#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 1.08 0.03 3.17 0.00 -1.26 -5.16 107.32 105.19 2rnz s GLY -3 Ca 0.00 -1.38 0.02 0.00 0.00 0.00 0.00 44.72 43.36 2rnz s GLY -3 CO 0.00 -1.46 -0.07 -1.35 0.00 0.00 0.00 173.10 170.22 2rnz s SER -2 N -2.77 0.74 1.23 1.64 1.04 -1.26 -5.16 113.70 109.16 2rnz s SER -2 Ca 0.12 -0.46 -0.20 0.00 0.48 0.00 0.00 55.95 55.89 2rnz s SER -2 Cb -0.02 0.02 0.30 0.00 0.10 0.00 0.00 66.02 66.42 2rnz s SER -2 CO 0.02 -0.16 1.11 -1.20 0.98 0.00 0.00 173.24 173.99 2rnz n SER -1 N 1.76 -1.91 -4.91 7.02 7.64 -1.26 -5.04 113.62 116.92 2rnz n SER -1 Ca -0.21 -1.20 -0.28 0.00 1.01 0.00 0.00 58.87 58.20 2rnz n SER -1 Cb 0.55 -1.01 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 2rnz n SER -1 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2rnz s HIS 0 N -3.06 3.48 0.30 1.43 3.76 -1.26 -5.11 115.29 114.83 2rnz s HIS 0 Ca 0.71 0.56 0.06 0.00 -0.15 0.00 0.00 55.06 56.25 2rnz s HIS 0 Cb -0.07 -2.04 -0.02 0.00 1.11 0.00 0.00 32.58 31.56 2rnz s HIS 0 CO 0.54 0.19 0.23 0.72 -0.85 0.00 0.00 174.74 175.57 2rnz n HIS 1 N -1.02 -0.57 -3.71 1.40 8.25 -1.26 -5.18 115.22 113.12 2rnz n HIS 1 Ca -0.02 -2.40 -0.10 0.00 -0.26 0.00 0.00 57.72 54.93 2rnz n HIS 1 Cb 0.54 0.21 -0.05 0.00 1.12 0.00 0.00 29.99 31.81 2rnz n HIS 1 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2rnz s HIS 2 N -3.13 -0.08 -0.05 4.41 2.46 -1.26 -5.18 115.29 112.45 2rnz s HIS 2 Ca 0.32 -0.27 -0.30 0.00 0.47 0.00 0.00 55.06 55.28 2rnz s HIS 2 Cb 0.02 0.16 0.11 0.00 -0.13 0.00 0.00 32.58 32.74 2rnz s HIS 2 CO 0.23 -0.66 0.96 -3.38 -2.47 0.00 0.00 174.74 169.41 2rnz s HIS 3 N -3.83 -0.31 0.30 3.88 -3.43 -1.26 -5.19 115.29 105.46 2rnz s HIS 3 Ca 0.04 0.23 0.01 0.00 -0.80 0.00 0.00 55.06 54.53 2rnz s HIS 3 Cb 0.03 0.53 -0.02 0.00 -1.43 0.00 0.00 32.58 31.68 2rnz s HIS 3 CO -0.11 -0.46 0.33 -1.01 -2.00 0.00 0.00 174.74 171.49 2rnz s HIS 4 N -2.79 1.28 -0.17 0.38 3.76 -1.26 -5.18 115.29 111.31 2rnz s HIS 4 Ca 0.05 -1.40 -0.30 0.00 -0.15 0.00 0.00 55.06 53.27 2rnz s HIS 4 Cb -0.01 -0.39 0.12 0.00 1.11 0.00 0.00 32.58 33.41 2rnz s HIS 4 CO -0.07 -0.93 0.98 -1.58 -0.85 0.00 0.00 174.74 172.29 2rnz s HIS 5 N -3.50 -0.40 0.12 1.40 5.04 -1.26 -5.18 115.29 111.50 2rnz s HIS 5 Ca 0.35 0.74 0.04 0.00 -1.54 0.00 0.00 55.06 54.65 2rnz s HIS 5 Cb 0.02 0.44 -0.04 0.00 0.04 0.00 0.00 32.58 33.04 2rnz s HIS 5 CO 0.20 -0.35 -0.10 -1.54 -2.34 0.00 0.00 174.74 170.62 2rnz s SER 6 N -0.95 1.59 -0.27 9.88 1.04 -1.26 -5.08 113.70 118.66 2rnz s SER 6 Ca -0.02 -0.94 -0.18 0.00 0.48 0.00 0.00 55.95 55.29 2rnz s SER 6 Cb -0.01 0.01 0.07 0.00 0.10 0.00 0.00 66.02 66.19 2rnz s SER 6 CO 0.01 -0.32 0.67 -0.44 0.98 0.00 0.00 173.24 174.14 2rnz s SER 7 N -2.89 -0.84 0.00 7.02 0.01 -1.26 -5.12 113.70 110.62 2rnz s SER 7 Ca 0.12 1.43 0.00 0.00 1.31 0.00 0.00 55.95 58.81 2rnz s SER 7 Cb 0.01 1.35 0.00 0.00 0.21 0.00 0.00 66.02 67.59 2rnz s SER 7 CO -0.00 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2rnz n GLY 8 N 3.78 0.47 0.45 3.44 0.00 -1.26 -4.97 105.19 107.10 2rnz