 2rnz s VAL 10 Cb -0.06 -2.73 0.06 0.00 0.56 0.00 0.00 36.38 34.21 2rnz s VAL 10 CO 0.13 -0.14 0.22 -0.81 -0.31 0.00 0.00 175.10 174.19 2rnz n PRO 11 N -2.84 -1.46 -0.28 4.82 -0.04 -1.26 -5.02 135.00 128.92 2rnz n PRO 11 Ca 0.13 -0.35 -0.29 0.00 -0.04 0.00 0.00 63.50 62.94 2rnz n PRO 11 Cb 0.51 -0.33 0.28 0.00 -0.04 0.00 0.00 33.50 33.91 2rnz n PRO 11 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rnz n ARG 12 N -2.19 -4.45 -0.09 0.54 5.12 -1.26 -5.01 116.66 109.33 2rnz n ARG 12 Ca 0.03 -1.32 -0.11 0.00 -1.93 0.00 0.00 57.85 54.52 2rnz n ARG 12 Cb 0.12 -1.89 -0.05 0.00 -1.16 0.00 0.00 32.46 29.48 2rnz n ARG 12 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2rnz n GLY 13 N 1.90 -0.84 3.54 -0.13 0.00 -1.26 -4.82 105.19 103.58 2rnz n GLY 13 Ca 0.12 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.53 1.94 -0.93 1.61 7.64 -1.26 -4.74 113.62 113.34 2rnz n SER 14 Ca -0.17 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.42 2rnz n SER 14 Cb 0.43 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 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 14.35 -0.03 -3.01 1.43 -0.00 -1.26 -4.60 115.22 122.11 2rnz n HIS 15 Ca 0.43 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 58.02 2rnz n HIS 15 Cb 0.42 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.46 2rnz n HIS 15 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2rnz n MET 16 N 0.00 0.71 -4.25 1.57 2.81 -1.26 -4.96 117.12 111.74 2rnz n MET 16 Ca 0.00 -2.07 -0.34 0.00 -1.81 0.00 0.00 57.70 53.48 2rnz n MET 16 Cb 0.00 -0.17 -0.11 0.00 -0.71 0.00 0.00 33.22 32.23 2rnz n MET 16 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2rnz s SER 17 N -3.41 5.08 0.14 7.83 1.04 -1.26 -4.99 113.70 118.14 2rnz s SER 17 Ca 0.41 -0.06 0.16 0.00 0.48 0.00 0.00 55.95 56.94 2rnz s SER 17 Cb -0.03 -1.85 -0.06 0.00 0.10 0.00 0.00 66.02 64.18 2rnz s SER 17 CO 0.26 0.17 1.05 0.58 0.98 0.00 0.00 173.24 176.28 2rnz h VAL 18 N 5.07 0.60 0.00 5.02 2.07 -1.99 -3.28 116.25 123.73 2rnz h VAL 18 Ca -0.33 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.17 2rnz h VAL 18 Cb 1.18 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2rnz h VAL 18 CO 0.65 0.34 0.00 -0.67 0.02 0.00 0.00 177.57 177.91 2rnz n ASP 19 N -2.99 0.00 -1.97 0.57 2.03 -1.26 -2.21 116.55 110.71 2rnz n ASP 19 Ca -0.05 0.46 -0.05 0.00 0.52 0.00 0.00 54.79 55.67 2rnz n ASP 19 Cb 0.79 -0.48 0.30 0.00 -0.72 0.00 0.00 41.12 41.01 2rnz n ASP 19 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2rnz n ASP 20 N -1.48 4.80 -4.88 1.67 9.92 -1.24 -4.94 116.55 120.40 2rnz n ASP 20 Ca 0.04 -3.15 -0.36 0.00 -0.53 0.00 0.00 54.79 50.79 2rnz n ASP 20 Cb 0.17 -0.74 -0.06 0.00 -0.64 0.00 0.00 41.12 39.85 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 -2.87 5.43 0.32 0.53 1.01 -0.94 -5.09 121.20 119.60 2rnz s ILE 21 Ca 0.53 0.14 -0.02 0.00 0.00 0.00 0.00 60.65 61.31 2rnz s ILE 21 Cb 0.42 -3.48 0.07 0.00 0.01 0.00 0.00 42.46 39.48 2rnz s ILE 21 CO 0.13 0.50 0.44 2.30 0.00 0.00 0.00 174.94 178.31 2rnz n ILE 22 N 1.55 0.00 -4.01 2.92 -5.35 -1.26 -5.11 119.36 108.11 2rnz n ILE 22 Ca -0.16 -0.60 -0.26 0.00 -0.27 0.00 0.00 62.75 61.46 2rnz n ILE 22 Cb 0.54 -1.31 -0.04 0.00 -1.74 0.00 0.00 39.64 37.09 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 -1.37 4.96 -1.85 7.28 -1.09 -1.26 -4.41 121.20 123.47 2rnz s ILE 23 Ca 0.28 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 2rnz s ILE 23 Cb -0.01 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 2rnz s ILE 23 CO 0.19 -0.12 0.00 0.29 -1.23 0.00 0.00 174.94 174.07 2rnz n LYS 24 N -0.52 -1.66 -3.56 2.79 5.02 0.87 -4.97 118.16 116.13 2rnz n LYS 24 Ca -0.08 1.04 -0.33 0.00 -2.02 0.00 0.00 58.31 56.93 2rnz n LYS 24 Cb 0.54 -5.68 -0.05 0.00 -0.02 0.00 0.00 35.03 29.82 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 -2.41 4.15 -0.01 0.00 0.74 -1.26 -1.01 119.66 119.86 2rnz s GLN 26 Ca 0.40 0.46 0.06 0.00 0.05 0.00 0.00 55.36 56.32 2rnz s GLN 26 Cb -0.13 -3.60 -0.01 0.00 1.10 0.00 0.00 33.01 30.37 2rnz s GLN 26 CO 0.21 -0.26 -0.19 0.00 -0.55 0.00 0.00 175.29 174.50 2rnz s TRP 28 N -0.43 3.64 -0.38 0.00 0.52 -1.26 -1.21 118.94 119.81 2rnz s TRP 28 Ca 0.07 1.14 -0.14 0.00 0.02 0.00 0.00 56.10 57.19 2rnz s TRP 28 Cb -0.07 -2.61 0.01 0.00 -1.15 0.00 0.00 33.47 29.64 2rnz s TRP 28 CO -0.01 0.29 0.28 0.08 0.02 0.00 0.00 176.95 177.61 2rnz s VAL 29 N 0.06 5.27 -0.74 4.03 1.01 0.85 -4.32 120.40 126.56 2rnz s VAL 29 Ca 0.31 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 2rnz s VAL 29 Cb -0.17 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.39 2rnz s VAL 29 CO 0.16 -0.20 1.27 -1.10 0.00 0.00 0.00 175.10 175.23 2rnz s GLN 30 N 1.69 3.19 0.75 2.72 -0.21 -1.26 -1.24 119.66 125.31 2rnz s GLN 30 Ca 0.05 -0.27 -0.12 0.00 0.02 0.00 0.00 55.36 55.05 2rnz s GLN 30 Cb -0.18 -4.19 0.04 0.00 1.00 0.00 0.00 33.01 29.68 2rnz s GLN 30 CO 0.10 -2.14 1.11 0.21 -2.12 0.00 0.00 175.29 172.45 2rnz s LYS 31 N 5.67 2.46 0.06 2.91 2.47 -0.59 -4.99 119.74 127.73 2rnz s LYS 31 Ca 0.35 0.49 -0.21 0.00 -1.56 0.00 0.00 55.97 55.03 2rnz s LYS 31 Cb -0.08 -1.97 -0.09 0.00 -1.46 0.00 0.00 37.83 34.22 2rnz s LYS 31 CO 0.15 -1.32 1.34 -0.91 0.16 0.00 0.00 175.35 