#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nci s SER -1 N 0.00 5.30 -0.04 1.61 0.01 -1.26 -4.99 113.70 114.33 1nci s SER -1 Ca 0.00 1.75 0.09 0.00 1.31 0.00 0.00 55.95 59.11 1nci s SER -1 Cb 0.00 -2.52 0.17 0.00 0.21 0.00 0.00 66.02 63.88 1nci s SER -1 CO 0.00 -1.50 1.08 -0.67 0.41 0.00 0.00 173.24 172.56 1nci n ASP 1 N -2.82 0.81 -4.76 2.44 2.03 -1.26 -5.04 116.55 107.95 1nci n ASP 1 Ca 0.08 -2.38 -0.39 0.00 0.52 0.00 0.00 54.79 52.63 1nci n ASP 1 Cb 0.53 -0.29 0.02 0.00 -0.72 0.00 0.00 41.12 40.66 1nci n ASP 1 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1nci s TRP 2 N -0.87 2.47 -0.17 -0.67 0.52 -1.26 -4.99 118.94 113.97 1nci s TRP 2 Ca 0.15 1.34 -0.08 0.00 0.02 0.00 0.00 56.10 57.53 1nci s TRP 2 Cb 0.15 -3.81 -0.04 0.00 -1.15 0.00 0.00 33.47 28.62 1nci s TRP 2 CO -0.03 -2.73 0.11 0.08 0.02 0.00 0.00 176.95 174.41 1nci s VAL 3 N -1.27 5.26 -0.02 4.03 1.01 -1.26 -5.05 120.40 123.11 1nci s VAL 3 Ca 0.64 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 1nci s VAL 3 Cb -0.41 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1nci s VAL 3 CO 0.51 0.51 1.07 -0.63 0.00 0.00 0.00 175.10 176.56 1nci s ILE 4 N -0.11 4.55 0.45 2.22 -1.09 -1.26 -5.00 121.20 120.96 1nci s ILE 4 Ca 0.09 1.84 -0.25 0.00 -2.23 0.00 0.00 60.65 60.10 1nci s ILE 4 Cb -0.12 -4.18 -0.09 0.00 -1.58 0.00 0.00 42.46 36.50 1nci s ILE 4 CO 0.00 0.09 1.41 -2.65 -1.23 0.00 0.00 174.94 172.56 1nci n PRO 5 N 4.39 2.20 -1.72 2.79 -0.02 -1.26 -4.77 135.00 136.62 1nci n PRO 5 Ca 0.08 0.78 -0.39 0.00 -2.02 0.00 0.00 63.50 61.96 1nci n PRO 5 Cb 0.49 -2.59 0.04 0.00 -0.02 0.00 0.00 33.50 31.41 1nci n PRO 5 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1nci n PRO 6 N -0.16 1.67 -3.70 0.52 -0.02 -1.26 -4.79 135.00 127.26 1nci n PRO 6 Ca 0.05 0.61 -0.36 0.00 -2.02 0.00 0.00 63.50 61.78 1nci n PRO 6 Cb 0.41 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.32 1nci n PRO 6 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1nci s ILE 7 N -1.29 5.31 -0.25 4.25 1.01 -0.03 -5.00 121.20 125.19 1nci s ILE 7 Ca 0.69 0.16 -0.07 0.00 0.00 0.00 0.00 60.65 61.43 1nci s ILE 7 Cb -0.44 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1nci s ILE 7 CO 0.51 0.37 0.07 0.20 0.00 0.00 0.00 174.94 176.09 1nci s ASN 8 N 0.90 5.12 -0.14 3.58 0.01 -1.26 -0.28 114.94 122.87 1nci s ASN 8 Ca 0.07 -0.21 0.02 0.00 -0.71 0.00 0.00 52.86 52.04 1nci s ASN 8 Cb -0.13 -1.92 0.00 0.00 0.41 0.00 0.00 41.25 39.61 1nci s ASN 8 CO 0.03 -0.03 -0.20 -0.22 -1.51 0.00 0.00 177.10 175.17 1nci s LEU 9 N 1.59 2.26 0.41 0.60 2.96 0.27 -4.96 118.68 121.82 1nci s LEU 9 Ca 0.06 -0.54 -0.27 0.00 -0.22 0.00 0.00 54.13 53.17 1nci s LEU 9 Cb -0.15 -1.49 -0.10 0.00 0.50 0.00 0.00 46.19 44.95 1nci s LEU 9 CO 0.03 0.10 1.44 -2.65 -1.32 0.00 0.00 176.35 173.95 1nci n PRO 10 N 3.93 2.41 -2.30 0.98 -0.02 -1.26 -0.23 135.00 138.51 1nci n PRO 10 Ca -0.19 0.85 -0.38 0.00 -2.02 0.00 0.00 63.50 61.75 1nci n PRO 10 Cb 0.52 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 1nci n PRO 10 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1nci s GLU 11 N -2.24 4.13 -1.29 -0.52 2.12 0.96 -3.78 118.70 118.08 1nci s GLU 11 Ca 0.57 1.85 -0.24 0.00 0.36 0.00 0.00 54.97 57.52 1nci s GLU 11 Cb -0.47 -2.74 0.03 0.00 