n GLY 8 Ca -0.18 -0.75 -0.01 0.00 0.00 0.00 0.00 46.02 45.07 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 0.42 -4.64 0.99 4.32 -1.26 -5.02 117.00 111.81 2rnz n LEU 9 Ca 0.00 0.07 -0.35 0.00 -0.02 0.00 0.00 56.01 55.71 2rnz n LEU 9 Cb 0.00 -0.36 -0.10 0.00 -1.62 0.00 0.00 43.42 41.34 2rnz n LEU 9 CO 0.00 -0.49 -0.28 0.54 -1.22 0.00 0.00 177.39 175.94 2rnz s VAL 10 N -1.41 4.55 0.73 4.08 0.11 -1.26 -4.64 120.40 122.57 2rnz s VAL 10 Ca -0.04 -0.13 -0.12 0.00 -2.93 0.00 0.00 61.98 58.75 2rnz s VAL 10 Cb 0.01 -3.00 0.04 0.00 -1.53 0.00 0.00 36.38 31.89 2rnz s VAL 10 CO 0.07 0.52 1.10 -2.16 -3.33 0.00 0.00 175.10 171.29 2rnz s PRO 11 N -0.06 2.46 -0.17 1.54 0.04 -1.26 -4.97 135.00 132.58 2rnz s PRO 11 Ca 0.05 1.25 -0.15 0.00 0.04 0.00 0.00 61.00 62.18 2rnz s PRO 11 Cb -0.12 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.55 2rnz s PRO 11 CO 0.01 -1.50 0.46 -0.98 0.04 0.00 0.00 177.00 175.04 2rnz s ARG 12 N -4.61 0.53 -1.01 4.56 1.70 -1.26 -4.97 118.95 113.89 2rnz s ARG 12 Ca 0.63 0.66 -0.05 0.00 -0.47 0.00 0.00 55.73 56.50 2rnz s ARG 12 Cb -0.18 0.24 -0.06 0.00 -0.57 0.00 0.00 34.95 34.37 2rnz s ARG 12 CO 0.51 -0.07 0.89 0.41 -1.08 0.00 0.00 175.30 175.95 2rnz n GLY 13 N 2.97 -1.15 1.07 3.88 0.00 -1.26 -4.98 105.19 105.72 2rnz n GLY 13 Ca -0.14 0.57 -0.06 0.00 0.00 0.00 0.00 46.02 46.38 2rnz n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rnz n SER 14 N -3.10 1.02 -2.01 1.61 3.41 -1.26 -4.99 113.62 108.30 2rnz n SER 14 Ca -0.06 -1.47 -0.01 0.00 -0.26 0.00 0.00 58.87 57.07 2rnz n SER 14 Cb 0.61 -0.07 0.05 0.00 -0.26 0.00 0.00 64.21 64.55 2rnz n SER 14 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2rnz n HIS 15 N -1.11 0.84 -4.30 7.33 8.25 -1.26 -5.04 115.22 119.94 2rnz n HIS 15 Ca 0.02 -1.48 -0.17 0.00 -0.26 0.00 0.00 57.72 55.83 2rnz n HIS 15 Cb 0.17 -0.22 -0.10 0.00 1.12 0.00 0.00 29.99 30.96 2rnz n HIS 15 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2rnz s MET 16 N -2.33 1.19 -0.02 -0.41 0.23 -1.26 -4.41 119.30 112.30 2rnz s MET 16 Ca 0.34 -1.51 0.00 0.00 -1.03 0.00 0.00 55.69 53.49 2rnz s MET 16 Cb 0.36 -0.89 0.03 0.00 -1.53 0.00 0.00 34.83 32.80 2rnz s MET 16 CO -0.08 0.14 0.03 -1.12 -2.03 0.00 0.00 175.02 171.95 2rnz s SER 17 N -3.20 0.07 0.08 -1.18 0.01 -1.26 -5.00 113.70 103.23 2rnz s SER 17 Ca 0.19 0.04 0.27 0.00 1.31 0.00 0.00 55.95 57.76 2rnz s SER 17 Cb 0.00 -0.07 0.98 0.00 0.21 0.00 0.00 66.02 67.15 2rnz s SER 17 CO 0.04 -0.12 1.80 0.55 0.41 0.00 0.00 173.24 175.92 2rnz n VAL 18 N 4.11 0.24 0.56 3.43 3.14 -1.26 -3.25 118.33 125.30 2rnz n VAL 18 Ca -0.27 -0.12 0.08 0.00 -2.96 0.00 0.00 64.34 61.07 2rnz n VAL 18 Cb 0.51 -0.46 0.35 0.00 -1.06 0.00 0.00 33.84 33.18 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 -1.81 0.00 -0.05 6.55 2.03 -1.26 -2.40 116.55 119.61 2rnz n ASP 19 Ca 0.06 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.88 2rnz n ASP 19 Cb 0.38 -0.50 -0.16 0.00 -0.72 0.00 0.00 41.12 40.11 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 -1.50 0.02 -4.74 1.67 2.03 -1.20 -4.94 116.55 107.89 2rnz n ASP 20 Ca 0.04 0.01 -0.40 0.00 0.52 0.00 0.00 54.79 54.95 2rnz n ASP 20 Cb 0.19 1.46 -0.05 0.00 -0.72 0.00 0.00 41.12 42.00 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 -2.99 4.51 0.16 5.18 1.01 -1.01 -5.06 121.20 122.99 2rnz s ILE 21 Ca -0.09 1.89 0.01 0.00 0.00 0.00 0.00 60.65 62.46 2rnz s ILE 21 Cb 0.10 -4.23 -0.00 0.00 0.01 0.00 0.00 42.46 38.33 2rnz s ILE 21 CO 0.87 0.38 0.04 2.30 0.00 0.00 0.00 174.94 178.53 2rnz n ILE 22 N 2.49 0.00 -3.00 2.92 -5.35 -1.26 -4.99 119.36 110.17 2rnz n ILE 22 Ca -0.01 -0.88 -0.34 0.00 -0.27 0.00 0.00 62.75 61.26 2rnz n ILE 22 Cb 0.49 0.29 -0.06 0.00 -1.74 0.00 0.00 39.64 38.61 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 -2.01 4.51 -1.54 7.28 -1.09 -1.26 -3.87 121.20 123.22 2rnz s ILE 23 Ca 0.06 1.29 -0.04 0.00 -2.23 0.00 0.00 60.65 59.73 2rnz s ILE 23 Cb 0.00 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 2rnz s ILE 23 CO 0.04 -0.09 0.55 0.29 -1.23 0.00 0.00 174.94 174.51 2rnz n LYS 24 N -0.08 -4.57 -3.96 2.79 5.02 0.84 -4.99 118.16 113.21 2rnz n LYS 24 Ca 0.03 0.90 -0.22 0.00 -2.02 0.00 0.00 58.31 57.00 2rnz n LYS 24 Cb 0.52 -5.70 -0.05 0.00 -0.02 0.00 0.00 35.03 29.79 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 -3.92 4.11 -0.11 0.00 -2.07 -1.26 -0.16 119.66 116.25 2rnz s GLN 26 Ca 0.39 0.04 0.02 0.00 -1.82 0.00 0.00 55.36 53.98 2rnz s GLN 26 Cb -0.05 -3.57 0.01 0.00 -1.09 0.00 0.00 33.01 28.32 2rnz s GLN 26 CO 0.25 -0.08 -0.15 0.00 -1.32 0.00 0.00 175.29 173.99 2rnz s TRP 28 N 0.96 3.23 -0.38 0.00 0.52 -1.26 -1.27 118.94 120.74 2rnz s TRP 28 Ca -0.07 1.14 -0.14 0.00 0.02 0.00 0.00 56.10 57.05 2rnz s TRP 28 Cb -0.15 -3.50 0.01 0.00 -1.15 0.00 0.00 33.47 28.68 2rnz s TRP 28 CO -0.01 -1.65 0.28 0.08 0.02 0.00 0.00 176.95 175.66 2rnz s VAL 29 N 1.64 5.26 -0.56 4.03 1.01 0.83 -4.42 120.40 128.19 2rnz s VAL 29 Ca 0.60 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 2rnz s VAL 29 Cb -0.29 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.30 2rnz s VAL 29 CO 0.27 -0.20 0.78 -1.58 0.00 0.00 0.00 175.10 174.37 2rnz s GLN 30 N 1.69 3.15 0.76 2.72 0.74 -1.23 -1.35 119.66 126.14 2rnz s GLN 30 Ca 0.05 -0.82 -0.12 0.00 0.05 0.00 0.00 55.36 54.53 2rnz s GLN 30 Cb -0.18 -4.15 0.04 0.00 1.10 0.00 0.00 33.01 29.82 2rnz s GLN 30 CO 0.10 -1.46 1.11 0.21 -0.55 0.00 0.00 175.29 174.69 2rnz s LYS 31 N 3.23 2.43 0.11 1.67 2.47 0.30 -4.88 119.74 125.08 2rnz s LYS 31 Ca 0.19 0.49 -0.33 0.00 -1.56 0.00 0.00 55.97 54.76 2rnz s LYS 31 Cb -0.18 -1.97 -0.12 0.00 -1.46 0.00 0.00 37.83 34.09 2rnz s LYS 31 CO 0.12 -1.34 1.57 -0.97 0.16 0.00 0.00 175.35 174.88 2rnz h ASN 32 N -0.88 -1.51 0.00 1.43 -1.24 -1.98 -3.24 115.58 108.16 2rnz h ASN 32 Ca -0.46 0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.72 2rnz h ASN 32 Cb 1.27 0.57 0.00 0.00 0.73 0.00 0.00 38.32 40.89 2rnz h ASN 32 CO 0.62 -0.52 -0.06 -0.67 -1.29 0.00 0.00 177.43 175.51 2rnz n ASP 33 N -5.47 2.00 -4.17 1.15 2.03 -1.26 -5.05 116.55 105.78 2rnz n ASP 33 Ca -0.07 -2.85 -0.12 0.00 