#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 2.41 3.03 3.03 0.00 -1.26 -5.05 105.19 107.35 2rnz n GLY -3 Ca 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.74 0.11 0.14 1.61 1.04 -1.26 -5.16 113.70 106.44 2rnz s SER -2 Ca 0.30 0.57 0.03 0.00 0.48 0.00 0.00 55.95 57.34 2rnz s SER -2 Cb 0.34 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 67.01 2rnz s SER -2 CO -0.03 -0.21 0.21 -0.44 0.98 0.00 0.00 173.24 173.75 2rnz s SER -1 N 1.96 6.00 -0.60 7.02 0.01 -1.26 -5.08 113.70 121.75 2rnz s SER -1 Ca -0.03 0.06 -0.09 0.00 1.31 0.00 0.00 55.95 57.21 2rnz s SER -1 Cb -0.11 -1.72 0.15 0.00 0.21 0.00 0.00 66.02 64.55 2rnz s SER -1 CO -0.09 0.08 0.48 -1.00 0.41 0.00 0.00 173.24 173.12 2rnz s HIS 0 N -1.69 3.50 -0.11 2.43 4.02 -1.26 -5.03 115.29 117.15 2rnz s HIS 0 Ca 0.33 -2.12 -0.26 0.00 1.02 0.00 0.00 55.06 54.03 2rnz s HIS 0 Cb -0.11 -3.50 0.06 0.00 -1.02 0.00 0.00 32.58 28.01 2rnz s HIS 0 CO 0.26 -0.95 0.61 -1.01 1.02 0.00 0.00 174.74 174.67 2rnz s HIS 1 N 0.69 -0.60 -0.29 1.40 0.09 -1.26 -5.16 115.29 110.15 2rnz s HIS 1 Ca 0.12 1.20 -0.16 0.00 -0.00 0.00 0.00 55.06 56.21 2rnz s HIS 1 Cb -0.21 0.31 0.17 0.00 -0.00 0.00 0.00 32.58 32.85 2rnz s HIS 1 CO -0.03 -0.49 1.10 -3.38 -0.00 0.00 0.00 174.74 171.94 2rnz s HIS 2 N -0.71 -0.37 0.03 1.40 -3.43 -1.26 -5.18 115.29 105.78 2rnz s HIS 2 Ca -0.08 0.71 -0.01 0.00 -0.80 0.00 0.00 55.06 54.88 2rnz s HIS 2 Cb -0.02 0.22 -0.03 0.00 -1.43 0.00 0.00 32.58 31.32 2rnz s HIS 2 CO 0.06 -0.18 -0.01 -1.01 -2.00 0.00 0.00 174.74 171.60 2rnz s HIS 3 N 1.43 0.34 -0.29 0.38 4.02 -1.26 -5.16 115.29 114.75 2rnz s HIS 3 Ca -0.07 -0.70 -0.18 0.00 1.02 0.00 0.00 55.06 55.12 2rnz s HIS 3 Cb -0.03 -0.25 0.17 0.00 -1.02 0.00 0.00 32.58 31.45 2rnz s HIS 3 CO -0.13 -0.27 1.13 -1.58 1.02 0.00 0.00 174.74 174.90 2rnz s HIS 4 N -2.41 -0.33 0.41 1.40 2.46 -1.26 -5.19 115.29 110.38 2rnz s HIS 4 Ca -0.07 0.70 0.04 0.00 0.47 0.00 0.00 55.06 56.19 2rnz s HIS 4 Cb -0.03 0.27 -0.02 0.00 -0.13 0.00 0.00 32.58 32.67 2rnz s HIS 4 CO -0.04 -0.16 0.12 -3.38 -2.47 0.00 0.00 174.74 168.80 2rnz s HIS 5 N 0.93 1.80 0.31 3.88 -0.00 -1.26 -5.18 115.29 115.77 2rnz s HIS 5 Ca -0.05 -1.25 0.02 0.00 -0.00 0.00 0.00 55.06 53.78 2rnz s HIS 5 Cb -0.04 -1.20 -0.02 0.00 -0.00 0.00 0.00 32.58 31.33 2rnz s HIS 5 CO -0.12 -0.25 0.33 -1.12 -0.00 0.00 0.00 174.74 173.58 2rnz s SER 6 N -3.63 1.06 1.26 7.38 0.01 -1.26 -5.17 113.70 113.35 2rnz s SER 6 Ca 0.23 -1.56 -0.16 0.00 1.31 0.00 0.00 55.95 55.77 2rnz s SER 6 Cb 0.03 0.56 0.24 0.00 0.21 0.00 0.00 66.02 67.06 2rnz s SER 6 CO 0.14 -1.10 0.70 -1.54 0.41 0.00 0.00 173.24 171.85 2rnz n SER 7 N -1.21 -2.60 0.00 2.44 3.41 -1.26 -4.97 113.62 109.43 2rnz n SER 7 Ca 0.04 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.84 2rnz n SER 7 Cb 0.63 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 2rnz n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rnz n GLY 8 N -3.34 1.10 2.76 5.00 0.00 -1.26 -4.95 105.19 104.50 2rnz n GLY 8 Ca 0.10 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 