174.76 2rnz h ASN 32 N -0.87 -0.98 0.00 1.43 2.35 -1.99 -3.29 115.58 112.23 2rnz h ASN 32 Ca -0.46 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2rnz h ASN 32 Cb 1.27 0.36 0.00 0.00 0.05 0.00 0.00 38.32 40.00 2rnz h ASN 32 CO 0.62 -0.34 -0.03 -0.67 -1.65 0.00 0.00 177.43 175.36 2rnz n ASP 33 N -4.30 2.12 -3.08 5.81 2.03 -1.26 -5.05 116.55 112.82 2rnz n ASP 33 Ca -0.05 -2.79 -0.18 0.00 0.52 0.00 0.00 54.79 52.29 2rnz n ASP 33 Cb 0.25 -0.33 -0.07 0.00 -0.72 0.00 0.00 41.12 40.25 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 -1.16 0.39 -3.66 -0.67 -0.58 -1.24 -5.16 120.64 108.56 2rnz n GLU 34 Ca 0.12 -3.10 -0.21 0.00 -0.42 0.00 0.00 57.16 53.55 2rnz n GLU 34 Cb 0.57 2.56 -0.18 0.00 -0.57 0.00 0.00 31.44 33.82 2rnz n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2rnz s GLU 35 N -3.25 -0.06 0.46 3.49 0.41 -1.26 -1.54 118.70 116.94 2rnz s GLU 35 Ca 0.37 0.31 0.05 0.00 -0.41 0.00 0.00 54.97 55.29 2rnz s GLU 35 Cb 0.02 -0.71 -0.04 0.00 -1.78 0.00 0.00 34.13 31.61 2rnz s GLU 35 CO 0.26 -0.38 0.05 1.03 -0.49 0.00 0.00 175.26 175.73 2rnz s ARG 36 N 2.17 2.10 -0.02 1.61 1.81 -0.37 -4.96 118.95 121.29 2rnz s ARG 36 Ca 0.05 -2.19 -0.00 0.00 -1.72 0.00 0.00 55.73 51.86 2rnz s ARG 36 Cb -0.13 -1.66 0.02 0.00 -0.45 0.00 0.00 34.95 32.74 2rnz s ARG 36 CO -0.04 -0.21 0.03 -1.17 -0.68 0.00 0.00 175.30 173.23 2rnz s LEU 37 N -3.83 1.26 0.04 2.53 0.20 -1.26 -0.11 118.68 117.52 2rnz s LEU 37 Ca 0.24 0.04 -0.01 0.00 0.69 0.00 0.00 54.13 55.09 2rnz s LEU 37 Cb 0.05 -0.04 -0.03 0.00 -0.43 0.00 0.00 46.19 45.74 2rnz s LEU 37 CO 0.13 -0.10 -0.03 0.00 -0.29 0.00 0.00 176.35 176.05 2rnz s ALA 38 N 0.85 0.38 0.32 5.97 0.00 -0.35 -4.70 121.76 124.23 2rnz s ALA 38 Ca -0.07 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 50.97 2rnz s ALA 38 Cb -0.10 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 2rnz s ALA 38 CO -0.02 -0.29 0.24 -2.00 0.00 0.00 0.00 175.76 173.68 2rnz s GLU 39 N -3.05 2.70 -0.22 0.00 2.12 -0.42 -0.93 118.70 118.89 2rnz s GLU 39 Ca -0.01 -1.29 -0.10 0.00 0.36 0.00 0.00 54.97 53.93 2rnz s GLU 39 Cb 0.02 -2.44 -0.05 0.00 0.26 0.00 0.00 34.13 31.92 2rnz s GLU 39 CO -0.07 0.16 0.15 0.42 -0.54 0.00 0.00 175.26 175.39 2rnz s ILE 40 N -2.29 5.38 0.00 -3.70 -1.09 -0.18 -0.28 121.20 119.04 2rnz s ILE 40 Ca 0.39 0.