#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 5.38 3.52 -5.12 0.00 -1.26 -5.15 105.19 102.56 2rnz n GLY -3 Ca 0.00 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 2rnz n GLY -3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rnz s SER -2 N 1.00 0.65 -0.10 1.61 1.04 -1.26 -5.02 113.70 111.62 2rnz s SER -2 Ca 0.00 0.83 0.03 0.00 0.48 0.00 0.00 55.95 57.29 2rnz s SER -2 Cb 0.00 -1.21 -0.08 0.00 0.10 0.00 0.00 66.02 64.83 2rnz s SER -2 CO 0.00 -4.31 -0.06 -0.24 0.98 0.00 0.00 173.24 169.61 2rnz n SER -1 N -4.92 3.10 0.21 7.02 2.88 -1.26 -4.78 113.62 115.88 2rnz n SER -1 Ca 0.11 -0.04 -0.09 0.00 -1.33 0.00 0.00 58.87 57.52 2rnz n SER -1 Cb 0.59 0.10 -0.04 0.00 -0.75 0.00 0.00 64.21 64.11 2rnz n SER -1 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2rnz h HIS 0 N 0.00 -0.52 -1.64 0.66 -0.00 -2.07 -3.48 115.15 108.11 2rnz h HIS 0 Ca -0.23 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.18 2rnz h HIS 0 Cb 1.41 0.17 -0.26 0.00 -0.00 0.00 0.00 27.41 28.74 2rnz h HIS 0 CO 0.01 -0.32 0.42 -3.38 -0.00 0.00 0.00 177.93 174.65 2rnz s HIS 1 N -3.60 -0.51 0.49 2.45 -3.43 -1.26 -5.15 115.29 104.28 2rnz s HIS 1 Ca -0.08 1.23 -0.23 0.00 -0.80 0.00 0.00 55.06 55.19 2rnz s HIS 1 Cb 0.01 0.36 -0.08 0.00 -1.43 0.00 0.00 32.58 31.44 2rnz s HIS 1 CO 0.25 -0.25 1.18 1.58 -2.00 0.00 0.00 174.74 175.50 2rnz n HIS 2 N 2.35 1.73 -1.83 0.38 -0.00 -1.26 -4.86 115.22 111.74 2rnz n HIS 2 Ca -0.13 0.48 -0.40 0.00 0.46 0.00 0.00 57.72 58.13 2rnz n HIS 2 Cb 0.56 -2.30 0.02 0.00 -0.12 0.00 0.00 29.99 28.15 2rnz n HIS 2 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2rnz s HIS 3 N -1.30 2.49 -0.13 1.57 2.46 -1.26 -4.94 115.29 114.17 2rnz s HIS 3 Ca 0.67 1.29 0.17 0.00 0.47 0.00 0.00 55.06 57.67 2rnz s HIS 3 Cb -0.47 -3.87 -0.24 0.00 -0.13 0.00 0.00 32.58 27.87 2rnz s HIS 3 CO 0.53 -2.82 0.37 0.72 -2.47 0.00 0.00 174.74 171.08 2rnz n HIS 4 N -0.24 0.36 -3.34 3.88 8.25 -1.26 -5.00 115.22 117.86 2rnz n HIS 4 Ca 0.05 0.12 -0.20 0.00 -0.26 0.00 0.00 57.72 57.44 2rnz n HIS 4 Cb 0.42 -0.98 0.06 0.00 1.12 0.00 0.00 29.99 30.62 2rnz n HIS 4 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2rnz n HIS 5 N -2.75 -2.31 -4.08 4.41 8.25 -1.26 -5.01 115.22 112.46 2rnz n HIS 5 Ca -0.22 0.79 -0.12 0.00 -0.26 0.00 0.00 57.72 57.92 2rnz n HIS 5 Cb 0.99 -4.33 -0.11 0.00 1.12 0.00 0.00 29.99 27.67 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 -3.19 0.86 -0.09 0.41 0.01 -1.26 -5.16 113.70 105.28 2rnz s SER 6 Ca 0.46 -0.68 -0.31 0.00 1.31 0.00 0.00 55.95 56.73 2rnz s SER 6 Cb -0.20 0.06 0.09 0.00 0.21 0.00 0.00 66.02 66.18 2rnz s SER 6 CO 0.57 -0.30 0.79 -0.94 0.41 0.00 0.00 173.24 173.77 2rnz s SER 7 N -2.00 -0.55 0.00 2.44 1.04 -1.26 -5.14 113.70 108.23 2rnz s SER 7 Ca -0.04 0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.98 2rnz s SER 7 Cb -0.05 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2rnz s SER 7 CO -0.02 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2rnz n GLY 8 N 0.82 3.57 0.61 7.32 0.00 -1.26 -5.13 105.19 111.12 2rnz n GLY 8 Ca -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2rnz n GLY 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rnz n LEU 9 N 0.00 0.00 -4.74 0.99 4.32 -1.26 -5.04 117.00 111.27 2rnz n LEU 9 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.59 2rnz n LEU 9 Cb 0.00 -0.05 -0.05 0.00 -1.62 0.00 0.00 43.42 41.70 2rnz n LEU 9 CO 0.00 -0.36 0.48 0.54 -1.22 0.00 0.00 177.39 176.83 2rnz s VAL 10 N -0.71 4.80 0.71 4.08 0.11 -1.26 -4.95 120.40 123.18 2rnz s VAL 10 Ca 0.00 1.64 -0.13 0.00 -2.93 0.00 0.00 61.98 60.56 2rnz s VAL 10 Cb 0.00 -4.12 0.03 0.00 -1.53 0.00 0.00 36.38 30.75 2rnz s VAL 10 CO 0.00 0.32 1.10 -2.16 -3.33 0.00 0.00 175.10 171.03 2rnz s PRO 11 N 0.22 2.55 0.05 1.54 0.04 -1.26 -5.04 135.00 133.10 2rnz s PRO 11 Ca 0.40 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 2rnz s PRO 11 Cb -0.20 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2rnz s PRO 11 CO 0.23 -1.43 -0.03 -0.98 0.04 0.00 0.00 177.00 174.83 2rnz s ARG 12 N -4.45 0.60 0.00 4.56 1.70 -1.26 -5.00 118.95 115.10 2rnz s ARG 12 Ca 0.64 -1.20 0.00 0.00 -0.47 0.00 0.00 55.73 54.70 2rnz s ARG 12 Cb -0.19 0.21 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 2rnz s ARG 12 CO 0.48 -0.11 0.00 0.41 -1.08 0.00 0.00 175.30 175.00 2rnz n GLY 13 N 0.15 3.04 0.75 3.88 0.00 -1.26 -4.97 105.19 106.78 2rnz n GLY 13 Ca -0.14 -1.76 0.05 0.00 0.00 0.00 0.00 46.02 44.17 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 1.34 0.06 1.61 7.64 -1.26 -4.77 113.62 118.24 2rnz n SER 14 Ca 0.00 -2.87 -0.18 0.00 1.01 0.00 0.00 58.87 56.84 2rnz n SER 14 Cb 0.00 -0.39 -0.14 0.00 -1.01 0.00 0.00 64.21 62.67 2rnz n SER 14 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2rnz h HIS 15 N 0.64 0.48 -2.36 1.43 3.86 -1.93 -3.47 115.15 113.80 2rnz h HIS 15 Ca -0.07 -0.35 -0.55 0.00 -1.16 0.00 0.00 60.37 58.24 2rnz h HIS 15 Cb 1.33 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 29.70 2rnz h HIS 15 CO 0.33 1.42 -0.61 0.00 0.86 0.00 0.00 177.93 179.94 2rnz s MET 16 N -2.61 2.54 -0.02 2.45 0.23 -1.26 -4.83 119.30 115.79 2rnz s MET 16 Ca -0.10 -1.22 0.00 0.00 -1.03 0.00 0.00 55.69 53.34 2rnz s MET 16 Cb 0.07 -2.35 0.03 0.00 -1.53 0.00 0.00 34.83 31.05 2rnz s MET 16 CO 0.85 0.40 0.02 -1.54 -2.03 0.00 0.00 175.02 172.73 2rnz s SER 17 N -3.55 0.14 0.00 -1.18 1.04 -1.26 -5.01 113.70 103.87 2rnz s SER 17 Ca 0.31 0.03 0.29 0.00 0.48 0.00 0.00 55.95 57.06 2rnz s SER 17 Cb -0.08 -0.10 1.25 0.00 0.10 0.00 0.00 66.02 67.20 2rnz s SER 17 CO 0.21 -0.13 1.91 0.55 0.98 0.00 0.00 173.24 176.77 2rnz n VAL 18 N 4.18 0.00 0.74 5.02 3.14 -1.26 -3.28 118.33 126.88 2rnz n VAL 18 Ca -0.28 -0.01 0.09 0.00 -2.96 0.00 0.00 64.34 61.19 2rnz n VAL 18 Cb 0.50 -0.39 0.43 0.00 -1.06 0.00 0.00 33.84 33.32 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 -1.38 0.00 -2.02 6.55 2.03 -1.26 -2.52 116.55 117.94 2rnz n ASP 19 Ca 0.10 0.33 -0.06 0.00 0.52 0.00 0.00 54.79 55.68 2rnz n ASP 19 Cb 0.30 -0.42 0.31 0.00 -0.72 0.00 0.00 41.12 40.59 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 -1.42 4.90 -3.99 1.67 8.00 -1.20 -4.88 116.55 119.62 