0.26 0.00 0.00 34.13 31.21 1nci s GLU 11 CO 0.61 -0.26 0.54 0.09 -0.54 0.00 0.00 175.26 175.70 1nci n ASN 12 N 0.21 -2.98 -4.78 -1.70 3.02 0.96 -4.92 115.26 105.08 1nci n ASN 12 Ca 0.04 -1.24 -0.33 0.00 -0.03 0.00 0.00 54.58 53.01 1nci n ASN 12 Cb 0.46 -1.99 0.03 0.00 -0.61 0.00 0.00 39.78 37.68 1nci n ASN 12 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1nci s SER 13 N -3.76 5.38 0.08 6.41 0.15 -1.25 -4.90 113.70 115.82 1nci s SER 13 Ca 0.36 1.97 0.27 0.00 0.70 0.00 0.00 55.95 59.25 1nci s SER 13 Cb -0.18 -2.55 0.84 0.00 -1.71 0.00 0.00 66.02 62.42 1nci s SER 13 CO 0.96 -1.44 1.70 0.54 1.20 0.00 0.00 173.24 176.19 1nci n ARG 14 N -2.15 0.12 0.00 5.44 1.74 -1.26 -4.39 116.66 116.17 1nci n ARG 14 Ca 0.10 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1nci n ARG 14 Cb 0.52 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 1nci n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nci n GLY 15 N 1.42 1.04 3.49 -0.13 0.00 -1.26 -4.72 105.19 105.02 1nci n GLY 15 Ca 0.06 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 1nci n GLY 15 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nci s PRO 16 N 0.00 -0.91 0.02 1.61 0.02 -1.26 -5.07 135.00 129.41 1nci s PRO 16 Ca 0.00 0.94 0.06 0.00 0.02 0.00 0.00 61.00 62.02 1nci s PRO 16 Cb 0.00 -1.55 -0.03 0.00 0.02 0.00 0.00 34.50 32.94 1nci s PRO 16 CO 0.00 -3.75 -0.18 -0.06 -0.33 0.00 0.00 177.00 172.68 1nci s PHE 17 N -2.43 2.58 0.59 6.54 0.08 -1.26 -3.58 117.98 120.50 1nci s PHE 17 Ca 0.69 -0.24 -0.18 0.00 0.12 0.00 0.00 56.93 57.31 1nci s PHE 17 Cb -0.25 -1.50 -0.03 0.00 -0.57 0.00 0.00 43.02 40.67 1nci s PHE 17 CO 0.65 0.23 1.16 -1.25 -0.10 0.00 0.00 175.22 175.91 1nci s PRO 18 N -1.29 3.03 -0.19 0.24 0.04 -1.26 -5.08 135.00 130.49 1nci s PRO 18 Ca 0.14 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.83 1nci s PRO 18 Cb -0.10 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1nci s PRO 18 CO 0.04 -1.13 -0.06 -1.14 0.04 0.00 0.00 177.00 174.76 1nci s GLN 19 N -3.47 3.43 0.28 4.56 0.74 0.33 -4.92 119.66 120.61 1nci s GLN 19 Ca 0.74 -0.62 -0.29 0.00 0.05 0.00 0.00 55.36 55.23 1nci s GLN 19 Cb -0.26 -2.91 -0.10 0.00 1.10 0.00 0.00 33.01 30.83 1nci s GLN 19 CO 0.33 -0.04 1.38 -1.21 -0.55 0.00 0.00 175.29 175.20 1nci s GLU 20 N 1.05 4.30 -0.01 1.67 2.02 -1.26 -0.72 118.70 125.76 1nci s GLU 20 Ca 0.01 2.26 -0.04 0.00 0.02 0.00 0.00 54.97 57.21 1nci s GLU 20 Cb -0.15 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 30.97 1nci s GLU 20 CO -0.00 -0.33 -0.09 1.28 0.02 0.00 0.00 175.26 176.14 1nci n LEU 21 N 1.74 0.88 -3.48 1.80 4.77 0.22 -4.91 117.00 118.01 1nci n LEU 21 Ca 0.04 0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 56.04 1nci n LEU 21 Cb 0.41 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1nci n LEU 21 CO 0.60 -0.54 0.37 0.54 -1.33 0.00 0.00 177.39 177.03 1nci s VAL 22 N -1.83 0.01 -0.21 4.08 0.11 -1.12 -5.02 120.40 116.42 1nci s VAL 22 Ca -0.07 -0.16 -0.06 0.00 -2.93 0.00 0.00 61.98 58.77 1nci s VAL 22 Cb 0.01 -1.09 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 1nci s VAL 22 CO 0.11 -0.05 0.02 -0.60 -3.33 0.00 0.00 175.10 171.24 1nci s ARG 23 N -3.77 3.63 -0.28 1.54 3.52 -1.26 0.11 118.95 122.43 1nci s ARG 23 Ca 0.02 -0.51 -0.01 0.00 -0.13 