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 2rnz s ILE 40 Cb -0.06 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 2rnz s ILE 40 CO 0.25 0.39 0.00 0.18 -1.23 0.00 0.00 174.94 174.54 2rnz n LEU 41 N 3.89 0.00 -4.69 2.97 4.77 -0.48 -0.09 117.00 123.36 2rnz n LEU 41 Ca -0.15 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.54 2rnz n LEU 41 Cb 0.52 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 2rnz n LEU 41 CO 0.36 -0.45 -0.24 -0.44 -1.33 0.00 0.00 177.39 175.29 2rnz s SER 42 N -4.00 4.09 -0.00 -1.43 0.01 -1.26 -4.56 113.70 106.55 2rnz s SER 42 Ca 0.00 -1.38 -0.00 0.00 1.31 0.00 0.00 55.95 55.88 2rnz s SER 42 Cb 0.00 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2rnz s SER 42 CO 0.00 -0.61 0.01 -0.63 0.41 0.00 0.00 173.24 172.42 2rnz s ILE 43 N -2.73 0.00 -0.13 1.44 1.01 -1.26 -0.27 121.20 119.26 2rnz s ILE 43 Ca 0.29 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.93 2rnz s ILE 43 Cb 0.06 -0.03 -0.01 0.00 0.01 0.00 0.00 42.46 42.50 2rnz s ILE 43 CO 0.15 -0.01 -0.16 0.20 0.00 0.00 0.00 174.94 175.12 2rnz s ASN 44 N -0.02 3.71 -0.44 3.58 -0.87 0.77 -4.98 114.94 116.69 2rnz s ASN 44 Ca -0.00 -0.42 0.04 0.00 -1.57 0.00 0.00 52.86 50.91 2rnz s ASN 44 Cb -0.00 -1.55 0.44 0.00 -0.02 0.00 0.00 41.25 40.11 2rnz s ASN 44 CO -0.00 0.14 1.40 0.35 -2.57 0.00 0.00 177.10 176.42 2rnz n THR 45 N 3.67 2.78 0.24 1.60 -2.24 -1.26 -0.20 114.28 118.88 2rnz n THR 45 Ca -0.19 -4.17 0.12 0.00 -2.27 0.00 0.00 64.05 57.55 2rnz n THR 45 Cb 0.52 -1.18 0.22 0.00 -2.10 0.00 0.00 70.33 67.80 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 -0.68 2.54 -4.03 -0.78 0.63 -1.26 -4.97 116.66 108.11 2rnz n ARG 46 Ca 0.47 -2.33 -0.13 0.00 -0.92 0.00 0.00 57.85 54.94 2rnz n ARG 46 Cb 0.78 -1.52 -0.03 0.00 0.45 0.00 0.00 32.46 32.13 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 -1.44 1.92 -0.09 -0.14 -0.14 -1.26 -5.10 119.74 113.49 2rnz s LYS 47 Ca 0.40 -1.63 -0.03 0.00 -1.36 0.00 0.00 55.97 53.34 2rnz s LYS 47 Cb 0.23 0.48 0.04 0.00 -1.68 0.00 0.00 37.83 36.90 2rnz s LYS 47 CO 0.32 -0.82 0.07 0.00 -0.76 0.00 0.00 175.35 174.16 2rnz s ALA 48 N -3.05 0.29 0.96 5.17 0.00 -1.26 -2.86 121.76 121.02 2rnz s ALA 48 Ca 0.27 0.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.13 2rnz s ALA 48 Cb -0.01 -0.77 0.17 0.00 0.00 0.00 0.00 23.12 22.50 2rnz s ALA 48 CO 0.17 -0.73 1.09 -1.25 0.00 0.00 0.00 175.76 175.04 2rnz s PRO 49 N 2.16 0.73 1.20 0.00 0.04 -1.26 -4.31 135.00 133.57 2rnz s PRO 49 Ca 0.04 0.64 -0.19 0.00 0.04 0.00 0.00 61.00 61.52 2rnz s PRO 49 Cb -0.13 -1.76 0.29 0.00 0.04 0.00 0.00 34.50 32.93 2rnz s PRO 49 CO -0.05 -2.56 1.11 -1.25 0.04 0.00 0.00 177.00 174.29 2rnz s PRO 50 N -4.95 -1.24 0.24 0.56 0.04 -1.13 -4.98 135.00 123.53 2rnz s PRO 50 Ca 0.65 -0.08 0.11 0.00 0.04 0.00 0.00 61.00 61.71 2rnz s PRO 50 Cb -0.18 -1.59 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 