#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 5.91 2.61 3.03 0.00 -1.26 -5.19 105.19 110.29 2rnz n GLY -3 Ca 0.00 -1.57 -0.18 0.00 0.00 0.00 0.00 46.02 44.27 2rnz n GLY -3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rnz n SER -2 N 0.00 0.41 -3.81 1.61 7.64 -1.26 -5.18 113.62 113.04 2rnz n SER -2 Ca 0.00 -2.73 -0.10 0.00 1.01 0.00 0.00 58.87 57.05 2rnz n SER -2 Cb 0.00 1.04 -0.08 0.00 -1.01 0.00 0.00 64.21 64.16 2rnz n SER -2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2rnz s SER -1 N -2.93 -0.01 0.56 6.43 0.01 -1.26 -5.18 113.70 111.33 2rnz s SER -1 Ca 0.23 -0.36 0.03 0.00 1.31 0.00 0.00 55.95 57.16 2rnz s SER -1 Cb 0.01 0.33 0.05 0.00 0.21 0.00 0.00 66.02 66.63 2rnz s SER -1 CO 0.16 -0.63 0.78 -1.38 0.41 0.00 0.00 173.24 172.59 2rnz s HIS 0 N -2.88 2.43 -0.28 2.43 -3.43 -1.26 -5.13 115.29 107.17 2rnz s HIS 0 Ca -0.03 -0.22 -0.24 0.00 -0.80 0.00 0.00 55.06 53.77 2rnz s HIS 0 Cb 0.00 -2.67 0.11 0.00 -1.43 0.00 0.00 32.58 28.59 2rnz s HIS 0 CO -0.06 -0.98 0.93 -1.58 -2.00 0.00 0.00 174.74 171.05 2rnz s HIS 1 N -2.75 -0.59 -0.28 0.38 5.04 -1.26 -5.13 115.29 110.71 2rnz s HIS 1 Ca 0.59 1.41 -0.29 0.00 -1.54 0.00 0.00 55.06 55.23 2rnz s HIS 1 Cb -0.09 0.34 -0.01 0.00 0.04 0.00 0.00 32.58 32.87 2rnz s HIS 1 CO 0.39 -0.28 1.41 -1.58 -2.34 0.00 0.00 174.74 172.34 2rnz s HIS 2 N 0.35 2.47 0.07 3.88 2.46 -1.26 -5.01 115.29 118.25 2rnz s HIS 2 Ca 0.01 0.75 0.02 0.00 0.47 0.00 0.00 55.06 56.31 2rnz s HIS 2 Cb -0.05 -3.95 -0.04 0.00 -0.13 0.00 0.00 32.58 28.41 2rnz s HIS 2 CO -0.05 -2.14 0.13 -1.01 -2.47 0.00 0.00 174.74 169.21 2rnz s HIS 3 N 4.71 3.33 -0.03 3.88 3.76 -1.26 -5.11 115.29 124.57 2rnz s HIS 3 Ca 0.62 0.16 -0.00 0.00 -0.15 0.00 0.00 55.06 55.68 2rnz s HIS 3 Cb -0.19 -1.69 0.03 0.00 1.11 0.00 0.00 32.58 31.84 2rnz s HIS 3 CO 0.26 0.55 0.03 -1.01 -0.85 0.00 0.00 174.74 173.71 2rnz s HIS 4 N -1.43 0.14 -0.55 1.40 3.76 -1.26 -5.06 115.29 112.29 2rnz s HIS 4 Ca 0.31 0.10 0.05 0.00 -0.15 0.00 0.00 55.06 55.38 2rnz s HIS 4 Cb -0.13 -0.34 0.35 0.00 1.11 0.00 0.00 32.58 33.58 2rnz s HIS 4 CO 0.24 -0.12 0.96 0.72 -0.85 0.00 0.00 174.74 175.69 2rnz n HIS 5 N 4.37 3.79 -3.82 1.40 8.25 -1.26 -4.96 115.22 123.00 2rnz n HIS 5 Ca -0.23 -3.85 -0.31 0.00 -0.26 0.00 0.00 57.72 53.06 2rnz n HIS 5 Cb 0.50 -0.43 -0.11 0.00 1.12 0.00 0.00 29.99 31.08 2rnz n HIS 5 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2rnz s SER 6 N -3.44 5.11 -0.25 0.41 0.01 -1.26 -5.03 113.70 109.25 2rnz s SER 6 Ca 0.48 -3.58 -0.27 0.00 1.31 0.00 0.00 55.95 53.89 2rnz s SER 6 Cb 0.30 -1.74 0.15 0.00 0.21 0.00 0.00 66.02 64.95 2rnz s SER 6 CO -0.14 -0.17 1.19 -0.94 0.41 0.00 0.00 173.24 173.59 2rnz s SER 7 N -0.68 -0.25 -1.25 2.44 1.04 -1.26 -5.08 113.70 108.65 2rnz s SER 7 Ca 0.23 0.38 -0.15 0.00 0.48 0.00 0.00 55.95 56.90 2rnz s SER 7 Cb -0.10 0.36 0.13 0.00 0.10 0.00 0.00 66.02 66.50 2rnz s SER 7 CO -0.11 -0.15 1.58 0.61 0.98 0.00 0.00 173.24 176.15 2rnz n GLY 8 N 1.31 3.10 2.90 7.32 0.00 -1.26 -4.93 105.19 113.63 2rnz n GLY 8 Ca -0.09 