0.00 0.00 55.73 55.10 1nci s ARG 23 Cb -0.01 -3.13 0.04 0.00 -1.56 0.00 0.00 34.95 30.29 1nci s ARG 23 CO -0.12 -0.03 -0.03 0.42 -0.81 0.00 0.00 175.30 174.74 1nci s ILE 24 N 1.13 2.91 0.11 4.11 -1.09 0.64 -4.94 121.20 124.08 1nci s ILE 24 Ca 0.03 -1.28 -0.03 0.00 -2.23 0.00 0.00 60.65 57.14 1nci s ILE 24 Cb -0.14 -2.62 -0.03 0.00 -1.58 0.00 0.00 42.46 38.09 1nci s ILE 24 CO 0.02 -0.01 0.07 0.00 -1.23 0.00 0.00 174.94 173.79 1nci s ARG 25 N 1.27 0.86 0.00 2.79 1.70 -1.26 -4.37 118.95 119.94 1nci s ARG 25 Ca -0.04 -1.31 0.00 0.00 -0.47 0.00 0.00 55.73 53.91 1nci s ARG 25 Cb -0.19 0.26 0.00 0.00 -0.57 0.00 0.00 34.95 34.45 1nci s ARG 25 CO -0.02 -0.24 0.03 0.45 -1.08 0.00 0.00 175.30 174.44 1nci n SER 26 N -0.05 0.00 0.00 -2.89 2.88 -1.26 -5.16 113.62 107.14 1nci n SER 26 Ca -0.09 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1nci n SER 26 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1nci n SER 26 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1nci n SER 33 N -0.46 0.00 -4.73 -3.46 2.88 -1.26 -5.26 113.62 101.33 1nci n SER 33 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1nci n SER 33 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1nci n SER 33 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1nci s LEU 34 N 0.00 3.54 -0.03 2.46 1.43 -1.26 -2.01 118.68 122.82 1nci s LEU 34 Ca 0.00 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1nci s LEU 34 Cb 0.00 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1nci s LEU 34 CO 0.00 0.05 -0.10 -0.13 0.23 0.00 0.00 176.35 176.40 1nci s ARG 35 N -3.20 1.09 0.07 1.70 1.81 -0.16 -4.77 118.95 115.48 1nci s ARG 35 Ca 0.30 -0.35 0.03 0.00 -1.72 0.00 0.00 55.73 53.99 1nci s ARG 35 Cb -0.09 -1.00 -0.04 0.00 -0.45 0.00 0.00 34.95 33.37 1nci s ARG 35 CO 0.21 0.13 0.07 0.71 -0.68 0.00 0.00 175.30 175.74 1nci s TYR 36 N 0.20 3.18 0.11 -0.53 2.02 -0.03 -1.46 117.35 120.84 1nci s TYR 36 Ca -0.04 0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 56.64 1nci s TYR 36 Cb -0.09 -1.63 0.01 0.00 -0.40 0.00 0.00 41.96 39.84 1nci s TYR 36 CO 0.01 0.52 0.26 0.45 -1.57 0.00 0.00 175.55 175.22 1nci s SER 37 N -2.27 0.01 -0.01 2.29 0.15 -0.80 -4.18 113.70 108.90 1nci s SER 37 Ca 0.28 -0.59 0.04 0.00 0.70 0.00 0.00 55.95 56.37 1nci s SER 37 Cb -0.12 0.39 -0.01 0.00 -1.71 0.00 0.00 66.02 64.57 1nci s SER 37 CO 0.20 -0.79 -0.12 0.54 1.20 0.00 0.00 173.24 174.27 1nci s VAL 38 N -3.86 0.95 0.24 4.45 0.11 -1.26 -0.76 120.40 120.27 1nci s VAL 38 Ca 0.06 -0.54 0.05 0.00 -2.93 0.00 0.00 61.98 58.62 1nci s VAL 38 Cb 0.04 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 34.04 1nci s VAL 38 CO -0.10 0.26 -0.04 0.42 -3.33 0.00 0.00 175.10 172.31 1nci s THR 39 N -0.31 1.26 0.00 5.04 -4.23 -0.47 -4.47 115.64 112.46 1nci s THR 39 Ca 0.04 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1nci s THR 39 Cb -0.05 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1nci s THR 39 CO -0.00 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 1nci n GLY 40 N -0.44 2.47 3.70 3.99 0.00 -1.26 -1.88 105.19 111.77 1nci n GLY 40 Ca -0.06 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 1nci n GLY 40 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nci s PRO 41 N -2.13 4.14 0.00 1.61 0.02 -1.26 -1.15 135.00 136.23 1nci s PRO 41 Ca 0.00 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.59 1nci s PRO 41 Cb 0.00 -3.46 0.00 0.00 0.02 0.00 0.00 34.50 31.06 1nci s PRO 41 CO 0.00 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.27 1nci n GLY 42 N 4.14 2.52 0.00 0.52 0.00 0.03 -4.63 105.19 107.78 1nci n GLY 42 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1nci n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nci n ALA 43 N -0.71 0.41 1.02 4.61 0.00 -0.30 -0.71 120.51 124.83 1nci n ALA 43 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1nci n ALA 43 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1nci n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nci n ASP 44 N 0.00 1.79 -4.48 0.00 5.75 -1.09 -0.87 116.55 117.65 1nci n ASP 44 Ca 0.00 -1.38 -0.29 0.00 -0.01 0.00 0.00 54.79 53.11 1nci n ASP 44 Cb 0.00 0.52 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 1nci n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1nci s GLN 45 N -2.56 1.73 0.19 0.11 -0.21 -0.95 -4.93 119.66 113.04 1nci s GLN 45 Ca 0.17 -1.24 -0.32 0.00 0.02 0.00 0.00 55.36 53.99 1nci s GLN 45 Cb 0.18 -2.06 -0.16 0.00 1.00 0.00 0.00 33.01 31.97 1nci s GLN 45 CO 0.61 0.46 1.09 -2.30 -2.12 0.00 0.00 175.29 173.04 1nci n PRO 46 N 0.70 1.09 -2.57 2.91 -0.02 -1.26 -0.79 135.00 135.05 1nci n PRO 46 Ca -0.15 0.39 -0.43 0.00 -2.02 0.00 0.00 63.50 61.28 1nci n PRO 46 Cb 0.53 -1.83 -0.02 0.00 -0.02 0.00 0.00 33.50 32.16 1nci n PRO 46 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1nci s PRO 47 N -0.61 4.13 0.52 0.52 0.04 -1.26 -3.42 135.00 134.92 1nci s PRO 47 Ca 0.71 1.29 -0.19 0.00 0.04 0.00 0.00 61.00 62.84 1nci s PRO 47 Cb -0.84 -3.74 -0.07 0.00 0.04 0.00 0.00 34.50 29.89 1nci s PRO 47 CO 0.54 -0.82 1.07 0.95 0.04 0.00 0.00 177.00 178.78 1nci s THR 48 N 3.61 3.59 -0.34 1.26 -4.23 -1.21 -2.66 115.64 115.66 1nci s THR 48 Ca 0.48 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 61.94 1nci s THR 48 Cb -0.15 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1nci s THR 48 CO 0.14 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1nci n GLY 49 N -0.24 0.60 0.17 3.99 0.00 -0.05 -4.91 105.19 104.74 1nci n GLY 49 Ca 0.10 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 1nci n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1nci h ILE 50 N 0.00 1.34 -3.70 -0.61 2.04 -1.13 -3.42 117.51 112.03 1nci h ILE 50 Ca -0.07 -2.32 -0.68 0.00 1.00 0.00 0.00 64.86 62.80 1nci h ILE 50 Cb 0.40 2.64 -0.27 0.00 -0.74 0.00 0.00 36.82 38.86 1nci h ILE 50 CO 0.10 0.70 -0.79 -0.36 0.00 0.00 0.00 178.15 177.79 1nci s PHE 51 N -3.07 2.70 0.08 1.37 0.08 0.11 -1.14 117.98 118.11 1nci s PHE 51 Ca -0.11 -0.49 0.03 0.00 0.12 0.00 0.00 56.93 56.48 1nci s PHE 51 Cb 0.05 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.75 1nci s PHE 51 CO 0.89 -0.07 -0.09 0.96 -0.10 0.00 0.00 175.22 176.81 1nci s ILE 52 N -0.14 0.77 -0.04 0.64 -4.36 -0.54 -4.40 121.20 113.14 1nci s ILE 52 Ca -0.02 -1.48 0.03 0.00 -0.26 0.00 0.00 60.65 58.93 1nci s ILE 52 Cb -0.14 -1.14 0.00 0.00 1.25 0.00 0.00 42.46 42.44 1nci s ILE 52 CO 0.04 -0.53 -0.13 -0.51 0.24 0.00 0.00 174.94 174.05 1nci s ILE 53 N -2.20 1.08 -0.05 8.37 2.07 -1.26 -1.00 121.20 128.21 1nci s ILE 53 