2rnz s PRO 50 CO 0.57 -3.72 -0.14 0.15 0.04 0.00 0.00 177.00 173.90 2rnz s LYS 51 N -5.41 1.88 -0.00 4.56 3.01 0.72 -4.46 119.74 120.02 2rnz s LYS 51 Ca 0.71 -1.54 0.01 0.00 -1.01 0.00 0.00 55.97 54.14 2rnz s LYS 51 Cb -0.10 -1.96 -0.00 0.00 -1.01 0.00 0.00 37.83 34.76 2rnz s LYS 51 CO 0.56 0.37 -0.05 -0.06 0.51 0.00 0.00 175.35 176.68 2rnz s PHE 52 N -2.15 0.43 -0.11 3.18 0.40 0.11 -0.17 117.98 119.66 2rnz s PHE 52 Ca 0.28 -0.08 -0.26 0.00 -0.60 0.00 0.00 56.93 56.27 2rnz s PHE 52 Cb -0.07 -0.27 -0.02 0.00 0.51 0.00 0.00 43.02 43.17 2rnz s PHE 52 CO 0.15 -0.01 0.83 -0.47 0.70 0.00 0.00 175.22 176.42 2rnz s TYR 53 N -0.12 3.50 0.02 0.36 6.14 0.63 -0.91 117.35 126.97 2rnz s TYR 53 Ca 0.02 1.34 -0.07 0.00 0.64 0.00 0.00 57.07 59.00 2rnz s TYR 53 Cb -0.02 -2.98 -0.05 0.00 0.42 0.00 0.00 41.96 39.33 2rnz s TYR 53 CO -0.00 -0.12 0.29 0.14 0.64 0.00 0.00 175.55 176.50 2rnz s VAL 54 N 1.61 5.27 -0.08 3.14 -7.23 -0.17 -1.39 120.40 121.55 2rnz s VAL 54 Ca 0.41 0.20 0.03 0.00 -1.81 0.00 0.00 61.98 60.81 2rnz s VAL 54 Cb -0.18 -3.58 0.01 0.00 0.56 0.00 0.00 36.38 33.19 2rnz s VAL 54 CO 0.17 0.35 -0.18 -2.28 -0.31 0.00 0.00 175.10 172.84 2rnz s HIS 55 N -1.32 1.99 -0.16 2.82 2.46 0.61 -3.71 115.29 117.98 2rnz s HIS 55 Ca 0.29 -0.78 -0.08 0.00 0.47 0.00 0.00 55.06 54.96 2rnz s HIS 55 Cb -0.13 -1.37 -0.04 0.00 -0.13 0.00 0.00 32.58 30.90 2rnz s HIS 55 CO 0.17 -0.34 0.13 -0.47 -2.47 0.00 0.00 174.74 171.76 2rnz s TYR 56 N 0.49 3.50 0.59 3.88 5.04 -1.26 -1.30 117.35 128.29 2rnz s TYR 56 Ca -0.16 0.43 0.29 0.00 -2.44 0.00 0.00 57.07 55.18 2rnz s TYR 56 Cb -0.17 -2.05 1.64 0.00 0.35 0.00 0.00 41.96 41.73 2rnz s TYR 56 CO 0.06 0.52 2.07 -0.39 -1.34 0.00 0.00 175.55 176.47 2rnz h VAL 57 N 4.32 0.44 -0.99 3.14 -1.51 -2.01 -3.39 116.25 116.26 2rnz h VAL 57 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2rnz h VAL 57 Cb 1.19 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 2rnz h VAL 57 CO 0.67 0.00 0.00 -3.20 -1.23 0.00 0.00 177.57 173.81 2rnz n ASN 58 N -3.77 -1.79 -0.11 4.19 5.15 -1.26 -4.78 115.26 112.90 2rnz n ASN 58 Ca 0.02 -0.05 0.26 0.00 -0.60 0.00 0.00 54.58 54.22 2rnz n ASN 58 Cb 0.37 0.00 0.72 0.00 -0.53 0.00 0.00 39.78 40.34 2rnz n ASN 58 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2rnz h TYR 59 N -1.89 0.00 -2.19 1.20 0.05 -2.05 -3.45 116.97 108.65 2rnz h TYR 59 Ca 0.00 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.44 2rnz h TYR 59 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 2rnz h TYR 59 CO 0.00 0.00 -0.42 -1.71 -1.05 0.00 0.00 178.16 174.98 2rnz n ASN 60 N -4.21 -5.06 