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 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 2.61 2.06 0.53 0.99 1.98 -1.26 -4.96 118.68 120.63 2rnz s LEU 9 Ca 0.47 -0.12 -0.18 0.00 -2.89 0.00 0.00 54.13 51.41 2rnz s LEU 9 Cb 0.00 0.01 -0.07 0.00 0.66 0.00 0.00 46.19 46.80 2rnz s LEU 9 CO 0.03 -0.07 1.04 0.68 -1.89 0.00 0.00 176.35 176.14 2rnz s VAL 10 N -0.35 3.92 0.69 1.68 -7.23 -1.26 -5.02 120.40 112.84 2rnz s VAL 10 Ca -0.04 1.04 -0.14 0.00 -1.81 0.00 0.00 61.98 61.04 2rnz s VAL 10 Cb -0.02 -3.46 0.02 0.00 0.56 0.00 0.00 36.38 33.47 2rnz s VAL 10 CO -0.00 -0.41 1.11 -2.16 -0.31 0.00 0.00 175.10 173.32 2rnz s PRO 11 N -3.68 2.64 -0.14 4.82 0.04 -1.26 -5.01 135.00 132.41 2rnz s PRO 11 Ca 0.64 1.33 -0.33 0.00 0.04 0.00 0.00 61.00 62.68 2rnz s PRO 11 Cb -0.15 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.58 2rnz s PRO 11 CO 0.28 -1.37 1.15 -0.98 0.04 0.00 0.00 177.00 176.13 2rnz s ARG 12 N -4.33 0.42 -0.13 4.56 1.70 -1.26 -4.95 118.95 114.96 2rnz s ARG 12 Ca 0.65 -0.17 -0.09 0.00 -0.47 0.00 0.00 55.73 55.65 2rnz s ARG 12 Cb -0.20 0.19 0.04 0.00 -0.57 0.00 0.00 34.95 34.41 2rnz s ARG 12 CO 0.46 -0.19 0.18 0.41 -1.08 0.00 0.00 175.30 175.08 2rnz n GLY 13 N -0.16 -5.20 3.56 3.88 0.00 -1.26 -4.86 105.19 101.15 2rnz n GLY 13 Ca -0.02 1.29 -0.08 0.00 0.00 0.00 0.00 46.02 47.22 2rnz n GLY 13 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rnz s SER 14 N -0.59 -0.28 0.22 1.61 0.15 -1.26 -4.72 113.70 108.83 2rnz s SER 14 Ca -0.21 0.12 -0.05 0.00 0.70 0.00 0.00 55.95 56.51 2rnz s SER 14 Cb 0.01 0.27 0.19 0.00 -1.71 0.00 0.00 66.02 64.78 2rnz s SER 14 CO 0.57 -0.39 1.66 0.45 1.20 0.00 0.00 173.24 176.73 2rnz h HIS 15 N 2.17 0.96 -2.04 3.44 3.86 -2.03 -3.44 115.15 118.07 2rnz h HIS 15 Ca -0.16 -0.18 -0.45 0.00 -1.16 0.00 0.00 60.37 58.41 2rnz h HIS 15 Cb 1.19 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.42 2rnz h HIS 15 CO 0.27 0.92 -0.40 -1.64 0.86 0.00 0.00 177.93 177.95 2rnz s MET 16 N -4.82 3.32 -0.02 2.45 -1.94 -1.26 -5.12 119.30 111.91 2rnz s MET 16 Ca -0.10 -0.85 -0.00 0.00 -1.71 0.00 0.00 55.69 53.03 2rnz s MET 16 Cb 0.14 -2.86 0.03 0.00 2.01 0.00 0.00 34.83 34.14 2rnz s MET 16 CO 0.84 0.29 0.03 -1.54 -0.01 0.00 0.00 175.02 174.63 2rnz s SER 17 N -4.05 0.07 0.05 3.03 1.04 -1.26 -5.03 113.70 107.56 2rnz s SER 17 Ca 0.38 0.04 0.12 0.00 0.48 0.00 0.00 55.95 56.97 2rnz s SER 17 Cb -0.09 -0.07 -0.18 0.00 0.10 0.00 0.00 66.02 65.78 2rnz s SER 17 CO 0.30 -0.13 0.95 0.58 0.98 0.00 0.00 173.24 175.91 2rnz h VAL 18 N 6.30 1.06 0.00 5.02 2.07 -2.00 -3.29 116.25 125.42 2rnz h VAL 18 Ca -0.46 -2.77 0.00 0.00 0.82 0.00 0.00 66.70 64.29 2rnz h VAL 18 Cb 1.12 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 2rnz h VAL 18 CO 0.48 0.60 0.00 -0.67 0.02 0.00 0.00 177.57 178.00 2rnz n ASP 19 N -3.13 0.28 -1.97 0.57 2.03 -1.26 -1.77 116.55 111.30 2rnz n ASP 19 Ca -0.09 0.59 -0.05 0.00 0.52 0.00 0.00 54.79 55.76 2rnz n ASP 19 Cb 0.96 -0.64 0.30 0.00 -0.72 0.00 0.00 41.12 41.02 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 -1.83 4.79 -4.88 1.67 2.03 -1.24 -4.94 116.55 112.15 2rnz n ASP 20 Ca 0.02 -3.14 -0.36 0.00 0.52 0.00 0.00 54.79 51.82 2rnz n ASP 20 Cb 0.14 -0.74 -0.06 0.00 -0.72 0.00 0.00 41.12 39.74 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 -2.86 5.40 0.33 5.18 1.01 -0.73 -5.08 121.20 124.46 2rnz s ILE 21 Ca 0.53 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 61.35 2rnz s ILE 21 Cb 0.42 -3.49 0.07 0.00 0.01 0.00 0.00 42.46 39.46 2rnz s ILE 21 CO 0.13 0.50 0.45 2.30 0.00 0.00 0.00 174.94 178.33 2rnz n ILE 22 N 1.57 0.00 -3.83 2.92 -5.35 -1.26 -5.10 119.36 108.31 2rnz n ILE 22 Ca -0.16 -0.60 -0.31 0.00 -0.27 0.00 0.00 62.75 61.42 2rnz n ILE 22 Cb 0.54 -1.33 -0.04 0.00 -1.74 0.00 0.00 39.64 37.06 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 -1.42 5.31 -0.91 7.28 1.01 -1.26 -4.48 121.20 126.74 2rnz s ILE 23 Ca 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 2rnz s ILE 23 Cb -0.01 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.83 2rnz s ILE 23 CO 0.19 0.11 0.77 0.29 0.00 0.00 0.00 174.94 176.30 2rnz n LYS 24 N 0.23 -5.10 -4.50 2.79 5.02 0.95 -5.00 118.16 112.55 2rnz n LYS 24 Ca -0.04 0.62 -0.24 0.00 -2.02 0.00 0.00 58.31 56.63 2rnz n LYS 24 Cb 0.51 -4.99 -0.10 0.00 -0.02 0.00 0.00 35.03 30.43 2rnz n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rnz s GLN 26 N -3.63 4.22 -0.10 0.00 -2.07 -1.26 -0.82 119.66 116.00 2rnz s GLN 26 Ca 0.31 0.49 0.01 0.00 -1.82 0.00 0.00 55.36 54.35 2rnz s GLN 26 Cb 0.02 -3.55 0.02 0.00 -1.09 0.00 0.00 33.01 28.41 2rnz s GLN 26 CO 0.15 -0.13 -0.10 0.00 -1.32 0.00 0.00 175.29 173.89 2rnz s TRP 28 N 1.34 2.53 -0.38 0.00 0.52 -1.26 -1.32 118.94 120.37 2rnz s TRP 28 Ca -0.02 0.49 -0.14 0.00 0.02 0.00 0.00 56.10 56.45 2rnz s TRP 28 Cb -0.14 -3.85 0.01 0.00 -1.15 0.00 0.00 33.47 28.34 2rnz s TRP 28 CO -0.04 -3.34 0.28 0.08 0.02 0.00 0.00 176.95 173.95 2rnz s VAL 29 N 2.71 5.27 -0.57 4.03 1.01 0.86 -3.40 120.40 130.31 2rnz s VAL 29 Ca 0.70 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 62.00 2rnz s VAL 29 Cb -0.36 -3.85 0.10 0.00 0.00 0.00 0.00 36.38 32.27 2rnz s VAL 29 CO 0.30 -0.20 0.66 -1.58 0.00 0.00 0.00 175.10 174.28 2rnz s GLN 30 N 1.70 3.05 0.75 2.72 0.74 -1.25 -1.28 119.66 126.09 2rnz s GLN 30 Ca 0.05 -1.28 -0.12 0.00 0.05 0.00 0.00 55.36 54.07 2rnz s GLN 30 Cb -0.18 -4.24 0.04 0.00 1.10 0.00 0.00 33.01 29.73 2rnz s GLN 30 CO 0.10 -1.45 1.10 0.21 -0.55 0.00 0.00 175.29 174.71 2rnz s LYS 31 N 2.54 2.45 0.12 1.67 2.47 0.68 -4.83 119.74 124.83 2rnz s LYS 31 Ca 0.11 0.49 -0.31 0.00 -1.56 0.00 0.00 55.97 54.70 2rnz s LYS 31 Cb -0.24 -1.97 -0.10 0.00 -1.46 0.00 0.00 37.83 34.06 2rnz s LYS 31 CO 0.07 -1.33 1.58 -0.97 0.16 0.00 0.00 175.35 174.86 2rnz h ASN 32 N -0.87 -1.34 0.00 1.43 -0.73 -1.96 -3.22 115.58 108.88 2rnz h ASN 32 Ca -0.46 0.16 0.00 0.00 1.87 0.00 0.00 56.30 57.87 2rnz h ASN 32 Cb 1.27 0.52 0.00 0.00 0.27 0.00 0.00 38.32 40.37 2rnz h ASN 32 CO 0.62 -0.48 -0.06 0.47 -0.37 0.00 0.00 177.43 177.61 2rnz n ASP 33 N -5.46 2.04 -4.15 1.15 8.00 -1.26 -5.05 116.55 111.83 2rnz n ASP 33 Ca -0.06 -2.91 -0.10 0.00 0.71 