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 0.00 2.80 0.04 0.99 2.01 -1.26 -5.10 118.68 118.15 2rnz s LEU 9 Ca 0.00 -2.24 -0.03 0.00 0.01 0.00 0.00 54.13 51.86 2rnz s LEU 9 Cb 0.00 -1.06 -0.02 0.00 0.01 0.00 0.00 46.19 45.12 2rnz s LEU 9 CO 0.00 -0.33 0.03 0.68 1.01 0.00 0.00 176.35 177.74 2rnz s VAL 10 N 0.83 0.16 0.88 -1.59 -7.23 -1.26 -4.67 120.40 107.52 2rnz s VAL 10 Ca 0.14 -1.32 -0.11 0.00 -1.81 0.00 0.00 61.98 58.87 2rnz s VAL 10 Cb -0.21 -1.04 0.12 0.00 0.56 0.00 0.00 36.38 35.81 2rnz s VAL 10 CO -0.09 -0.73 1.09 -2.16 -0.31 0.00 0.00 175.10 172.90 2rnz s PRO 11 N -2.96 1.40 0.46 4.82 0.04 -1.26 -5.08 135.00 132.42 2rnz s PRO 11 Ca -0.02 0.87 0.03 0.00 0.04 0.00 0.00 61.00 61.92 2rnz s PRO 11 Cb 0.01 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2rnz s PRO 11 CO -0.06 -2.15 0.08 0.50 0.04 0.00 0.00 177.00 175.40 2rnz s ARG 12 N -4.93 2.07 0.00 4.56 3.52 -1.26 -5.00 118.95 117.91 2rnz s ARG 12 Ca 0.63 -2.30 0.00 0.00 -0.13 0.00 0.00 55.73 53.93 2rnz s ARG 12 Cb -0.18 -1.00 0.00 0.00 -1.56 0.00 0.00 34.95 32.21 2rnz s ARG 12 CO 0.57 -0.45 0.00 0.41 -0.81 0.00 0.00 175.30 175.02 2rnz n GLY 13 N -1.09 1.38 2.41 8.12 0.00 -1.26 -4.95 105.19 109.80 2rnz n GLY 13 Ca -0.12 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.12 -0.04 1.61 2.88 -1.26 -4.84 113.62 106.85 2rnz n SER 14 Ca 0.00 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2rnz n SER 14 Cb 0.00 -4.16 0.00 0.00 -0.75 0.00 0.00 64.21 59.30 2rnz n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2rnz n HIS 15 N -4.06 0.00 -4.06 0.66 1.44 -1.26 -5.09 115.22 102.84 2rnz n HIS 15 Ca -0.19 -0.08 -0.07 0.00 -2.01 0.00 0.00 57.72 55.37 2rnz n HIS 15 Cb 0.65 -0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.64 2rnz n HIS 15 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 2rnz s MET 16 N -0.17 0.56 -0.02 -1.40 -1.94 -1.26 -4.52 119.30 110.55 2rnz s MET 16 Ca 0.00 -1.11 -0.00 0.00 -1.71 0.00 0.00 55.69 52.88 2rnz s MET 16 Cb 0.00 0.20 0.03 0.00 2.01 0.00 0.00 34.83 37.07 2rnz s MET 16 CO 0.00 -0.10 0.03 -1.12 -0.01 0.00 0.00 175.02 173.82 2rnz s SER 17 N -2.66 0.10 0.02 3.03 0.01 -1.26 -5.03 113.70 107.91 2rnz s SER 17 Ca 0.03 0.05 0.11 0.00 1.31 0.00 0.00 55.95 57.45 2rnz s SER 17 Cb 0.05 -0.06 -0.21 0.00 0.21 0.00 0.00 66.02 66.00 2rnz s SER 17 CO -0.08 -0.13 0.90 0.58 0.41 0.00 0.00 173.24 174.92 2rnz h VAL 18 N 6.30 1.15 0.00 3.43 2.07 -2.01 -3.29 116.25 123.89 2rnz h VAL 18 Ca -0.45 -2.93 0.00 0.00 0.82 0.00 0.00 66.70 64.14 2rnz h VAL 18 Cb 1.12 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 2rnz h VAL 18 CO 0.47 0.65 0.00 -0.67 0.02 0.00 0.00 177.57 178.04 2rnz n ASP 19 N -3.15 0.31 -1.98 0.57 2.03 -1.26 -1.72 116.55 111.34 2rnz n ASP 19 Ca -0.10 0.60 -0.06 0.00 0.52 0.00 0.00 54.79 55.74 2rnz n ASP 19 Cb 1.00 -0.65 0.29 0.00 -0.72 0.00 0.00 41.12 41.04 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 -1.86 4.75 -4.45 1.67 2.03 -1.24 -4.90 116.55 112.54 2rnz n ASP 20 Ca 0.02 -3.17 -0.34 0.00 0.52 0.00 0.00 54.79 51.81 2rnz n ASP 20 