0.00 3.88 4.05 -1.26 -4.94 115.26 107.73 2rnz n ASN 60 Ca 0.15 0.06 0.00 0.00 0.45 0.00 0.00 54.58 55.24 2rnz n ASN 60 Cb 0.86 -4.14 0.00 0.00 1.23 0.00 0.00 39.78 37.73 2rnz n ASN 60 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 2rnz n LYS 61 N -2.63 0.00 -0.03 1.20 4.81 -1.26 -3.92 118.16 116.34 2rnz n LYS 61 Ca -0.20 0.46 0.03 0.00 -0.87 0.00 0.00 58.31 57.73 2rnz n LYS 61 Cb 0.64 -1.37 -0.12 0.00 0.02 0.00 0.00 35.03 34.20 2rnz n LYS 61 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2rnz n ARG 62 N -1.87 0.84 0.21 1.64 1.85 -1.26 -4.43 116.66 113.65 2rnz n ARG 62 Ca 0.00 -0.10 0.13 0.00 -1.00 0.00 0.00 57.85 56.88 2rnz n ARG 62 Cb 0.00 -1.36 0.72 0.00 -1.05 0.00 0.00 32.46 30.77 2rnz n ARG 62 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2rnz h LEU 63 N 0.00 0.00 -8.52 2.89 7.12 -1.97 -3.40 115.31 111.43 2rnz h LEU 63 Ca -0.12 0.00 -0.40 0.00 0.13 0.00 0.00 57.88 57.49 2rnz h LEU 63 Cb 1.06 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.18 2rnz h LEU 63 CO 0.01 0.00 1.44 -0.67 -0.13 0.00 0.00 178.44 179.09 2rnz n ASP 64 N -4.30 2.05 -3.27 1.25 2.03 -1.25 -4.87 116.55 108.19 2rnz n ASP 64 Ca -0.00 -0.59 -0.20 0.00 0.52 0.00 0.00 54.79 54.52 2rnz n ASP 64 Cb 0.21 -1.54 -0.08 0.00 -0.72 0.00 0.00 41.12 38.99 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 8.90 0.43 -5.11 -0.67 0.28 -1.24 -5.05 120.64 118.17 2rnz n GLU 65 Ca 0.41 -3.39 -0.29 0.00 -0.16 0.00 0.00 57.16 53.73 2rnz n GLU 65 Cb 0.49 2.80 -0.16 0.00 1.43 0.00 0.00 31.44 36.00 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 -3.37 2.08 0.38 -1.84 1.48 -1.26 -1.00 118.94 115.40 2rnz s TRP 66 Ca 0.40 -0.49 0.05 0.00 -1.06 0.00 0.00 56.10 55.00 2rnz s TRP 66 Cb 0.02 -1.35 -0.02 0.00 -1.16 0.00 0.00 33.47 30.96 2rnz s TRP 66 CO 0.29 -0.11 0.17 0.44 -4.06 0.00 0.00 176.95 173.68 2rnz n ILE 67 N 2.75 0.00 -3.12 0.66 -5.35 -0.09 -4.92 119.36 109.29 2rnz n ILE 67 Ca -0.16 -2.31 -0.11 0.00 -0.27 0.00 0.00 62.75 59.90 2rnz n ILE 67 Cb 0.52 0.89 0.03 0.00 -1.74 0.00 0.00 39.64 39.35 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 -0.83 0.00 0.36 7.28 -2.24 -1.26 -0.72 114.28 116.87 2rnz n THR 68 Ca -0.03 -1.04 0.13 0.00 -2.27 0.00 0.00 64.05 60.85 2rnz n THR 68 Cb 0.59 -0.67 0.39 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.13 0.00 -0.77 4.28 1.03 -1.81 -3.15 112.91 112.61 2rnz h THR 69 Ca -0.15 -0.65 0.22 0.00 -0.01 0.00 0.00 66.41 65.82 2rnz h THR 69 Cb 0.66 1.62 -0.03 0.00 -1.07 0.00 0.00 68.15 69.32 2rnz h THR 69 CO 0.22 0.00 0.57 -0.78 -0.01 0.00 0.00 175.52 175.51 2rnz h ASP 70 N 0.00 0.00 0.00 