0.00 0.00 54.79 52.43 2rnz n ASP 33 Cb 0.38 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 2rnz n ASP 33 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2rnz s GLU 34 N -2.44 0.95 -0.08 -1.24 0.41 -1.22 -5.16 118.70 109.92 2rnz s GLU 34 Ca 0.27 -1.45 -0.03 0.00 -0.41 0.00 0.00 54.97 53.35 2rnz s GLU 34 Cb 0.23 0.25 0.04 0.00 -1.78 0.00 0.00 34.13 32.87 2rnz s GLU 34 CO 0.03 -0.27 0.07 -1.21 -0.49 0.00 0.00 175.26 173.38 2rnz s GLU 35 N -4.05 -0.04 0.22 1.61 8.01 -1.26 -0.23 118.70 122.95 2rnz s GLU 35 Ca 0.25 0.25 0.05 0.00 0.01 0.00 0.00 54.97 55.53 2rnz s GLU 35 Cb 0.07 -0.89 -0.02 0.00 -4.31 0.00 0.00 34.13 28.99 2rnz s GLU 35 CO 0.02 -0.43 0.19 2.89 0.01 0.00 0.00 175.26 177.94 2rnz n ARG 36 N 5.29 0.27 -4.51 1.61 0.00 -0.40 -4.98 116.66 113.94 2rnz n ARG 36 Ca -0.04 -2.18 -0.22 0.00 -0.00 0.00 0.00 57.85 55.41 2rnz n ARG 36 Cb 0.50 1.79 -0.14 0.00 -0.00 0.00 0.00 32.46 34.61 2rnz n ARG 36 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2rnz s LEU 37 N 0.00 2.12 0.03 2.89 2.96 -1.26 -0.10 118.68 125.32 2rnz s LEU 37 Ca 0.26 -0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 53.78 2rnz s LEU 37 Cb 0.01 -0.70 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 2rnz s LEU 37 CO 0.18 0.10 -0.03 0.00 -1.32 0.00 0.00 176.35 175.29 2rnz s ALA 38 N -0.64 0.27 0.30 5.97 0.00 -0.44 -4.79 121.76 122.43 2rnz s ALA 38 Ca 0.04 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.22 2rnz s ALA 38 Cb -0.07 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 2rnz s ALA 38 CO 0.01 -0.24 0.42 -2.00 0.00 0.00 0.00 175.76 173.95 2rnz s GLU 39 N -2.42 3.25 -0.20 0.00 2.12 -0.18 -0.36 118.70 120.91 2rnz s GLU 39 Ca -0.07 -0.91 -0.10 0.00 0.36 0.00 0.00 54.97 54.25 2rnz s GLU 39 Cb -0.03 -2.85 -0.05 0.00 0.26 0.00 0.00 34.13 31.46 2rnz s GLU 39 CO -0.05 0.22 0.15 0.42 -0.54 0.00 0.00 175.26 175.46 2rnz s ILE 40 N -2.09 5.39 -0.13 -3.70 -1.09 -0.00 -0.52 121.20 119.05 2rnz s ILE 40 Ca 0.40 0.22 -0.08 0.00 -2.23 0.00 0.00 60.65 58.97 2rnz s ILE 40 Cb -0.09 -3.49 -0.06 0.00 -1.58 0.00 0.00 42.46 37.24 2rnz s ILE 40 CO 0.30 0.42 -0.19 0.18 -1.23 0.00 0.00 174.94 174.42 2rnz n LEU 41 N 3.65 1.15 -4.24 2.97 4.77 -0.37 -0.03 117.00 124.89 2rnz n LEU 41 Ca -0.15 0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 55.88 2rnz n LEU 41 Cb 0.52 -0.46 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 2rnz n LEU 41 CO 0.37 0.17 -0.26 -0.94 -1.33 0.00 0.00 177.39 175.40 2rnz s SER 42 N -6.28 0.65 -0.00 -1.43 1.04 -1.26 -4.63 113.70 101.79 2rnz s SER 42 Ca -0.20 -1.35 -0.00 0.00 0.48 0.00 0.00 55.95 54.87 2rnz s SER 42 Cb 0.07 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2rnz s SER 42 CO 0.26 -0.77 0.01 -0.63 0.98 0.00 0.00 173.24 173.09 2rnz s ILE 43 N -3.95 -0.00 0.03 -1.02 1.01 -1.26 -0.24 121.20 115.76 2rnz s ILE 43 Ca 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 2rnz s ILE 43 Cb 0.07 -0.02 -0.04 0.00 0.01 0.00 0.00 42.46 42.48 2rnz s ILE 43 CO 0.11 0.00 0.19 0.20 0.00 0.00 0.00 174.94 175.44 2rnz s ASN 44 N 0.05 6.30 -0.00 3.58 