#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1efi n PRO 2 N 0.00 1.21 0.02 0.00 -0.04 -1.26 -4.94 135.00 129.99 1efi n PRO 2 Ca 0.00 0.47 0.03 0.00 -0.04 0.00 0.00 63.50 63.96 1efi n PRO 2 Cb 0.00 -2.51 -0.09 0.00 -0.04 0.00 0.00 33.50 30.86 1efi n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1efi n GLN 3 N -1.65 0.64 -4.11 0.54 1.13 -1.26 -4.96 117.38 107.71 1efi n GLN 3 Ca 0.15 0.08 -0.09 0.00 -1.94 0.00 0.00 57.00 55.19 1efi n GLN 3 Cb 0.47 -1.71 -0.09 0.00 0.11 0.00 0.00 30.24 29.02 1efi n GLN 3 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1efi s THR 4 N -3.09 0.11 0.31 5.09 -4.23 -1.26 -5.04 115.64 107.53 1efi s THR 4 Ca -0.04 -1.80 0.01 0.00 -1.18 0.00 0.00 61.69 58.67 1efi s THR 4 Cb 0.10 -1.95 0.20 0.00 1.34 0.00 0.00 72.50 72.19 1efi s THR 4 CO 0.83 -0.49 1.91 -0.29 -0.54 0.00 0.00 174.62 176.03 1efi h ILE 5 N 2.84 1.20 -0.54 2.99 2.10 -1.96 -0.98 117.51 123.16 1efi h ILE 5 Ca -0.34 -0.60 -0.12 0.00 1.08 0.00 0.00 64.86 64.88 1efi h ILE 5 Cb 1.20 0.50 -0.02 0.00 -1.09 0.00 0.00 36.82 37.41 1efi h ILE 5 CO 0.58 0.24 -0.12 0.74 -1.08 0.00 0.00 178.15 178.51 1efi h THR 6 N 0.81 1.27 -0.43 2.19 2.02 -1.98 0.12 112.91 116.90 1efi h THR 6 Ca 0.20 -1.28 -0.09 0.00 0.77 0.00 0.00 66.41 66.01 1efi h THR 6 Cb 0.13 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1efi h THR 6 CO -0.02 0.45 -0.06 -0.08 0.37 0.00 0.00 175.52 176.18 1efi h GLU 7 N 0.91 0.80 -0.25 6.66 4.81 -1.85 -1.70 114.58 123.98 1efi h GLU 7 Ca 0.14 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1efi h GLU 7 Cb 0.69 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1efi h GLU 7 CO 0.05 0.90 0.11 1.25 -0.73 0.00 0.00 179.01 180.59 1efi h LEU 8 N 0.63 0.33 -0.96 1.64 6.46 -0.96 -3.02 115.31 119.43 1efi h LEU 8 Ca 0.11 -0.15 0.06 0.00 -0.12 0.00 0.00 57.88 57.78 1efi h LEU 8 Cb 0.58 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.36 1efi h LEU 8 CO 0.03 0.39 0.62 0.00 -0.62 0.00 0.00 178.44 178.87 1efi n SER 10 N -4.51 0.36 0.00 0.00 7.64 -0.66 -1.65 113.62 114.80 1efi n SER 10 Ca 0.14 0.61 0.12 0.00 1.01 0.00 0.00 58.87 60.75 1efi n SER 10 Cb 0.15 -0.68 0.55 0.00 -1.01 0.00 0.00 64.21 63.23 1efi n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1efi n GLU 11 N -1.92 0.08 -4.28 1.43 1.02 -0.53 -4.87 120.64 111.57 1efi n GLU 11 Ca 0.01 0.07 -0.24 0.00 -0.02 0.00 0.00 57.16 56.99 1efi n GLU 11 Cb 0.14 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.98 1efi n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1efi s TYR 12 N -2.91 2.63 0.17 -0.32 1.51 -0.66 -5.13 117.35 112.64 1efi s TYR 12 Ca 0.15 -0.32 -0.06 0.00 -1.01 0.00 0.00 57.07 55.83 1efi s TYR 12 Cb 0.16 -1.35 -0.06 0.00 -0.11 0.00 0.00 41.96 40.60 1efi s TYR 12 CO 0.44 0.53 0.42 0.50 -1.11 0.00 0.00 175.55 176.33 1efi s ARG 13 N -3.71 3.66 -1.79 -0.62 3.52 -1.26 -4.31 118.95 114.43 1efi s ARG 13 Ca 0.34 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.92 1efi s ARG 13 Cb -0.04 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.56 1efi s ARG 13 CO 0.20 0.42 0.00 0.09 -0.81 0.00 0.00 175.30 175.20 1efi n ASN 14 N -0.04 -5.84 -4.43 -2.12 5.03 -1.26 -4.96 115.26 101.64 1efi n ASN 14 Ca -0.02 0.01 -0.24 0.00 0.87 0.00 0.00 54.58 55.21 1efi n ASN 14 Cb 0.52 -4.87 -0.10 0.00 -1.02 0.00 0.00 39.78 34.31 1efi n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1efi s THR 15 N -3.02 2.29 0.02 3.41 -4.23 -1.26 -0.56 115.64 112.30 1efi s THR 15 Ca 0.00 -2.27 -0.28 0.00 -1.18 0.00 0.00 61.69 57.96 1efi s THR 15 Cb 0.00 -2.19 0.07 0.00 1.34 0.00 0.00 72.50 71.72 1efi s THR 15 CO 0.00 -0.37 0.68 0.00 -0.54 0.00 0.00 174.62 174.39 1efi s GLN 16 N -3.31 1.10 -0.05 3.99 -2.07 -0.45 -4.92 119.66 113.94 1efi s GLN 16 Ca 0.26 -0.05 -0.18 0.00 -1.82 0.00 0.00 55.36 53.57 1efi s GLN 16 Cb -0.05 0.51 -0.05 0.00 -1.09 0.00 0.00 33.01 32.34 1efi s GLN 16 CO 0.12 -0.41 0.48 0.42 -1.32 0.00 0.00 175.29 174.59 1efi s ILE 17 N -2.24 5.07 -0.21 3.63 -1.09 -1.26 -1.30 121.20 123.80 1efi s ILE 17 Ca -0.05 0.99 -0.03 0.00 -2.23 0.00 0.00 60.65 59.33 1efi s ILE 17 Cb -0.00 -3.81 -0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1efi s ILE 17 CO -0.00 0.43 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.75 1efi s TYR 18 N -0.09 2.92 -0.45 3.97 1.51 0.45 -4.99 117.35 120.67 1efi s TYR 18 Ca 0.26 -1.05 -0.25 0.00 -1.01 0.00 0.00 57.07 55.02 1efi s TYR 18 Cb -0.16 -2.07 0.03 0.00 -0.11 0.00 0.00 41.96 39.65 1efi s TYR 18 CO 0.13 -0.58 0.92 0.99 -1.11 0.00 0.00 175.55 175.90 1efi s THR 19 N 1.41 4.49 -0.23 -0.71 2.01 -1.26 -1.38 115.64 119.97 1efi s THR 19 Ca 0.05 0.76 -0.18 0.00 0.31 0.00 0.00 61.69 62.63 1efi s THR 19 Cb -0.14 -4.42 -0.16 0.00 0.01 0.00 0.00 72.50 67.79 1efi s THR 19 CO -0.05 -0.81 -0.01 -0.38 -0.69 0.00 0.00 174.62 172.68 1efi n ILE 20 N 6.38 1.53 -4.03 1.82 -0.00 0.24 -4.99 119.36 120.30 1efi n ILE 20 Ca 0.06 -0.13 -0.31 0.00 -0.00 0.00 0.00 62.75 62.37 1efi n ILE 20 Cb 0.48 -2.02 -0.03 0.00 -0.00 0.00 0.00 39.64 38.08 1efi n ILE 20 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1efi n ASN 21 N -4.38 -1.34 -3.52 4.38 5.15 0.05 -4.93 115.26 110.68 1efi n ASN 21 Ca -0.38 -1.13 -0.09 0.00 -0.60 0.00 0.00 54.58 52.38 1efi n ASN 21 Cb 0.72 -2.48 -0.03 0.00 -0.53 0.00 0.00 39.78 37.47 1efi n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1efi s ASP 22 N -4.10 -0.38 0.68 1.20 2.15 -0.70 -4.93 116.67 110.60 1efi s ASP 22 Ca 0.15 0.09 -0.11 0.00 0.43 0.00 0.00 52.55 53.12 1efi s ASP 22 Cb -0.07 0.38 0.01 0.00 -0.30 0.00 0.00 42.92 42.93 1efi s ASP 22 CO 0.93 -0.58 1.07 -1.59 -0.17 0.00 0.00 175.17 174.83 1efi s LYS 23 N -2.72 2.96 0.18 4.34 -2.85 -1.26 -0.93 119.74 119.46 1efi s LYS 23 Ca 0.03 0.45 -0.30 0.00 -1.00 0.00 0.00 55.97 55.15 1efi s LYS 23 Cb -0.01 -2.05 -0.08 0.00 -2.06 0.00 0.00 37.83 33.63 1efi s LYS 23 CO -0.07 -0.94 1.24 0.42 0.10 0.00 0.00 175.35 176.11 1efi s ILE 24 N -3.30 3.48 -0.14 3.79 1.01 -1.26 -4.76 121.20 120.02 1efi s ILE 24 Ca 0.57 1.21 -0.25 0.00 0.00 0.00 0.00 60.65 62.18 1efi s ILE 24 Cb -0.11 -3.77 -0.22 0.00 0.01 0.00 0.00 42.46 38.37 1efi s ILE 24 CO 0.51 0.18 0.63 0.25 0.00 0.00 0.00 174.94 176.51 1efi h LEU 25 N 5.49 0.00 -8.26 2.97 5.85 -0.90 -3.48 115.31 116.99 1efi h LEU 25 Ca -0.44 -0.83 -0.25 0.00 0.84 0.00 0.00 57.88 57.20 1efi h LEU 25 Cb 1.21 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 42.06 1efi h LEU 25 CO 0.77 0.95 -0.72 -0.94 -0.34 0.00 0.00 178.44 178.16 1efi s SER 26 N -6.16 0.91 -0.08 1.25 1.04 -1.08 -4.97 113.70 104.62 1efi s SER 26 Ca -0.17 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.55 1efi s SER 26 Cb -0.02 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.18 1efi s SER 26 CO 0.59 -0.31 -0.10 -0.47 0.98 0.00 0.00 173.24 173.92 1efi s TYR 27 N -2.25 1.41 -0.07 5.02 5.04 -1.26 -2.30 117.35 122.94 1efi s TYR 27 Ca -0.02 -0.57 0.02 0.00 -2.44 0.00 0.00 57.07 54.06 1efi s TYR 27 Cb -0.04 -1.08 