Cb 0.13 -0.74 -0.13 0.00 -0.72 0.00 0.00 41.12 39.66 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 -2.88 3.76 0.22 5.18 1.01 -0.70 -5.07 121.20 122.72 2rnz s ILE 21 Ca 0.53 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.82 2rnz s ILE 21 Cb 0.42 -2.66 0.03 0.00 0.01 0.00 0.00 42.46 40.26 2rnz s ILE 21 CO 0.13 0.47 0.28 2.30 0.00 0.00 0.00 174.94 178.12 2rnz n ILE 22 N 3.86 0.00 -3.77 2.92 -5.35 -1.26 -5.11 119.36 110.65 2rnz n ILE 22 Ca -0.17 -0.76 -0.30 0.00 -0.27 0.00 0.00 62.75 61.24 2rnz n ILE 22 Cb 0.52 -0.71 -0.04 0.00 -1.74 0.00 0.00 39.64 37.67 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 -0.52 5.25 -1.45 7.28 -1.09 -1.26 -4.30 121.20 125.11 2rnz s ILE 23 Ca 0.21 -0.22 -0.01 0.00 -2.23 0.00 0.00 60.65 58.40 2rnz s ILE 23 Cb -0.02 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 2rnz s ILE 23 CO 0.13 0.02 0.09 0.29 -1.23 0.00 0.00 174.94 174.24 2rnz n LYS 24 N -0.04 -1.86 -3.91 2.79 5.02 0.84 -5.00 118.16 115.99 2rnz n LYS 24 Ca -0.04 0.83 -0.23 0.00 -2.02 0.00 0.00 58.31 56.85 2rnz n LYS 24 Cb 0.52 -5.31 -0.02 0.00 -0.02 0.00 0.00 35.03 30.20 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 -3.82 4.22 -0.03 0.00 -2.07 -1.26 -0.13 119.66 116.57 2rnz s GLN 26 Ca 0.35 0.56 -0.01 0.00 -1.82 0.00 0.00 55.36 54.44 2rnz s GLN 26 Cb -0.10 -3.33 0.03 0.00 -1.09 0.00 0.00 33.01 28.52 2rnz s GLN 26 CO 0.29 0.40 0.04 0.00 -1.32 0.00 0.00 175.29 174.70 2rnz s TRP 28 N 1.46 3.53 -0.38 0.00 0.52 -1.26 -1.16 118.94 121.65 2rnz s TRP 28 Ca -0.04 1.51 -0.14 0.00 0.02 0.00 0.00 56.10 57.45 2rnz s TRP 28 Cb -0.13 -3.33 0.00 0.00 -1.15 0.00 0.00 33.47 28.86 2rnz s TRP 28 CO -0.03 -0.85 0.27 0.08 0.02 0.00 0.00 176.95 176.44 2rnz s VAL 29 N -0.01 5.27 -0.49 4.03 1.01 0.80 -3.83 120.40 127.19 2rnz s VAL 29 Ca 0.51 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.85 2rnz s VAL 29 Cb -0.30 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.29 2rnz s VAL 29 CO 0.35 -0.16 0.72 -1.58 0.00 0.00 0.00 175.10 174.43 2rnz s GLN 30 N 1.71 3.25 0.61 2.72 0.74 -1.26 -1.24 119.66 126.19 2rnz s GLN 30 Ca 0.06 -0.49 -0.07 0.00 0.05 0.00 0.00 55.36 54.91 2rnz s GLN 30 Cb -0.18 -4.02 0.01 0.00 1.10 0.00 0.00 33.01 29.92 2rnz s GLN 30 CO 0.10 -1.20 0.93 0.15 -0.55 0.00 0.00 175.29 174.72 2rnz s LYS 31 N 3.07 2.87 0.15 1.67 -0.14 -0.78 -4.88 119.74 121.71 2rnz s LYS 31 Ca 0.23 0.03 -0.20 0.00 -1.36 0.00 0.00 55.97 54.66 2rnz s LYS 31 Cb -0.15 -2.24 0.05 0.00 -1.68 0.00 0.00 37.83 33.81 2rnz s LYS 31 CO 0.17 -0.77 1.65 -0.97 -0.76 0.00 0.00 175.35 174.67 2rnz h ASN 32 N -0.25 -0.61 0.00 2.83 -0.73 -1.98 -3.26 115.58 111.58 2rnz h ASN 32 Ca -0.45 0.13 -0.05 0.00 1.87 0.00 0.00 56.30 57.79 2rnz h ASN 32 Cb 1.26 0.31 -0.12 0.00 0.27 0.00 0.00 38.32 40.04 2rnz h ASN 32 CO 0.61 -0.22 -0.58 -0.90 -0.37 0.00 0.00 177.43 175.97 2rnz n ASP 33 N -5.35 0.96 -3.67 1.15 5.75 -1.26 -5.08 116.55 109.05 2rnz n ASP 33 Ca 0.00 -2.46 -0.17 0.00 -0.01 0.00 0.00 54.79 52.15 2rnz n ASP 33 Cb 0.26 -0.32 -0.09 0.00 -1.03 0.00 0.00 41.12 39.94 2rnz n ASP 33 