#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rnz s GLY -3 N 0.00 1.82 0.49 3.03 0.00 -1.26 -5.11 107.32 106.29 2rnz s GLY -3 Ca 0.00 -2.02 -0.11 0.00 0.00 0.00 0.00 44.72 42.60 2rnz s GLY -3 CO 0.00 -1.69 0.87 -0.45 0.00 0.00 0.00 173.10 171.83 2rnz s SER -2 N -4.59 6.42 -0.21 1.64 0.15 -1.26 -5.02 113.70 110.83 2rnz s SER -2 Ca 0.58 1.23 -0.29 0.00 0.70 0.00 0.00 55.95 58.17 2rnz s SER -2 Cb -0.06 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2rnz s SER -2 CO 0.37 -0.57 1.13 -0.44 1.20 0.00 0.00 173.24 174.92 2rnz s SER -1 N -3.57 7.03 -0.40 5.45 0.01 -1.26 -4.98 113.70 115.99 2rnz s SER -1 Ca 0.53 1.48 -0.29 0.00 1.31 0.00 0.00 55.95 58.98 2rnz s SER -1 Cb -0.10 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2rnz s SER -1 CO 0.39 -0.72 1.49 -1.00 0.41 0.00 0.00 173.24 173.81 2rnz s HIS 0 N 3.34 2.28 -0.15 2.43 4.02 -1.26 -4.99 115.29 120.95 2rnz s HIS 0 Ca 0.48 0.66 -0.08 0.00 1.02 0.00 0.00 55.06 57.14 2rnz s HIS 0 Cb -0.17 -4.28 -0.04 0.00 -1.02 0.00 0.00 32.58 27.06 2rnz s HIS 0 CO 0.10 -2.18 0.13 -1.58 1.02 0.00 0.00 174.74 172.23 2rnz s HIS 1 N 5.73 3.52 -0.17 1.40 2.46 -1.26 -5.09 115.29 121.88 2rnz s HIS 1 Ca 0.65 0.45 -0.21 0.00 0.47 0.00 0.00 55.06 56.42 2rnz s HIS 1 Cb -0.15 -2.02 0.05 0.00 -0.13 0.00 0.00 32.58 30.34 2rnz s HIS 1 CO 0.33 0.57 0.56 -1.58 -2.47 0.00 0.00 174.74 172.15 2rnz s HIS 2 N -0.53 -0.59 -0.29 3.88 5.04 -1.26 -5.17 115.29 116.38 2rnz s HIS 2 Ca 0.12 1.35 -0.23 0.00 -1.54 0.00 0.00 55.06 54.76 2rnz s HIS 2 Cb -0.12 0.23 0.17 0.00 0.04 0.00 0.00 32.58 32.90 2rnz s HIS 2 CO 0.02 -0.35 1.24 -3.38 -2.34 0.00 0.00 174.74 169.94 2rnz s HIS 3 N -0.04 -0.25 0.34 3.88 -3.43 -1.26 -5.19 115.29 109.35 2rnz s HIS 3 Ca -0.03 0.58 0.07 0.00 -0.80 0.00 0.00 55.06 54.88 2rnz s HIS 3 Cb -0.04 0.39 -0.03 0.00 -1.43 0.00 0.00 32.58 31.47 2rnz s HIS 3 CO 0.02 -0.12 0.31 -3.38 -2.00 0.00 0.00 174.74 169.58 2rnz s HIS 4 N 0.32 1.73 -0.00 0.38 -3.43 -1.26 -5.18 115.29 107.85 2rnz s HIS 4 Ca 0.03 -1.65 -0.04 0.00 -0.80 0.00 0.00 55.06 52.60 2rnz s HIS 4 Cb -0.05 -0.66 -0.00 0.00 -1.43 0.00 0.00 32.58 30.44 2rnz s HIS 4 CO -0.12 -0.92 0.07 -1.58 -2.00 0.00 0.00 174.74 170.19 2rnz s HIS 5 N -3.33 0.07 -0.04 0.38 2.46 -1.26 -5.16 115.29 108.40 2rnz s HIS 5 Ca 0.40 -0.16 -0.09 0.00 0.47 0.00 0.00 55.06 55.68 2rnz s HIS 5 Cb 0.02 -0.07 0.02 0.00 -0.13 0.00 0.00 32.58 32.41 2rnz s HIS 5 CO 0.28 -0.18 0.21 0.45 -2.47 0.00 0.00 174.74 173.03 2rnz s SER 6 N -0.99 -0.14 -0.38 9.88 0.15 -1.26 -5.07 113.70 115.89 2rnz s SER 6 Ca -0.11 0.18 0.12 0.00 0.70 0.00 0.00 55.95 56.84 2rnz s SER 6 Cb -0.06 0.35 0.44 0.00 -1.71 0.00 0.00 66.02 65.04 2rnz s SER 6 CO 0.00 -0.23 1.00 -0.24 1.20 0.00 0.00 173.24 174.97 2rnz n SER 7 N 2.19 2.83 -1.33 5.45 2.88 -1.26 -4.98 113.62 119.40 2rnz n SER 7 Ca -0.17 -3.16 0.00 0.00 -1.33 0.00 0.00 58.87 54.21 2rnz n SER 7 Cb 0.57 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 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 -0.22 -0.43 3.31 0.46 0.00 -1.26 -5.12 105.19 101.92 