Ca 0.01 -0.52 -0.30 0.00 -1.41 0.00 0.00 60.65 58.43 1nci s ILE 53 Cb -0.04 -0.95 -0.05 0.00 0.13 0.00 0.00 42.46 41.55 1nci s ILE 53 CO -0.01 0.32 1.52 0.21 -1.91 0.00 0.00 174.94 175.08 1nci s ASN 54 N 0.18 6.76 0.60 4.50 3.04 -0.20 -4.90 114.94 124.92 1nci s ASN 54 Ca -0.05 2.13 0.36 0.00 0.04 0.00 0.00 52.86 55.34 1nci s ASN 54 Cb -0.11 -2.54 1.92 0.00 -1.54 0.00 0.00 41.25 38.98 1nci s ASN 54 CO 0.01 -0.84 2.23 1.55 -3.04 0.00 0.00 177.10 177.01 1nci h PRO 55 N 8.76 0.00 0.00 0.43 0.13 -1.92 -0.49 132.00 138.92 1nci h PRO 55 Ca -0.37 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.60 1nci h PRO 55 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1nci h PRO 55 CO 0.94 0.03 -1.16 -0.89 -0.23 0.00 0.00 178.00 176.69 1nci n ILE 56 N -3.40 1.49 0.15 -3.56 2.08 -1.26 -0.85 119.36 114.01 1nci n ILE 56 Ca -0.02 0.02 0.09 0.00 0.56 0.00 0.00 62.75 63.40 1nci n ILE 56 Cb 0.14 -2.17 0.07 0.00 -0.75 0.00 0.00 39.64 36.93 1nci n ILE 56 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1nci h SER 57 N -1.00 0.00 0.00 4.38 4.64 -1.94 -3.46 113.55 116.17 1nci h SER 57 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1nci h SER 57 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1nci h SER 57 CO -0.15 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1nci n GLY 58 N 1.18 0.60 3.65 -0.77 0.00 -0.19 -4.60 105.19 105.06 1nci n GLY 58 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1nci n GLY 58 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nci s GLN 59 N -0.11 4.00 -0.18 1.61 0.74 -1.26 -0.26 119.66 124.20 1nci s GLN 59 Ca 0.00 2.23 -0.11 0.00 0.05 0.00 0.00 55.36 57.54 1nci s GLN 59 Cb 0.00 -4.09 -0.05 0.00 1.10 0.00 0.00 33.01 29.97 1nci s GLN 59 CO 0.00 -1.08 0.18 -1.17 -0.55 0.00 0.00 175.29 172.66 1nci s LEU 60 N 4.80 4.24 0.19 3.68 2.96 0.12 -1.03 118.68 133.63 1nci s LEU 60 Ca 0.81 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 55.08 1nci s LEU 60 Cb -0.35 -2.16 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 1nci s LEU 60 CO 0.34 0.19 -0.01 -0.44 -1.32 0.00 0.00 176.35 175.11 1nci s SER 61 N 0.20 1.49 -0.05 3.68 0.01 -0.17 -0.61 113.70 118.26 1nci s SER 61 Ca 0.11 -1.17 0.05 0.00 1.31 0.00 0.00 55.95 56.25 1nci s SER 61 Cb -0.12 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 1nci s SER 61 CO 0.00 -0.52 -0.18 0.54 0.41 0.00 0.00 173.24 173.49 1nci s VAL 62 N -3.54 2.73 -0.78 3.43 0.11 0.10 -1.46 120.40 120.99 1nci s VAL 62 Ca 0.25 -0.84 0.23 0.00 -2.93 0.00 0.00 61.98 58.69 1nci s VAL 62 Cb 0.05 -2.04 -0.08 0.00 -1.53 0.00 0.00 36.38 32.78 1nci s VAL 62 CO 0.05 0.58 1.15 0.35 -3.33 0.00 0.00 175.10 173.91 1nci n THR 63 N 2.48 0.11 -3.71 5.04 -2.24 -0.29 -0.51 114.28 115.16 1nci n THR 63 Ca -0.17 -0.14 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 1nci n THR 63 Cb 0.52 0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 1nci n THR 63 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1nci s LYS 64 N -3.11 1.62 0.48 -0.78 -2.85 -1.26 -4.67 119.74 109.17 1nci s LYS 64 Ca 0.07 -0.81 -0.23 0.00 -1.00 0.00 0.00 55.97 53.99 1nci s LYS 64 Cb 0.15 0.60 -0.07 0.00 -2.06 0.00 0.00 37.83 36.46 1nci s LYS 64 CO 0.77 -0.73 1.29 -2.14 0.10 0.00 0.00 175.35 174.64 1nci s PRO 65 N -3.86 3.56 -0.05 1.78 0.02 -1.26 -4.93 135.00 130.26 1nci s PRO 65 Ca 0.08 2.08 0.06 0.00 0.02 0.00 0.00 61.00 63.24 1nci s PRO 65 Cb -0.04 -2.45 -0.01 0.00 0.02 0.00 0.00 34.50 32.02 1nci s PRO 65 CO 0.00 -0.80 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.12 1nci s LEU 66 N -3.06 2.05 -0.01 -5.54 1.02 -1.26 -4.87 118.68 107.01 1nci s LEU 66 Ca 0.65 -0.49 -0.01 0.00 0.02 0.00 0.00 54.13 54.30 1nci s LEU 66 Cb -0.36 -1.33 -0.04 0.00 0.02 0.00 0.00 46.19 44.48 1nci s LEU 66 CO 0.44 0.24 0.09 -0.62 0.02 0.00 0.00 176.35 176.52 1nci s ASP 67 N -0.16 5.73 0.52 2.29 2.15 -1.26 -0.02 116.67 125.92 1nci s ASP 67 Ca -0.03 0.16 0.31 0.00 0.43 0.00 0.00 52.55 53.42 1nci s ASP 67 Cb -0.13 -1.66 1.19 0.00 -0.30 0.00 0.00 42.92 42.02 1nci s ASP 67 CO 0.03 0.27 1.92 0.03 -0.17 0.00 0.00 175.17 177.26 1nci h ARG 68 N 4.10 0.00 -0.44 4.34 3.08 -1.92 -3.39 114.38 120.16 1nci h ARG 68 Ca -0.49 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.63 1nci h ARG 68 Cb 1.18 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.14 1nci h ARG 68 CO 0.63 0.05 -0.41 0.93 -1.07 0.00 0.00 179.97 180.10 1nci h GLU 69 N 0.00 -0.28 0.06 0.04 3.07 -2.00 -3.26 114.58 112.20 1nci h GLU 69 Ca -0.00 0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.80 1nci h GLU 69 Cb 0.60 0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.58 1nci h GLU 69 CO 0.01 -0.19 -0.35 1.25 -1.40 0.00 0.00 179.01 178.33 1nci h LEU 70 N -0.29 0.18 -7.23 1.33 5.85 -2.03 -3.46 115.31 109.66 1nci h LEU 70 Ca 0.15 -0.97 -0.25 0.00 0.84 0.00 0.00 57.88 57.66 1nci h LEU 70 Cb 0.57 -0.06 -0.34 0.00 0.37 0.00 0.00 40.66 41.21 1nci h LEU 70 CO -0.59 1.17 -0.57 -0.63 -0.34 0.00 0.00 178.44 177.48 1nci s ILE 71 N -2.30 -0.34 -0.58 4.05 1.01 -1.23 -5.03 121.20 116.78 1nci s ILE 71 Ca -0.17 0.31 0.20 0.00 0.00 0.00 0.00 60.65 60.99 1nci s ILE 71 Cb -0.01 -0.38 -0.26 0.00 0.01 0.00 0.00 42.46 41.82 1nci s ILE 71 CO 0.74 0.13 0.70 0.00 0.00 0.00 0.00 174.94 176.51 1nci n ALA 72 N 5.29 3.88 -3.72 9.38 0.00 -1.23 -4.61 120.51 129.51 1nci n ALA 72 Ca -0.06 -0.54 -0.15 0.00 0.00 0.00 0.00 53.44 52.68 1nci n ALA 72 Cb 0.50 -0.73 -0.15 0.00 0.00 0.00 0.00 19.45 19.07 1nci n ALA 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1nci s ARG 73 N -3.13 0.04 0.03 0.00 3.52 -1.26 -0.54 118.95 117.62 1nci s ARG 73 Ca 0.01 0.40 0.05 0.00 -0.13 0.00 0.00 55.73 56.06 1nci s ARG 73 Cb 0.14 -0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.25 1nci s ARG 73 CO 0.84 -0.22 -0.09 -0.06 -0.81 0.00 0.00 175.30 174.96 1nci s PHE 74 N 1.57 2.80 -0.25 5.12 0.40 0.48 -4.96 117.98 123.15 1nci s PHE 74 Ca -0.04 -0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 1nci s PHE 74 Cb -0.12 -1.54 0.06 0.00 0.51 0.00 0.00 43.02 41.92 1nci s PHE 74 CO -0.05 0.36 -0.11 -1.01 0.70 0.00 0.00 175.22 175.12 1nci s HIS 75 N -1.04 3.05 0.41 0.36 3.76 -1.26 -1.15 115.29 119.42 1nci s HIS 75 Ca 0.18 -2.16 0.07 0.00 -0.15 0.00 0.00 55.06 53.00 1nci s HIS 75 Cb -0.11 -1.86 -0.08 0.00 1.11 0.00 0.00 32.58 31.64 1nci s HIS 75 CO 0.09 -0.85 0.02 -0.51 -0.85 0.00 0.00 174.74 172.64 1nci s LEU 76 N 1.17 2.89 -0.06 0.89 1.43 -0.02 -4.35 118.68 120.63 1nci s LEU 76 Ca -0.07 -1.35 0.02 0.00 -1.03 0.00 0.00 54.13 51.69 1nci s LEU 76 Cb -0.19 