2rnz n ASP 20 Ca 0.06 -3.20 -0.25 0.00 0.71 0.00 0.00 54.79 52.11 2rnz n ASP 20 Cb 0.20 -0.75 -0.17 0.00 -0.02 0.00 0.00 41.12 40.38 2rnz n ASP 20 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2rnz s ILE 21 N -2.96 1.08 0.17 0.53 1.01 -1.05 -5.13 121.20 114.84 2rnz s ILE 21 Ca 0.55 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2rnz s ILE 21 Cb 0.44 -1.01 -0.00 0.00 0.01 0.00 0.00 42.46 41.89 2rnz s ILE 21 CO 0.14 0.35 0.02 2.30 0.00 0.00 0.00 174.94 177.74 2rnz n ILE 22 N 4.09 0.00 -3.02 2.92 -5.35 -1.26 -5.08 119.36 111.66 2rnz n ILE 22 Ca -0.21 -0.86 -0.36 0.00 -0.27 0.00 0.00 62.75 61.05 2rnz n ILE 22 Cb 0.51 0.21 -0.06 0.00 -1.74 0.00 0.00 39.64 38.56 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 -1.79 4.49 -1.56 7.28 -1.09 -1.26 -3.77 121.20 123.50 2rnz s ILE 23 Ca 0.02 1.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.84 2rnz s ILE 23 Cb 0.00 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 2rnz s ILE 23 CO 0.02 0.15 0.00 0.29 -1.23 0.00 0.00 174.94 174.16 2rnz n LYS 24 N 0.57 -1.35 -3.62 2.79 5.02 0.85 -4.99 118.16 117.42 2rnz n LYS 24 Ca -0.01 0.90 -0.21 0.00 -2.02 0.00 0.00 58.31 56.97 2rnz n LYS 24 Cb 0.51 -5.32 -0.01 0.00 -0.02 0.00 0.00 35.03 30.19 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 -4.15 4.04 -0.12 0.00 -2.07 -1.26 -0.11 119.66 115.99 2rnz s GLN 26 Ca 0.40 -0.13 0.03 0.00 -1.82 0.00 0.00 55.36 53.84 2rnz s GLN 26 Cb -0.09 -3.60 -0.00 0.00 -1.09 0.00 0.00 33.01 28.23 2rnz s GLN 26 CO 0.31 -0.10 -0.21 0.00 -1.32 0.00 0.00 175.29 173.97 2rnz s TRP 28 N 0.49 2.94 -0.34 0.00 0.52 -1.26 -1.24 118.94 120.05 2rnz s TRP 28 Ca -0.14 0.87 -0.13 0.00 0.02 0.00 0.00 56.10 56.72 2rnz s TRP 28 Cb -0.17 -3.65 -0.01 0.00 -1.15 0.00 0.00 33.47 28.49 2rnz s TRP 28 CO 0.05 -2.36 0.24 0.08 0.02 0.00 0.00 176.95 174.98 2rnz s VAL 29 N 2.13 5.23 -0.57 4.03 1.01 0.87 -4.42 120.40 128.68 2rnz s VAL 29 Ca 0.64 -0.27 -0.24 0.00 0.00 0.00 0.00 61.98 62.11 2rnz s VAL 29 Cb -0.32 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.40 2rnz s VAL 29 CO 0.27 -0.03 0.97 -1.58 0.00 0.00 0.00 175.10 174.73 2rnz s GLN 30 N 1.71 3.31 0.76 2.72 0.74 -1.24 -1.33 119.66 126.32 2rnz s GLN 30 Ca 0.06 -0.31 -0.12 0.00 0.05 0.00 0.00 55.36 55.04 2rnz s GLN 30 Cb -0.17 -4.08 0.05 0.00 1.10 0.00 0.00 33.01 29.90 2rnz s GLN 30 CO 0.10 -1.56 1.11 0.21 -0.55 0.00 0.00 175.29 174.60 2rnz s LYS 31 N 4.07 2.42 0.06 1.67 2.47 -0.48 -4.92 119.74 125.04 2rnz s LYS 31 Ca 0.30 0.49 -0.20 0.00 -1.56 0.00 0.00 55.97 55.00 2rnz s LYS 31 Cb -0.13 -1.97 -0.09 0.00 -1.46 0.00 0.00 37.83 34.19 2rnz s LYS 31 CO 0.18 -1.35 1.32 -0.97 0.16 0.00 0.00 175.35 174.70 2rnz h ASN 32 N -0.88 -0.93 0.00 1.43 -0.73 -2.00 -3.29 115.58 109.18 2rnz h ASN 32 Ca -0.46 0.10 0.00 0.00 1.87 0.00 0.00 56.30 57.81 2rnz h ASN 32 Cb 1.27 0.34 0.00 0.00 0.27 0.00 0.00 38.32 40.20 2rnz h ASN 32 CO 0.62 -0.33 -0.00 -0.67 -0.37 0.00 0.00 177.43 176.68 2rnz n ASP 33 N -4.21 2.19 -2.67 1.15 2.03 -1.26 -5.05 116.55 108.75 2rnz n ASP 33 Ca -0.05 -2.67 -0.15 0.00 0.52 0.00 0.00 54.79 