2rnz n GLY 8 Ca 0.22 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.13 1.58 -0.56 0.99 1.02 -1.26 -5.12 118.68 114.19 2rnz s LEU 9 Ca 0.00 -1.47 -0.09 0.00 0.02 0.00 0.00 54.13 52.59 2rnz s LEU 9 Cb 0.00 0.16 0.14 0.00 0.02 0.00 0.00 46.19 46.52 2rnz s LEU 9 CO 0.00 -0.82 0.44 -0.69 0.02 0.00 0.00 176.35 175.30 2rnz s VAL 10 N -3.75 4.40 0.10 -1.59 1.01 -1.26 -4.71 120.40 114.61 2rnz s VAL 10 Ca 0.37 -2.10 -0.02 0.00 0.00 0.00 0.00 61.98 60.24 2rnz s VAL 10 Cb 0.06 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.61 2rnz s VAL 10 CO 0.15 -0.84 0.09 -0.81 0.00 0.00 0.00 175.10 173.69 2rnz n PRO 11 N 4.52 -1.20 -2.55 2.72 -0.04 -1.26 -5.01 135.00 132.17 2rnz n PRO 11 Ca -0.02 -0.14 -0.24 0.00 -0.04 0.00 0.00 63.50 63.06 2rnz n PRO 11 Cb 0.41 -0.13 0.13 0.00 -0.04 0.00 0.00 33.50 33.87 2rnz n PRO 11 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2rnz s ARG 12 N -3.20 1.44 0.00 0.54 3.00 -1.26 -5.02 118.95 114.45 2rnz s ARG 12 Ca 0.06 -1.16 0.00 0.00 0.00 0.00 0.00 55.73 54.63 2rnz s ARG 12 Cb -0.01 -2.28 0.00 0.00 0.00 0.00 0.00 34.95 32.66 2rnz s ARG 12 CO 0.04 -1.64 0.00 0.41 0.00 0.00 0.00 175.30 174.11 2rnz n GLY 13 N -2.97 -1.56 2.42 -3.53 0.00 -1.26 -4.76 105.19 93.53 2rnz n GLY 13 Ca 0.16 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 2rnz n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rnz n SER 14 N 0.00 -5.67 -2.08 1.61 2.88 -1.26 -4.95 113.62 104.16 2rnz n SER 14 Ca 0.00 -0.04 -0.07 0.00 -1.33 0.00 0.00 58.87 57.43 2rnz n SER 14 Cb 0.00 -4.68 -0.01 0.00 -0.75 0.00 0.00 64.21 58.78 2rnz n SER 14 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2rnz n HIS 15 N -4.06 -1.28 -3.03 0.66 8.25 -1.26 -5.03 115.22 109.47 2rnz n HIS 15 Ca -0.22 -1.23 -0.20 0.00 -0.26 0.00 0.00 57.72 55.81 2rnz n HIS 15 Cb 0.67 0.39 0.07 0.00 1.12 0.00 0.00 29.99 32.24 2rnz n HIS 15 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2rnz s MET 16 N -2.31 2.24 0.09 -0.41 -1.94 -1.26 -4.92 119.30 110.79 2rnz s MET 16 Ca 0.14 -1.68 0.01 0.00 -1.71 0.00 0.00 55.69 52.44 2rnz s MET 16 Cb -0.01 -2.63 -0.00 0.00 2.01 0.00 0.00 34.83 34.19 2rnz s MET 16 CO 0.10 -0.94 0.02 -1.13 -0.01 0.00 0.00 175.02 173.06 2rnz n SER 17 N -2.30 1.50 0.00 3.03 3.41 -1.26 -5.00 113.62 113.01 2rnz n SER 17 Ca 0.17 -1.45 0.08 0.00 -0.26 0.00 0.00 58.87 57.40 2rnz n SER 17 Cb 0.62 0.16 0.34 0.00 -0.26 0.00 0.00 64.21 65.06 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 -0.22 0.92 0.27 -3.33 3.14 -1.26 -2.90 118.33 114.96 2rnz n VAL 18 Ca -0.02 0.23 0.18 0.00 -2.96 0.00 0.00 64.34 61.77 2rnz n VAL 18 Cb 0.13 -0.97 0.94 0.00 -1.06 0.00 0.00 33.84 32.88 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 0.02 6.55 1.82 -2.04 -0.71 116.42 122.06 2rnz h ASP 19 Ca 0.00 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.42 2rnz h ASP 19 Cb 0.27 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.24 2rnz h ASP 19 CO 0.00 0.00 -2.21 -0.67 -1.61 0.00 0.00 179.24 174.75 2rnz n ASP 20 N -3.45 0.02 -4.83 2.28 2.03 -1.14 -4.95 116.55 106.51 2rnz n ASP 