0.00 1.82 -1.95 -1.14 116.42 115.15 2rnz h ASP 70 Ca 0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.53 2rnz h ASP 70 Cb 0.74 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.72 2rnz h ASP 70 CO 0.00 0.00 -1.83 0.54 -1.61 0.00 0.00 179.24 176.34 2rnz n ARG 71 N -4.27 0.99 -3.55 0.28 1.74 -1.21 -4.91 116.66 105.74 2rnz n ARG 71 Ca 0.16 -0.08 -0.40 0.00 -0.77 0.00 0.00 57.85 56.76 2rnz n ARG 71 Cb 0.85 -1.37 -0.11 0.00 -1.02 0.00 0.00 32.46 30.82 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 -2.75 5.29 -0.09 0.55 1.01 -0.43 -4.16 121.20 120.62 2rnz s ILE 72 Ca -0.06 -0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 2rnz s ILE 72 Cb 0.07 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2rnz s ILE 72 CO 0.62 0.08 0.11 0.21 0.00 0.00 0.00 174.94 175.96 2rnz s ASN 73 N 1.74 6.08 1.44 3.58 2.47 -1.26 -4.59 114.94 124.40 2rnz s ASN 73 Ca 0.07 0.35 -0.23 0.00 0.42 0.00 0.00 52.86 53.47 2rnz s ASN 73 Cb -0.17 -1.90 0.37 0.00 -1.45 0.00 0.00 41.25 38.11 2rnz s ASN 73 CO 0.11 0.37 0.92 -0.76 -3.72 0.00 0.00 177.10 174.01 2rnz s LEU 74 N -1.20 -1.25 -0.35 3.21 2.01 -1.26 -4.70 118.68 115.14 2rnz s LEU 74 Ca 0.17 0.86 0.07 0.00 0.01 0.00 0.00 54.13 55.24 2rnz s LEU 74 Cb -0.12 -2.26 0.54 0.00 0.01 0.00 0.00 46.19 44.35 2rnz s LEU 74 CO 0.07 -5.47 1.58 -0.67 1.01 0.00 0.00 176.35 172.86 2rnz n ASP 75 N -5.71 3.14 -4.55 2.29 -0.08 -1.26 -4.99 116.55 105.39 2rnz n ASP 75 Ca 0.13 -3.76 -0.26 0.00 -1.51 0.00 0.00 54.79 49.39 2rnz n ASP 75 Cb 0.60 -0.68 -0.11 0.00 2.34 0.00 0.00 41.12 43.27 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 -3.32 1.83 0.29 -0.67 3.01 -1.26 -5.12 119.74 114.50 2rnz s LYS 76 Ca 0.49 -2.01 -0.29 0.00 -1.01 0.00 0.00 55.97 53.14 2rnz s LYS 76 Cb 0.43 -1.42 -0.10 0.00 -1.01 0.00 0.00 37.83 35.74 2rnz s LYS 76 CO 0.02 -0.05 1.22 -1.83 0.51 0.00 0.00 175.35 175.22 2rnz s GLU 77 N -3.74 4.47 0.31 1.68 -1.05 -1.26 -5.02 118.70 114.09 2rnz s GLU 77 Ca 0.35 2.03 0.09 0.00 -0.15 0.00 0.00 54.97 57.29 2rnz s GLU 77 Cb 0.08 -3.13 -0.05 0.00 -0.44 0.00 0.00 34.13 30.59 2rnz s GLU 77 CO 0.17 -0.04 0.02 0.14 0.95 0.00 0.00 175.26 176.50 2rnz s VAL 78 N -0.99 2.97 -0.59 1.83 -7.23 -1.26 -4.84 120.40 110.29 2rnz s VAL 78 Ca 0.48 -1.93 -0.03 0.00 -1.81 0.00 0.00 61.98 58.69 2rnz s VAL 78 Cb -0.36 -2.81 0.15 0.00 0.56 0.00 0.00 36.38 33.92 2rnz s VAL 78 CO 0.46 -0.27 0.41 -0.76 -0.31 0.00 0.00 175.10 174.63 2rnz s LEU 79 N -3.71 5.31 -0.75 1.32 1.43 -1.26 -5.01 118.68 116.01 2rnz s LEU 79 Ca 0.34 -2.67 -0.03 0.00 -1.03 0.00 0.00 54.13 50.74 2rnz s LEU 79 Cb -0.03 -1.87 0.19 0.00 