0.01 -0.46 -5.00 114.94 119.42 2rnz s ASN 44 Ca -0.00 0.29 0.15 0.00 -0.71 0.00 0.00 52.86 52.58 2rnz s ASN 44 Cb -0.01 -1.95 0.25 0.00 0.41 0.00 0.00 41.25 39.96 2rnz s ASN 44 CO -0.00 0.22 1.10 0.35 -1.51 0.00 0.00 177.10 177.25 2rnz n THR 45 N 0.63 0.02 -0.05 1.60 -2.24 -1.26 -3.49 114.28 109.48 2rnz n THR 45 Ca -0.08 -0.60 -0.10 0.00 -2.27 0.00 0.00 64.05 61.00 2rnz n THR 45 Cb 0.52 0.77 -0.09 0.00 -2.10 0.00 0.00 70.33 69.43 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 0.57 -0.02 -5.31 -0.78 2.43 -1.95 -3.48 114.38 105.85 2rnz h ARG 46 Ca -0.13 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.65 2rnz h ARG 46 Cb 1.68 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 31.06 2rnz h ARG 46 CO 0.06 0.69 -0.74 0.15 -1.51 0.00 0.00 179.97 178.61 2rnz s LYS 47 N -2.23 1.04 0.04 0.20 1.02 -1.26 -5.15 119.74 113.40 2rnz s LYS 47 Ca -0.14 -1.31 0.00 0.00 0.02 0.00 0.00 55.97 54.55 2rnz s LYS 47 Cb -0.02 -0.82 -0.04 0.00 -0.52 0.00 0.00 37.83 36.43 2rnz s LYS 47 CO 0.51 0.14 0.14 0.00 -0.92 0.00 0.00 175.35 175.22 2rnz s ALA 48 N -2.51 3.77 0.93 5.17 0.00 -1.26 -3.87 121.76 124.00 2rnz s ALA 48 Ca 0.11 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 2rnz s ALA 48 Cb -0.03 -1.66 0.15 0.00 0.00 0.00 0.00 23.12 21.58 2rnz s ALA 48 CO 0.03 0.76 1.09 -1.25 0.00 0.00 0.00 175.76 176.39 2rnz s PRO 49 N -2.23 0.96 0.53 0.00 0.04 -1.26 -4.83 135.00 128.21 2rnz s PRO 49 Ca 0.30 0.71 -0.20 0.00 0.04 0.00 0.00 61.00 61.85 2rnz s PRO 49 Cb -0.12 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2rnz s PRO 49 CO 0.22 -2.42 1.14 -1.25 0.04 0.00 0.00 177.00 174.73 2rnz s PRO 50 N -4.94 3.43 0.27 0.56 0.04 -1.25 -4.98 135.00 128.12 2rnz s PRO 50 Ca 0.64 1.64 0.09 0.00 0.04 0.00 0.00 61.00 63.41 2rnz s PRO 50 Cb -0.18 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2rnz s PRO 50 CO 0.57 -0.79 0.04 0.15 0.04 0.00 0.00 177.00 177.00 2rnz s LYS 51 N -3.18 2.40 0.01 4.56 1.02 -1.23 -4.19 119.74 119.14 2rnz s LYS 51 Ca 0.71 -1.37 0.01 0.00 0.02 0.00 0.00 55.97 55.34 2rnz s LYS 51 Cb -0.25 -2.22 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 2rnz s LYS 51 CO 0.28 0.35 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.97 2rnz s PHE 52 N -2.30 0.29 -0.39 3.18 0.40 -0.17 -1.36 117.98 117.64 2rnz s PHE 52 Ca 0.32 -0.29 -0.22 0.00 -0.60 0.00 0.00 56.93 56.13 2rnz s PHE 52 Cb -0.06 -0.19 0.01 0.00 0.51 0.00 0.00 43.02 43.29 2rnz s PHE 52 CO 0.21 -0.08 0.74 -0.47 0.70 0.00 0.00 175.22 176.32 2rnz s TYR 53 N -0.79 3.09 0.06 0.36 6.14 0.67 -1.44 117.35 125.43 2rnz s TYR 53 Ca -0.07 0.39 -0.19 0.00 0.64 0.00 0.00 57.07 57.84 2rnz s TYR 53 Cb -0.06 -3.40 -0.06 0.00 0.42 0.00 0.00 41.96 38.86 2rnz s TYR 53 CO -0.00 -0.77 0.55 0.14 0.64 0.00 0.00 175.55 176.10 2rnz s VAL 54 N 3.05 4.78 0.00 3.14 -7.23 0.93 -1.23 120.40 123.84 2rnz s VAL 54 Ca 0.29 1.17 0.05 0.00 -1.81 0.00 0.00 61.98 61.68 2rnz s VAL 54 Cb -0.13 -3.88 -0.01 0.00 0.56 0.00 0.00 36.38 32.92 2rnz s VAL 54 CO 0.18 0.55 -0.15 -2.28 -0.31 0.00 0.00 175.10 173.09 2rnz s HIS 55 N -1.06 1.35 -0.66 2.82 2.46 0.32 -2.11 115.29 118.41 2rnz s HIS 55 Ca 0.28 -0.28 -0.15 0.00 0.47 0.00 0.00 55.06 55.38 2rnz s HIS 55 Cb -0.19 -0.85 0.17 0.00 -0.13 0.00 0.00 32.58 31.58 2rnz s HIS 55 CO 0.18 -0.00 0.61 -0.47 -2.47 0.00 0.00 174.74 172.59 2rnz s TYR 56 N -0.49 3.46 0.32 3.88 6.14 -1.26 -1.01 117.35 128.39 2rnz s TYR 56 Ca 0.05 -1.58 0.02 0.00 0.64 0.00 0.00 57.07 56.21 2rnz s TYR 56 Cb -0.06 -3.81 0.53 0.00 0.42 0.00 0.00 41.96 39.04 2rnz s TYR 56 CO -0.00 -1.01 1.85 -0.39 0.64 0.00 0.00 175.55 176.64 2rnz h VAL 57 N 5.44 1.21 -1.34 3.14 -1.51 -1.89 -2.84 116.25 118.45 2rnz h VAL 57 Ca -0.13 -0.81 -0.64 0.00 -1.23 0.00 0.00 66.70 63.89 2rnz h VAL 57 Cb 1.08 0.87 -0.24 0.00 -2.13 0.00 0.00 31.29 30.86 2rnz h VAL 57 CO 0.92 0.28 0.81 -3.20 -1.23 0.00 0.00 177.57 175.16 2rnz n ASN 58 N -4.27 7.28 -3.69 4.19 2.85 -1.26 -4.92 115.26 115.43 2rnz n ASN 58 Ca 0.02 -3.62 0.01 0.00 -0.11 0.00 0.00 54.58 50.88 2rnz n ASN 58 Cb 0.24 -1.07 0.01 0.00 1.24 0.00 0.00 39.78 40.21 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 -3.31 0.03 1.33 1.20 5.04 -1.07 -5.17 117.35 115.39 2rnz s TYR 59 Ca 0.55 -0.22 -0.22 0.00 -2.44 0.00 0.00 57.07 54.74 2rnz s TYR 59 Cb 0.43 0.59 0.34 0.00 0.35 0.00 0.00 41.96 43.68 2rnz s TYR 59 CO -0.21 -0.44 0.80 0.09 -1.34 0.00 0.00 175.55 174.45 2rnz n ASN 60 N -1.04 -3.87 -0.01 4.32 4.13 -1.26 -4.86 115.26 112.66 2rnz n ASN 60 Ca 0.01 -0.82 0.05 0.00 1.68 0.00 0.00 54.58 55.50 2rnz n ASN 60 Cb 0.59 -0.90 -0.14 0.00 -1.54 0.00 0.00 39.78 37.79 2rnz n ASN 60 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 2rnz n LYS 61 N -5.42 0.66 0.01 3.52 2.85 -1.26 -4.23 118.16 114.29 2rnz n LYS 61 Ca 0.13 -0.06 0.20 0.00 -1.05 0.00 0.00 58.31 57.52 2rnz n LYS 61 Cb 0.54 -1.59 0.69 0.00 -0.65 0.00 0.00 35.03 34.02 2rnz n LYS 61 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 177.40 177.42 2rnz h ARG 62 N 0.00 0.00 0.00 -1.58 0.11 -1.98 0.24 114.38 111.17 2rnz h ARG 62 Ca -0.15 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.82 2rnz h ARG 62 Cb 1.36 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.43 2rnz h ARG 62 CO 0.01 0.00 -0.54 -0.07 0.10 0.00 0.00 179.97 179.47 2rnz h LEU 63 N 0.00 0.00 -8.50 0.08 4.07 -1.97 -3.44 115.31 105.56 2rnz h LEU 63 Ca 0.24 0.00 -0.59 0.00 0.08 0.00 0.00 57.88 57.61 2rnz h LEU 63 Cb 0.96 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.68 2rnz h LEU 63 CO -0.00 0.54 1.53 -0.67 -1.08 0.00 0.00 178.44 178.75 2rnz n ASP 64 N -3.51 1.96 -3.14 -0.43 2.03 0.85 -4.88 116.55 109.42 2rnz n ASP 64 Ca 0.00 0.15 -0.19 0.00 0.52 0.00 0.00 54.79 55.27 2rnz n ASP 64 Cb 0.63 -1.30 -0.07 0.00 -0.72 0.00 0.00 41.12 39.66 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 8.47 0.42 -4.36 -0.67 0.28 -0.90 -5.01 120.64 118.87 2rnz n GLU 65 Ca 0.43 -3.04 -0.30 0.00 -0.16 0.00 0.00 57.16 54.10 2rnz n GLU 65 Cb 0.28 2.32 -0.11 0.00 1.43 0.00 0.00 31.44 35.36 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 -3.17 2.59 0.33 -1.84 1.48 -1.26 -0.05 118.94 117.02 2rnz s TRP 66 Ca 0.33 -0.23 -0.04 0.00 -1.06 