#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nch n SER -1 N 0.00 -0.75 0.00 1.61 2.88 -1.26 -4.93 113.62 111.16 1nch n SER -1 Ca 0.00 -1.46 0.00 0.00 -1.33 0.00 0.00 58.87 56.08 1nch n SER -1 Cb 0.00 0.61 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1nch n SER -1 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1nch n ASP 1 N -0.41 0.00 -4.74 -3.46 8.00 -1.26 -5.13 116.55 109.55 1nch n ASP 1 Ca -0.16 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 54.93 1nch n ASP 1 Cb 0.61 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.67 1nch n ASP 1 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1nch s TRP 2 N 0.00 3.58 -0.07 1.24 0.52 -1.26 -5.01 118.94 117.94 1nch s TRP 2 Ca 0.00 1.62 -0.13 0.00 0.02 0.00 0.00 56.10 57.61 1nch s TRP 2 Cb 0.00 -3.29 -0.05 0.00 -1.15 0.00 0.00 33.47 28.98 1nch s TRP 2 CO 0.00 -0.63 0.32 0.14 0.02 0.00 0.00 176.95 176.81 1nch s VAL 3 N -0.53 5.21 0.10 4.03 -7.23 -1.26 -5.05 120.40 115.67 1nch s VAL 3 Ca 0.48 0.64 -0.30 0.00 -1.81 0.00 0.00 61.98 60.98 1nch s VAL 3 Cb -0.30 -3.63 -0.06 0.00 0.56 0.00 0.00 36.38 32.94 1nch s VAL 3 CO 0.37 0.53 1.14 -0.63 -0.31 0.00 0.00 175.10 176.20 1nch s ILE 4 N -0.61 4.04 0.61 -0.62 1.01 -1.26 -5.01 121.20 119.36 1nch s ILE 4 Ca 0.20 1.58 -0.19 0.00 0.00 0.00 0.00 60.65 62.24 1nch s ILE 4 Cb -0.15 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 1nch s ILE 4 CO 0.09 0.18 1.24 -2.84 0.00 0.00 0.00 174.94 173.61 1nch s PRO 5 N 0.46 2.85 0.72 2.79 0.02 -1.26 -4.82 135.00 135.76 1nch s PRO 5 Ca 0.54 1.90 -0.16 0.00 0.02 0.00 0.00 61.00 63.31 1nch s PRO 5 Cb -0.29 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.36 1nch s PRO 5 CO 0.32 -1.32 1.26 -2.14 -0.33 0.00 0.00 177.00 174.78 1nch s PRO 6 N -3.34 2.13 -0.22 5.54 0.02 -1.26 -4.82 135.00 133.06 1nch s PRO 6 Ca 0.79 1.94 -0.07 0.00 0.02 0.00 0.00 61.00 63.67 1nch s PRO 6 Cb -0.33 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 1nch s PRO 6 CO 0.35 -1.88 0.07 0.42 -0.33 0.00 0.00 177.00 175.63 1nch s ILE 7 N -1.72 4.60 -0.18 2.83 1.01 0.16 -4.99 121.20 122.90 1nch s ILE 7 Ca 0.79 -0.09 -0.05 0.00 0.00 0.00 0.00 60.65 61.30 1nch s ILE 7 Cb -0.34 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1nch s ILE 7 CO 0.45 0.39 -0.01 0.20 0.00 0.00 0.00 174.94 175.97 1nch s ASN 8 N 0.99 4.83 -0.08 3.58 0.01 -1.26 -0.55 114.94 122.45 1nch s ASN 8 Ca 0.04 -0.17 0.02 0.00 -0.71 0.00 0.00 52.86 52.04 1nch s ASN 8 Cb -0.14 -1.81 0.02 0.00 0.41 0.00 0.00 41.25 39.73 1nch s ASN 8 CO 0.03 0.11 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.39 1nch s LEU 9 N 0.75 1.58 0.37 0.60 1.98 -0.58 -4.97 118.68 118.41 1nch s LEU 9 Ca -0.00 -0.32 -0.27 0.00 -2.89 0.00 0.00 54.13 50.65 1nch s LEU 9 Cb -0.14 -0.87 -0.09 0.00 0.66 0.00 0.00 46.19 45.75 1nch s LEU 9 CO 0.02 