52.44 2rnz n ASP 33 Cb 0.24 -0.27 -0.06 0.00 -0.72 0.00 0.00 41.12 40.31 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 -1.08 0.31 -3.76 -0.67 -0.58 -1.24 -5.17 120.64 108.45 2rnz n GLU 34 Ca 0.10 -2.49 -0.15 0.00 -0.42 0.00 0.00 57.16 54.20 2rnz n GLU 34 Cb 0.50 2.05 -0.16 0.00 -0.57 0.00 0.00 31.44 33.26 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 -3.01 -0.04 0.30 3.49 2.02 -1.26 -1.38 118.70 118.83 2rnz s GLU 35 Ca 0.30 0.21 0.05 0.00 0.02 0.00 0.00 54.97 55.54 2rnz s GLU 35 Cb 0.01 -0.27 -0.03 0.00 0.10 0.00 0.00 34.13 33.94 2rnz s GLU 35 CO 0.21 -0.18 0.22 1.03 0.02 0.00 0.00 175.26 176.56 2rnz s ARG 36 N 1.17 1.63 0.05 1.61 0.52 -0.44 -4.93 118.95 118.55 2rnz s ARG 36 Ca -0.08 -1.93 0.06 0.00 -0.52 0.00 0.00 55.73 53.26 2rnz s ARG 36 Cb -0.13 0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.52 2rnz s ARG 36 CO -0.03 -0.56 -0.17 -1.17 0.02 0.00 0.00 175.30 173.39 2rnz s LEU 37 N -3.34 2.18 0.04 2.53 2.96 -1.26 -0.09 118.68 121.69 2rnz s LEU 37 Ca 0.39 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 53.79 2rnz s LEU 37 Cb 0.04 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.95 2rnz s LEU 37 CO 0.22 0.08 -0.03 0.00 -1.32 0.00 0.00 176.35 175.30 2rnz s ALA 38 N -0.86 0.33 0.12 5.97 0.00 -0.37 -4.84 121.76 122.10 2rnz s ALA 38 Ca 0.04 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2rnz s ALA 38 Cb -0.08 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2rnz s ALA 38 CO 0.02 -0.26 0.26 -2.00 0.00 0.00 0.00 175.76 173.77 2rnz s GLU 39 N -2.70 3.44 -0.20 0.00 2.56 0.49 -0.14 118.70 122.15 2rnz s GLU 39 Ca -0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 54.97 54.29 2rnz s GLU 39 Cb -0.01 -2.99 -0.05 0.00 2.00 0.00 0.00 34.13 33.08 2rnz s GLU 39 CO -0.05 0.55 0.14 0.42 -0.56 0.00 0.00 175.26 175.76 2rnz s ILE 40 N -1.66 5.40 0.00 -3.70 -1.09 0.84 -0.09 121.20 120.91 2rnz s ILE 40 Ca 0.35 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.98 2rnz s ILE 40 Cb -0.12 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 2rnz s ILE 40 CO 0.28 0.43 0.00 0.18 -1.23 0.00 0.00 174.94 174.60 2rnz n LEU 41 N 3.61 0.00 -4.46 2.97 4.77 -0.35 -0.11 117.00 123.43 2rnz n LEU 41 Ca -0.16 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.59 2rnz n LEU 41 Cb 0.52 -0.34 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 2rnz n LEU 41 CO 0.37 -0.46 -0.42 -0.55 -1.33 0.00 0.00 177.39 175.00 2rnz s SER 42 N -3.94 3.25 0.13 -1.43 0.15 -1.26 -4.38 113.70 106.21 2rnz s SER 42 Ca 0.00 -1.11 0.07 0.00 0.70 0.00 0.00 55.95 55.61 2rnz s SER 42 Cb 0.00 -0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 2rnz s SER 42 CO 0.00 -0.16 -0.16 -0.63 1.20 0.00 0.00 173.24 173.49 2rnz s ILE 43 N -2.74 1.52 0.00 6.45 -1.09 -1.26 -0.99 121.20 123.09 2rnz s ILE 43 Ca 0.29 -1.73 0.06 0.00 -2.23 0.00 0.00 60.65 57.05 2rnz s ILE 43 Cb -0.00 -1.60 -0.02 0.00 -1.58 0.00 0.00 42.46 39.26 2rnz s ILE 43 CO 0.13 -0.32 -0.19 0.20 -1.23 0.00 0.00 174.94 173.53 2rnz s ASN 44 N -2.39 2.24 -0.02 3.58 0.01 -1.21 -5.02 114.94 112.12 2rnz s ASN 44 Ca 0.10 -0.39 0.15 0.00 -0.71 0.00 0.00 52.86 52.00 2rnz s ASN 44 Cb -0.06 -0.23 0.26 0.00 0.41 0.00 0.00 41.25 41.63 2rnz s ASN 44 CO 0.04 0.20 1.11 0.35 -1.51 0.00 0.00 177.10 177.29 2rnz n THR 45 N 2.37 0.23 -0.03 1.60 -2.24 -1.26 -3.84 114.28 111.10 2rnz n THR 45 Ca -0.16 -0.82 -0.12 0.00 -2.27 0.00 0.00 64.05 60.68 2rnz n THR 45 Cb 0.54 0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 69.34 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 0.58 -0.04 -5.85 -0.78 2.43 -1.96 -3.47 114.38 105.28 2rnz h ARG 46 Ca -0.12 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.55 2rnz h ARG 46 Cb 1.61 0.01 -0.18 0.00 -0.42 0.00 0.00 29.97 30.99 2rnz h ARG 46 CO 0.05 0.66 -0.78 0.15 -1.51 0.00 0.00 179.97 178.54 2rnz s LYS 47 N -2.78 1.21 0.13 0.20 -0.14 -1.26 -5.15 119.74 111.94 2rnz s LYS 47 Ca -0.15 -1.35 0.05 0.00 -1.36 0.00 0.00 55.97 53.15 2rnz s LYS 47 Cb -0.01 -1.25 -0.04 0.00 -1.68 0.00 0.00 37.83 34.85 2rnz s LYS 47 CO 0.58 0.26 0.10 0.00 -0.76 0.00 0.00 175.35 175.53 2rnz s ALA 48 N -1.97 3.53 0.87 5.17 0.00 -1.26 -4.03 121.76 124.07 2rnz s ALA 48 Ca 0.13 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 2rnz s ALA 48 Cb -0.06 -1.35 0.11 0.00 0.00 0.00 0.00 23.12 21.82 2rnz s ALA 48 CO 0.06 0.59 1.09 -1.25 0.00 0.00 0.00 175.76 176.25 2rnz s PRO 49 N -2.82 1.45 0.52 0.00 0.04 -1.26 -4.91 135.00 128.02 2rnz s PRO 49 Ca 0.30 0.89 -0.20 0.00 0.04 0.00 0.00 61.00 62.02 2rnz s PRO 49 Cb -0.11 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2rnz s PRO 49 CO 0.22 -2.12 1.14 -1.25 0.04 0.00 0.00 177.00 175.03 2rnz s PRO 50 N -4.93 3.46 0.40 0.56 0.04 -1.26 -4.95 135.00 128.33 2rnz s PRO 50 Ca 0.63 1.65 0.04 0.00 0.04 0.00 0.00 61.00 63.36 2rnz s PRO 50 Cb -0.18 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 2rnz s PRO 50 CO 0.57 -0.77 0.05 -1.59 0.04 0.00 0.00 177.00 175.30 2rnz s LYS 51 N -3.13 1.90 -0.00 4.56 0.00 -1.25 -3.84 119.74 117.97 2rnz s LYS 51 Ca 0.70 -2.12 -0.08 0.00 0.00 0.00 0.00 55.97 54.47 2rnz s LYS 51 Cb -0.25 -1.14 0.00 0.00 0.00 0.00 0.00 37.83 36.45 2rnz s LYS 51 CO 0.29 -0.25 0.16 -0.06 0.00 0.00 0.00 175.35 175.49 2rnz s PHE 52 N -3.05 0.01 -0.37 1.78 0.08 0.11 -3.33 117.98 113.20 2rnz s PHE 52 Ca 0.27 -0.06 -0.23 0.00 0.12 0.00 0.00 56.93 57.03 2rnz s PHE 52 Cb 0.06 -0.03 0.01 0.00 -0.57 0.00 0.00 43.02 42.50 2rnz s PHE 52 CO 0.13 -0.29 0.75 -0.47 -0.10 0.00 0.00 175.22 175.24 2rnz s TYR 53 N -1.32 3.10 0.06 0.36 6.14 -0.16 -1.44 117.35 124.10 2rnz s TYR 53 Ca -0.14 0.45 -0.14 0.00 0.64 0.00 0.00 57.07 57.88 2rnz s TYR 53 Cb -0.07 -3.38 -0.06 0.00 0.42 0.00 0.00 41.96 38.87 2rnz s TYR 53 CO 0.02 -0.74 0.46 0.14 0.64 0.00 0.00 175.55 176.07 2rnz s VAL 54 N 3.04 4.96 0.00 3.14 -7.23 0.50 -1.21 120.40 123.60 2rnz s VAL 54 Ca 0.30 0.79 -0.01 0.00 -1.81 0.00 0.00 61.98 61.25 2rnz s VAL 54 Cb -0.13 -3.73 -0.01 0.00 0.56 0.00 0.00 36.38 33.07 2rnz s VAL 54 CO 0.17 0.42 0.01 -2.28 -0.31 0.00 0.00 175.10 173.12 2rnz s HIS 55 N -1.25 0.10 -0.31 2.82 2.46 0.88 -1.83 115.29 118.15 2rnz s HIS 55 Ca 0.30 -0.20 -0.12 0.00 0.47 0.00 