#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 2.15 3.78 3.17 0.00 -1.26 -5.09 105.19 107.94 2rnz n GLY -3 Ca 0.00 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 2rnz n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rnz s SER -2 N -3.42 6.16 -0.24 1.61 0.01 -1.26 -5.08 113.70 111.48 2rnz s SER -2 Ca 0.30 0.30 -0.07 0.00 1.31 0.00 0.00 55.95 57.78 2rnz s SER -2 Cb 0.40 -2.03 0.11 0.00 0.21 0.00 0.00 66.02 64.71 2rnz s SER -2 CO -0.00 0.28 0.51 -0.94 0.41 0.00 0.00 173.24 173.49 2rnz s SER -1 N -0.26 -0.59 0.24 2.44 1.04 -1.26 -5.16 113.70 110.15 2rnz s SER -1 Ca 0.10 1.14 -0.13 0.00 0.48 0.00 0.00 55.95 57.55 2rnz s SER -1 Cb -0.12 1.71 -0.00 0.00 0.10 0.00 0.00 66.02 67.71 2rnz s SER -1 CO 0.01 -0.23 0.47 -1.00 0.98 0.00 0.00 173.24 173.47 2rnz s HIS 0 N 2.72 0.35 0.00 5.02 4.02 -1.26 -5.11 115.29 121.03 2rnz s HIS 0 Ca -0.01 -0.72 0.00 0.00 1.02 0.00 0.00 55.06 55.35 2rnz s HIS 0 Cb -0.12 0.19 0.00 0.00 -1.02 0.00 0.00 32.58 31.62 2rnz s HIS 0 CO -0.16 -0.99 0.00 0.72 1.02 0.00 0.00 174.74 175.34 2rnz n HIS 1 N -0.38 0.00 -3.60 1.40 -0.00 -1.26 -5.03 115.22 106.35 2rnz n HIS 1 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.67 2rnz n HIS 1 Cb 0.62 -0.16 -0.06 0.00 -0.00 0.00 0.00 29.99 30.39 2rnz n HIS 1 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2rnz s HIS 2 N -0.87 -1.19 -0.28 4.41 -0.00 -1.26 -5.01 115.29 111.10 2rnz s HIS 2 Ca 0.00 1.98 -0.19 0.00 -0.00 0.00 0.00 55.06 56.85 2rnz s HIS 2 Cb 0.00 0.61 0.10 0.00 -0.00 0.00 0.00 32.58 33.29 2rnz s HIS 2 CO 0.00 -0.63 0.84 -1.58 -0.00 0.00 0.00 174.74 173.36 2rnz s HIS 3 N 2.80 -0.77 -0.71 0.38 5.65 -1.26 -5.11 115.29 116.26 2rnz s HIS 3 Ca -0.02 1.65 0.01 0.00 0.25 0.00 0.00 55.06 56.95 2rnz s HIS 3 Cb -0.12 0.44 0.18 0.00 -1.18 0.00 0.00 32.58 31.89 2rnz s HIS 3 CO -0.17 -0.38 0.53 -1.01 -0.65 0.00 0.00 174.74 173.06 2rnz s HIS 4 N 1.06 3.57 -0.46 3.88 4.02 -1.26 -4.92 115.29 121.18 2rnz s HIS 4 Ca -0.05 -3.11 0.06 0.00 1.02 0.00 0.00 55.06 52.98 2rnz s HIS 4 Cb -0.05 -2.98 0.40 0.00 -1.02 0.00 0.00 32.58 28.94 2rnz s HIS 4 CO -0.12 -0.69 1.04 1.58 1.02 0.00 0.00 174.74 177.57 2rnz n HIS 5 N 2.56 3.31 -3.66 1.40 -0.00 -1.26 -5.00 115.22 112.57 2rnz n HIS 5 Ca 0.15 -3.35 -0.05 0.00 0.46 0.00 0.00 57.72 54.93 2rnz n HIS 5 Cb 0.36 -0.22 -0.07 0.00 -0.12 0.00 0.00 29.99 29.93 2rnz n HIS 5 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 2rnz s SER 6 N -3.46 -0.74 -0.30 0.26 1.04 -1.26 -5.13 113.70 104.11 2rnz s SER 6 Ca 0.46 1.29 0.03 0.00 0.48 0.00 0.00 55.95 58.21 2rnz s SER 6 Cb 0.37 1.70 0.09 0.00 0.10 0.00 0.00 66.02 68.28 2rnz s SER 6 CO -0.16 -0.22 0.01 -0.55 0.98 0.00 0.00 173.24 173.30 2rnz s SER 7 N 2.50 4.48 0.00 7.02 0.15 -1.26 -5.10 113.70 121.49 2rnz s SER 7 Ca -0.05 -1.79 0.00 0.00 0.70 0.00 0.00 55.95 54.80 2rnz s SER 7 Cb -0.11 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 2rnz s SER 7 CO -0.16 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.56 2rnz n GLY 8 N 4.42 1.59 2.56 9.45 0.00 -1.26 -5.06 105.19 116.89 2rnz n GLY 8 Ca -0.03 