0.00 0.00 56.10 55.09 2rnz s TRP 66 Cb 0.02 -1.39 0.02 0.00 -1.16 0.00 0.00 33.47 30.95 2rnz s TRP 66 CO 0.23 0.37 0.51 0.44 -4.06 0.00 0.00 176.95 174.44 2rnz n ILE 67 N 0.94 0.00 -3.27 0.66 -5.35 -0.52 -4.92 119.36 106.91 2rnz n ILE 67 Ca -0.15 -1.45 -0.10 0.00 -0.27 0.00 0.00 62.75 60.77 2rnz n ILE 67 Cb 0.52 0.98 0.02 0.00 -1.74 0.00 0.00 39.64 39.42 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 -0.52 0.00 0.16 7.28 -2.24 -1.26 -1.00 114.28 116.70 2rnz n THR 68 Ca -0.01 -0.95 0.02 0.00 -2.27 0.00 0.00 64.05 60.84 2rnz n THR 68 Cb 0.54 -0.59 0.21 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.25 1.07 -0.51 4.28 1.03 -1.84 -2.81 112.91 114.37 2rnz h THR 69 Ca -0.14 -1.95 0.15 0.00 -0.01 0.00 0.00 66.41 64.46 2rnz h THR 69 Cb 0.59 2.15 -0.02 0.00 -1.07 0.00 0.00 68.15 69.79 2rnz h THR 69 CO 0.21 0.50 0.43 -0.78 -0.01 0.00 0.00 175.52 175.86 2rnz h ASP 70 N 0.00 0.00 0.00 0.00 3.58 -1.95 -0.07 116.42 117.98 2rnz h ASP 70 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2rnz h ASP 70 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2rnz h ASP 70 CO 0.07 0.00 -1.67 0.54 -2.88 0.00 0.00 179.24 175.29 2rnz n ARG 71 N -4.09 0.63 -3.54 0.28 1.74 -1.17 -4.90 116.66 105.60 2rnz n ARG 71 Ca 0.10 -0.14 -0.39 0.00 -0.77 0.00 0.00 57.85 56.64 2rnz n ARG 71 Cb 0.64 -1.39 -0.11 0.00 -1.02 0.00 0.00 32.46 30.58 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 -3.12 5.29 -0.69 0.55 1.01 -0.04 -3.87 121.20 120.33 2rnz s ILE 72 Ca -0.05 -0.00 -0.22 0.00 0.00 0.00 0.00 60.65 60.38 2rnz s ILE 72 Cb 0.11 -3.64 0.08 0.00 0.01 0.00 0.00 42.46 39.02 2rnz s ILE 72 CO 0.71 0.11 0.98 0.21 0.00 0.00 0.00 174.94 176.95 2rnz s ASN 73 N 1.74 6.22 0.06 3.58 3.84 -1.22 -4.70 114.94 124.46 2rnz s ASN 73 Ca 0.07 -1.10 -0.21 0.00 0.21 0.00 0.00 52.86 51.83 2rnz s ASN 73 Cb -0.17 -2.42 -0.09 0.00 -0.55 0.00 0.00 41.25 38.03 2rnz s ASN 73 CO 0.11 -1.40 1.33 0.25 -2.79 0.00 0.00 177.10 174.59 2rnz h LEU 74 N 11.26 -0.93 0.00 3.21 5.85 -1.88 -3.40 115.31 129.42 2rnz h LEU 74 Ca -0.24 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.57 2rnz h LEU 74 Cb 1.07 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.43 2rnz h LEU 74 CO 1.18 -0.34 0.00 -0.67 -0.34 0.00 0.00 178.44 178.26 2rnz n ASP 75 N -4.23 0.17 -4.28 1.25 -0.08 -1.26 -4.82 116.55 103.30 2rnz n ASP 75 Ca -0.05 0.08 -0.15 0.00 -1.51 0.00 0.00 54.79 53.15 2rnz n ASP 75 Cb 0.25 -0.01 -0.10 0.00 2.34 0.00 0.00 41.12 43.60 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 -1.27 1.31 -1.14 -0.67 -0.14 -1.26 -5.05 119.74 111.51 2rnz s LYS 76 Ca 0.00 -1.69 -0.19 0.00 -1.36 0.00 0.00 55.97 52.73 2rnz s LYS 76 Cb 0.00 -0.17 -0.05 0.00 -1.68 0.00 0.00 37.83 35.93 2rnz s LYS 76 CO 0.00 -0.28 2.00 -0.85 -0.76 0.00 0.00 175.35 175.46 2rnz n GLU 77 N -0.38 2.22 -1.74 1.68 0.28 -1.26 -4.95 120.64 116.49 2rnz n GLU 77 Ca -0.01 -2.41 -0.34 0.00 -0.16 0.00 0.00 57.16 54.24 2rnz n GLU 77 Cb 0.66 -3.25 0.05 0.00 1.43 0.00 0.00 31.44 30.33 2rnz n GLU 77 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2rnz