20 Ca -0.01 0.01 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 2rnz n ASP 20 Cb 0.25 1.39 -0.06 0.00 -0.72 0.00 0.00 41.12 41.98 2rnz n ASP 20 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2rnz s ILE 21 N -2.92 4.77 0.15 5.18 1.01 -0.27 -4.98 121.20 124.14 2rnz s ILE 21 Ca -0.09 1.00 0.01 0.00 0.00 0.00 0.00 60.65 61.57 2rnz s ILE 21 Cb 0.09 -3.79 -0.00 0.00 0.01 0.00 0.00 42.46 38.77 2rnz s ILE 21 CO 0.86 0.28 0.05 2.30 0.00 0.00 0.00 174.94 178.43 2rnz n ILE 22 N 0.93 0.00 -3.22 2.92 -5.35 -1.26 -4.87 119.36 108.50 2rnz n ILE 22 Ca -0.05 -0.86 -0.32 0.00 -0.27 0.00 0.00 62.75 61.25 2rnz n ILE 22 Cb 0.51 0.29 -0.05 0.00 -1.74 0.00 0.00 39.64 38.65 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 -2.03 4.80 -1.59 7.28 -1.09 -1.26 -4.03 121.20 123.28 2rnz s ILE 23 Ca 0.06 0.69 -0.03 0.00 -2.23 0.00 0.00 60.65 59.15 2rnz s ILE 23 Cb 0.00 -3.63 0.01 0.00 -1.58 0.00 0.00 42.46 37.26 2rnz s ILE 23 CO 0.05 -0.18 0.29 0.29 -1.23 0.00 0.00 174.94 174.16 2rnz n LYS 24 N -0.40 -3.23 -3.86 2.79 4.76 0.86 -4.98 118.16 114.11 2rnz n LYS 24 Ca 0.02 0.90 -0.21 0.00 -2.87 0.00 0.00 58.31 56.15 2rnz n LYS 24 Cb 0.53 -5.65 -0.03 0.00 -1.84 0.00 0.00 35.03 28.05 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 -3.99 4.00 -0.03 0.00 -2.07 -1.26 -0.77 119.66 115.52 2rnz s GLN 26 Ca 0.38 0.33 0.02 0.00 -1.82 0.00 0.00 55.36 54.27 2rnz s GLN 26 Cb -0.08 -3.68 -0.03 0.00 -1.09 0.00 0.00 33.01 28.12 2rnz s GLN 26 CO 0.28 -0.45 -0.08 0.00 -1.32 0.00 0.00 175.29 173.73 2rnz s TRP 28 N -0.88 3.35 -0.38 0.00 0.52 -1.26 -1.21 118.94 119.08 2rnz s TRP 28 Ca 0.14 0.35 -0.14 0.00 0.02 0.00 0.00 56.10 56.47 2rnz s TRP 28 Cb -0.11 -2.30 0.01 0.00 -1.15 0.00 0.00 33.47 29.91 2rnz s TRP 28 CO 0.04 0.11 0.28 0.08 0.02 0.00 0.00 176.95 177.47 2rnz s VAL 29 N 0.93 5.27 -0.65 4.03 1.01 0.34 -4.10 120.40 127.24 2rnz s VAL 29 Ca 0.10 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 2rnz s VAL 29 Cb -0.13 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.45 2rnz s VAL 29 CO 0.04 -0.20 1.05 -1.58 0.00 0.00 0.00 175.10 174.41 2rnz s GLN 30 N 1.70 3.21 0.76 2.72 0.74 -1.26 -1.31 119.66 126.22 2rnz s GLN 30 Ca 0.05 -0.47 -0.12 0.00 0.05 0.00 0.00 55.36 54.88 2rnz s GLN 30 Cb -0.18 -4.16 0.05 0.00 1.10 0.00 0.00 33.01 29.81 2rnz s GLN 30 CO 0.10 -1.81 1.11 0.21 -0.55 0.00 0.00 175.29 174.35 2rnz s LYS 31 N 4.52 2.41 0.08 1.67 2.47 -0.72 -4.99 119.74 125.18 2rnz s LYS 31 Ca 0.29 0.49 -0.25 0.00 -1.56 0.00 0.00 55.97 54.93 2rnz s LYS 31 Cb -0.13 -1.97 -0.11 0.00 -1.46 0.00 0.00 37.83 34.17 2rnz s LYS 31 CO 0.15 -1.35 1.40 -0.97 0.16 0.00 0.00 175.35 174.73 2rnz h ASN 32 N -0.89 -1.17 0.00 1.43 -1.24 -2.02 -3.29 115.58 108.40 2rnz h ASN 32 Ca -0.46 0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.67 2rnz h ASN 32 Cb 1.27 0.43 0.00 0.00 0.73 0.00 0.00 38.32 40.75 2rnz h ASN 32 CO 0.62 -0.40 -0.08 0.47 -1.29 0.00 0.00 177.43 176.75 2rnz n ASP 33 N -4.65 1.93 -2.89 1.15 9.92 -1.26 -5.05 116.55 115.70 2rnz n ASP 33 Ca -0.06 -2.85 -0.16 0.00 -0.53 0.00 