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 2rnz n GLY 8 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2rnz n LEU 9 N 0.00 2.71 -4.55 0.99 7.94 -1.26 -5.08 117.00 117.74 2rnz n LEU 9 Ca 0.00 -3.69 -0.26 0.00 -1.11 0.00 0.00 56.01 50.96 2rnz n LEU 9 Cb 0.00 0.19 -0.09 0.00 0.53 0.00 0.00 43.42 44.05 2rnz n LEU 9 CO 0.00 1.45 -0.42 0.68 -1.11 0.00 0.00 177.39 177.99 2rnz s VAL 10 N -4.07 3.05 -0.37 1.96 -7.23 -1.26 -4.30 120.40 108.18 2rnz s VAL 10 Ca 0.35 -1.85 -0.28 0.00 -1.81 0.00 0.00 61.98 58.39 2rnz s VAL 10 Cb 0.36 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.75 2rnz s VAL 10 CO -0.02 -0.20 1.71 -2.16 -0.31 0.00 0.00 175.10 174.13 2rnz s PRO 11 N -3.06 3.34 0.60 4.82 0.04 -1.26 -4.97 135.00 134.51 2rnz s PRO 11 Ca 0.26 1.25 -0.20 0.00 0.04 0.00 0.00 61.00 62.36 2rnz s PRO 11 Cb -0.08 -4.17 -0.03 0.00 0.04 0.00 0.00 34.50 30.26 2rnz s PRO 11 CO 0.15 -1.85 1.24 -2.13 0.04 0.00 0.00 177.00 174.45 2rnz n ARG 12 N 8.40 1.27 0.00 4.56 3.00 -1.26 -4.74 116.66 127.89 2rnz n ARG 12 Ca 0.21 0.48 0.00 0.00 -0.00 0.00 0.00 57.85 58.54 2rnz n ARG 12 Cb 0.47 -2.45 0.00 0.00 0.00 0.00 0.00 32.46 30.48 2rnz n ARG 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2rnz n GLY 13 N 0.95 -1.29 3.66 5.14 0.00 -1.26 -4.95 105.19 107.45 2rnz n GLY 13 Ca 0.13 -1.93 -0.50 0.00 0.00 0.00 0.00 46.02 43.72 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 0.01 2.76 -4.70 1.61 2.88 -1.26 -4.97 113.62 109.95 2rnz n SER 14 Ca 0.00 1.06 -0.27 0.00 -1.33 0.00 0.00 58.87 58.33 2rnz n SER 14 Cb 0.00 -1.31 -0.07 0.00 -0.75 0.00 0.00 64.21 62.08 2rnz n SER 14 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2rnz s HIS 15 N 2.28 2.94 0.46 0.66 -3.43 -1.26 -5.05 115.29 111.89 2rnz s HIS 15 Ca 0.88 -0.09 0.08 0.00 -0.80 0.00 0.00 55.06 55.13 2rnz s HIS 15 Cb -0.82 -1.43 0.03 0.00 -1.43 0.00 0.00 32.58 28.93 2rnz s HIS 15 CO 0.49 0.51 0.62 -1.64 -2.00 0.00 0.00 174.74 172.73 2rnz s MET 16 N -2.89 2.71 -0.04 -0.38 -1.94 -1.26 -4.81 119.30 110.69 2rnz s MET 16 Ca 0.28 -1.33 0.01 0.00 -1.71 0.00 0.00 55.69 52.94 2rnz s MET 16 Cb -0.10 -2.73 0.02 0.00 2.01 0.00 0.00 34.83 34.03 2rnz s MET 16 CO 0.20 -0.41 -0.03 -1.54 -0.01 0.00 0.00 175.02 173.23 2rnz s SER 17 N -4.42 0.78 0.00 3.03 1.04 -1.26 -5.01 113.70 107.86 2rnz s SER 17 Ca 0.57 -0.10 0.27 0.00 0.48 0.00 0.00 55.95 57.17 2rnz s SER 17 Cb -0.09 -0.38 1.28 0.00 0.10 0.00 0.00 66.02 66.93 2rnz s SER 17 CO 0.34 -0.06 1.91 0.55 0.98 0.00 0.00 173.24 176.96 2rnz n VAL 18 N 4.03 0.13 0.33 5.02 3.14 -1.26 -3.37 118.33 126.36 2rnz n VAL 18 Ca -0.26 0.03 0.23 0.00 -2.96 0.00 0.00 64.34 61.38 2rnz n VAL 18 Cb 0.51 -0.58 1.21 0.00 -1.06 0.00 0.00 33.84 33.92 2rnz n VAL 18 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2rnz h ASP 19 N 0.00 0.00 0.02 6.55 3.58 -2.03 -1.11 116.42 123.42 2rnz h ASP 19 Ca 0.00 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 2rnz h ASP 19 Cb 0.35 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 2rnz h ASP 19 CO 0.00 0.00 -2.17 -0.67 -2.88 0.00 0.00 179.24 173.52 2rnz n