s VAL 78 N 5.21 2.90 -0.35 3.84 1.01 -1.26 -5.03 120.40 126.72 2rnz s VAL 78 Ca 0.55 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.99 2rnz s VAL 78 Cb 0.10 -3.01 0.11 0.00 0.00 0.00 0.00 36.38 33.58 2rnz s VAL 78 CO 0.05 -0.22 0.13 -0.76 0.00 0.00 0.00 175.10 174.29 2rnz s LEU 79 N -4.75 2.64 -0.66 3.92 1.43 -1.26 -5.05 118.68 114.95 2rnz s LEU 79 Ca 0.71 -1.95 0.02 0.00 -1.03 0.00 0.00 54.13 51.87 2rnz s LEU 79 Cb -0.24 -0.99 0.16 0.00 0.03 0.00 0.00 46.19 45.15 2rnz s LEU 79 CO 0.40 -0.37 0.45 -0.72 0.23 0.00 0.00 176.35 176.34 2rnz s TYR 80 N 1.21 3.46 0.42 0.29 -0.85 -1.26 -5.09 117.35 115.52 2rnz s TYR 80 Ca 0.12 -3.11 -0.25 0.00 -0.52 0.00 0.00 57.07 53.32 2rnz s TYR 80 Cb -0.19 -2.94 -0.08 0.00 0.38 0.00 0.00 41.96 39.13 2rnz s TYR 80 CO -0.16 -0.70 1.18 -1.25 -1.52 0.00 0.00 175.55 173.09 2rnz s PRO 81 N -0.76 3.97 0.26 -3.49 0.04 -1.26 -4.82 135.00 128.94 2rnz s PRO 81 Ca 0.21 1.85 -0.06 0.00 0.04 0.00 0.00 61.00 63.04 2rnz s PRO 81 Cb -0.15 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 2rnz s PRO 81 CO -0.08 -0.40 0.37 0.15 0.04 0.00 0.00 177.00 177.09 2rnz s LYS 82 N -2.39 1.53 0.41 4.56 -0.14 -1.26 -5.14 119.74 117.31 2rnz s LYS 82 Ca 0.59 -1.50 0.05 0.00 -1.36 0.00 0.00 55.97 53.74 2rnz s LYS 82 Cb -0.31 0.40 0.00 0.00 -1.68 0.00 0.00 37.83 36.24 2rnz s LYS 82 CO 0.39 -0.60 0.57 -1.17 -0.76 0.00 0.00 175.35 173.78 2rnz s LEU 83 N -3.12 3.74 0.75 3.17 2.96 -1.26 -5.09 118.68 119.83 2rnz s LEU 83 Ca 0.30 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.98 2rnz s LEU 83 Cb 0.02 -2.84 0.04 0.00 0.50 0.00 0.00 46.19 43.91 2rnz s LEU 83 CO 0.13 -0.65 1.10 -0.54 -1.32 0.00 0.00 176.35 175.06 2rnz s LYS 84 N -4.37 2.38 0.30 1.98 3.01 -1.26 -5.07 119.74 116.71 2rnz s LYS 84 Ca 0.49 1.22 0.04 0.00 -1.01 0.00 0.00 55.97 56.71 2rnz s LYS 84 Cb -0.10 -1.91 -0.03 0.00 -1.01 0.00 0.00 37.83 34.79 2rnz s LYS 84 CO 0.34 -1.56 0.28 0.00 0.51 0.00 0.00 175.35 174.93 2rnz s ALA 85 N -2.78 1.50 -0.07 5.17 0.00 -1.26 -5.17 121.76 119.16 2rnz s ALA 85 Ca 0.62 -1.89 0.01 0.00 0.00 0.00 0.00 51.96 50.71 2rnz s ALA 85 Cb -0.18 1.40 -0.03 0.00 0.00 0.00 0.00 23.12 24.31 2rnz s ALA 85 CO 0.53 -0.67 -0.08 0.99 0.00 0.00 0.00 175.76 176.53 2rnz s THR 86 N -3.54 3.64 0.22 0.00 2.01 -1.26 -5.12 115.64 111.59 2rnz s THR 86 Ca 0.38 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.91 2rnz s THR 86 Cb 0.03 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 2rnz s THR 86 CO 0.23 0.60 0.10 0.47 -0.69 0.00 0.00 174.62 175.32 2rnz n ASP 87 N 2.23 0.82 -2.48 3.53 9.92 -1.26 -5.08 116.55 124.23 2rnz n ASP 87 Ca -0.18 -2.22 -0.17 0.00 -0.53 0.00 0.00 54.79 51.69 2rnz n ASP 87 Cb 0.53 0.65 0.02 0.00 -0.64 0.00 0.00 41.12 41.68 2rnz n ASP 87 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2rnz n GLU 88 N -0.49 2.62 0.00 -1.24 0.28 -1.26 -5.36 120.64 115.20 2rnz n GLU 88 Ca -0.02 -3.95 0.00 0.00 -0.16 0.00 0.00 57.16 53.03 2rnz n GLU 88 Cb 0.34 -1.90 0.00 0.00 1.43 0.00 0.00 31.44 31.31 2rnz n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72