0.00 54.79 51.18 2rnz n ASP 33 Cb 0.30 -0.37 -0.07 0.00 -0.64 0.00 0.00 41.12 40.34 2rnz n ASP 33 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2rnz n GLU 34 N -1.16 0.35 -3.74 -1.24 1.02 -1.24 -5.17 120.64 109.47 2rnz n GLU 34 Ca 0.13 -2.81 -0.17 0.00 -0.02 0.00 0.00 57.16 54.29 2rnz n GLU 34 Cb 0.63 2.32 -0.17 0.00 -0.02 0.00 0.00 31.44 34.21 2rnz n GLU 34 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2rnz s GLU 35 N -3.14 -0.05 0.28 3.49 2.02 -1.26 -1.75 118.70 118.29 2rnz s GLU 35 Ca 0.34 0.25 0.04 0.00 0.02 0.00 0.00 54.97 55.61 2rnz s GLU 35 Cb 0.02 -0.33 -0.06 0.00 0.10 0.00 0.00 34.13 33.86 2rnz s GLU 35 CO 0.24 -0.22 0.03 1.03 0.02 0.00 0.00 175.26 176.36 2rnz s ARG 36 N 1.41 1.52 -0.01 1.61 0.52 -0.43 -4.95 118.95 118.62 2rnz s ARG 36 Ca -0.05 -1.81 -0.00 0.00 -0.52 0.00 0.00 55.73 53.35 2rnz s ARG 36 Cb -0.13 -0.75 0.01 0.00 0.52 0.00 0.00 34.95 34.60 2rnz s ARG 36 CO -0.03 -0.15 0.01 -1.17 0.02 0.00 0.00 175.30 173.98 2rnz s LEU 37 N -3.41 1.76 0.27 2.53 0.20 -1.26 -0.51 118.68 118.26 2rnz s LEU 37 Ca 0.34 0.01 0.03 0.00 0.69 0.00 0.00 54.13 55.20 2rnz s LEU 37 Cb 0.07 -0.02 -0.03 0.00 -0.43 0.00 0.00 46.19 45.78 2rnz s LEU 37 CO 0.13 -0.03 0.21 0.00 -0.29 0.00 0.00 176.35 176.37 2rnz s ALA 38 N 0.28 1.51 0.21 5.97 0.00 -0.35 -4.89 121.76 124.49 2rnz s ALA 38 Ca -0.02 -1.88 0.08 0.00 0.00 0.00 0.00 51.96 50.13 2rnz s ALA 38 Cb -0.03 1.43 -0.04 0.00 0.00 0.00 0.00 23.12 24.48 2rnz s ALA 38 CO -0.01 -0.63 0.00 -2.00 0.00 0.00 0.00 175.76 173.13 2rnz s GLU 39 N -3.79 2.38 -0.23 0.00 2.12 -0.41 -0.44 118.70 118.33 2rnz s GLU 39 Ca 0.40 -1.21 -0.11 0.00 0.36 0.00 0.00 54.97 54.41 2rnz s GLU 39 Cb 0.05 -2.30 -0.05 0.00 0.26 0.00 0.00 34.13 32.09 2rnz s GLU 39 CO 0.20 0.42 0.16 0.42 -0.54 0.00 0.00 175.26 175.92 2rnz s ILE 40 N -1.94 5.36 -0.01 -3.70 -1.09 0.05 -0.82 121.20 119.06 2rnz s ILE 40 Ca 0.29 0.20 -0.01 0.00 -2.23 0.00 0.00 60.65 58.90 2rnz s ILE 40 Cb -0.08 -3.50 -0.00 0.00 -1.58 0.00 0.00 42.46 37.29 2rnz s ILE 40 CO 0.19 0.36 -0.01 0.18 -1.23 0.00 0.00 174.94 174.43 2rnz n LEU 41 N 4.15 0.08 -4.55 2.97 4.77 -0.39 -0.10 117.00 123.93 2rnz n LEU 41 Ca -0.15 0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.59 2rnz n LEU 41 Cb 0.52 -0.45 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 2rnz n LEU 41 CO 0.36 -0.49 -0.39 -0.44 -1.33 0.00 0.00 177.39 175.09 2rnz s SER 42 N -4.21 3.80 -0.01 -1.43 0.01 -1.26 -4.44 113.70 106.16 2rnz s SER 42 Ca -0.01 -1.11 -0.00 0.00 1.31 0.00 0.00 55.95 56.14 2rnz s SER 42 Cb 0.00 -0.39 0.01 0.00 0.21 0.00 0.00 66.02 65.85 2rnz s SER 42 CO 0.02 -0.15 0.01 -0.63 0.41 0.00 0.00 173.24 172.90 2rnz s ILE 43 N -2.56 -0.02 -0.02 1.44 1.01 -1.26 -0.75 121.20 119.04 2rnz s ILE 43 Ca 0.32 0.06 -0.03 0.00 0.00 0.00 0.00 60.65 61.00 2rnz s ILE 43 Cb 0.00 -0.03 -0.04 0.00 0.01 0.00 0.00 42.46 42.40 2rnz s ILE 43 CO 0.17 0.02 0.18 0.20 0.00 0.00 0.00 174.94 175.51 2rnz s ASN 44 N 0.30 6.38 -0.02 3.58 0.01 -1.21 -5.00 114.94 118.97 2rnz s ASN 44 Ca -0.02 0.36 0.13 0.00 -0.71 0.00 