ASP 20 N -3.06 0.02 -4.72 2.28 2.03 -1.22 -4.92 116.55 106.97 2rnz n ASP 20 Ca -0.03 0.01 -0.38 0.00 0.52 0.00 0.00 54.79 54.91 2rnz n ASP 20 Cb 0.07 1.50 -0.06 0.00 -0.72 0.00 0.00 41.12 41.92 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 -3.04 5.19 0.13 5.18 1.01 -0.42 -5.06 121.20 124.20 2rnz s ILE 21 Ca -0.09 0.93 0.02 0.00 0.00 0.00 0.00 60.65 61.51 2rnz s ILE 21 Cb 0.10 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 2rnz s ILE 21 CO 0.87 0.32 0.06 2.30 0.00 0.00 0.00 174.94 178.50 2rnz n ILE 22 N 3.71 0.00 -2.64 2.92 -5.35 -1.26 -4.88 119.36 111.86 2rnz n ILE 22 Ca -0.07 -0.82 -0.38 0.00 -0.27 0.00 0.00 62.75 61.21 2rnz n ILE 22 Cb 0.52 0.33 -0.05 0.00 -1.74 0.00 0.00 39.64 38.69 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 -2.18 3.90 -1.32 7.28 1.01 -1.26 -3.72 121.20 124.91 2rnz s ILE 23 Ca 0.09 1.63 -0.05 0.00 0.00 0.00 0.00 60.65 62.31 2rnz s ILE 23 Cb 0.00 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.56 2rnz s ILE 23 CO 0.06 0.18 1.04 0.29 0.00 0.00 0.00 174.94 176.51 2rnz n LYS 24 N 0.57 -6.83 -4.22 2.79 5.02 0.80 -5.00 118.16 111.28 2rnz n LYS 24 Ca 0.02 0.78 -0.23 0.00 -2.02 0.00 0.00 58.31 56.85 2rnz n LYS 24 Cb 0.49 -5.74 -0.07 0.00 -0.02 0.00 0.00 35.03 29.68 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 -3.76 4.05 -0.15 0.00 0.74 -1.26 -0.99 119.66 118.29 2rnz s GLN 26 Ca 0.35 -0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.68 2rnz s GLN 26 Cb -0.03 -3.60 0.02 0.00 1.10 0.00 0.00 33.01 30.50 2rnz s GLN 26 CO 0.21 -0.11 -0.17 0.00 -0.55 0.00 0.00 175.29 174.66 2rnz s TRP 28 N 1.21 3.69 -0.38 0.00 0.52 -1.26 -1.10 118.94 121.61 2rnz s TRP 28 Ca 0.00 1.68 -0.14 0.00 0.02 0.00 0.00 56.10 57.66 2rnz s TRP 28 Cb -0.14 -3.16 0.01 0.00 -1.15 0.00 0.00 33.47 29.03 2rnz s TRP 28 CO -0.08 -0.18 0.28 0.08 0.02 0.00 0.00 176.95 177.07 2rnz s VAL 29 N 0.32 5.26 -0.70 4.03 1.01 0.52 -4.47 120.40 126.39 2rnz s VAL 29 Ca 0.50 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 2rnz s VAL 29 Cb -0.25 -3.85 0.10 0.00 0.00 0.00 0.00 36.38 32.39 2rnz s VAL 29 CO 0.30 -0.20 0.89 -1.10 0.00 0.00 0.00 175.10 175.00 2rnz s GLN 30 N 1.69 3.21 0.75 2.72 -0.21 -1.26 -1.33 119.66 125.23 2rnz s GLN 30 Ca 0.05 -1.28 -0.12 0.00 0.02 0.00 0.00 55.36 54.04 2rnz s GLN 30 Cb -0.18 -4.39 0.04 0.00 1.00 0.00 0.00 33.01 29.47 2rnz s GLN 30 CO 0.10 -1.68 1.10 0.21 -2.12 0.00 0.00 175.29 172.90 2rnz s LYS 31 N 3.09 2.50 0.10 2.91 2.36 -0.55 -4.89 119.74 125.26 2rnz s LYS 31 Ca 0.20 0.49 -0.33 0.00 -2.55 0.00 0.00 55.97 53.78 2rnz s LYS 31 Cb -0.17 -1.98 -0.14 0.00 -1.05 0.00 0.00 37.83 34.49 2rnz s LYS 31 CO 0.04 -1.29 1.53 -0.91 1.55 0.00 0.00 175.35 176.26 2rnz h ASN 32 N -0.84 -1.50 0.00 1.43 2.35 -1.96 -3.28 115.58 111.78 2rnz h ASN 32 Ca -0.46 0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2rnz h ASN 32 Cb 1.27 0.54 -0.01 0.00 0.05 0.00 0.00 38.32 40.17 2rnz h ASN 32 CO 0.62 -0.54 -0.17 0.47 -1.65 0.00 0.00 177.43 176.16 2rnz n ASP 33 N -5.32 1.81 -3.86 5.81 9.92 -1.26 -5.06 116.55 118.58 2rnz n ASP 33 Ca -0.08 -2.93 -0.15 0.00 -0.53 0.00 0.00 54.79 51.10 2rnz n ASP 33 Cb 0.40 -0.39 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 2rnz n ASP 33 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2rnz s GLU 34 N -2.29 1.42 -0.04 -1.24 0.41 -1.24 -5.16 118.70 110.57 2rnz s GLU 34 Ca 0.27 -1.78 -0.01 0.00 -0.41 0.00 0.00 54.97 53.03 2rnz s GLU 34 Cb 0.24 0.29 0.03 0.00 -1.78 0.00 0.00 34.13 32.91 2rnz s GLU 34 CO 0.01 -0.50 0.05 -2.00 -0.49 0.00 0.00 175.26 172.33 2rnz s GLU 35 N -3.87 -0.05 0.38 1.61 2.12 -1.26 -1.48 118.70 116.15 2rnz s GLU 35 Ca 0.39 0.32 0.04 0.00 0.36 0.00 0.00 54.97 56.09 2rnz s GLU 35 Cb 0.05 -0.46 -0.03 0.00 0.26 0.00 0.00 34.13 33.95 2rnz s GLU 35 CO 0.18 -0.29 0.14 1.03 -0.54 0.00 0.00 175.26 175.78 2rnz s ARG 36 N 1.90 1.85 -0.00 4.30 1.81 -0.44 -4.98 118.95 123.38 2rnz s ARG 36 Ca 0.02 -2.11 0.00 0.00 -1.72 0.00 0.00 55.73 51.92 2rnz s ARG 36 Cb -0.12 -0.50 -0.00 0.00 -0.45 0.00 0.00 34.95 33.87 2rnz s ARG 36 CO -0.03 -0.46 -0.01 -1.17 -0.68 0.00 0.00 175.30 172.95 2rnz s LEU 37 N -3.55 2.00 0.25 2.53 0.20 -1.26 -0.35 118.68 118.50 2rnz s LEU 37 Ca 0.28 -0.02 0.01 0.00 0.69 0.00 0.00 54.13 55.09 2rnz s LEU 37 Cb 0.03 -0.04 -0.04 0.00 -0.43 0.00 0.00 46.19 45.71 2rnz s LEU 37 CO 0.16 0.01 0.16 0.00 -0.29 0.00 0.00 176.35 176.38 2rnz s ALA 38 N -0.03 1.51 0.30 5.97 0.00 -0.26 -4.79 121.76 124.47 2rnz s ALA 38 Ca 0.00 -1.79 0.11 0.00 0.00 0.00 0.00 51.96 50.28 2rnz s ALA 38 Cb -0.00 1.32 -0.06 0.00 0.00 0.00 0.00 23.12 24.38 2rnz s ALA 38 CO -0.00 -0.57 -0.16 -2.00 0.00 0.00 0.00 175.76 173.03 2rnz s GLU 39 N -3.96 1.74 -0.19 0.00 2.12 0.81 -0.84 118.70 118.37 2rnz s GLU 39 Ca 0.38 -1.83 -0.07 0.00 0.36 0.00 0.00 54.97 53.81 2rnz s GLU 39 Cb 0.06 -1.75 -0.04 0.00 0.26 0.00 0.00 34.13 32.66 2rnz s GLU 39 CO 0.16 0.26 0.07 0.42 -0.54 0.00 0.00 175.26 175.62 2rnz s ILE 40 N -2.54 4.76 -0.18 -3.70 -1.09 -0.16 -0.10 121.20 118.19 2rnz s ILE 40 Ca 0.31 -0.04 0.08 0.00 -2.23 0.00 0.00 60.65 58.77 2rnz s ILE 40 Cb -0.02 -3.15 -0.17 0.00 -1.58 0.00 0.00 42.46 37.54 2rnz s ILE 40 CO 0.16 0.44 -0.06 0.18 -1.23 0.00 0.00 174.94 174.43 2rnz n LEU 41 N 3.69 1.46 -3.65 2.97 4.77 -0.40 -0.14 117.00 125.70 2rnz n LEU 41 Ca -0.16 -0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 55.73 2rnz n LEU 41 Cb 0.52 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 2rnz n LEU 41 CO 0.35 0.61 0.86 -0.55 -1.33 0.00 0.00 177.39 177.33 2rnz s SER 42 N -5.45 -0.17 -0.03 -1.43 0.15 -1.26 -4.60 113.70 100.91 2rnz s SER 42 Ca -0.17 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.32 2rnz s SER 42 Cb 0.06 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.68 2rnz s SER 42 CO 0.56 -0.57 -0.14 -0.63 1.20 0.00 0.00 173.24 173.66 2rnz s ILE 43 N -2.87 1.16 -0.15 6.45 -1.09 -1.26 -0.08 121.20 123.36 2rnz s ILE 43 Ca 0.11 -0.59 -0.04 0.00 -2.23 0.00 0.00 60.65 57.90 2rnz s ILE 43 Cb 0.01 -0.99 -0.03 0.00 -1.58 0.00 0.00 42.46 39.87 2rnz s ILE 43 CO -0.03 0.34 -0.03 0.20 -1.23 0.00 0.00 174.94 174.19 2rnz s ASN 44 N -0.09 4.85 -0.46 3.58 0.01 -1.14 -4.99 