0.00 55.06 55.51 2rnz s HIS 55 Cb -0.16 -0.08 -0.03 0.00 -0.13 0.00 0.00 32.58 32.18 2rnz s HIS 55 CO 0.17 -0.11 0.22 0.71 -2.47 0.00 0.00 174.74 173.26 2rnz s TYR 56 N -0.72 3.22 0.60 3.88 1.51 -1.26 -0.38 117.35 124.21 2rnz s TYR 56 Ca -0.08 -0.04 0.30 0.00 -1.01 0.00 0.00 57.07 56.24 2rnz s TYR 56 Cb -0.05 -2.44 1.80 0.00 -0.11 0.00 0.00 41.96 41.16 2rnz s TYR 56 CO -0.00 -0.26 2.20 -0.39 -1.11 0.00 0.00 175.55 175.98 2rnz h VAL 57 N 5.43 0.46 -2.18 0.71 -1.51 -1.97 -2.99 116.25 114.20 2rnz h VAL 57 Ca -0.33 0.00 -0.57 0.00 -1.23 0.00 0.00 66.70 64.57 2rnz h VAL 57 Cb 1.17 0.93 -0.41 0.00 -2.13 0.00 0.00 31.29 30.85 2rnz h VAL 57 CO 0.60 0.00 -0.77 -3.20 -1.23 0.00 0.00 177.57 172.97 2rnz n ASN 58 N -3.76 3.17 -3.59 4.19 2.85 -1.26 -5.06 115.26 111.81 2rnz n ASN 58 Ca -0.01 -3.38 -0.01 0.00 -0.11 0.00 0.00 54.58 51.06 2rnz n ASN 58 Cb 0.18 -0.61 0.00 0.00 1.24 0.00 0.00 39.78 40.59 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 -2.71 -0.01 0.07 1.20 5.04 -1.13 -5.17 117.35 114.64 2rnz s TYR 59 Ca 0.43 -0.25 -0.00 0.00 -2.44 0.00 0.00 57.07 54.80 2rnz s TYR 59 Cb 0.24 0.63 0.01 0.00 0.35 0.00 0.00 41.96 43.19 2rnz s TYR 59 CO -0.09 -0.64 0.10 0.09 -1.34 0.00 0.00 175.55 173.68 2rnz n ASN 60 N -0.86 0.09 0.12 4.32 4.13 -1.26 -4.87 115.26 116.93 2rnz n ASN 60 Ca -0.04 -1.08 0.11 0.00 1.68 0.00 0.00 54.58 55.25 2rnz n ASN 60 Cb 0.60 -0.07 0.47 0.00 -1.54 0.00 0.00 39.78 39.25 2rnz n ASN 60 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2rnz n LYS 61 N -1.19 0.16 0.01 3.52 5.02 -1.26 -3.56 118.16 120.85 2rnz n LYS 61 Ca 0.01 0.44 -0.01 0.00 -2.02 0.00 0.00 58.31 56.74 2rnz n LYS 61 Cb 0.05 -1.83 -0.00 0.00 -0.02 0.00 0.00 35.03 33.23 2rnz n LYS 61 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2rnz h ARG 62 N 0.00 -0.04 0.00 1.97 2.43 -2.02 -2.21 114.38 114.52 2rnz h ARG 62 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2rnz h ARG 62 Cb 0.28 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2rnz h ARG 62 CO 0.00 -0.02 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.30 2rnz h LEU 63 N -0.04 0.00 -8.24 3.80 3.38 -1.96 -3.38 115.31 108.87 2rnz h LEU 63 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 2rnz h LEU 63 Cb 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2rnz h LEU 63 CO -0.01 0.07 0.66 -0.62 0.09 0.00 0.00 178.44 178.63 2rnz s ASP 64 N -6.33 5.01 0.34 -0.43 -1.08 -0.83 -4.72 116.67 108.63 2rnz s ASP 64 Ca -0.04 -0.60 0.08 0.00 -0.52 0.00 0.00 52.55 51.47 2rnz s ASP 64 Cb 0.15 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 39.02 2rnz s ASP 64 CO 0.59 -2.86 0.28 -1.61 0.52 0.00 0.00 175.17 172.09 2rnz s GLU 65 N 7.20 1.78 -0.14 4.34 0.41 -0.76 -4.90 118.70 126.63 2rnz s GLU 65 Ca 0.72 -2.03 -0.05 0.00 -0.41 0.00 0.00 54.97 53.20 2rnz s GLU 65 Cb -0.07 0.32 -0.04 0.00 -1.78 0.00 0.00 34.13 32.56 2rnz s GLU 65 CO 0.00 -0.66 0.05 1.67 -0.49 0.00 0.00 175.26 175.83 2rnz s TRP 66 N -3.42 3.26 0.19 1.61 1.48 -1.26 -0.37 118.94 120.42 2rnz s TRP 66 Ca 0.41 0.15 0.01 0.00 -1.06 0.00 0.00 56.10 55.61 2rnz s TRP 66 