0.00 52.86 52.62 2rnz s ASN 44 Cb -0.04 -2.01 0.22 0.00 0.41 0.00 0.00 41.25 39.84 2rnz s ASN 44 CO -0.01 0.28 1.09 0.35 -1.51 0.00 0.00 177.10 177.30 2rnz n THR 45 N 1.06 0.27 -0.06 1.60 -2.24 -1.26 -3.86 114.28 109.78 2rnz n THR 45 Ca -0.12 -0.77 -0.08 0.00 -2.27 0.00 0.00 64.05 60.82 2rnz n THR 45 Cb 0.53 0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 69.30 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 0.47 0.00 -6.08 -0.78 2.43 -1.97 -3.47 114.38 104.98 2rnz h ARG 46 Ca -0.09 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.53 2rnz h ARG 46 Cb 1.55 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 30.92 2rnz h ARG 46 CO 0.04 0.55 -0.80 0.15 -1.51 0.00 0.00 179.97 178.40 2rnz s LYS 47 N -1.92 1.29 0.14 0.20 -0.14 -1.26 -5.15 119.74 112.89 2rnz s LYS 47 Ca -0.11 -1.38 0.04 0.00 -1.36 0.00 0.00 55.97 53.16 2rnz s LYS 47 Cb -0.02 -1.42 -0.04 0.00 -1.68 0.00 0.00 37.83 34.67 2rnz s LYS 47 CO 0.38 0.30 0.12 0.00 -0.76 0.00 0.00 175.35 175.38 2rnz s ALA 48 N -1.83 3.56 0.84 5.17 0.00 -1.26 -4.02 121.76 124.22 2rnz s ALA 48 Ca 0.15 -1.16 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 2rnz s ALA 48 Cb -0.07 -1.38 0.09 0.00 0.00 0.00 0.00 23.12 21.77 2rnz s ALA 48 CO 0.07 0.58 1.09 -1.25 0.00 0.00 0.00 175.76 176.24 2rnz s PRO 49 N -2.89 1.75 0.53 0.00 0.04 -1.26 -4.82 135.00 128.34 2rnz s PRO 49 Ca 0.30 0.99 -0.20 0.00 0.04 0.00 0.00 61.00 62.14 2rnz s PRO 49 Cb -0.11 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 2rnz s PRO 49 CO 0.23 -1.95 1.14 -1.25 0.04 0.00 0.00 177.00 175.20 2rnz s PRO 50 N -4.92 3.44 0.44 0.56 0.04 -1.26 -4.92 135.00 128.38 2rnz s PRO 50 Ca 0.62 1.64 0.06 0.00 0.04 0.00 0.00 61.00 63.37 2rnz s PRO 50 Cb -0.18 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 2rnz s PRO 50 CO 0.56 -0.78 0.11 0.15 0.04 0.00 0.00 177.00 177.08 2rnz s LYS 51 N -3.17 2.13 -0.06 4.56 1.02 -1.25 -3.57 119.74 119.40 2rnz s LYS 51 Ca 0.71 -2.04 -0.09 0.00 0.02 0.00 0.00 55.97 54.57 2rnz s LYS 51 Cb -0.25 -1.80 0.02 0.00 -0.52 0.00 0.00 37.83 35.28 2rnz s LYS 51 CO 0.28 -0.16 0.22 -0.06 -0.92 0.00 0.00 175.35 174.71 2rnz s PHE 52 N -2.69 -0.17 -0.36 3.18 0.40 0.06 -3.29 117.98 115.11 2rnz s PHE 52 Ca 0.33 0.40 -0.23 0.00 -0.60 0.00 0.00 56.93 56.82 2rnz s PHE 52 Cb 0.05 0.06 0.01 0.00 0.51 0.00 0.00 43.02 43.65 2rnz s PHE 52 CO 0.18 -0.20 0.78 -0.47 0.70 0.00 0.00 175.22 176.22 2rnz s TYR 53 N -0.42 3.12 -0.06 0.36 6.14 0.07 -1.14 117.35 125.43 2rnz s TYR 53 Ca -0.05 0.57 -0.15 0.00 0.64 0.00 0.00 57.07 58.08 2rnz s TYR 53 Cb -0.03 -3.38 -0.05 0.00 0.42 0.00 0.00 41.96 38.91 2rnz s TYR 53 CO 0.01 -0.72 0.40 0.14 0.64 0.00 0.00 175.55 176.02 2rnz s VAL 54 N 3.08 5.13 0.07 3.14 -7.23 0.96 -1.27 120.40 124.28 2rnz s VAL 54 Ca 0.31 0.81 0.05 0.00 -1.81 0.00 0.00 61.98 61.34 2rnz s VAL 54 Cb -0.13 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.06 2rnz s VAL 54 CO 0.16 0.48 -0.14 -2.28 -0.31 0.00 0.00 175.10 173.02 2rnz s HIS 55 N -0.37 1.18 -0.27 2.82 2.46 0.00 -2.28 115.29 118.83 2rnz s HIS 55 Ca 0.23 -0.46 -0.11 0.00 0.47 0.00 0.00 55.06 55.19 2rnz s HIS 55 Cb -0.16 -0.67 -0.05 0.00 -0.13 0.00 0.00 32.58 31.58 2rnz s HIS 55 CO 0.11 0.05 0.18 0.71 -2.47 0.00 0.00 174.74 173.32 2rnz s TYR 56 N -1.26 3.24 0.25 3.88 1.51 -1.26 -1.29 117.35 122.42 2rnz s TYR 56 Ca -0.02 0.14 -0.30 0.00 -1.01 0.00 0.00 57.07 55.88 2rnz s TYR 56 Cb -0.10 -2.35 -0.10 0.00 -0.11 0.00 0.00 41.96 39.30 2rnz s TYR 56 CO 0.02 -0.10 1.41 0.14 -1.11 0.00 0.00 175.55 175.91 2rnz s VAL 57 N 1.57 2.73 -1.49 0.71 -7.23 -1.26 -2.77 120.40 112.65 2rnz s VAL 57 Ca 0.07 0.63 -0.11 0.00 -1.81 0.00 0.00 61.98 60.76 2rnz s VAL 57 Cb -0.15 -3.40 0.07 0.00 0.56 0.00 0.00 36.38 33.46 2rnz s VAL 57 CO 0.09 0.10 0.89 0.59 -0.31 0.00 0.00 175.10 176.47 2rnz n ASN 58 N 2.19 -3.77 -4.21 4.85 4.13 -1.26 -4.97 115.26 112.22 2rnz n ASN 58 Ca 0.06 -0.81 -0.12 0.00 1.68 0.00 0.00 54.58 55.38 2rnz n ASN 58 Cb 0.41 -3.80 -0.10 0.00 -1.54 0.00 0.00 39.78 34.74 2rnz n ASN 58 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2rnz s TYR 59 N -3.41 1.14 1.26 3.10 5.04 -1.11 -5.16 117.35 118.22 2rnz s TYR 59 Ca 0.51 -1.28 -0.19 0.00 -2.44 0.00 0.00 57.07 53.67 2rnz s TYR 59 Cb -0.26 -0.60 0.28 0.00 0.35 0.00 0.00 41.96 41.73 2rnz s TYR 59 CO 0.84 -0.53 0.65 -1.71 -1.34 0.00 0.00 175.55 173.46 2rnz n ASN 60 N -0.25 -3.17 -0.06 4.32 2.85 -1.26 -4.92 115.26 112.77 2rnz n ASN 60 Ca -0.01 -0.51 -0.02 0.00 -0.11 0.00 0.00 54.58 53.93 2rnz n ASN 60 Cb 0.65 -0.99 -0.15 0.00 1.24 0.00 0.00 39.78 40.53 2rnz n ASN 60 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2rnz n LYS 61 N -4.18 0.85 -0.18 1.20 0.00 -1.26 -4.37 118.16 110.22 2rnz n LYS 61 Ca 0.07 -0.07 0.20 0.00 -0.00 0.00 0.00 58.31 58.51 2rnz n LYS 61 Cb 0.53 -1.47 0.57 0.00 -0.00 0.00 0.00 35.03 34.66 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 0.28 0.00 -1.58 0.11 -2.03 0.21 114.38 111.37 2rnz h ARG 62 Ca -0.31 -0.02 -0.19 0.00 0.10 0.00 0.00 59.98 59.56 2rnz h ARG 62 Cb 1.68 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 32.67 2rnz h ARG 62 CO 0.02 0.18 -0.89 1.25 0.10 0.00 0.00 179.97 180.63 2rnz h LEU 63 N 0.29 0.03 -8.51 0.08 5.85 -1.97 -3.44 115.31 107.64 2rnz h LEU 63 Ca 0.40 -0.03 -0.60 0.00 0.84 0.00 0.00 57.88 58.50 2rnz h LEU 63 Cb 1.14 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 2rnz h LEU 63 CO -0.11 0.91 1.52 -0.67 -0.34 0.00 0.00 178.44 179.75 2rnz n ASP 64 N -3.50 1.98 -3.48 1.25 2.03 0.74 -4.89 116.55 110.68 2rnz n ASP 64 Ca -0.01 0.17 -0.22 0.00 0.52 0.00 0.00 54.79 55.25 2rnz n ASP 64 Cb 0.84 -1.30 -0.08 0.00 -0.72 0.00 0.00 41.12 39.86 2rnz n ASP 64 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2rnz s GLU 65 N 7.06 1.85 -0.01 -0.67 4.04 -0.97 -5.02 118.70 124.98 2rnz s GLU 65 Ca 1.10 -2.10 0.07 0.00 0.04 0.00 0.00 54.97 54.08 2rnz s GLU 65 Cb -0.74 0.10 -0.02 0.00 0.02 0.00 0.00 34.13 33.50 2rnz s GLU 65 CO 0.43 -0.64 -0.22 1.67 -1.84 0.00 0.00 175.26 174.66 2rnz s TRP 66 N -3.33 1.98 0.40 4.83 1.48 -1.26 -0.03 118.94 123.01 2rnz s TRP 66 Ca 0.36 -0.37 0.04 0.00 -1.06 0.00 0.00 56.10 