0.01 0.00 0.35 0.00 0.00 41.96 41.20 1efi s TYR 27 CO -0.02 -0.33 -0.12 0.99 -1.34 0.00 0.00 175.55 174.73 1efi s THR 28 N 0.95 1.13 -0.06 4.34 2.01 0.80 -4.98 115.64 119.83 1efi s THR 28 Ca -0.09 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1efi s THR 28 Cb -0.15 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.33 1efi s THR 28 CO 0.00 0.36 -0.12 -0.70 -0.69 0.00 0.00 174.62 173.47 1efi s GLU 29 N 0.73 1.58 -0.05 4.92 2.12 -1.26 -0.06 118.70 126.67 1efi s GLU 29 Ca -0.13 -0.39 0.05 0.00 0.36 0.00 0.00 54.97 54.85 1efi s GLU 29 Cb -0.16 -1.33 -0.01 0.00 0.26 0.00 0.00 34.13 32.90 1efi s GLU 29 CO 0.03 0.04 -0.21 0.45 -0.54 0.00 0.00 175.26 175.03 1efi s SER 30 N 0.60 2.56 -0.01 -1.70 0.15 -0.24 -4.99 113.70 110.07 1efi s SER 30 Ca -0.13 -0.42 0.08 0.00 0.70 0.00 0.00 55.95 56.18 1efi s SER 30 Cb -0.15 -0.71 0.22 0.00 -1.71 0.00 0.00 66.02 63.67 1efi s SER 30 CO 0.03 0.19 1.18 1.15 1.20 0.00 0.00 173.24 177.00 1efi n MET 31 N 3.07 2.90 -2.10 5.44 0.00 -1.26 -2.35 117.12 122.81 1efi n MET 31 Ca -0.18 -1.92 -0.39 0.00 0.00 0.00 0.00 57.70 55.21 1efi n MET 31 Cb 0.53 -1.21 -0.01 0.00 0.00 0.00 0.00 33.22 32.53 1efi n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1efi s ALA 32 N -1.07 3.26 0.21 3.17 0.00 -1.26 -4.84 121.76 121.23 1efi s ALA 32 Ca 0.17 1.18 -0.32 0.00 0.00 0.00 0.00 51.96 52.99 1efi s ALA 32 Cb 0.09 -3.47 -0.13 0.00 0.00 0.00 0.00 23.12 19.61 1efi s ALA 32 CO 0.11 -0.75 1.52 0.41 0.00 0.00 0.00 175.76 177.04 1efi n GLY 33 N 0.68 1.03 3.22 0.00 0.00 -1.26 -0.89 105.19 107.97 1efi n GLY 33 Ca 0.03 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1efi n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1efi n LYS 34 N 2.72 -0.10 -2.08 1.61 4.76 -1.26 -4.79 118.16 119.02 1efi n LYS 34 Ca 0.14 0.03 -0.04 0.00 -2.87 0.00 0.00 58.31 55.56 1efi n LYS 34 Cb 0.31 -3.30 0.06 0.00 -1.84 0.00 0.00 35.03 30.26 1efi n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1efi n ARG 35 N -1.94 1.75 -2.43 1.97 3.00 -0.07 -4.99 116.66 113.95 1efi n ARG 35 Ca 0.00 -3.29 -0.37 0.00 -0.01 0.00 0.00 57.85 54.17 1efi n ARG 35 Cb 0.03 -1.40 -0.03 0.00 0.00 0.00 0.00 32.46 31.06 1efi n ARG 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1efi s GLU 36 N -2.83 3.35 0.33 5.56 8.01 -1.14 -4.35 118.70 127.64 1efi s GLU 36 Ca 0.35 -1.00 -0.05 0.00 0.01 0.00 0.00 54.97 54.28 1efi s GLU 36 Cb 0.36 -5.30 0.01 0.00 -4.31 0.00 0.00 34.13 24.89 1efi s GLU 36 CO -0.06 -2.54 0.50 0.00 0.01 0.00 0.00 175.26 173.17 1efi s MET 37 N 5.44 1.87 -0.02 1.61 0.23 -0.99 -4.24 119.30 123.20 1efi s MET 37 Ca 0.53 -1.65 0.04 0.00 -1.03 0.00 0.00 55.69 53.59 1efi s MET 37 Cb -0.01 0.46 -0.01 0.00 -1.53 0.00 0.00 34.83 33.74 1efi s MET 37 CO -0.06 -0.78 -0.15 0.08 -2.03 0.00 0.00 175.02 172.08 1efi s VAL 38 N -3.15 1.16 -0.06 5.16 1.01 -1.22 -1.08 120.40 122.23 1efi s VAL 38 Ca 0.28 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1efi s VAL 38 Cb -0.01 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.41 1efi s VAL 38 CO 0.17 0.33 -0.11 -0.63 0.00 0.00 0.00 175.10 174.87 1efi s ILE 39 N -0.27 1.01 0.19 2.22 1.01 0.91 -1.39 121.20 124.88 1efi s ILE 39 Ca 0.04 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.37 1efi s ILE 39 Cb -0.06 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1efi s ILE 39 CO -0.00 0.32 -0.18 0.27 0.00 0.00 0.00 174.94 175.35 1efi s ILE 40 N 0.61 1.96 0.07 2.92 -4.36 -0.17 -0.14 121.20 122.09 1efi s