Cb 0.02 -1.95 -0.05 0.00 -1.16 0.00 0.00 33.47 30.33 2rnz s TRP 66 CO 0.28 0.33 0.05 0.96 -4.06 0.00 0.00 176.95 174.51 2rnz s ILE 67 N -0.25 0.46 0.13 0.66 -4.36 -0.52 -4.94 121.20 112.38 2rnz s ILE 67 Ca 0.07 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.51 2rnz s ILE 67 Cb -0.12 -2.28 0.02 0.00 1.25 0.00 0.00 42.46 41.33 2rnz s ILE 67 CO 0.02 -0.30 0.18 0.35 0.24 0.00 0.00 174.94 175.43 2rnz n THR 68 N -0.27 0.00 0.33 8.37 -2.24 -1.26 -0.71 114.28 118.50 2rnz n THR 68 Ca -0.04 -0.45 0.14 0.00 -2.27 0.00 0.00 64.05 61.43 2rnz n THR 68 Cb 0.64 -0.88 0.60 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.03 0.00 -0.60 4.28 1.03 -1.79 -2.88 112.91 112.98 2rnz h THR 69 Ca -0.06 -0.25 0.17 0.00 -0.01 0.00 0.00 66.41 66.26 2rnz h THR 69 Cb 0.29 1.03 -0.02 0.00 -1.07 0.00 0.00 68.15 68.37 2rnz h THR 69 CO 0.09 0.00 0.48 -0.78 -0.01 0.00 0.00 175.52 175.30 2rnz h ASP 70 N 0.00 0.00 0.00 0.00 3.58 -1.93 -2.04 116.42 116.03 2rnz h ASP 70 Ca 0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2rnz h ASP 70 Cb 0.33 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2rnz h ASP 70 CO 0.00 0.00 -1.45 0.54 -2.88 0.00 0.00 179.24 175.45 2rnz n ARG 71 N -4.10 1.30 -3.68 0.28 1.74 -1.10 -4.97 116.66 106.13 2rnz n ARG 71 Ca 0.11 -0.05 -0.36 0.00 -0.77 0.00 0.00 57.85 56.79 2rnz n ARG 71 Cb 0.72 -1.20 -0.09 0.00 -1.02 0.00 0.00 32.46 30.86 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 -2.42 5.33 -0.05 0.55 1.01 -0.77 -3.65 121.20 121.20 2rnz s ILE 72 Ca -0.03 0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.82 2rnz s ILE 72 Cb 0.04 -3.48 -0.00 0.00 0.01 0.00 0.00 42.46 39.03 2rnz s ILE 72 CO 0.34 0.36 -0.17 0.21 0.00 0.00 0.00 174.94 175.68 2rnz s ASN 73 N 1.00 2.17 1.11 3.58 2.47 -1.26 -4.49 114.94 119.52 2rnz s ASN 73 Ca 0.07 -0.36 -0.19 0.00 0.42 0.00 0.00 52.86 52.81 2rnz s ASN 73 Cb -0.13 -0.71 0.09 0.00 -1.45 0.00 0.00 41.25 39.05 2rnz s ASN 73 CO 0.04 0.13 -0.02 0.18 -3.72 0.00 0.00 177.10 173.71 2rnz n LEU 74 N 3.29 -2.23 -2.06 3.21 7.99 -1.26 -4.84 117.00 121.09 2rnz n LEU 74 Ca -0.19 -0.10 -0.09 0.00 -0.01 0.00 0.00 56.01 55.62 2rnz n LEU 74 Cb 0.53 -0.96 0.29 0.00 -0.11 0.00 0.00 43.42 43.17 2rnz n LEU 74 CO 0.25 -3.10 1.09 0.47 -1.51 0.00 0.00 177.39 174.59 2rnz n ASP 75 N -1.51 4.71 -4.48 -1.43 8.00 -1.26 -4.94 116.55 115.63 2rnz n ASP 75 Ca 0.01 -3.29 -0.24 0.00 0.71 0.00 0.00 54.79 51.98 2rnz n ASP 75 Cb 0.62 -0.77 -0.10 0.00 -0.02 0.00 0.00 41.12 40.86 2rnz n ASP 75 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2rnz s LYS 76 N -3.05 1.71 0.50 -1.24 1.02 -1.26 -5.12 119.74 112.29 2rnz s LYS 76 Ca 0.56 -1.77 -0.22 0.00 0.02 0.00 0.00 55.97 54.55 2rnz s LYS 76 Cb 0.45 -1.77 -0.06 0.00 -0.52 0.00 0.00 37.83 35.92 2rnz s LYS 76 CO 0.13 0.32 1.24 -1.83 -0.92 0.00 0.00 175.35 174.29 2rnz s GLU 77 N -3.52 3.49 0.12 1.68 1.03 -1.26 -4.98 118.70 115.25 2rnz s GLU 77 Ca 0.30 1.94 -0.04 0.00 0.03 0.00 0.00 54.97 57.20 2rnz s GLU 77 Cb -0.04 -2.32 -0.03 0.00 -0.80 0.00 0.00 34.13 30.94 2rnz s GLU 77 CO 0.15 -0.82 0.12 0.14 -1.33 0.00 