0.01 1.20 -2.16 -1.89 0.00 0.00 176.35 173.53 1nch s PRO 10 N 0.88 4.19 0.96 0.98 0.04 -1.26 -0.47 135.00 140.31 1nch s PRO 10 Ca -0.10 1.95 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 1nch s PRO 10 Cb -0.15 -2.84 0.23 0.00 0.04 0.00 0.00 34.50 31.78 1nch s PRO 10 CO 0.01 -0.24 0.95 -0.85 0.04 0.00 0.00 177.00 176.91 1nch n GLU 11 N 0.39 -2.32 -3.01 4.56 0.28 0.16 -4.18 120.64 116.52 1nch n GLU 11 Ca 0.03 -1.50 -0.19 0.00 -0.16 0.00 0.00 57.16 55.34 1nch n GLU 11 Cb 0.45 -1.29 -0.00 0.00 1.43 0.00 0.00 31.44 32.03 1nch n GLU 11 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1nch n ASN 12 N -4.32 -3.77 -3.03 -1.84 3.02 -0.57 -4.88 115.26 99.87 1nch n ASN 12 Ca 0.13 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1nch n ASN 12 Cb 0.48 -3.15 0.00 0.00 -0.61 0.00 0.00 39.78 36.50 1nch n ASN 12 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1nch n SER 13 N -2.11 -0.79 0.00 6.41 7.64 -1.26 -4.99 113.62 118.52 1nch n SER 13 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1nch n SER 13 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1nch n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nch n GLY 15 N 0.00 -0.64 3.81 0.23 0.00 -1.26 -4.70 105.19 102.63 1nch n GLY 15 Ca 0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 1nch n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nch s PRO 16 N -0.45 2.88 0.19 1.61 0.04 -1.26 -5.08 135.00 132.92 1nch s PRO 16 Ca 0.00 1.03 0.06 0.00 0.04 0.00 0.00 61.00 62.14 1nch s PRO 16 Cb 0.00 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1nch s PRO 16 CO 0.00 -1.15 0.11 -0.06 0.04 0.00 0.00 177.00 175.94 1nch s PHE 17 N -2.92 3.04 0.24 0.56 0.08 -1.26 -3.93 117.98 113.78 1nch s PHE 17 Ca 0.59 -0.07 -0.30 0.00 0.12 0.00 0.00 56.93 57.27 1nch s PHE 17 Cb -0.15 -1.44 -0.10 0.00 -0.57 0.00 0.00 43.02 40.76 1nch s PHE 17 CO 0.52 0.53 1.44 -1.25 -0.10 0.00 0.00 175.22 176.36 1nch s PRO 18 N -3.24 4.27 -0.38 0.24 0.04 -1.26 -5.09 135.00 129.57 1nch s PRO 18 Ca 0.30 2.29 -0.20 0.00 0.04 0.00 0.00 61.00 63.44 1nch s PRO 18 Cb -0.09 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.34 1nch s PRO 18 CO 0.22 -0.43 0.60 -1.14 0.04 0.00 0.00 177.00 176.30 1nch s GLN 19 N -0.21 3.51 0.10 4.56 0.74 0.59 -4.88 119.66 124.08 1nch s GLN 19 Ca 0.60 -0.16 -0.31 0.00 0.05 0.00 0.00 55.36 55.54 1nch s GLN 19 Cb -0.42 -3.86 -0.09 0.00 1.10 0.00 0.00 33.01 29.75 1nch s GLN 19 CO 0.42 -0.81 1.56 -1.21 -0.55 0.00 0.00 175.29 174.70 1nch s GLU 20 N 2.66 4.23 0.00 1.67 2.02 -1.26 -0.26 118.70 127.76 1nch s GLU 20 Ca 0.22 2.27 0.00 0.00 0.02 0.00 0.00 54.97 57.48 1nch s GLU 20 Cb -0.15 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.69 1nch s GLU 20 CO 0.16 -0.63 0.00 1.28 0.02 0.00 0.00 175.26 176.09 1nch n LEU 21 N 4.77 0.01 -3.78 1.80 4.77 0.12 -4.93 