ILE 40 Ca -0.12 -2.07 -0.02 0.00 -0.26 0.00 0.00 60.65 58.18 1efi s ILE 40 Cb -0.15 -1.99 -0.03 0.00 1.25 0.00 0.00 42.46 41.54 1efi s ILE 40 CO 0.03 -0.37 0.02 0.42 0.24 0.00 0.00 174.94 175.28 1efi s THR 41 N -2.27 0.19 0.17 8.37 -4.23 -0.97 -0.84 115.64 116.05 1efi s THR 41 Ca 0.20 -1.73 0.06 0.00 -1.18 0.00 0.00 61.69 59.03 1efi s THR 41 Cb -0.05 -1.58 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 1efi s THR 41 CO 0.08 -0.86 -0.11 -0.36 -0.54 0.00 0.00 174.62 172.83 1efi s PHE 42 N -3.93 1.44 0.64 3.99 0.08 -0.69 -0.16 117.98 119.34 1efi s PHE 42 Ca 0.10 -0.70 0.28 0.00 0.12 0.00 0.00 56.93 56.73 1efi s PHE 42 Cb 0.07 -0.71 1.50 0.00 -0.57 0.00 0.00 43.02 43.31 1efi s PHE 42 CO -0.08 0.18 1.87 0.87 -0.10 0.00 0.00 175.22 177.95 1efi h LYS 43 N 2.69 0.00 0.00 0.44 1.57 -1.90 0.19 116.57 119.55 1efi h LYS 43 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1efi h LYS 43 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1efi h LYS 43 CO 0.63 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.38 1efi n SER 44 N -3.17 0.70 0.00 0.86 3.41 -1.26 -4.89 113.62 109.26 1efi n SER 44 Ca 0.02 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1efi n SER 44 Cb 0.52 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1efi n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1efi n GLY 45 N 0.14 0.79 3.85 5.00 0.00 0.65 -5.06 105.19 110.55 1efi n GLY 45 Ca 0.02 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1efi n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1efi s GLU 46 N -0.61 3.88 -0.01 1.61 2.02 -1.25 -4.92 118.70 119.42 1efi s GLU 46 Ca 0.00 0.35 0.05 0.00 0.02 0.00 0.00 54.97 55.39 1efi s GLU 46 Cb 0.00 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 1efi s GLU 46 CO 0.00 0.54 -0.17 0.99 0.02 0.00 0.00 175.26 176.64 1efi s THR 47 N -1.39 1.32 0.07 3.63 2.01 -1.26 -1.70 115.64 118.32 1efi s THR 47 Ca 0.34 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 1efi s THR 47 Cb -0.15 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1efi s THR 47 CO 0.18 0.37 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.10 1efi s PHE 48 N -0.36 0.60 0.10 4.92 0.08 -0.02 -4.03 117.98 119.27 1efi s PHE 48 Ca 0.06 -1.07 0.01 0.00 0.12 0.00 0.00 56.93 56.05 1efi s PHE 48 Cb -0.07 -0.42 -0.04 0.00 -0.57 0.00 0.00 43.02 41.92 1efi s PHE 48 CO -0.00 -0.37 -0.05 1.14 -0.10 0.00 0.00 175.22 175.83 1efi s GLN 49 N -3.93 0.83 -0.28 0.44 -2.07 -0.70 -1.00 119.66 112.95 1efi s GLN 49 Ca 0.10 -1.34 -0.06 0.00 -1.82 0.00 0.00 55.36 52.23 1efi s GLN 49 Cb 0.08 -0.13 0.00 0.00 -1.09 0.00 0.00 33.01 31.87 1efi s GLN 49 CO -0.08 -0.05 0.06 0.08 -1.32 0.00 0.00 175.29 173.98 1efi s VAL 50 N -3.69 3.90 0.82 3.63 1.01 -0.49 -1.26 120.40 124.32 1efi s VAL 50 Ca 0.13 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 1efi s VAL 50 Cb 0.06 -2.97 0.08 0.00 0.00 0.00 0.00 36.38 33.55 1efi s VAL 50 CO -0.04 0.14 1.11 -0.62 0.00 0.00 0.00 175.10 175.68 1efi n GLU 51 N 4.86 0.12 -2.19 2.72 1.02 -1.26 -3.41 120.64 122.49 1efi n GLU 51 Ca -0.15 0.11 -0.41 0.00 -0.02 0.00 0.00 57.16 56.69 1efi n GLU 51 Cb 0.48 -2.36 -0.03 0.00 -0.02 0.00 0.00 31.44 29.52 1efi n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1efi s VAL 52 N -2.16 2.97 0.29 2.62 1.01 -1.26 -4.89 120.40 118.99 1efi s VAL 52 Ca 0.71 0.91 -0.30 0.00 0.00 0.00 0.00 61.98 63.30 1efi s VAL 52 Cb -0.29 -3.58 -0.12 0.00 0.00 0.00 0.00 36.38 32.40 1efi s VAL 52 CO 