0.52 0.00 0.00 54.79 52.26 2rnz n ASP 33 Cb 0.40 -0.37 -0.10 0.00 -0.72 0.00 0.00 41.12 40.33 2rnz n ASP 33 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2rnz s GLU 34 N -2.35 1.23 -0.04 -0.67 2.02 -1.22 -5.16 118.70 112.50 2rnz s GLU 34 Ca 0.25 -1.64 -0.01 0.00 0.02 0.00 0.00 54.97 53.59 2rnz s GLU 34 Cb 0.22 0.28 0.03 0.00 0.10 0.00 0.00 34.13 34.76 2rnz s GLU 34 CO 0.02 -0.40 0.05 -1.21 0.02 0.00 0.00 175.26 173.74 2rnz s GLU 35 N -4.13 -0.06 0.29 1.61 8.01 -1.26 -0.53 118.70 122.62 2rnz s GLU 35 Ca 0.39 0.33 0.05 0.00 0.01 0.00 0.00 54.97 55.74 2rnz s GLU 35 Cb 0.07 -0.42 -0.03 0.00 -4.31 0.00 0.00 34.13 29.43 2rnz s GLU 35 CO 0.12 -0.28 0.23 -0.98 0.01 0.00 0.00 175.26 174.37 2rnz s ARG 36 N 1.84 1.58 -0.02 1.61 1.70 -0.46 -4.97 118.95 120.24 2rnz s ARG 36 Ca 0.01 -1.90 0.04 0.00 -0.47 0.00 0.00 55.73 53.41 2rnz s ARG 36 Cb -0.12 0.31 -0.01 0.00 -0.57 0.00 0.00 34.95 34.56 2rnz s ARG 36 CO -0.03 -0.57 -0.15 -1.17 -1.08 0.00 0.00 175.30 172.30 2rnz s LEU 37 N -3.31 2.00 0.04 -1.89 0.20 -1.26 -0.12 118.68 114.35 2rnz s LEU 37 Ca 0.40 -0.28 -0.01 0.00 0.69 0.00 0.00 54.13 54.94 2rnz s LEU 37 Cb 0.04 -0.79 -0.04 0.00 -0.43 0.00 0.00 46.19 44.98 2rnz s LEU 37 CO 0.23 0.18 -0.03 0.00 -0.29 0.00 0.00 176.35 176.43 2rnz s ALA 38 N -0.28 0.44 0.17 5.97 0.00 -0.40 -4.86 121.76 122.81 2rnz s ALA 38 Ca 0.04 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.97 2rnz s ALA 38 Cb -0.07 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 2rnz s ALA 38 CO -0.00 -0.31 0.31 -2.00 0.00 0.00 0.00 175.76 173.75 2rnz s GLU 39 N -3.30 3.44 -0.24 0.00 2.12 0.16 -0.13 118.70 120.75 2rnz s GLU 39 Ca 0.01 -0.63 -0.11 0.00 0.36 0.00 0.00 54.97 54.61 2rnz s GLU 39 Cb 0.03 -2.94 -0.05 0.00 0.26 0.00 0.00 34.13 31.43 2rnz s GLU 39 CO -0.07 0.50 0.16 0.42 -0.54 0.00 0.00 175.26 175.73 2rnz s ILE 40 N -1.80 5.36 -0.00 -3.70 -1.09 0.78 -0.77 121.20 119.97 2rnz s ILE 40 Ca 0.34 0.20 -0.00 0.00 -2.23 0.00 0.00 60.65 58.96 2rnz s ILE 40 Cb -0.11 -3.50 -0.00 0.00 -1.58 0.00 0.00 42.46 37.27 2rnz s ILE 40 CO 0.29 0.35 -0.01 0.18 -1.23 0.00 0.00 174.94 174.52 2rnz n LEU 41 N 4.24 0.05 -4.64 2.97 4.77 -0.38 -0.11 117.00 123.89 2rnz n LEU 41 Ca -0.15 0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.60 2rnz n LEU 41 Cb 0.52 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 2rnz n LEU 41 CO 0.35 -0.50 -0.30 -0.55 -1.33 0.00 0.00 177.39 175.06 2rnz s SER 42 N -4.20 4.31 -0.01 -1.43 0.15 -1.26 -4.39 113.70 106.86 2rnz s SER 42 Ca -0.01 -0.87 -0.00 0.00 0.70 0.00 0.00 55.95 55.77 2rnz s SER 42 Cb 0.00 -0.63 0.01 0.00 -1.71 0.00 0.00 66.02 63.70 2rnz s SER 42 CO 0.01 -0.17 0.02 -0.63 1.20 0.00 0.00 173.24 173.67 2rnz s ILE 43 N -2.45 -0.03 -0.14 6.45 1.01 -1.26 -0.60 121.20 124.18 2rnz s ILE 43 Ca 0.34 0.10 -0.08 0.00 0.00 0.00 0.00 60.65 61.02 2rnz s ILE 43 Cb -0.02 -0.05 -0.04 0.00 0.01 0.00 0.00 42.46 42.35 2rnz s ILE 43 CO 0.20 0.04 0.14 0.20 0.00 0.00 0.00 174.94 175.52 2rnz s ASN 44 N 0.51 6.35 -0.06 3.58 0.01 -1.21 -4.98 114.94 119.15 2rnz s ASN 44 