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2rnz s GLU 34 N -0.96 1.55 -0.08 0.11 0.41 -1.23 -5.16 118.70 113.34 2rnz s GLU 34 Ca 0.21 -1.87 -0.03 0.00 -0.41 0.00 0.00 54.97 52.87 2rnz s GLU 34 Cb 0.22 0.31 0.04 0.00 -1.78 0.00 0.00 34.13 32.91 2rnz s GLU 34 CO -0.06 -0.55 0.07 -1.21 -0.49 0.00 0.00 175.26 173.02 2rnz s GLU 35 N -3.71 -0.04 0.39 1.61 2.02 -1.26 -1.86 118.70 115.85 2rnz s GLU 35 Ca 0.40 0.25 0.04 0.00 0.02 0.00 0.00 54.97 55.68 2rnz s GLU 35 Cb 0.04 -0.89 -0.03 0.00 0.10 0.00 0.00 34.13 33.36 2rnz s GLU 35 CO 0.22 -0.43 0.13 1.03 0.02 0.00 0.00 175.26 176.23 2rnz s ARG 36 N 2.16 1.87 -0.01 1.61 3.00 -0.37 -4.99 118.95 122.21 2rnz s ARG 36 Ca 0.04 -2.12 0.00 0.00 0.00 0.00 0.00 55.73 53.65 2rnz s ARG 36 Cb -0.13 -0.57 0.02 0.00 0.00 0.00 0.00 34.95 34.27 2rnz s ARG 36 CO -0.05 -0.45 0.02 -1.17 0.00 0.00 0.00 175.30 173.65 2rnz s LEU 37 N -3.57 1.43 0.30 2.53 2.96 -1.26 -0.14 118.68 120.93 2rnz s LEU 37 Ca 0.26 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.23 2rnz s LEU 37 Cb 0.03 -0.04 -0.04 0.00 0.50 0.00 0.00 46.19 46.64 2rnz s LEU 37 CO 0.15 -0.08 0.16 0.00 -1.32 0.00 0.00 176.35 175.26 2rnz s ALA 38 N 0.66 1.89 0.30 5.97 0.00 -0.31 -4.78 121.76 125.48 2rnz s ALA 38 Ca -0.05 -1.77 0.10 0.00 0.00 0.00 0.00 51.96 50.24 2rnz s ALA 38 Cb -0.08 1.17 -0.05 0.00 0.00 0.00 0.00 23.12 24.16 2rnz s ALA 38 CO -0.02 -0.52 -0.09 -2.00 0.00 0.00 0.00 175.76 173.14 2rnz s GLU 39 N -3.84 1.95 -0.28 0.00 2.12 -0.33 -0.61 118.70 117.71 2rnz s GLU 39 Ca 0.36 -1.68 -0.11 0.00 0.36 0.00 0.00 54.97 53.90 2rnz s GLU 39 Cb 0.05 -1.91 -0.05 0.00 0.26 0.00 0.00 34.13 32.48 2rnz s GLU 39 CO 0.17 0.28 0.20 0.42 -0.54 0.00 0.00 175.26 175.79 2rnz s ILE 40 N -2.47 5.30 -0.01 -3.70 -1.09 0.81 -0.33 121.20 119.71 2rnz s ILE 40 Ca 0.32 0.19 -0.01 0.00 -2.23 0.00 0.00 60.65 58.92 2rnz s ILE 40 Cb -0.04 -3.54 -0.00 0.00 -1.58 0.00 0.00 42.46 37.30 2rnz s ILE 40 CO 0.17 0.25 -0.03 0.18 -1.23 0.00 0.00 174.94 174.29 2rnz n LEU 41 N 5.04 0.15 -4.43 2.97 4.77 -0.54 -0.12 117.00 124.85 2rnz n LEU 41 Ca -0.14 0.03 -0.22 0.00 -0.03 0.00 0.00 56.01 55.65 2rnz n LEU 41 Cb 0.52 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 2rnz n LEU 41 CO 0.33 -0.48 -0.45 -0.55 -1.33 0.00 0.00 177.39 174.91 2rnz s SER 42 N -4.20 3.18 0.12 -1.43 0.15 -1.26 -4.45 113.70 105.82 2rnz s SER 42 Ca -0.02 -1.06 0.07 0.00 0.70 0.00 0.00 55.95 55.64 2rnz s SER 42 Cb 0.00 -0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.04 2rnz s SER 42 CO 0.03 -0.09 -0.17 -0.63 1.20 0.00 0.00 173.24 173.59 2rnz s ILE 43 N -2.72 1.51 -0.06 6.45 -1.09 -1.26 -0.06 121.20 123.97 2rnz s ILE 43 Ca 0.28 -1.66 0.01 0.00 -2.23 0.00 0.00 60.65 57.04 2rnz s ILE 43 Cb -0.02 -1.54 0.02 0.00 -1.58 0.00 0.00 42.46 39.34 2rnz s ILE 43 CO 0.12 -0.27 -0.05 0.20 -1.23 0.00 0.00 174.94 173.71 2rnz s ASN 44 N -2.26 1.22 -0.42 3.58 0.01 -0.17 -4.97 114.94 111.93 2rnz s ASN 44 Ca 0.08 -0.15 0.05 0.00 -0.71 0.00 0.00 52.86 52.13 2rnz s ASN 44 Cb -0.07 -0.51 0.44 0.00 0.41 0.00 0.00 41.25 41.51 2rnz s