0.53 0.19 1.54 -2.65 0.00 0.00 0.00 175.10 174.71 1efi n PRO 53 N 1.52 2.57 -1.95 2.72 -0.02 -1.26 -4.97 135.00 133.61 1efi n PRO 53 Ca 0.02 0.91 -0.03 0.00 -2.02 0.00 0.00 63.50 62.38 1efi n PRO 53 Cb 0.42 -2.66 -0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1efi n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1efi n GLY 54 N 1.95 2.42 0.33 -1.23 0.00 -1.26 -5.02 105.19 102.37 1efi n GLY 54 Ca 0.08 -1.28 0.17 0.00 0.00 0.00 0.00 46.02 44.99 1efi n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1efi h SER 55 N 0.48 0.00 0.97 1.61 4.64 -2.03 -0.51 113.55 118.71 1efi h SER 55 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1efi h SER 55 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1efi h SER 55 CO 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 1efi n GLN 56 N -3.76 0.17 -3.53 4.77 0.00 -1.26 -4.75 117.38 109.03 1efi n GLN 56 Ca 0.01 0.29 -0.36 0.00 0.00 0.00 0.00 57.00 56.94 1efi n GLN 56 Cb 0.29 -1.76 -0.06 0.00 0.00 0.00 0.00 30.24 28.71 1efi n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1efi s HIS 57 N -3.17 3.63 0.34 2.61 3.76 -0.20 -5.09 115.29 117.16 1efi s HIS 57 Ca 0.08 0.88 0.04 0.00 -0.15 0.00 0.00 55.06 55.91 1efi s HIS 57 Cb 0.11 -2.22 -0.02 0.00 1.11 0.00 0.00 32.58 31.57 1efi s HIS 57 CO 0.46 0.54 0.50 0.96 -0.85 0.00 0.00 174.74 176.34 1efi s ILE 58 N -1.32 4.46 0.30 0.60 -4.36 -1.26 -4.92 121.20 114.70 1efi s ILE 58 Ca 0.31 -0.83 0.06 0.00 -0.26 0.00 0.00 60.65 59.93 1efi s ILE 58 Cb -0.15 -3.58 0.30 0.00 1.25 0.00 0.00 42.46 40.28 1efi s ILE 58 CO 0.17 -0.28 1.78 0.44 0.24 0.00 0.00 174.94 177.29 1efi h ASP 59 N 0.84 0.79 0.41 4.36 3.32 -1.98 -0.11 116.42 124.04 1efi h ASP 59 Ca -0.48 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1efi h ASP 59 Cb 1.24 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1efi h ASP 59 CO 0.57 0.29 0.00 -1.54 -1.72 0.00 0.00 179.24 176.84 1efi n SER 60 N -4.75 0.46 0.03 6.45 3.41 -1.26 -2.20 113.62 115.76 1efi n SER 60 Ca 0.23 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.61 1efi n SER 60 Cb 0.56 -0.73 0.16 0.00 -0.26 0.00 0.00 64.21 63.94 1efi n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1efi n GLN 61 N -2.05 0.20 -0.05 4.33 6.02 -0.06 -4.35 117.38 121.43 1efi n GLN 61 Ca 0.01 0.04 -0.08 0.00 -0.01 0.00 0.00 57.00 56.96 1efi n GLN 61 Cb 0.14 -1.60 -0.02 0.00 1.02 0.00 0.00 30.24 29.78 1efi n GLN 61 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1efi h LYS 62 N 0.00 0.13 0.00 -1.09 1.57 -1.52 0.10 116.57 115.77 1efi h LYS 62 Ca 0.00 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1efi h LYS 62 Cb 0.66 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1efi h LYS 62 CO 0.00 0.09 -0.58 0.87 -0.57 0.00 0.00 179.45 179.26 1efi h LYS 63 N 0.13 0.00 -0.39 3.15 1.57 -1.80 -3.03 116.57 116.21 1efi h LYS 63 Ca 0.10 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1efi h LYS 63 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1efi h LYS 63 CO -0.14 0.58 -0.09 0.00 -0.57 0.00 0.00 179.45 179.23 1efi h ALA 64 N 1.42 1.11 -0.36 3.86 0.00 -1.53 0.19 119.26 123.95 1efi h ALA 64 Ca -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1efi h ALA 64 Cb 1.