0.03 0.00 0.00 46.19 44.51 2rnz s LEU 79 CO 0.20 -0.42 0.60 -0.31 0.23 0.00 0.00 176.35 176.65 2rnz s TYR 80 N 0.20 3.62 -0.71 0.29 1.51 -1.26 -4.81 117.35 116.19 2rnz s TYR 80 Ca 0.15 -2.84 -0.26 0.00 -1.01 0.00 0.00 57.07 53.11 2rnz s TYR 80 Cb -0.21 -3.23 -0.03 0.00 -0.11 0.00 0.00 41.96 38.39 2rnz s TYR 80 CO -0.04 -0.79 1.89 -1.25 -1.11 0.00 0.00 175.55 174.25 2rnz s PRO 81 N -0.64 2.60 -0.05 -1.71 0.04 -1.26 -4.94 135.00 129.04 2rnz s PRO 81 Ca 0.22 0.31 0.01 0.00 0.04 0.00 0.00 61.00 61.57 2rnz s PRO 81 Cb -0.14 -4.61 0.02 0.00 0.04 0.00 0.00 34.50 29.81 2rnz s PRO 81 CO -0.08 -2.95 -0.04 0.21 0.04 0.00 0.00 177.00 174.18 2rnz s LYS 82 N 7.03 0.84 0.51 4.56 2.47 -1.26 -5.15 119.74 128.74 2rnz s LYS 82 Ca 0.68 -0.10 0.08 0.00 -1.56 0.00 0.00 55.97 55.07 2rnz s LYS 82 Cb -0.11 -0.86 0.05 0.00 -1.46 0.00 0.00 37.83 35.45 2rnz s LYS 82 CO 0.13 -0.09 0.70 -0.51 0.16 0.00 0.00 175.35 175.74 2rnz s LEU 83 N 0.97 3.37 0.33 5.43 1.02 -1.26 -5.05 118.68 123.48 2rnz s LEU 83 Ca -0.10 -0.56 -0.29 0.00 0.02 0.00 0.00 54.13 53.20 2rnz s LEU 83 Cb -0.14 -2.22 -0.12 0.00 0.02 0.00 0.00 46.19 43.73 2rnz s LEU 83 CO -0.00 -1.09 1.38 2.29 0.02 0.00 0.00 176.35 178.95 2rnz n LYS 84 N -2.10 2.28 -4.27 1.70 2.85 -1.26 -5.01 118.16 112.36 2rnz n LYS 84 Ca 0.12 0.80 -0.25 0.00 -1.05 0.00 0.00 58.31 57.93 2rnz n LYS 84 Cb 0.60 -2.45 -0.08 0.00 -0.65 0.00 0.00 35.03 32.46 2rnz n LYS 84 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2rnz s ALA 85 N -0.84 3.10 -0.09 0.58 0.00 -1.26 -5.13 121.76 118.12 2rnz s ALA 85 Ca 0.58 -1.52 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 2rnz s ALA 85 Cb -0.55 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 2rnz s ALA 85 CO 0.59 0.39 0.02 0.99 0.00 0.00 0.00 175.76 177.75 2rnz s THR 86 N -1.97 4.48 0.53 0.00 2.01 -1.26 -5.12 115.64 114.32 2rnz s THR 86 Ca 0.28 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.13 2rnz s THR 86 Cb -0.08 -2.90 0.03 0.00 0.01 0.00 0.00 72.50 69.56 2rnz s THR 86 CO 0.18 0.61 0.21 -0.90 -0.69 0.00 0.00 174.62 174.03 2rnz n ASP 87 N 2.14 3.09 -4.51 3.53 5.75 -1.26 -5.11 116.55 120.18 2rnz n ASP 87 Ca -0.19 -3.07 -0.35 0.00 -0.01 0.00 0.00 54.79 51.18 2rnz n ASP 87 Cb 0.54 0.15 0.10 0.00 -1.03 0.00 0.00 41.12 40.88 2rnz n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2rnz n GLU 88 N -1.54 0.11 0.00 0.11 1.02 -1.26 -5.37 120.64 113.71 2rnz n GLU 88 Ca -0.11 0.09 0.12 0.00 -0.02 0.00 0.00 57.16 57.23 2rnz n GLU 88 Cb 0.64 -1.99 0.10 0.00 -0.02 0.00 0.00 31.44 30.16 2rnz n GLU 88 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91