Ca -0.04 0.42 0.12 0.00 -0.71 0.00 0.00 52.86 52.65 2rnz s ASN 44 Cb -0.06 -2.07 0.22 0.00 0.41 0.00 0.00 41.25 39.75 2rnz s ASN 44 CO -0.01 0.36 1.10 0.35 -1.51 0.00 0.00 177.10 177.39 2rnz n THR 45 N 2.30 0.70 -0.06 1.60 -2.24 -1.26 -3.93 114.28 111.39 2rnz n THR 45 Ca -0.19 -1.17 -0.05 0.00 -2.27 0.00 0.00 64.05 60.37 2rnz n THR 45 Cb 0.54 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 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 0.38 0.00 -6.55 -0.78 1.12 -1.97 -3.48 114.38 103.10 2rnz h ARG 46 Ca -0.06 0.00 -0.64 0.00 -1.11 0.00 0.00 59.98 58.17 2rnz h ARG 46 Cb 1.38 0.00 -0.17 0.00 -0.01 0.00 0.00 29.97 31.18 2rnz h ARG 46 CO 0.02 0.21 -0.78 0.15 -3.11 0.00 0.00 179.97 176.47 2rnz s LYS 47 N -1.90 1.74 0.19 0.20 -0.14 -1.26 -5.15 119.74 113.43 2rnz s LYS 47 Ca -0.09 -1.41 0.07 0.00 -1.36 0.00 0.00 55.97 53.17 2rnz s LYS 47 Cb 0.01 -1.98 -0.04 0.00 -1.68 0.00 0.00 37.83 34.14 2rnz s LYS 47 CO 0.20 0.42 0.08 0.00 -0.76 0.00 0.00 175.35 175.29 2rnz s ALA 48 N -1.67 3.39 0.79 5.17 0.00 -1.26 -4.09 121.76 124.10 2rnz s ALA 48 Ca 0.22 -1.35 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 2rnz s ALA 48 Cb -0.08 -1.16 0.07 0.00 0.00 0.00 0.00 23.12 21.95 2rnz s ALA 48 CO 0.12 0.43 1.09 -1.25 0.00 0.00 0.00 175.76 176.15 2rnz s PRO 49 N -3.21 2.08 0.53 0.00 0.04 -1.26 -4.94 135.00 128.25 2rnz s PRO 49 Ca 0.30 1.11 -0.20 0.00 0.04 0.00 0.00 61.00 62.26 2rnz s PRO 49 Cb -0.09 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 2rnz s PRO 49 CO 0.21 -1.75 1.13 -1.25 0.04 0.00 0.00 177.00 175.38 2rnz s PRO 50 N -4.91 3.40 0.41 0.56 0.04 -1.26 -4.93 135.00 128.32 2rnz s PRO 50 Ca 0.62 1.62 0.03 0.00 0.04 0.00 0.00 61.00 63.31 2rnz s PRO 50 Cb -0.17 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2rnz s PRO 50 CO 0.56 -0.81 0.08 -1.59 0.04 0.00 0.00 177.00 175.28 2rnz s LYS 51 N -3.23 1.93 -0.05 4.56 0.00 -1.25 -3.71 119.74 117.98 2rnz s LYS 51 Ca 0.72 -2.16 -0.09 0.00 0.00 0.00 0.00 55.97 54.43 2rnz s LYS 51 Cb -0.24 -0.94 0.02 0.00 0.00 0.00 0.00 37.83 36.66 2rnz s LYS 51 CO 0.27 -0.36 0.23 -0.06 0.00 0.00 0.00 175.35 175.44 2rnz s PHE 52 N -3.12 -0.17 -0.29 1.78 0.40 -0.05 -3.32 117.98 113.21 2rnz s PHE 52 Ca 0.24 0.37 -0.26 0.00 -0.60 0.00 0.00 56.93 56.67 2rnz s PHE 52 Cb 0.04 0.06 0.01 0.00 0.51 0.00 0.00 43.02 43.63 2rnz s PHE 52 CO 0.12 -0.22 0.91 -0.47 0.70 0.00 0.00 175.22 176.26 2rnz s TYR 53 N -0.57 3.23 -0.05 0.36 6.14 0.23 -1.34 117.35 125.35 2rnz s TYR 53 Ca -0.07 1.08 -0.15 0.00 0.64 0.00 0.00 57.07 58.57 2rnz s TYR 53 Cb -0.04 -3.33 -0.05 0.00 0.42 0.00 0.00 41.96 38.96 2rnz s TYR 53 CO 0.01 -0.58 0.41 0.14 0.64 0.00 0.00 175.55 176.18 2rnz s VAL 54 N 3.17 5.10 0.02 3.14 -7.23 0.87 -1.25 120.40 124.22 2rnz s VAL 54 Ca 0.38 0.83 -0.01 0.00 -1.81 0.00 0.00 61.98 61.38 2rnz s VAL 54 Cb -0.14 -3.73 -0.02 0.00 0.56 0.00 0.00 36.38 33.06 2rnz s VAL 54 CO 0.11 0.49 -0.02 -2.28 -0.31 0.00 0.00 175.10 173.10 2rnz s HIS 55 N -0.47 0.24 -0.23 2.82 2.46 0.05 -2.73 115.29 117.44 2rnz s HIS 55 Ca 0.23 -0.49 -0.11 0.00 0.47 0.00 0.00 55.06 55.17 2rnz s HIS 55 Cb -0.16 -0.18 -0.05 0.00 -0.13 0.00 0.00 32.58 32.07 2rnz s HIS 55 CO 0.11 -0.19 0.16 -0.47 -2.47 0.00 0.00 174.74 171.88 2rnz s TYR 56 N -1.43 3.35 -0.44 3.88 6.14 -1.25 -0.67 117.35 126.93 2rnz s TYR 56 Ca -0.16 0.27 -0.33 0.00 0.64 0.00 0.00 57.07 57.50 2rnz s TYR 56 Cb -0.10 -2.24 -0.12 0.00 0.42 0.00 0.00 41.96 39.93 2rnz s TYR 56 CO -0.01 0.14 2.29 1.33 0.64 0.00 0.00 175.55 179.94 2rnz n VAL 57 N 4.04 0.13 -3.71 3.14 0.24 -1.26 -0.91 118.33 120.00 2rnz n VAL 57 Ca -0.15 -0.33 -0.24 0.00 -2.04 0.00 0.00 64.34 61.57 2rnz n VAL 57 Cb 0.52 -1.76 0.05 0.00 -1.47 0.00 0.00 33.84 31.18 2rnz n VAL 57 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2rnz n ASN 58 N 11.06 -3.72 -3.26 -1.34 5.15 -1.26 -4.95 115.26 116.94 2rnz n ASN 58 Ca 0.43 -0.71 -0.04 0.00 -0.60 0.00 0.00 54.58 53.66 2rnz n ASN 58 Cb 0.27 -4.38 0.02 0.00 -0.53 0.00 0.00 39.78 35.16 2rnz n ASN 58 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2rnz s TYR 59 N -3.42 0.09 -1.13 1.20 2.02 -0.09 -5.02 117.35 111.00 2rnz s TYR 59 Ca 0.36 -0.55 -0.05 0.00 -0.37 0.00 0.00 57.07 56.47 2rnz s TYR 59 Cb -0.17 0.73 -0.03 0.00 -0.40 0.00 0.00 41.96 42.08 2rnz s TYR 59 CO 0.79 -1.04 0.91 0.09 -1.57 0.00 0.00 175.55 174.73 2rnz n ASN 60 N -1.31 -4.48 -0.20 2.29 5.03 -1.26 -3.92 115.26 111.41 2rnz n ASN 60 Ca -0.03 -0.72 -0.01 0.00 0.87 0.00 0.00 54.58 54.69 2rnz n ASN 60 Cb 0.59 -4.92 0.09 0.00 -1.02 0.00 0.00 39.78 34.53 2rnz n ASN 60 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 2rnz h LYS 61 N -1.50 0.44 0.00 3.52 2.10 -1.95 -1.34 116.57 117.84 2rnz h LYS 61 Ca -0.61 -0.03 -0.20 0.00 -2.00 0.00 0.00 60.65 57.82 2rnz h LYS 61 Cb 1.33 -0.10 -0.04 0.00 -0.90 0.00 0.00 32.23 32.52 2rnz h LYS 61 CO 0.48 0.29 -1.91 2.89 -2.00 0.00 0.00 179.45 179.20 2rnz n ARG 62 N -4.95 1.40 0.26 0.07 1.85 -1.26 -4.42 116.66 109.62 2rnz n ARG 62 Ca 0.08 -0.04 0.12 0.00 -1.00 0.00 0.00 57.85 57.01 2rnz n ARG 62 Cb 0.23 -1.36 0.72 0.00 -1.05 0.00 0.00 32.46 30.99 2rnz n ARG 62 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2rnz h LEU 63 N 0.00 0.00 -8.52 2.89 3.38 -1.93 -3.42 115.31 107.72 2rnz h LEU 63 Ca -0.29 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.07 2rnz h LEU 63 Cb 1.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 2rnz h LEU 63 CO 0.02 0.11 1.50 -0.67 0.09 0.00 0.00 178.44 179.50 2rnz n ASP 64 N -3.76 2.02 -1.04 -0.43 2.03 -0.51 -4.87 116.55 109.98 2rnz n ASP 64 Ca -0.02 0.20 -0.00 0.00 0.52 0.00 0.00 54.79 55.49 2rnz n ASP 64 Cb 0.22 -1.30 -0.00 0.00 -0.72 0.00 0.00 41.12 39.32 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 8.42 0.01 -4.63 -0.67 0.28 -1.10 -5.02 120.64 117.93 2rnz n GLU 65 Ca 0.43 -0.07 -0.27 0.00 -0.16 0.00 0.00 57.16 57.09 2rnz n GLU 65 Cb 0.28 0.05 -0.14 0.00 1.43 0.00 0.00 31.44 33.06 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 -2.07 2.06 0.24 -1.84 1.48 -1.26 -0.09 118.94 117.47 2rnz s TRP 66 Ca 0.01 -0.39 0.01 0.00 -1.06 0.00 0.00 56.10 54.66 2rnz s TRP 66 Cb 