0.00 175.26 173.52 2rnz s VAL 78 N -1.46 0.12 -0.51 1.83 -7.23 -1.26 -4.81 120.40 107.09 2rnz s VAL 78 Ca 0.67 -1.64 0.04 0.00 -1.81 0.00 0.00 61.98 59.23 2rnz s VAL 78 Cb -0.33 -1.79 0.13 0.00 0.56 0.00 0.00 36.38 34.96 2rnz s VAL 78 CO 0.39 -0.55 0.26 -0.76 -0.31 0.00 0.00 175.10 174.13 2rnz s LEU 79 N -2.97 4.05 -0.78 1.32 1.43 -1.26 -5.03 118.68 115.43 2rnz s LEU 79 Ca 0.16 -2.95 -0.04 0.00 -1.03 0.00 0.00 54.13 50.27 2rnz s LEU 79 Cb 0.06 -1.54 0.20 0.00 0.03 0.00 0.00 46.19 44.94 2rnz s LEU 79 CO -0.03 -0.24 0.65 -0.31 0.23 0.00 0.00 176.35 176.65 2rnz s TYR 80 N -0.19 3.68 -1.13 0.29 2.02 -1.26 -5.01 117.35 115.75 2rnz s TYR 80 Ca 0.17 -2.76 -0.23 0.00 -0.37 0.00 0.00 57.07 53.88 2rnz s TYR 80 Cb -0.26 -3.31 -0.10 0.00 -0.40 0.00 0.00 41.96 37.89 2rnz s TYR 80 CO 0.00 -0.82 1.93 -0.35 -1.57 0.00 0.00 175.55 174.74 2rnz n PRO 81 N 3.03 1.58 -3.64 -1.71 -0.04 -1.26 -4.82 135.00 128.14 2rnz n PRO 81 Ca 0.15 -2.39 -0.11 0.00 -0.04 0.00 0.00 63.50 61.11 2rnz n PRO 81 Cb 0.39 -3.62 -0.07 0.00 -0.04 0.00 0.00 33.50 30.15 2rnz n PRO 81 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2rnz s LYS 82 N 6.28 0.75 0.69 0.54 2.47 -1.26 -5.04 119.74 124.17 2rnz s LYS 82 Ca 0.67 1.05 -0.09 0.00 -1.56 0.00 0.00 55.97 56.04 2rnz s LYS 82 Cb 0.01 0.28 0.03 0.00 -1.46 0.00 0.00 37.83 36.69 2rnz s LYS 82 CO 0.14 -0.12 1.05 -0.51 0.16 0.00 0.00 175.35 176.06 2rnz s LEU 83 N 0.89 2.91 -0.05 5.43 1.43 -1.26 -5.09 118.68 122.94 2rnz s LEU 83 Ca -0.04 0.86 0.03 0.00 -1.03 0.00 0.00 54.13 53.95 2rnz s LEU 83 Cb -0.05 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.58 2rnz s LEU 83 CO -0.07 -1.40 -0.13 -0.75 0.23 0.00 0.00 176.35 174.23 2rnz s LYS 84 N -5.28 1.50 0.86 1.70 2.47 -1.26 -5.13 119.74 114.59 2rnz s LYS 84 Ca 0.58 -0.44 -0.11 0.00 -1.56 0.00 0.00 55.97 54.44 2rnz s LYS 84 Cb -0.11 -1.30 0.15 0.00 -1.46 0.00 0.00 37.83 35.12 2rnz s LYS 84 CO 0.48 0.12 1.19 0.00 0.16 0.00 0.00 175.35 177.31 2rnz s ALA 85 N 0.33 2.74 -0.02 3.13 0.00 -1.26 -5.11 121.76 121.56 2rnz s ALA 85 Ca -0.08 -1.25 -0.08 0.00 0.00 0.00 0.00 51.96 50.56 2rnz s ALA 85 Cb -0.12 -2.59 0.01 0.00 0.00 0.00 0.00 23.12 20.42 2rnz s ALA 85 CO 0.02 -2.00 0.17 0.99 0.00 0.00 0.00 175.76 174.94 2rnz s THR 86 N -3.61 0.05 -0.04 0.00 2.01 -1.26 -5.16 115.64 107.64 2rnz s THR 86 Ca 0.69 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 62.25 2rnz s THR 86 Cb -0.06 -0.39 0.03 0.00 0.01 0.00 0.00 72.50 72.09 2rnz s THR 86 CO 0.50 -0.24 0.08 -0.62 -0.69 0.00 0.00 174.62 173.65 2rnz s ASP 87 N -0.85 -0.02 -0.11 3.53 2.15 -1.26 -5.15 116.67 114.95 2rnz s ASP 87 Ca -0.09 0.15 -0.25 0.00 0.43 0.00 0.00 52.55 52.79 2rnz s ASP 87 Cb -0.05 0.07 0.06 0.00 -0.30 0.00 0.00 42.92 42.69 2rnz s ASP 87 CO 0.01 -0.11 0.59 -1.83 -0.17 0.00 0.00 175.17 173.67 2rnz s GLU 88 N 0.87 0.86 0.00 4.34 1.03 -1.26 -5.29 118.70 119.26 2rnz s GLU 88 Ca -0.07 0.42 0.09 0.00 0.03 0.00 0.00 54.97 55.44 2rnz s GLU 88 Cb -0.10 0.41 0.07 0.00 -0.80 0.00 0.00 34.13 33.72 2rnz s GLU 88 CO -0.03 -0.21 0.80 -0.40 -1.33 0.00 0.00 175.26 174.08