ASN 44 CO 0.04 -0.07 1.31 0.35 -1.51 0.00 0.00 177.10 177.22 2rnz n THR 45 N 4.28 2.67 -0.50 1.60 -2.24 -1.26 -0.10 114.28 118.73 2rnz n THR 45 Ca -0.21 -4.33 0.10 0.00 -2.27 0.00 0.00 64.05 57.34 2rnz n THR 45 Cb 0.51 -1.19 0.31 0.00 -2.10 0.00 0.00 70.33 67.86 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 -0.64 3.24 -3.94 -0.78 3.00 -1.26 -4.98 116.66 111.31 2rnz n ARG 46 Ca 0.45 -2.70 -0.11 0.00 -0.00 0.00 0.00 57.85 55.49 2rnz n ARG 46 Cb 0.78 -1.70 -0.01 0.00 0.00 0.00 0.00 32.46 31.53 2rnz n ARG 46 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2rnz s LYS 47 N -1.49 2.02 -0.10 -0.14 1.02 -1.26 -5.09 119.74 114.69 2rnz s LYS 47 Ca 0.46 -1.51 -0.03 0.00 0.02 0.00 0.00 55.97 54.91 2rnz s LYS 47 Cb 0.28 0.54 0.04 0.00 -0.52 0.00 0.00 37.83 38.17 2rnz s LYS 47 CO 0.26 -0.90 0.07 0.00 -0.92 0.00 0.00 175.35 173.86 2rnz s ALA 48 N -2.87 0.33 0.96 5.17 0.00 -1.26 -2.76 121.76 121.32 2rnz s ALA 48 Ca 0.21 -0.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 2rnz s ALA 48 Cb -0.03 -0.82 0.17 0.00 0.00 0.00 0.00 23.12 22.43 2rnz s ALA 48 CO 0.14 -0.82 1.09 -1.25 0.00 0.00 0.00 175.76 174.92 2rnz s PRO 49 N 2.15 0.73 0.81 0.00 0.04 -1.26 -4.78 135.00 132.70 2rnz s PRO 49 Ca 0.04 0.63 -0.11 0.00 0.04 0.00 0.00 61.00 61.60 2rnz s PRO 49 Cb -0.14 -1.76 0.08 0.00 0.04 0.00 0.00 34.50 32.72 2rnz s PRO 49 CO -0.06 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.27 2rnz s PRO 50 N -4.95 1.95 0.32 0.56 0.04 -1.11 -4.92 135.00 126.89 2rnz s PRO 50 Ca 0.65 1.06 0.06 0.00 0.04 0.00 0.00 61.00 62.81 2rnz s PRO 50 Cb -0.18 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 2rnz s PRO 50 CO 0.57 -1.83 0.46 0.15 0.04 0.00 0.00 177.00 176.39 2rnz s LYS 51 N -4.91 3.16 0.05 4.56 1.02 0.86 -4.09 119.74 120.39 2rnz s LYS 51 Ca 0.62 -0.96 -0.07 0.00 0.02 0.00 0.00 55.97 55.57 2rnz s LYS 51 Cb -0.17 -2.82 -0.00 0.00 -0.52 0.00 0.00 37.83 34.31 2rnz s LYS 51 CO 0.56 0.11 0.15 -0.06 -0.92 0.00 0.00 175.35 175.19 2rnz s PHE 52 N -2.16 0.15 -0.34 3.18 0.08 0.68 -1.00 117.98 118.58 2rnz s PHE 52 Ca 0.44 -0.45 -0.11 0.00 0.12 0.00 0.00 56.93 56.92 2rnz s PHE 52 Cb -0.09 -0.09 0.00 0.00 -0.57 0.00 0.00 43.02 42.26 2rnz s PHE 52 CO 0.31 -0.43 0.19 -0.47 -0.10 0.00 0.00 175.22 174.72 2rnz s TYR 53 N -2.91 3.20 -0.08 0.36 6.14 0.91 -0.18 117.35 124.80 2rnz s TYR 53 Ca -0.02 -0.60 -0.13 0.00 0.64 0.00 0.00 57.07 56.95 2rnz s TYR 53 Cb 0.01 -2.41 -0.05 0.00 0.42 0.00 0.00 41.96 39.93 2rnz s TYR 53 CO -0.06 -0.49 0.32 0.14 0.64 0.00 0.00 175.55 176.10 2rnz s VAL 54 N 1.62 5.23 0.26 3.14 -7.23 0.85 -1.47 120.40 122.80 2rnz s VAL 54 Ca 0.04 0.62 0.11 0.00 -1.81 0.00 0.00 61.98 60.95 2rnz s VAL 54 Cb -0.18 -3.63 -0.05 0.00 0.56 0.00 0.00 36.38 33.09 2rnz s VAL 54 CO 0.07 0.51 -0.16 -2.28 -0.31 0.00 0.00 175.10 172.93 2rnz s HIS 55 N -0.45 2.39 0.05 2.82 2.46 0.55 -2.30 115.29 120.82 2rnz s HIS 55 Ca 0.20 -0.30 0.01 0.00 0.47 0.00 0.00 55.06 55.43 2rnz s HIS 55 Cb -0.14 -1.06 0.01 0.00 -0.13 0.00 0.00 32.58 31.25 2rnz s HIS 55 CO 0.08 0.67 0.07 2.48 -2.47 