114.94 116.71 2rnz s ASN 44 Ca 0.00 -0.11 0.04 0.00 -0.71 0.00 0.00 52.86 52.08 2rnz s ASN 44 Cb -0.08 -1.78 0.44 0.00 0.41 0.00 0.00 41.25 40.25 2rnz s ASN 44 CO 0.01 0.18 1.47 0.35 -1.51 0.00 0.00 177.10 177.60 2rnz n THR 45 N 3.47 2.89 0.03 1.60 -2.24 -1.26 -0.94 114.28 117.82 2rnz n THR 45 Ca -0.17 -3.98 0.03 0.00 -2.27 0.00 0.00 64.05 57.66 2rnz n THR 45 Cb 0.52 -1.17 -0.08 0.00 -2.10 0.00 0.00 70.33 67.50 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 -0.72 0.63 -4.63 -0.78 3.00 -1.26 -4.96 116.66 107.94 2rnz n ARG 46 Ca 0.49 0.12 -0.31 0.00 -0.00 0.00 0.00 57.85 58.15 2rnz n ARG 46 Cb 0.79 -1.74 -0.08 0.00 0.00 0.00 0.00 32.46 31.43 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 -3.07 2.15 -0.12 -0.14 1.02 -1.26 -5.08 119.74 113.24 2rnz s LYS 47 Ca -0.04 -2.28 -0.03 0.00 0.02 0.00 0.00 55.97 53.64 2rnz s LYS 47 Cb 0.09 -1.62 0.05 0.00 -0.52 0.00 0.00 37.83 35.83 2rnz s LYS 47 CO 0.82 -0.30 0.06 0.00 -0.92 0.00 0.00 175.35 175.01 2rnz s ALA 48 N -2.82 0.54 0.96 5.17 0.00 -1.26 -2.56 121.76 121.80 2rnz s ALA 48 Ca 0.16 -0.23 -0.12 0.00 0.00 0.00 0.00 51.96 51.77 2rnz s ALA 48 Cb 0.03 -0.91 0.17 0.00 0.00 0.00 0.00 23.12 22.41 2rnz s ALA 48 CO 0.09 -0.87 1.09 -1.25 0.00 0.00 0.00 175.76 174.82 2rnz s PRO 49 N 2.06 0.71 1.01 0.00 0.04 -1.26 -4.24 135.00 133.31 2rnz s PRO 49 Ca 0.03 0.62 -0.12 0.00 0.04 0.00 0.00 61.00 61.57 2rnz s PRO 49 Cb -0.15 -1.76 0.19 0.00 0.04 0.00 0.00 34.50 32.83 2rnz s PRO 49 CO -0.07 -2.57 1.09 -1.25 0.04 0.00 0.00 177.00 174.25 2rnz s PRO 50 N -4.95 0.36 0.54 0.56 0.04 -1.06 -4.98 135.00 125.51 2rnz s PRO 50 Ca 0.65 0.51 0.09 0.00 0.04 0.00 0.00 61.00 62.29 2rnz s PRO 50 Cb -0.18 -1.73 0.07 0.00 0.04 0.00 0.00 34.50 32.70 2rnz s PRO 50 CO 0.57 -2.77 0.75 0.15 0.04 0.00 0.00 177.00 175.74 2rnz s LYS 51 N -4.96 2.42 -0.08 4.56 3.01 -0.11 -4.68 119.74 119.89 2rnz s LYS 51 Ca 0.65 -1.56 -0.04 0.00 -1.01 0.00 0.00 55.97 54.02 2rnz s LYS 51 Cb -0.19 -2.67 0.04 0.00 -1.01 0.00 0.00 37.83 34.00 2rnz s LYS 51 CO 0.58 -0.73 0.19 -0.06 0.51 0.00 0.00 175.35 175.83 2rnz s PHE 52 N -2.60 -0.24 -0.45 3.18 0.08 0.41 -2.86 117.98 115.51 2rnz s PHE 52 Ca 0.60 0.63 -0.28 0.00 0.12 0.00 0.00 56.93 58.00 2rnz s PHE 52 Cb -0.07 -0.05 0.03 0.00 -0.57 0.00 0.00 43.02 42.36 2rnz s PHE 52 CO 0.38 -0.21 1.05 -0.47 -0.10 0.00 0.00 175.22 175.87 2rnz s TYR 53 N 1.37 2.90 0.13 0.36 6.14 0.89 -0.91 117.35 128.24 2rnz s TYR 53 Ca -0.08 0.68 -0.06 0.00 0.64 0.00 0.00 57.07 58.26 2rnz s TYR 53 Cb -0.11 -4.16 -0.06 0.00 0.42 0.00 0.00 41.96 38.05 2rnz s TYR 53 CO -0.07 -1.13 0.38 0.14 0.64 0.00 0.00 175.55 175.51 2rnz s VAL 54 N 4.09 5.16 -0.03 3.14 -7.23 0.86 -1.28 120.40 125.11 2rnz s VAL 54 Ca 0.44 0.10 -0.02 0.00 -1.81 0.00 0.00 61.98 60.69 2rnz s VAL 54 Cb -0.09 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.24 2rnz s VAL 54 CO 0.27 0.08 0.07 -2.28 -0.31 0.00 0.00 175.10 172.93 2rnz s HIS 55 N -1.62 -0.07 -0.07 2.82 2.46 0.86 -2.57 115.29 117.11 2rnz s HIS 55 Ca 0.40 0.20 -0.05 0.00 0.47 0.00 0.00 55.06 56.08 2rnz s HIS 55 Cb -0.12 -0.01 -0.04 0.00 -0.13 0.00 0.00 32.58 32.28 2rnz s HIS 55 CO 0.23 -0.05 0.16 0.71 -2.47 0.00 0.00 174.74 173.32 2rnz s TYR 56 N 0.24 3.58 -0.18 3.88 2.02 -1.26 -0.14 117.35 125.50 2rnz s TYR 56 Ca -0.02 0.45 -0.14 0.00 -0.37 0.00 0.00 57.07 57.00 2rnz s TYR 56 Cb -0.03 -1.89 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 2rnz s TYR 56 CO -0.01 0.70 0.29 0.14 -1.57 0.00 0.00 175.55 175.09 2rnz s VAL 57 N -1.17 5.30 -1.16 0.71 -7.23 -1.26 -4.24 120.40 111.35 2rnz s VAL 57 Ca 0.21 0.52 -0.02 0.00 -1.81 0.00 0.00 61.98 60.87 2rnz s VAL 57 Cb -0.12 -3.62 0.02 0.00 0.56 0.00 0.00 36.38 33.21 2rnz s VAL 57 CO 0.11 0.37 0.15 0.59 -0.31 0.00 0.00 175.10 176.00 2rnz n ASN 58 N 3.77 -4.09 -0.01 4.85 4.13 -1.26 -4.82 115.26 117.84 2rnz n ASN 58 Ca -0.12 0.03 -0.02 0.00 1.68 0.00 0.00 54.58 56.15 2rnz n ASN 58 Cb 0.52 -3.43 -0.01 0.00 -1.54 0.00 0.00 39.78 35.31 2rnz n ASN 58 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2rnz n TYR 59 N -3.61 0.00 -3.54 3.10 4.19 -1.26 -5.13 117.16 110.91 2rnz n TYR 59 Ca -0.12 0.00 -0.07 0.00 3.31 0.00 0.00 57.90 61.02 2rnz n TYR 59 Cb 0.60 -0.13 -0.02 0.00 0.49 0.00 0.00 39.34 40.27 2rnz n TYR 59 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 2rnz s ASN 60 N -5.38 -0.30 -0.04 2.98 3.84 -1.26 -5.04 114.94 109.74 2rnz s ASN 60 Ca -0.08 0.06 0.18 0.00 0.21 0.00 0.00 52.86 53.23 2rnz s ASN 60 Cb 0.01 0.30 -0.21 0.00 -0.55 0.00 0.00 41.25 40.80 2rnz s ASN 60 CO 0.11 -0.46 0.53 2.29 -2.79 0.00 0.00 177.10 176.78 2rnz n LYS 61 N -0.05 0.65 0.09 0.43 2.85 -1.26 -4.19 118.16 116.68 2rnz n LYS 61 Ca -0.06 0.08 -0.00 0.00 -1.05 0.00 0.00 58.31 57.27 2rnz n LYS 61 Cb 0.60 -1.67 -0.04 0.00 -0.65 0.00 0.00 35.03 33.28 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 -0.14 -1.58 0.11 -2.01 -3.29 114.38 107.47 2rnz h ARG 62 Ca -0.25 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.76 2rnz h ARG 62 Cb 1.68 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.75 2rnz h ARG 62 CO 0.03 0.50 -0.25 -0.07 0.10 0.00 0.00 179.97 180.29 2rnz h LEU 63 N 0.00 0.24 -8.47 0.08 3.38 -1.97 -3.42 115.31 105.15 2rnz h LEU 63 Ca -0.07 -0.07 -0.56 0.00 0.09 0.00 0.00 57.88 57.27 2rnz h LEU 63 Cb 1.53 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 2rnz h LEU 63 CO 0.07 0.49 1.57 -0.67 0.09 0.00 0.00 178.44 180.00 2rnz n ASP 64 N -4.17 1.85 -2.40 -0.43 2.03 -1.24 -4.87 116.55 107.32 2rnz n ASP 64 Ca -0.01 0.04 -0.12 0.00 0.52 0.00 0.00 54.79 55.21 2rnz n ASP 64 Cb 0.36 -1.31 -0.05 0.00 -0.72 0.00 0.00 41.12 39.40 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 8.57 0.26 -5.23 -0.67 0.28 -1.06 -5.02 120.64 117.76 2rnz n GLU 65 Ca 0.45 -2.09 -0.32 0.00 -0.16 0.00 0.00 57.16 55.04 2rnz n GLU 65 Cb 0.30 1.72 -0.16 0.00 1.43 0.00 0.00 31.44 34.73 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 -2.85 2.49 0.32 -1.84 1.48 -1.26 -0.10 118.94 117.17 2rnz s TRP 66 Ca 0.25 -0.80 0.05 0.00 -1.06 0.00 0.00 56.10 54.54 2rnz s TRP 66 Cb 0.01 -1.64 -0.02 0.00 -1.16 0.00 0.00 33.47 30.67 2rnz s TRP 66 CO 0.18 -0.27 0.18 0.44 -4.06 