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1efi h ALA 64 CO 0.08 0.56 0.07 0.82 0.00 0.00 0.00 179.25 180.77 1efi h ILE 65 N 0.62 1.23 -0.40 0.00 2.04 -0.71 -1.31 117.51 118.99 1efi h ILE 65 Ca 0.11 -0.81 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 1efi h ILE 65 Cb 0.52 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1efi h ILE 65 CO 0.03 0.28 -0.08 -0.33 0.00 0.00 0.00 178.15 178.05 1efi h GLU 66 N 0.43 0.68 -0.34 2.37 4.39 -1.35 -2.57 114.58 118.19 1efi h GLU 66 Ca 0.11 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 1efi h GLU 66 Cb 0.34 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1efi h GLU 66 CO 0.00 0.75 0.04 -0.09 -1.16 0.00 0.00 179.01 178.55 1efi h ARG 67 N 0.62 0.58 -0.77 2.33 2.43 -0.80 -1.91 114.38 116.87 1efi h ARG 67 Ca 0.12 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1efi h ARG 67 Cb 0.51 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 1efi h ARG 67 CO 0.03 0.67 0.49 1.98 -1.51 0.00 0.00 179.97 181.63 1efi h MET 68 N 0.41 0.93 -0.33 0.20 4.05 -1.03 0.72 114.93 119.87 1efi h MET 68 Ca 0.10 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.39 1efi h MET 68 Cb 0.38 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 1efi h MET 68 CO 0.01 0.62 -0.10 0.87 0.23 0.00 0.00 176.91 178.54 1efi h LYS 69 N 0.96 0.56 -0.45 0.39 1.57 -1.27 -0.38 116.57 117.96 1efi h LYS 69 Ca 0.31 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1efi h LYS 69 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1efi h LYS 69 CO -0.11 0.66 0.08 -0.44 -0.57 0.00 0.00 179.45 179.07 1efi h ASP 70 N 0.52 0.70 -0.20 0.86 3.32 -0.42 -2.02 116.42 119.17 1efi h ASP 70 Ca 0.10 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1efi h ASP 70 Cb 0.49 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1efi h ASP 70 CO 0.03 0.78 0.10 0.74 -1.72 0.00 0.00 179.24 179.17 1efi h THR 71 N 0.60 1.12 -1.00 0.35 2.02 -0.43 -2.03 112.91 113.53 1efi h THR 71 Ca 0.14 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 67.01 1efi h THR 71 Cb 0.37 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 1efi h THR 71 CO 0.01 0.12 0.66 -0.07 0.37 0.00 0.00 175.52 176.60 1efi h LEU 72 N 0.21 1.13 0.44 2.58 3.38 -0.83 0.16 115.31 122.38 1efi h LEU 72 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1efi h LEU 72 Cb 0.09 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1efi h LEU 72 CO -0.01 0.80 -0.21 -0.09 0.09 0.00 0.00 178.44 179.02 1efi h ARG 73 N 1.32 -0.57 -0.19 1.13 2.43 -1.13 -0.14 114.38 117.23 1efi h ARG 73 Ca 0.38 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.54 1efi h ARG 73 Cb -0.09 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1efi h ARG 73 CO -0.10 -0.30 -0.10 0.97 -1.51 0.00 0.00 179.97 178.93 1efi h ILE 74 N -0.76 1.18 -0.57 1.20 6.09 -1.22 -0.39 117.51 123.03 1efi h ILE 74 Ca -0.06 -0.76 -0.10 0.00 -1.37 0.00 0.00 64.86 62.57 1efi h ILE 74 Cb 0.53 1.14 -0.02 0.00 0.47 0.00 0.00 36.82 38.95 1efi h ILE 74 CO 0.10 0.24 -0.04 0.74 -3.07 0.00 0.00 178.15 176.12 1efi h THR 75 N 0.28 1.27 -0.04 2.19 2.02 -0.55 -1.82 112.91 116.27 1efi h THR 75 Ca 0.06 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.04 1efi h THR 75 Cb 0.35 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1efi h THR 75 CO 0.02 0.43 -0.00 0.22 0.37 0.00 0.00 175.52 176.56 1efi h TYR 76 N 0.94 0.08 0.00 3.16 3.20 -0.13 -1.51 116.97 122.70 1efi h TYR 76 Ca 0.16 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 1efi h TYR 76 Cb 0.60 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1efi h TYR 76 CO 0.04 0.36 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.68 1efi h LEU 77 N -0.23 0.00 -1.68 2.82 3.38 -1.04 -2.63 115.31 115.93 1efi h