0.00 0.00 174.74 175.57 2rnz n TYR 56 N -0.56 -2.94 -3.33 3.88 4.11 -1.26 -1.19 117.16 115.87 2rnz n TYR 56 Ca -0.06 -0.19 -0.10 0.00 -0.00 0.00 0.00 57.90 57.55 2rnz n TYR 56 Cb 0.59 -0.05 -0.07 0.00 -0.00 0.00 0.00 39.34 39.81 2rnz n TYR 56 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 2rnz s VAL 57 N 0.67 -0.61 -1.16 -3.48 -7.23 -1.26 -4.78 120.40 102.56 2rnz s VAL 57 Ca 0.06 -0.21 -0.03 0.00 -1.81 0.00 0.00 61.98 59.99 2rnz s VAL 57 Cb -0.00 -0.91 -0.03 0.00 0.56 0.00 0.00 36.38 36.00 2rnz s VAL 57 CO 0.03 -0.22 0.93 0.59 -0.31 0.00 0.00 175.10 176.12 2rnz n ASN 58 N 5.36 -3.73 -0.93 4.85 3.02 -1.26 -5.00 115.26 117.57 2rnz n ASN 58 Ca -0.02 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 2rnz n ASN 58 Cb 0.49 -4.97 0.00 0.00 -0.61 0.00 0.00 39.78 34.70 2rnz n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rnz n TYR 59 N -3.83 -0.74 -0.54 3.10 9.36 -1.26 -5.16 117.16 118.09 2rnz n TYR 59 Ca -0.20 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.74 2rnz n TYR 59 Cb 0.65 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 39.56 2rnz n TYR 59 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2rnz n ASN 60 N -1.31 -2.73 -0.00 2.98 4.13 -1.26 -4.95 115.26 112.12 2rnz n ASN 60 Ca 0.00 -0.32 0.11 0.00 1.68 0.00 0.00 54.58 56.05 2rnz n ASN 60 Cb 0.00 -0.95 -0.15 0.00 -1.54 0.00 0.00 39.78 37.13 2rnz n ASN 60 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2rnz n LYS 61 N -2.96 0.59 0.21 3.52 4.81 -1.26 -4.25 118.16 118.81 2rnz n LYS 61 Ca 0.04 -0.16 0.17 0.00 -0.87 0.00 0.00 58.31 57.49 2rnz n LYS 61 Cb 0.54 -1.53 0.83 0.00 0.02 0.00 0.00 35.03 34.89 2rnz n LYS 61 CO 0.00 0.00 0.00 0.07 1.17 0.00 0.00 177.40 178.64 2rnz h ARG 62 N 0.00 0.00 0.00 1.64 0.11 -2.03 0.25 114.38 114.34 2rnz h ARG 62 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 2rnz h ARG 62 Cb 0.95 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.02 2rnz h ARG 62 CO 0.00 0.00 -0.19 -0.07 0.10 0.00 0.00 179.97 179.81 2rnz h LEU 63 N 0.00 0.00 -7.37 0.08 3.38 -1.96 -3.39 115.31 106.05 2rnz h LEU 63 Ca 0.08 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.52 2rnz h LEU 63 Cb 0.49 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2rnz h LEU 63 CO -0.00 0.19 1.87 -0.67 0.09 0.00 0.00 178.44 179.92 2rnz n ASP 64 N -3.24 3.48 -2.29 -0.43 -0.08 0.86 -4.53 116.55 110.32 2rnz n ASP 64 Ca 0.01 -2.76 -0.11 0.00 -1.51 0.00 0.00 54.79 50.42 2rnz n ASP 64 Cb 0.49 -1.59 -0.05 0.00 2.34 0.00 0.00 41.12 42.32 2rnz n ASP 64 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2rnz n GLU 65 N 7.76 0.24 -5.13 -0.67 -0.00 -0.97 -5.02 120.64 116.84 2rnz n GLU 65 Ca 0.48 -1.93 -0.29 0.00 -0.00 0.00 0.00 57.16 55.42 2rnz n GLU 65 Cb 0.44 1.59 -0.16 0.00 -0.00 0.00 0.00 31.44 33.31 2rnz n GLU 65 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.13 178.80 2rnz s TRP 66 N -2.78 2.10 0.31 -1.84 1.48 -1.26 -0.11 118.94 116.83 2rnz s TRP 66 Ca 0.23 -0.48 0.06 0.00 -1.06 0.00 0.00 56.10 54.85 2rnz s TRP 66 Cb 0.01 -1.37 -0.02 0.00 -1.16 0.00 0.00 33.47 30.93 