0.00 0.00 176.95 173.42 2rnz n ILE 67 N 3.11 0.00 -3.05 0.66 -5.35 -0.09 -4.91 119.36 109.73 2rnz n ILE 67 Ca -0.18 -2.07 -0.11 0.00 -0.27 0.00 0.00 62.75 60.12 2rnz n ILE 67 Cb 0.52 0.87 0.04 0.00 -1.74 0.00 0.00 39.64 39.34 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 -0.68 0.00 1.48 7.28 -2.24 -1.26 -0.44 114.28 118.42 2rnz n THR 68 Ca 0.00 -1.14 0.10 0.00 -2.27 0.00 0.00 64.05 60.75 2rnz n THR 68 Cb 0.52 -0.70 0.44 0.00 -2.10 0.00 0.00 70.33 68.49 2rnz n THR 68 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2rnz n THR 69 N -1.72 0.14 0.15 4.28 5.66 -1.26 -3.94 114.28 117.59 2rnz n THR 69 Ca 0.09 -0.23 0.13 0.00 -3.05 0.00 0.00 64.05 60.99 2rnz n THR 69 Cb 0.35 0.16 0.68 0.00 -1.55 0.00 0.00 70.33 69.97 2rnz n THR 69 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2rnz h ASP 70 N 1.51 0.00 0.00 1.09 1.82 -1.98 -2.84 116.42 116.01 2rnz h ASP 70 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2rnz h ASP 70 Cb 0.33 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.34 2rnz h ASP 70 CO 0.00 0.00 -1.07 -2.11 -1.61 0.00 0.00 179.24 174.45 2rnz n ARG 71 N -4.42 0.75 -3.88 0.28 -4.01 -1.26 -5.02 116.66 99.11 2rnz n ARG 71 Ca 0.02 -0.03 -0.36 0.00 -1.04 0.00 0.00 57.85 56.45 2rnz n ARG 71 Cb 0.31 -1.05 -0.06 0.00 -3.04 0.00 0.00 32.46 28.62 2rnz n ARG 71 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 2rnz s ILE 72 N -2.18 5.46 -0.06 8.89 1.01 -1.07 -4.40 121.20 128.85 2rnz s ILE 72 Ca -0.01 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.77 2rnz s ILE 72 Cb 0.03 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 2rnz s ILE 72 CO 0.17 0.50 -0.20 0.21 0.00 0.00 0.00 174.94 175.62 2rnz s ASN 73 N -1.40 3.53 0.87 3.58 3.84 -1.26 -4.59 114.94 119.50 2rnz s ASN 73 Ca 0.20 -0.38 -0.13 0.00 0.21 0.00 0.00 52.86 52.77 2rnz s ASN 73 Cb -0.12 -0.92 0.05 0.00 -0.55 0.00 0.00 41.25 39.71 2rnz s ASN 73 CO 0.10 0.27 0.74 -0.11 -2.79 0.00 0.00 177.10 175.31 2rnz n LEU 74 N 2.79 1.65 -1.68 3.21 7.94 -1.26 -4.79 117.00 124.87 2rnz n LEU 74 Ca -0.17 0.46 -0.08 0.00 -1.11 0.00 0.00 56.01 55.10 2rnz n LEU 74 Cb 0.52 -1.32 0.24 0.00 0.53 0.00 0.00 43.42 43.38 2rnz n LEU 74 CO 0.26 -2.84 0.96 0.47 -1.11 0.00 0.00 177.39 175.13 2rnz n ASP 75 N -2.04 3.75 -3.79 1.96 8.00 -1.26 -4.97 116.55 118.20 2rnz n ASP 75 Ca 0.10 -3.46 -0.10 0.00 0.71 0.00 0.00 54.79 52.04 2rnz n ASP 75 Cb 0.52 -0.71 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 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 -3.13 1.18 0.85 -1.24 1.02 -1.26 -5.16 119.74 112.00 2rnz s LYS 76 Ca 0.51 -0.93 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 2rnz s LYS 76 Cb 0.43 0.45 0.10 0.00 -0.52 0.00 0.00 37.83 38.29 2rnz s LYS 76 CO 0.08 -0.46 1.10 -1.83 -0.92 0.00 0.00 175.35 173.32 2rnz s GLU 77 N -3.88 1.61 0.45 1.68 1.03 -1.26 -4.99 118.70 113.33 2rnz s GLU 77 Ca 0.10 1.15 -0.15 0.00 0.03 0.00 0.00 54.97 56.10 2rnz s GLU 77 Cb 0.02 -1.82 -0.08 0.00 -0.80 0.00 0.00 34.13 31.44 2rnz s GLU 77 CO -0.05 -2.09 0.89 0.08 -1.33 0.00 0.00 175.26 172.76 2rnz s VAL 78 N -2.84 4.61 -0.35 1.83 1.01 -1.26 -4.94 120.40 118.47 2rnz s VAL 78 Ca 0.63 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.66 2rnz s VAL 78 Cb -0.19 -3.70 0.11 0.00 0.00 0.00 0.00 36.38 32.60 2rnz s VAL 78 CO 0.57 -0.55 0.13 -0.76 0.00 0.00 0.00 175.10 174.49 2rnz s LEU 79 N -3.79 2.70 -0.66 3.92 1.43 -1.26 -5.05 118.68 115.97 2rnz s LEU 79 Ca 0.56 -1.96 0.02 0.00 -1.03 0.00 0.00 54.13 51.72 2rnz s LEU 79 Cb -0.10 -1.01 0.16 0.00 0.03 0.00 0.00 46.19 45.27 2rnz s LEU 79 CO 0.28 -0.37 0.45 -0.72 0.23 0.00 0.00 176.35 176.22 2rnz s TYR 80 N 1.20 3.46 0.55 0.29 -0.85 -1.26 -5.09 117.35 115.64 2rnz s TYR 80 Ca 0.12 -3.11 -0.19 0.00 -0.52 0.00 0.00 57.07 53.37 2rnz s TYR 80 Cb -0.19 -2.93 -0.06 0.00 0.38 0.00 0.00 41.96 39.16 2rnz s TYR 80 CO -0.16 -0.70 1.13 -1.25 -1.52 0.00 0.00 175.55 173.04 2rnz s PRO 81 N -0.77 3.34 -0.93 -3.49 0.04 -1.26 -4.09 135.00 127.84 2rnz s PRO 81 Ca 0.21 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 62.80 2rnz s PRO 81 Cb -0.15 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2rnz s PRO 81 CO -0.08 -0.86 0.81 1.17 0.04 0.00 0.00 177.00 178.09 2rnz n LYS 82 N -1.33 -1.76 -1.06 4.56 3.00 -1.26 -4.96 118.16 115.35 2rnz n LYS 82 Ca 0.12 1.06 -0.31 0.00 -0.00 0.00 0.00 58.31 59.18 2rnz n LYS 82 Cb 0.51 -5.49 0.12 0.00 0.00 0.00 0.00 35.03 30.18 2rnz n LYS 82 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2rnz s LEU 83 N -4.97 2.84 -0.81 3.14 0.05 -1.26 -4.87 118.68 112.80 2rnz s LEU 83 Ca 0.27 1.90 -0.25 0.00 0.05 0.00 0.00 54.13 56.10 2rnz s LEU 83 Cb -0.05 -4.45 -0.04 0.00 -2.05 0.00 0.00 46.19 39.60 2rnz s LEU 83 CO 0.76 -2.49 1.95 -0.75 -0.55 0.00 0.00 176.35 175.27 2rnz s LYS 84 N -4.81 2.52 0.08 1.48 2.36 -1.26 -4.92 119.74 115.19 2rnz s LYS 84 Ca 0.63 0.01 -0.34 0.00 -2.55 0.00 0.00 55.97 53.72 2rnz s LYS 84 Cb -0.19 -4.86 -0.14 0.00 -1.05 0.00 0.00 37.83 31.59 2rnz s LYS 84 CO 0.57 -3.25 1.63 0.00 1.55 0.00 0.00 175.35 175.85 2rnz n ALA 85 N 13.89 0.97 -1.63 3.13 0.00 -1.26 -4.85 120.51 130.76 2rnz n ALA 85 Ca 0.35 0.41 -0.49 0.00 0.00 0.00 0.00 53.44 53.71 2rnz n ALA 85 Cb 0.48 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.53 2rnz n ALA 85 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2rnz n THR 86 N 3.78 0.02 -2.26 0.00 5.66 -1.26 -4.97 114.28 115.26 2rnz n THR 86 Ca 0.19 -0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.93 2rnz n THR 86 Cb 0.28 -1.22 0.07 0.00 -1.55 0.00 0.00 70.33 67.91 2rnz n THR 86 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2rnz s ASP 87 N 0.87 4.77 1.28 1.09 2.15 -1.26 -5.08 116.67 120.48 2rnz s ASP 87 Ca 0.82 0.35 -0.20 0.00 0.43 0.00 0.00 52.55 53.94 2rnz s ASP 87 Cb -0.81 -0.98 0.32 0.00 -0.30 0.00 0.00 42.92 41.14 2rnz s ASP 87 CO 0.43 -1.61 1.04 -1.83 -0.17 0.00 0.00 175.17 173.03 2rnz s GLU 88 N -5.21 -1.84 0.00 4.34 4.04 -1.26 -5.26 118.70 113.51 2rnz s GLU 88 Ca 0.61 0.04 0.00 0.00 0.04 0.00 0.00 54.97 55.66 2rnz s GLU 88 Cb -0.10 -1.51 0.00 0.00 0.02 0.00 0.00 34.13 32.54 2rnz s GLU 88 CO 0.44 -4.14 0.29 -0.40 -1.84 0.00 0.00 175.26 169.61