LEU 77 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1efi h LEU 77 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1efi h LEU 77 CO 0.00 0.17 0.00 0.35 0.09 0.00 0.00 178.44 179.05 1efi n THR 78 N -4.13 0.20 -2.91 0.22 -2.24 -0.69 -4.94 114.28 99.78 1efi n THR 78 Ca -0.02 -0.49 -0.21 0.00 -2.27 0.00 0.00 64.05 61.05 1efi n THR 78 Cb 0.24 0.91 0.01 0.00 -2.10 0.00 0.00 70.33 69.40 1efi n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1efi n GLU 79 N 0.95 -3.70 -2.37 -0.78 1.02 -0.93 -4.93 120.64 109.90 1efi n GLU 79 Ca 0.17 0.80 -0.41 0.00 -0.02 0.00 0.00 57.16 57.70 1efi n GLU 79 Cb 0.50 -5.56 -0.03 0.00 -0.02 0.00 0.00 31.44 26.32 1efi n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1efi s THR 80 N -3.03 3.54 -0.04 2.62 2.01 -0.61 -4.82 115.64 115.30 1efi s THR 80 Ca 0.23 1.31 -0.30 0.00 0.31 0.00 0.00 61.69 63.24 1efi s THR 80 Cb -0.11 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1efi s THR 80 CO 0.29 0.22 1.13 -0.75 -0.69 0.00 0.00 174.62 174.81 1efi s LYS 81 N -0.34 4.41 0.02 4.92 2.20 -1.26 -4.35 119.74 125.33 1efi s LYS 81 Ca 0.52 1.59 -0.18 0.00 -0.36 0.00 0.00 55.97 57.55 1efi s LYS 81 Cb -0.33 -3.50 -0.06 0.00 -1.51 0.00 0.00 37.83 32.43 1efi s LYS 81 CO 0.37 -0.33 0.50 0.42 -0.36 0.00 0.00 175.35 175.95 1efi s ILE 82 N 1.81 4.91 0.00 5.43 1.01 -0.11 -4.11 121.20 130.14 1efi s ILE 82 Ca 0.54 1.06 0.00 0.00 0.00 0.00 0.00 60.65 62.25 1efi s ILE 82 Cb -0.24 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1efi s ILE 82 CO 0.23 0.52 0.00 -0.67 0.00 0.00 0.00 174.94 175.02 1efi n ASP 83 N 2.09 0.00 -4.29 3.58 -0.08 0.81 -0.77 116.55 117.89 1efi n ASP 83 Ca -0.11 0.16 -0.17 0.00 -1.51 0.00 0.00 54.79 53.15 1efi n ASP 83 Cb 0.51 -0.28 -0.10 0.00 2.34 0.00 0.00 41.12 43.59 1efi n ASP 83 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1efi s LYS 84 N -0.55 1.16 -0.06 -0.67 1.02 -1.13 -0.60 119.74 118.92 1efi s LYS 84 Ca 0.00 -1.44 0.03 0.00 0.02 0.00 0.00 55.97 54.58 1efi s LYS 84 Cb 0.00 -0.94 0.01 0.00 -0.52 0.00 0.00 37.83 36.38 1efi s LYS 84 CO 0.00 0.16 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.95 1efi s LEU 85 N -2.99 1.70 -0.29 3.17 1.43 -0.48 -1.02 118.68 120.21 1efi s LEU 85 Ca 0.17 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 1efi s LEU 85 Cb -0.01 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 1efi s LEU 85 CO 0.04 0.06 0.18 0.00 0.23 0.00 0.00 176.35 176.85 1efi s VAL 87 N 1.72 1.50 -0.06 0.00 -7.23 -0.42 -0.19 120.40 115.71 1efi s VAL 87 Ca 0.07 -1.63 -0.24 0.00 -1.81 0.00 0.00 61.98 58.36 1efi s VAL 87 Cb -0.16 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 1efi s VAL 87 CO 0.09 -0.26 0.74 0.26 -0.31 0.00 0.00 175.10 175.63 1efi s TRP 88 N -1.67 3.59 -2.04 2.82 0.51 0.47 -1.35 118.94 121.27 1efi s TRP 88 Ca 0.07 1.31 0.20 0.00 -2.12 0.00 0.00 56.10 55.57 1efi s TRP 88 Cb -0.08 -2.85 0.56 0.00 -0.81 0.00 0.00 33.47 30.30 1efi s TRP 88 CO 0.04 0.07 1.47 0.27 -0.51 0.00 0.00 176.95 178.29 1efi n ASN 89 N 3.81 3.41 -1.80 2.95 0.23 0.28 -2.04 115.26 122.10 1efi n ASN 89 Ca -0.00 -1.99 -0.06 0.00 -0.53 0.00 0.00 54.58 52.00 1efi n ASN 89 Cb 0.51 -0.41 0.28 0.00 -2.08 0.00 0.00 39.78 38.08 1efi n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1efi n ASN 90 N 1.37 4.34 -3.97 0.53 6.94 -1.26 -4.89 115.26 118.31 1efi n ASN 90 Ca 0.21 -3.31 -0.09 0.00 -0.02 0.00 0.00 54.58 51.37 1efi n ASN 90 Cb 0.54 -0.72 -0.11 0.00 -2.36 0.00 0.00 39.78 37.14 