0.00 -1.20 -0.05 0.00 -1.16 0.00 0.00 33.47 31.07 2rnz s TRP 66 CO 0.01 0.17 0.09 0.96 -4.06 0.00 0.00 176.95 174.11 2rnz s ILE 67 N -0.90 0.52 0.15 0.66 -4.36 -0.45 -4.90 121.20 111.92 2rnz s ILE 67 Ca 0.10 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.52 2rnz s ILE 67 Cb -0.10 -2.55 0.02 0.00 1.25 0.00 0.00 42.46 41.08 2rnz s ILE 67 CO 0.03 -0.07 0.21 0.35 0.24 0.00 0.00 174.94 175.70 2rnz n THR 68 N -0.42 0.00 0.24 8.37 -2.24 -1.26 -0.87 114.28 118.11 2rnz n THR 68 Ca -0.01 -0.49 0.11 0.00 -2.27 0.00 0.00 64.05 61.39 2rnz n THR 68 Cb 0.66 -0.88 0.62 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.02 0.61 -0.83 4.28 1.03 -1.80 -2.41 112.91 113.81 2rnz h THR 69 Ca -0.07 -0.78 0.22 0.00 -0.01 0.00 0.00 66.41 65.77 2rnz h THR 69 Cb 0.32 1.51 -0.04 0.00 -1.07 0.00 0.00 68.15 68.86 2rnz h THR 69 CO 0.10 0.17 0.58 -0.78 -0.01 0.00 0.00 175.52 175.58 2rnz h ASP 70 N 0.00 0.12 0.00 0.00 3.58 -1.94 -1.22 116.42 116.96 2rnz h ASP 70 Ca -0.00 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.41 2rnz h ASP 70 Cb 0.49 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2rnz h ASP 70 CO 0.02 0.05 -1.75 0.54 -2.88 0.00 0.00 179.24 175.22 2rnz n ARG 71 N -4.36 0.71 -3.55 0.28 5.12 -1.05 -4.91 116.66 108.90 2rnz n ARG 71 Ca 0.17 -0.11 -0.39 0.00 -1.93 0.00 0.00 57.85 55.59 2rnz n ARG 71 Cb 0.82 -1.36 -0.11 0.00 -1.16 0.00 0.00 32.46 30.65 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 -2.91 5.29 -0.14 0.55 1.01 -0.46 -3.56 121.20 120.99 2rnz s ILE 72 Ca -0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.53 2rnz s ILE 72 Cb 0.09 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.94 2rnz s ILE 72 CO 0.62 0.09 -0.08 0.21 0.00 0.00 0.00 174.94 175.77 2rnz s ASN 73 N 1.74 2.49 0.96 3.58 2.47 -1.26 -4.56 114.94 120.36 2rnz s ASN 73 Ca 0.07 -0.45 -0.12 0.00 0.42 0.00 0.00 52.86 52.77 2rnz s ASN 73 Cb -0.17 -0.94 0.17 0.00 -1.45 0.00 0.00 41.25 38.86 2rnz s ASN 73 CO 0.11 -0.12 1.09 -0.76 -3.72 0.00 0.00 177.10 173.69 2rnz s LEU 74 N 1.63 1.87 -0.15 3.21 1.02 -1.26 -4.87 118.68 120.14 2rnz s LEU 74 Ca 0.04 1.39 0.16 0.00 0.02 0.00 0.00 54.13 55.73 2rnz s LEU 74 Cb -0.13 -3.67 0.43 0.00 0.02 0.00 0.00 46.19 42.84 2rnz s LEU 74 CO -0.09 -3.00 1.20 -0.67 0.02 0.00 0.00 176.35 173.81 2rnz n ASP 75 N -4.11 1.65 -4.54 2.29 2.03 -1.26 -4.95 116.55 107.66 2rnz n ASP 75 Ca 0.06 -3.25 -0.27 0.00 0.52 0.00 0.00 54.79 51.85 2rnz n ASP 75 Cb 0.56 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 40.49 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 -0.58 0.80 -4.29 -0.67 4.76 -1.26 -5.14 118.16 111.78 2rnz n LYS 76 Ca 0.16 -3.26 -0.35 0.00 -2.87 0.00 0.00 58.31 51.99 2rnz n LYS 76 Cb 0.85 0.58 -0.09 0.00 -1.84 0.00 0.00 35.03 34.54 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 -3.90 3.04 0.17 1.97 -1.05 -1.26 -4.82 118.70 112.85 2rnz s GLU 77 Ca 0.16 -0.38 0.09 0.00 -0.15 0.00 0.00 54.97 54.69 2rnz s GLU 77 Cb -0.01 -2.84 -0.04 0.00 -0.44 0.00 0.00 34.13 30.79 2rnz s GLU 77 CO 0.10 0.71 -0.14 0.08 0.95 0.00 0.00 