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.11 1nci s LEU 76 CO -0.06 -0.46 -0.09 -0.13 0.23 0.00 0.00 176.35 175.84 1nci s ARG 77 N -3.73 1.40 0.02 1.70 0.52 -0.79 -0.63 118.95 117.45 1nci s ARG 77 Ca 0.35 -0.31 -0.12 0.00 -0.52 0.00 0.00 55.73 55.14 1nci s ARG 77 Cb 0.09 -1.22 -0.05 0.00 0.52 0.00 0.00 34.95 34.29 1nci s ARG 77 CO 0.18 -0.02 0.37 0.00 0.02 0.00 0.00 175.30 175.85 1nci s ALA 78 N 0.78 3.74 0.08 2.13 0.00 0.30 -1.37 121.76 127.41 1nci s ALA 78 Ca -0.13 -0.34 0.08 0.00 0.00 0.00 0.00 51.96 51.57 1nci s ALA 78 Cb -0.15 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 1nci s ALA 78 CO 0.02 0.54 -0.21 -1.01 0.00 0.00 0.00 175.76 175.10 1nci s HIS 79 N -1.20 1.80 -0.09 0.00 0.09 0.06 -1.65 115.29 114.30 1nci s HIS 79 Ca 0.26 -0.40 0.01 0.00 -0.00 0.00 0.00 55.06 54.93 1nci s HIS 79 Cb -0.15 -1.02 0.02 0.00 -0.00 0.00 0.00 32.58 31.43 1nci s HIS 79 CO 0.14 0.17 -0.09 0.00 -0.00 0.00 0.00 174.74 174.97 1nci s ALA 80 N -1.04 1.23 0.21 -1.40 0.00 -1.26 -1.90 121.76 117.60 1nci s ALA 80 Ca 0.07 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.65 1nci s ALA 80 Cb -0.10 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1nci s ALA 80 CO 0.03 -0.21 -0.12 0.14 0.00 0.00 0.00 175.76 175.61 1nci s VAL 81 N 1.31 1.62 0.84 0.00 -7.23 -0.53 -1.91 120.40 114.49 1nci s VAL 81 Ca -0.03 -2.17 -0.11 0.00 -1.81 0.00 0.00 61.98 57.86 1nci s VAL 81 Cb -0.14 -2.10 0.13 0.00 0.56 0.00 0.00 36.38 34.83 1nci s VAL 81 CO -0.03 -0.56 1.18 1.51 -0.31 0.00 0.00 175.10 176.89 1nci s ASP 82 N -3.32 3.99 0.00 4.85 1.47 0.04 -0.99 116.67 122.71 1nci s ASP 82 Ca 0.23 0.36 0.06 0.00 1.18 0.00 0.00 52.55 54.38 1nci s ASP 82 Cb 0.01 -0.69 0.30 0.00 -0.34 0.00 0.00 42.92 42.19 1nci s ASP 82 CO 0.07 -2.17 1.06 2.30 0.68 0.00 0.00 175.17 177.11 1nci n ILE 83 N -3.35 1.00 1.10 2.11 -6.64 -0.85 -0.49 119.36 112.24 1nci n ILE 83 Ca 0.12 0.25 0.12 0.00 -1.77 0.00 0.00 62.75 61.47 1nci n ILE 83 Cb 0.60 -1.15 0.14 0.00 -1.44 0.00 0.00 39.64 37.79 1nci n ILE 83 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 1nci n ASN 84 N -1.31 1.86 0.00 7.28 3.02 -1.26 -4.96 115.26 119.88 1nci n ASN 84 Ca 0.03 -1.41 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 1nci n ASN 84 Cb 0.05 0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 1nci n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nci n GLY 85 N 1.38 0.68 3.73 7.41 0.00 0.36 -5.05 105.19 113.69 1nci n GLY 85 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1nci n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nci s ASN 86 N -3.00 7.41 0.19 1.61 0.01 -1.26 -4.73 114.94 115.17 1nci s ASN 86 Ca 0.00 1.88 -0.31 0.00 -0.71 0.00 0.00 52.86 53.72 1nci s ASN 86 Cb 0.00 -2.59 -0.10 0.00 0.41 0.00 0.00 41.25 38.97 1nci s ASN 86 CO 0.00 -0.13 1.51 -1.58 -1.51 0.00 0.00 177.10 175.39 1nci s GLN 87 N -0.03 4.24 -0.00 -0.60 0.74 -1.26 -0.78 119.66 121.97 1nci s GLN 87 Ca 0.48 2.32 0.18 0.00 0.05 0.00 0.00 55.36 58.39 1nci s GLN 87 Cb -0.25 -3.15 -0.21 0.00 1.10 0.00 0.00 33.01 30.51 1nci s GLN 87 CO 0.31 -0.53 0.74 1.33 -0.55 0.00 0.00 175.29 176.59 1nci n VAL 88 N 3.41 0.00 -3.49 1.34 0.24 -0.80 -4.87 118.33 114.15 1nci n VAL 88 Ca 0.11 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 1nci n VAL 