1efi n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1efi s LYS 91 N -3.04 0.37 -0.09 -3.83 3.01 -1.26 -5.08 119.74 109.82 1efi s LYS 91 Ca 0.53 -0.64 -0.01 0.00 -1.01 0.00 0.00 55.97 54.84 1efi s LYS 91 Cb 0.43 0.14 0.03 0.00 -1.01 0.00 0.00 37.83 37.41 1efi s LYS 91 CO 0.11 -0.07 -0.05 0.99 0.51 0.00 0.00 175.35 176.84 1efi s THR 92 N -1.71 0.78 0.95 2.17 2.01 -1.26 -2.67 115.64 115.91 1efi s THR 92 Ca -0.13 -0.14 -0.12 0.00 0.31 0.00 0.00 61.69 61.61 1efi s THR 92 Cb -0.08 -0.84 0.16 0.00 0.01 0.00 0.00 72.50 71.75 1efi s THR 92 CO -0.02 0.32 1.09 -2.16 -0.69 0.00 0.00 174.62 173.17 1efi s PRO 93 N 1.74 0.84 0.40 4.92 0.04 -1.26 -5.05 135.00 136.63 1efi s PRO 93 Ca 0.04 0.64 -0.25 0.00 0.04 0.00 0.00 61.00 61.47 1efi s PRO 93 Cb -0.13 -1.77 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 1efi s PRO 93 CO -0.06 -2.48 1.03 0.09 0.04 0.00 0.00 177.00 175.61 1efi n ASN 94 N -4.02 1.38 -4.70 6.66 5.03 -1.09 -4.52 115.26 114.00 1efi n ASN 94 Ca 0.06 1.06 -0.36 0.00 0.87 0.00 0.00 54.58 56.21 1efi n ASN 94 Cb 0.56 -1.36 -0.08 0.00 -1.02 0.00 0.00 39.78 37.88 1efi n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1efi s SER 95 N -0.69 6.24 -0.05 6.41 0.15 -0.86 -1.71 113.70 123.18 1efi s SER 95 Ca 0.62 0.27 -0.30 0.00 0.70 0.00 0.00 55.95 57.24 1efi s SER 95 Cb -0.57 -2.13 -0.05 0.00 -1.71 0.00 0.00 66.02 61.56 1efi s SER 95 CO 0.57 0.10 1.51 -0.63 1.20 0.00 0.00 173.24 175.99 1efi s ILE 96 N 0.73 3.71 -0.23 6.45 1.01 -0.39 -0.39 121.20 132.10 1efi s ILE 96 Ca 0.11 0.96 0.02 0.00 0.00 0.00 0.00 60.65 61.73 1efi s ILE 96 Cb -0.13 -3.62 -0.15 0.00 0.01 0.00 0.00 42.46 38.58 1efi s ILE 96 CO 0.02 -0.06 -0.20 0.00 0.00 0.00 0.00 174.94 174.71 1efi n ALA 97 N 6.43 1.51 -3.03 9.38 0.00 0.73 -4.88 120.51 130.66 1efi n ALA 97 Ca 0.15 -0.97 -0.11 0.00 0.00 0.00 0.00 53.44 52.51 1efi n ALA 97 Cb 0.43 -0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 1efi n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1efi s ALA 98 N -2.45 -0.95 0.02 0.00 0.00 -1.00 -4.98 121.76 112.40 1efi s ALA 98 Ca -0.30 0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.69 1efi s ALA 98 Cb 0.08 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 1efi s ALA 98 CO 0.53 -0.61 -0.04 -1.50 0.00 0.00 0.00 175.76 174.13 1efi s ILE 99 N -3.56 0.26 0.02 0.00 2.07 -1.26 -1.46 121.20 117.27 1efi s ILE 99 Ca 0.01 -0.84 0.03 0.00 -1.41 0.00 0.00 60.65 58.45 1efi s ILE 99 Cb 0.01 -0.36 -0.02 0.00 0.13 0.00 0.00 42.46 42.23 1efi s ILE 99 CO -0.10 -0.37 -0.09 -0.94 -1.91 0.00 0.00 174.94 171.52 1efi s SER 100 N -1.28 1.10 -0.03 4.50 1.04 -0.19 -4.98 113.70 113.86 1efi s SER 100 Ca -0.11 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 55.97 1efi s SER 100 Cb -0.09 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 65.99 1efi s SER 100 CO -0.00 -0.02 -0.06 -0.04 0.98 0.00 0.00 173.24 174.10 1efi s MET 101 N -0.91 0.72 -0.03 4.02 -1.94 -1.26 -0.14 119.30 119.76 1efi s MET 101 Ca -0.02 -0.18 0.03 0.00 -1.71 0.00 0.00 55.69 53.82 1efi s MET 101 Cb -0.07 -0.71 -0.00 0.00 2.01 0.00 0.00 34.83 36.06 1efi s MET 101 CO 0.00 0.03 -0.13 0.21 -0.01 0.00 0.00 175.02 175.13 1efi s LYS 102 N 0.40 1.35 0.00 2.03 2.20 -1.26 -4.89 119.74 119.58 1efi s LYS 102 Ca -0.05 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.10 1efi s LYS 102 Cb -0.09 -1.21 0.00 0.00 -1.51 0.00 0.00 37.83 35.01 1efi s LYS 102 CO 0.00 0.18 0.12 0.27 -0.36 0.00 0.00 175.35 175.57