55.06 2rnz s TRP 66 Cb 0.02 -1.27 -0.03 0.00 -1.16 0.00 0.00 33.47 31.03 2rnz s TRP 66 CO 0.25 -0.03 0.13 0.96 -4.06 0.00 0.00 176.95 174.21 2rnz s ILE 67 N -0.53 0.60 0.27 0.66 -4.36 -0.29 -4.92 121.20 112.64 2rnz s ILE 67 Ca 0.09 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.52 2rnz s ILE 67 Cb -0.09 -2.38 0.05 0.00 1.25 0.00 0.00 42.46 41.29 2rnz s ILE 67 CO -0.01 0.00 0.38 0.35 0.24 0.00 0.00 174.94 175.90 2rnz n THR 68 N -0.88 0.00 0.22 8.37 -2.24 -1.26 -0.76 114.28 117.73 2rnz n THR 68 Ca -0.05 -0.91 0.11 0.00 -2.27 0.00 0.00 64.05 60.93 2rnz n THR 68 Cb 0.65 -0.77 0.40 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.04 0.38 -0.61 4.28 1.03 -1.81 -2.84 112.91 113.38 2rnz h THR 69 Ca -0.13 -1.12 0.18 0.00 -0.01 0.00 0.00 66.41 65.34 2rnz h THR 69 Cb 0.59 1.84 -0.02 0.00 -1.07 0.00 0.00 68.15 69.48 2rnz h THR 69 CO 0.18 0.17 0.49 0.44 -0.01 0.00 0.00 175.52 176.79 2rnz h ASP 70 N 0.00 0.00 0.00 0.00 5.19 -1.94 -1.12 116.42 118.55 2rnz h ASP 70 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2rnz h ASP 70 Cb 0.83 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.34 2rnz h ASP 70 CO 0.02 0.00 -1.58 0.54 -3.12 0.00 0.00 179.24 175.11 2rnz n ARG 71 N -4.14 0.46 -3.59 3.56 1.74 -1.18 -4.93 116.66 108.58 2rnz n ARG 71 Ca 0.12 -0.11 -0.38 0.00 -0.77 0.00 0.00 57.85 56.71 2rnz n ARG 71 Cb 0.73 -1.29 -0.11 0.00 -1.02 0.00 0.00 32.46 30.77 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 -2.83 5.31 -0.32 0.55 1.01 -0.42 -4.01 121.20 120.49 2rnz s ILE 72 Ca -0.05 0.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.59 2rnz s ILE 72 Cb 0.08 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 2rnz s ILE 72 CO 0.51 0.25 0.56 0.21 0.00 0.00 0.00 174.94 176.47 2rnz s ASN 73 N 1.73 6.40 1.07 3.58 2.47 -1.26 -4.61 114.94 124.33 2rnz s ASN 73 Ca 0.07 0.25 -0.17 0.00 0.42 0.00 0.00 52.86 53.44 2rnz s ASN 73 Cb -0.16 -2.29 0.08 0.00 -1.45 0.00 0.00 41.25 37.43 2rnz s ASN 73 CO 0.11 -0.44 0.10 0.18 -3.72 0.00 0.00 177.10 173.33 2rnz n LEU 74 N 5.76 -1.72 -0.09 3.21 7.99 -1.26 -4.76 117.00 126.13 2rnz n LEU 74 Ca -0.03 0.02 -0.09 0.00 -0.01 0.00 0.00 56.01 55.90 2rnz n LEU 74 Cb 0.49 -1.03 -0.03 0.00 -0.11 0.00 0.00 43.42 42.75 2rnz n LEU 74 CO 0.44 -3.28 -0.65 -0.67 -1.51 0.00 0.00 177.39 171.72 2rnz n ASP 75 N -1.46 1.86 -4.40 -1.43 -0.08 -1.26 -5.01 116.55 104.77 2rnz n ASP 75 Ca 0.02 0.32 -0.32 0.00 -1.51 0.00 0.00 54.79 53.30 2rnz n ASP 75 Cb 0.60 -0.73 0.15 0.00 2.34 0.00 0.00 41.12 43.48 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 -4.38 -0.90 -4.45 -0.67 4.76 -1.26 -5.03 118.16 106.23 2rnz n LYS 76 Ca -0.13 -0.23 -0.25 0.00 -2.87 0.00 0.00 58.31 54.83 2rnz n LYS 76 Cb 0.50 -1.89 -0.10 0.00 -1.84 0.00 0.00 35.03 31.71 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 -3.74 1.88 0.02 1.97 -1.05 -1.26 -4.79 118.70 111.74 2rnz s GLU 77 Ca 0.59 -1.80 -0.31 0.00 -0.15 0.00 0.00 54.97 53.30 2rnz s GLU 77 Cb -0.19 -1.82 -0.09 0.00 -0.44 0.00 0.00 34.13 31.59 2rnz s GLU 77 CO 0.66 0.22 1.96 0.28 0.95 0.00 0.00 