88 Cb 0.39 0.92 -0.04 0.00 -1.47 0.00 0.00 33.84 33.65 1nci n VAL 88 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1nci s GLU 89 N -2.77 1.01 0.45 7.34 -1.05 -1.26 -5.09 118.70 117.34 1nci s GLU 89 Ca 0.06 -0.15 -0.24 0.00 -0.15 0.00 0.00 54.97 54.49 1nci s GLU 89 Cb 0.14 0.47 -0.09 0.00 -0.44 0.00 0.00 34.13 34.21 1nci s GLU 89 CO 0.75 -0.40 1.24 0.09 0.95 0.00 0.00 175.26 177.89 1nci n ASN 90 N 0.16 2.32 -4.74 0.83 3.02 -1.26 -4.63 115.26 110.97 1nci n ASN 90 Ca -0.14 1.07 -0.33 0.00 -0.03 0.00 0.00 54.58 55.14 1nci n ASN 90 Cb 0.61 -1.49 0.09 0.00 -0.61 0.00 0.00 39.78 38.38 1nci n ASN 90 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1nci s PRO 91 N -2.30 2.25 -0.07 3.52 0.02 -1.26 -4.91 135.00 132.24 1nci s PRO 91 Ca 0.63 1.56 0.04 0.00 0.02 0.00 0.00 61.00 63.25 1nci s PRO 91 Cb -0.50 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.16 1nci s PRO 91 CO 0.56 -1.71 -0.20 -1.50 -0.33 0.00 0.00 177.00 173.82 1nci s ILE 92 N -2.26 1.71 0.37 2.83 2.07 -0.66 -4.94 121.20 120.31 1nci s ILE 92 Ca 0.70 -0.83 -0.27 0.00 -1.41 0.00 0.00 60.65 58.83 1nci s ILE 92 Cb -0.24 -1.48 -0.09 0.00 0.13 0.00 0.00 42.46 40.77 1nci s ILE 92 CO 0.46 0.48 1.25 -1.81 -1.91 0.00 0.00 174.94 173.42 1nci s ASP 93 N 0.28 6.62 -0.03 4.50 1.01 -1.26 -0.54 116.67 127.24 1nci s ASP 93 Ca -0.12 2.56 0.02 0.00 0.71 0.00 0.00 52.55 55.72 1nci s ASP 93 Cb -0.15 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.14 1nci s ASP 93 CO 0.05 -0.63 -0.10 -0.63 0.21 0.00 0.00 175.17 174.08 1nci s ILE 94 N -1.24 0.85 -0.08 0.77 -1.09 0.19 -4.52 121.20 116.08 1nci s ILE 94 Ca 0.53 -0.38 0.04 0.00 -2.23 0.00 0.00 60.65 58.61 1nci s ILE 94 Cb -0.36 -0.77 -0.00 0.00 -1.58 0.00 0.00 42.46 39.75 1nci s ILE 94 CO 0.47 0.27 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.53 1nci s VAL 95 N 0.29 1.98 -0.14 2.92 1.01 -1.26 -0.84 120.40 124.35 1nci s VAL 95 Ca -0.05 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1nci s VAL 95 Cb -0.10 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.60 1nci s VAL 95 CO 0.01 0.54 -0.15 -0.63 0.00 0.00 0.00 175.10 174.87 1nci s ILE 96 N 0.22 1.62 -0.17 2.22 1.01 -0.30 -0.85 121.20 124.95 1nci s ILE 96 Ca -0.14 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 1nci s ILE 96 Cb -0.17 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1nci s ILE 96 CO 0.07 0.47 0.10 0.20 0.00 0.00 0.00 174.94 175.78 1nci s ASN 97 N 1.33 6.00 -0.42 3.58 0.01 0.62 -0.39 114.94 125.67 1nci s ASN 97 Ca 0.02 0.23 -0.18 0.00 -0.71 0.00 0.00 52.86 52.22 1nci s ASN 97 Cb -0.13 -2.01 0.02 0.00 0.41 0.00 0.00 41.25 39.54 1nci s ASN 97 CO -0.08 0.24 0.48 -0.69 -1.51 0.00 0.00 177.10 175.54 1nci s VAL 98 N -0.02 5.03 -0.12 1.60 1.01 0.30 -0.56 120.40 127.64 1nci s VAL 98 Ca 0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 1nci s VAL 98 Cb -0.12 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1nci s VAL 98 CO 0.00 -0.44 0.13 -0.63 0.00 0.00 0.00 175.10 174.16 1nci s ILE 99 N 2.29 5.45 -0.15 2.22 -1.09 0.68 -4.83 121.20 125.77 1nci s ILE 99 Ca 0.15 0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.77 1nci s ILE 99 Cb -0.16 -3.38 0.01 0.00 -1.58 0.00 0.00 42.46 37.35 1nci s ILE 99 CO 0.15 0.61 0.54 -0.67 -1.23 0.00 0.00 174.94 174.33