2rnz s TRP 66 CO 0.16 -0.09 0.22 0.44 -4.06 0.00 0.00 176.95 173.62 2rnz n ILE 67 N 2.69 0.00 -3.03 0.66 -5.35 0.75 -4.92 119.36 110.17 2rnz n ILE 67 Ca -0.16 -2.12 -0.15 0.00 -0.27 0.00 0.00 62.75 60.05 2rnz n ILE 67 Cb 0.52 0.99 0.05 0.00 -1.74 0.00 0.00 39.64 39.47 2rnz n ILE 67 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2rnz n THR 68 N -0.61 0.00 0.26 7.28 -2.24 -1.26 -0.23 114.28 117.47 2rnz n THR 68 Ca 0.04 -1.52 0.15 0.00 -2.27 0.00 0.00 64.05 60.45 2rnz n THR 68 Cb 0.53 -0.62 0.49 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.07 0.02 -0.09 4.28 1.03 -1.85 -2.78 112.91 113.58 2rnz h THR 69 Ca -0.21 -0.71 0.03 0.00 -0.01 0.00 0.00 66.41 65.50 2rnz h THR 69 Cb 0.98 1.70 -0.00 0.00 -1.07 0.00 0.00 68.15 69.76 2rnz h THR 69 CO 0.30 0.01 0.15 -0.78 -0.01 0.00 0.00 175.52 175.19 2rnz h ASP 70 N 0.00 0.00 0.00 0.00 3.58 -1.94 -1.74 116.42 116.32 2rnz h ASP 70 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2rnz h ASP 70 Cb 0.70 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.75 2rnz h ASP 70 CO 0.00 0.00 -0.64 0.54 -2.88 0.00 0.00 179.24 176.26 2rnz n ARG 71 N -3.52 3.24 -3.89 0.28 5.12 -1.15 -5.01 116.66 111.73 2rnz n ARG 71 Ca -0.01 -0.02 -0.35 0.00 -1.93 0.00 0.00 57.85 55.55 2rnz n ARG 71 Cb 0.25 -0.89 -0.05 0.00 -1.16 0.00 0.00 32.46 30.60 2rnz n ARG 71 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2rnz s ILE 72 N -1.82 5.45 -0.14 0.55 1.01 -0.65 -4.08 121.20 121.52 2rnz s ILE 72 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.65 2rnz s ILE 72 Cb 0.03 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 39.02 2rnz s ILE 72 CO 0.20 0.42 -0.22 0.21 0.00 0.00 0.00 174.94 175.55 2rnz s ASN 73 N -1.64 3.12 1.31 3.58 2.47 -1.25 -4.73 114.94 117.81 2rnz s ASN 73 Ca 0.23 -0.60 -0.20 0.00 0.42 0.00 0.00 52.86 52.71 2rnz s ASN 73 Cb -0.12 -1.45 0.31 0.00 -1.45 0.00 0.00 41.25 38.54 2rnz s ASN 73 CO 0.14 0.08 0.71 -0.11 -3.72 0.00 0.00 177.10 174.19 2rnz n LEU 74 N 4.10 -0.74 -0.01 3.21 7.94 -1.26 -4.37 117.00 125.87 2rnz n LEU 74 Ca -0.20 -0.67 0.10 0.00 -1.11 0.00 0.00 56.01 54.13 2rnz n LEU 74 Cb 0.51 -0.95 -0.17 0.00 0.53 0.00 0.00 43.42 43.35 2rnz n LEU 74 CO 0.27 -4.10 -0.77 -0.67 -1.11 0.00 0.00 177.39 171.00 2rnz n ASP 75 N -4.28 0.01 -3.56 1.96 2.03 -1.26 -4.85 116.55 106.60 2rnz n ASP 75 Ca 0.10 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.16 2rnz n ASP 75 Cb 0.51 1.92 0.24 0.00 -0.72 0.00 0.00 41.12 43.08 2rnz n ASP 75 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2rnz n LYS 76 N -2.29 -3.58 -1.62 -0.67 5.02 -1.26 -4.83 118.16 108.92 2rnz n LYS 76 Ca -0.06 -1.06 -0.46 0.00 -2.02 0.00 0.00 58.31 54.71 2rnz n LYS 76 Cb 0.60 -1.79 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 2rnz n LYS 76 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2rnz n GLU 77 N -4.17 1.59 -3.93 1.97 0.28 -1.26 -4.98 120.64 110.14 2rnz n GLU 77 Ca 0.09 0.57 -0.26 0.00 -0.16 0.00 0.00 57.16 57.39 2rnz n GLU 77 Cb 0.51 -2.13 -0.17 0.00 1.43 0.00 0.00 31.44 31.08 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 -0.22 0.94 -0.41 3.84 1.01 -1.26 -4.83 120.40 119.47 2rnz s VAL 78 Ca 0.69 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.44 2rnz s VAL 78 Cb -0.74 -0.97 0.14 0.00 0.00 0.00 0.00 36.38 34.80 2rnz s VAL 78 CO 0.52 0.35 0.23 -0.76 0.00 0.00 0.00 175.10 175.44 2rnz s LEU 79 N 1.68 2.10 -0.73 3.92 1.43 -1.26 -5.05 118.68 120.77 2rnz s LEU 79 Ca 0.04 -2.49 -0.02 0.00 -1.03 0.00 0.00 54.13 50.63 2rnz s LEU 79 Cb -0.13 -0.81 0.18 0.00 0.03 0.00 0.00 46.19 45.47 2rnz s LEU 79 CO -0.07 -0.28 0.57 -0.31 0.23 0.00 0.00 176.35 176.49 2rnz s TYR 80 N 0.58 3.59 0.28 0.29 2.02 -1.26 -5.08 117.35 117.78 2rnz s TYR 80 Ca 0.18 -2.89 -0.29 0.00 -0.37 0.00 0.00 57.07 53.70 2rnz s TYR 80 Cb -0.23 -3.17 -0.10 0.00 -0.40 0.00 0.00 41.96 38.06 2rnz s TYR 80 CO 0.00 -0.78 1.25 -1.25 -1.57 0.00 0.00 175.55 173.20 2rnz s PRO 81 N -0.66 4.44 0.45 -1.71 0.04 -1.26 -5.02 135.00 131.28 2rnz s PRO 81 Ca 0.21 2.06 -0.19 0.00 0.04 0.00 0.00 61.00 63.12 2rnz s PRO 81 Cb -0.14 -3.14 -0.10 0.00 0.04 0.00 0.00 34.50 31.16 2rnz s PRO 81 CO -0.08 -0.09 0.94 0.21 0.04 0.00 0.00 177.00 178.03 2rnz s LYS 82 N -1.26 4.12 1.20 4.56 2.47 -1.26 -5.05 119.74 124.53 2rnz s LYS 82 Ca 0.50 1.03 -0.13 0.00 -1.56 0.00 0.00 55.97 55.80 2rnz s LYS 82 Cb -0.37 -2.19 0.30 0.00 -1.46 0.00 0.00 37.83 34.12 2rnz s LYS 82 CO 0.46 -0.09 1.01 -0.51 0.16 0.00 0.00 175.35 176.38 2rnz s LEU 83 N -3.44 0.59 -0.09 5.43 1.43 -1.26 -4.87 118.68 116.48 2rnz s LEU 83 Ca 0.60 1.47 -0.29 0.00 -1.03 0.00 0.00 54.13 54.88 2rnz s LEU 83 Cb -0.09 -3.32 -0.06 0.00 0.03 0.00 0.00 46.19 42.75 2rnz s LEU 83 CO 0.19 -4.39 1.80 -0.75 0.23 0.00 0.00 176.35 173.42 2rnz s LYS 84 N -4.43 3.96 -0.08 1.70 2.36 -1.26 -4.98 119.74 117.00 2rnz s LYS 84 Ca 0.69 2.16 -0.01 0.00 -2.55 0.00 0.00 55.97 56.26 2rnz s LYS 84 Cb -0.25 -4.09 0.03 0.00 -1.05 0.00 0.00 37.83 32.46 2rnz s LYS 84 CO 0.65 -1.13 -0.03 0.00 1.55 0.00 0.00 175.35 176.40 2rnz s ALA 85 N 4.92 0.91 -1.17 3.13 0.00 -1.26 -5.06 121.76 123.23 2rnz s ALA 85 Ca 0.80 -0.26 -0.21 0.00 0.00 0.00 0.00 51.96 52.29 2rnz s ALA 85 Cb -0.34 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 2rnz s ALA 85 CO 0.33 -0.42 1.90 2.41 0.00 0.00 0.00 175.76 179.98 2rnz n THR 86 N 5.02 2.52 -3.96 0.00 -1.04 -1.26 -4.91 114.28 110.65 2rnz n THR 86 Ca -0.10 -2.54 -0.22 0.00 -2.04 0.00 0.00 64.05 59.15 2rnz n THR 86 Cb 0.50 -2.27 -0.05 0.00 -1.82 0.00 0.00 70.33 66.69 2rnz n THR 86 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2rnz s ASP 87 N 5.46 4.90 -0.01 8.00 -4.77 -1.26 -5.14 116.67 123.84 2rnz s ASP 87 Ca 0.62 -0.69 0.02 0.00 -3.30 0.00 0.00 52.55 49.19 2rnz s ASP 87 Cb 0.04 -0.79 0.00 0.00 -1.09 0.00 0.00 42.92 41.08 2rnz s ASP 87 CO 0.11 -0.36 -0.06 -1.83 0.70 0.00 0.00 175.17 173.73 2rnz s GLU 88 N -3.92 0.58 0.00 2.11 -1.05 -1.26 -5.31 118.70 109.85 2rnz s GLU 88 Ca 0.40 -0.20 0.00 0.00 -0.15 0.00 0.00 54.97 55.02 2rnz s GLU 88 Cb -0.03 -0.57 0.00 0.00 -0.44 0.00 0.00 34.13 33.08 2rnz s GLU 88 CO 0.24 0.09 0.26 -0.25 0.95 0.00 0.00 175.26 176.55