175.26 176.96 2rnz s VAL 78 N -0.93 2.98 -0.35 1.83 1.01 -1.26 -5.00 120.40 118.67 2rnz s VAL 78 Ca 0.14 -1.70 0.01 0.00 0.00 0.00 0.00 61.98 60.43 2rnz s VAL 78 Cb -0.11 -2.45 0.11 0.00 0.00 0.00 0.00 36.38 33.93 2rnz s VAL 78 CO 0.03 -0.08 0.13 -0.76 0.00 0.00 0.00 175.10 174.43 2rnz s LEU 79 N -2.68 2.71 -0.66 3.92 1.43 -1.26 -5.05 118.68 117.09 2rnz s LEU 79 Ca 0.23 -1.98 0.02 0.00 -1.03 0.00 0.00 54.13 51.37 2rnz s LEU 79 Cb -0.09 -1.02 0.16 0.00 0.03 0.00 0.00 46.19 45.28 2rnz s LEU 79 CO 0.13 -0.37 0.45 -0.72 0.23 0.00 0.00 176.35 176.08 2rnz s TYR 80 N 1.18 3.46 0.46 0.29 -0.85 -1.26 -5.09 117.35 115.54 2rnz s TYR 80 Ca 0.12 -3.11 -0.23 0.00 -0.52 0.00 0.00 57.07 53.34 2rnz s TYR 80 Cb -0.19 -2.94 -0.07 0.00 0.38 0.00 0.00 41.96 39.13 2rnz s TYR 80 CO -0.16 -0.70 1.16 -1.25 -1.52 0.00 0.00 175.55 173.08 2rnz s PRO 81 N -0.77 3.74 -0.33 -3.49 0.04 -1.26 -4.91 135.00 128.03 2rnz s PRO 81 Ca 0.21 1.77 -0.27 0.00 0.04 0.00 0.00 61.00 62.75 2rnz s PRO 81 Cb -0.15 -2.39 -0.06 0.00 0.04 0.00 0.00 34.50 31.94 2rnz s PRO 81 CO -0.08 -0.57 2.30 1.17 0.04 0.00 0.00 177.00 179.87 2rnz n LYS 82 N -0.52 1.59 -2.13 4.56 4.81 -1.26 -4.95 118.16 120.26 2rnz n LYS 82 Ca 0.07 0.32 -0.27 0.00 -0.87 0.00 0.00 58.31 57.57 2rnz n LYS 82 Cb 0.48 -3.30 0.12 0.00 0.02 0.00 0.00 35.03 32.34 2rnz n LYS 82 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2rnz s LEU 83 N 9.81 2.76 0.51 3.14 1.43 -1.26 -5.03 118.68 130.04 2rnz s LEU 83 Ca 1.00 0.31 -0.22 0.00 -1.03 0.00 0.00 54.13 54.18 2rnz s LEU 83 Cb -0.29 -2.68 -0.06 0.00 0.03 0.00 0.00 46.19 43.19 2rnz s LEU 83 CO 0.32 -2.06 1.31 -0.75 0.23 0.00 0.00 176.35 175.40 2rnz s LYS 84 N -5.49 3.38 0.28 1.70 2.20 -1.26 -5.03 119.74 115.53 2rnz s LYS 84 Ca 0.66 2.12 0.06 0.00 -0.36 0.00 0.00 55.97 58.45 2rnz s LYS 84 Cb -0.08 -2.35 -0.02 0.00 -1.51 0.00 0.00 37.83 33.87 2rnz s LYS 84 CO 0.48 -0.96 0.38 0.00 -0.36 0.00 0.00 175.35 174.89 2rnz s ALA 85 N -1.36 4.00 0.09 3.13 0.00 -1.26 -5.12 121.76 121.25 2rnz s ALA 85 Ca 0.68 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2rnz s ALA 85 Cb -0.37 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 2rnz s ALA 85 CO 0.45 0.12 0.25 -0.08 0.00 0.00 0.00 175.76 176.50 2rnz s THR 86 N -2.10 5.35 0.73 0.00 -1.32 -1.26 -5.09 115.64 111.95 2rnz s THR 86 Ca 0.39 -0.43 -0.11 0.00 -1.21 0.00 0.00 61.69 60.33 2rnz s THR 86 Cb -0.09 -3.66 0.04 0.00 -1.51 0.00 0.00 72.50 67.28 2rnz s THR 86 CO 0.29 0.06 1.09 -1.81 -2.21 0.00 0.00 174.62 172.04 2rnz s ASP 87 N -2.70 4.81 0.58 8.08 1.01 -1.26 -5.06 116.67 122.12 2rnz s ASP 87 Ca 0.36 1.81 0.08 0.00 0.71 0.00 0.00 52.55 55.50 2rnz s ASP 87 Cb -0.12 -2.52 0.09 0.00 1.01 0.00 0.00 42.92 41.37 2rnz s ASP 87 CO 0.28 -1.83 0.80 -1.61 0.21 0.00 0.00 175.17 173.02 2rnz s GLU 88 N -4.78 2.26 0.00 8.23 8.01 -1.26 -5.36 118.70 125.80 2rnz s GLU 88 Ca 0.61 -1.52 0.22 0.00 0.01 0.00 0.00 54.97 54.30 2rnz s GLU 88 Cb -0.17 -2.61 0.17 0.00 -4.31 0.00 0.00 34.13 27.22 2rnz s GLU 88 CO 0.53 -0.89 1.20 -3.47 0.01 0.00 0.00 175.26 172.63