175.26 179.32 2rnz n VAL 78 N -0.79 0.73 -3.62 1.83 0.31 -1.26 -4.95 118.33 110.59 2rnz n VAL 78 Ca -0.05 -0.13 -0.29 0.00 -0.01 0.00 0.00 64.34 63.86 2rnz n VAL 78 Cb 0.62 -2.25 -0.13 0.00 -0.91 0.00 0.00 33.84 31.17 2rnz n VAL 78 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2rnz s LEU 79 N 4.34 2.07 -0.64 7.52 1.43 -1.26 -5.05 118.68 127.09 2rnz s LEU 79 Ca 0.89 -2.47 0.02 0.00 -1.03 0.00 0.00 54.13 51.54 2rnz s LEU 79 Cb -0.47 -0.80 0.16 0.00 0.03 0.00 0.00 46.19 45.11 2rnz s LEU 79 CO 0.43 -0.28 0.42 -0.31 0.23 0.00 0.00 176.35 176.85 2rnz s TYR 80 N 0.61 3.42 -0.44 0.29 2.02 -1.26 -5.06 117.35 116.93 2rnz s TYR 80 Ca 0.18 -3.13 -0.28 0.00 -0.37 0.00 0.00 57.07 53.47 2rnz s TYR 80 Cb -0.23 -2.90 -0.01 0.00 -0.40 0.00 0.00 41.96 38.41 2rnz s TYR 80 CO 0.00 -0.70 1.75 -1.25 -1.57 0.00 0.00 175.55 173.79 2rnz s PRO 81 N -0.74 3.15 -0.23 -1.71 0.04 -1.26 -4.94 135.00 129.30 2rnz s PRO 81 Ca 0.21 1.08 -0.09 0.00 0.04 0.00 0.00 61.00 62.24 2rnz s PRO 81 Cb -0.16 -4.23 0.10 0.00 0.04 0.00 0.00 34.50 30.25 2rnz s PRO 81 CO -0.07 -2.09 0.50 0.15 0.04 0.00 0.00 177.00 175.53 2rnz s LYS 82 N 5.98 0.43 0.27 4.56 1.02 -1.26 -5.14 119.74 125.59 2rnz s LYS 82 Ca 0.72 1.14 -0.30 0.00 0.02 0.00 0.00 55.97 57.56 2rnz s LYS 82 Cb -0.18 0.43 -0.13 0.00 -0.52 0.00 0.00 37.83 37.43 2rnz s LYS 82 CO 0.29 -0.22 1.28 1.28 -0.92 0.00 0.00 175.35 177.06 2rnz n LEU 83 N 5.21 2.80 -3.81 3.17 4.77 -1.26 -5.00 117.00 122.87 2rnz n LEU 83 Ca -0.12 1.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.90 2rnz n LEU 83 Cb 0.51 -1.39 -0.12 0.00 -2.33 0.00 0.00 43.42 40.08 2rnz n LEU 83 CO -0.00 -0.75 -0.18 -0.75 -1.33 0.00 0.00 177.39 174.38 2rnz s LYS 84 N -0.99 0.19 0.11 3.23 2.47 -1.26 -5.12 119.74 118.37 2rnz s LYS 84 Ca 0.64 0.24 -0.35 0.00 -1.56 0.00 0.00 55.97 54.94 2rnz s LYS 84 Cb -0.66 0.09 -0.14 0.00 -1.46 0.00 0.00 37.83 35.65 2rnz s LYS 84 CO 0.55 -0.03 1.55 0.00 0.16 0.00 0.00 175.35 177.58 2rnz n ALA 85 N 3.04 0.73 -2.49 3.13 0.00 -1.26 -4.98 120.51 118.67 2rnz n ALA 85 Ca -0.13 0.45 -0.25 0.00 0.00 0.00 0.00 53.44 53.50 2rnz n ALA 85 Cb 0.59 -2.30 -0.15 0.00 0.00 0.00 0.00 19.45 17.59 2rnz n ALA 85 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2rnz s THR 86 N 1.16 1.44 -1.31 0.00 -1.32 -1.26 -4.73 115.64 109.61 2rnz s THR 86 Ca 0.82 -0.78 -0.07 0.00 -1.21 0.00 0.00 61.69 60.45 2rnz s THR 86 Cb -0.76 -1.20 0.05 0.00 -1.51 0.00 0.00 72.50 69.09 2rnz s THR 86 CO 0.42 0.41 0.46 -0.67 -2.21 0.00 0.00 174.62 173.02 2rnz n ASP 87 N 2.65 -4.20 -4.75 8.08 2.03 -1.26 -4.91 116.55 114.19 2rnz n ASP 87 Ca -0.15 -0.30 -0.40 0.00 0.52 0.00 0.00 54.79 54.46 2rnz n ASP 87 Cb 0.54 -3.46 -0.05 0.00 -0.72 0.00 0.00 41.12 37.42 2rnz n ASP 87 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2rnz s GLU 88 N -5.84 4.76 0.00 -0.67 4.04 -1.26 -5.35 118.70 114.38 2rnz s GLU 88 Ca 0.34 1.58 0.06 0.00 0.04 0.00 0.00 54.97 56.98 2rnz s GLU 88 Cb -0.17 -3.28 0.04 0.00 0.02 0.00 0.00 34.13 30.75 2rnz s GLU 88 CO 0.41 0.36 0.68 -0.40 -1.84 0.00 0.00 175.26 174.46