117.00 119.77 1nch n LEU 21 Ca 0.14 0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 1nch n LEU 21 Cb 0.40 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 1nch n LEU 21 CO 0.61 -0.35 -0.03 0.54 -1.33 0.00 0.00 177.39 176.83 1nch s VAL 22 N -0.70 0.04 -0.39 4.08 0.11 -1.18 -4.99 120.40 117.37 1nch s VAL 22 Ca 0.00 -0.32 -0.25 0.00 -2.93 0.00 0.00 61.98 58.48 1nch s VAL 22 Cb 0.00 -0.50 0.02 0.00 -1.53 0.00 0.00 36.38 34.36 1nch s VAL 22 CO 0.00 -0.17 0.89 -0.13 -3.33 0.00 0.00 175.10 172.36 1nch s ARG 23 N -0.73 3.74 -0.39 1.54 0.52 -1.26 -1.52 118.95 120.84 1nch s ARG 23 Ca -0.08 0.40 -0.10 0.00 -0.52 0.00 0.00 55.73 55.43 1nch s ARG 23 Cb -0.04 -3.84 0.05 0.00 0.52 0.00 0.00 34.95 31.63 1nch s ARG 23 CO 0.02 -1.00 0.22 0.42 0.02 0.00 0.00 175.30 174.98 1nch s ILE 24 N 3.47 4.41 0.20 1.52 -1.09 0.58 -4.97 121.20 125.33 1nch s ILE 24 Ca 0.36 -1.06 -0.03 0.00 -2.23 0.00 0.00 60.65 57.69 1nch s ILE 24 Cb -0.12 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1nch s ILE 24 CO 0.20 -0.32 0.19 0.00 -1.23 0.00 0.00 174.94 173.78 1nch s ARG 25 N 1.50 1.24 -0.17 2.79 3.03 -1.26 -4.48 118.95 121.60 1nch s ARG 25 Ca 0.02 -1.54 -0.03 0.00 2.03 0.00 0.00 55.73 56.20 1nch s ARG 25 Cb -0.21 0.31 -0.02 0.00 -1.03 0.00 0.00 34.95 34.00 1nch s ARG 25 CO 0.05 -0.43 -0.05 0.45 -1.13 0.00 0.00 175.30 174.19 1nch s SER 26 N -3.12 4.54 0.56 -2.89 0.15 -1.26 -5.00 113.70 106.68 1nch s SER 26 Ca 0.35 -0.23 0.29 0.00 0.70 0.00 0.00 55.95 57.06 1nch s SER 26 Cb 0.06 -1.74 1.46 0.00 -1.71 0.00 0.00 66.02 64.09 1nch s SER 26 CO 0.11 0.12 1.90 1.23 1.20 0.00 0.00 173.24 177.80 1nch h GLY 27 N 7.07 0.00 1.33 9.45 0.00 -2.02 0.18 103.07 119.08 1nch h GLY 27 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1nch h GLY 27 CO 0.60 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.68 1nch n ARG 28 N -4.03 0.20 -2.52 4.80 1.74 -1.26 -5.01 116.66 110.59 1nch n ARG 28 Ca 0.13 0.12 -0.40 0.00 -0.77 0.00 0.00 57.85 56.93 1nch n ARG 28 Cb 0.79 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.70 1nch n ARG 28 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1nch s ASP 29 N -2.33 6.40 0.00 0.55 1.47 0.62 -4.72 116.67 118.65 1nch s ASP 29 Ca 0.11 -1.46 0.00 0.00 1.18 0.00 0.00 52.55 52.38 1nch s ASP 29 Cb 0.06 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 40.07 1nch s ASP 29 CO 0.13 -1.60 0.00 -0.11 0.68 0.00 0.00 175.17 174.27 1nch n LEU 32 N 9.31 0.00 -4.60 2.11 7.94 -1.26 -4.86 117.00 125.64 1nch n LEU 32 Ca 0.35 0.42 -0.43 0.00 -1.11 0.00 0.00 56.01 55.24 1nch n LEU 32 Cb 0.50 -0.74 -0.03 0.00 0.53 0.00 0.00 43.42 43.68 1nch n LEU 32 CO 0.66 0.00 0.84 -0.44 -1.11 0.00 0.00 177.39 177.34 1nch s SER 33 N -0.63 6.66 0.27 1.96 0.01 -1.26 -5.03 113.70 115.68 1nch s SER 33 Ca 0.00 0.52 0.08 0.00 1.31 0.00 0.00 55.95 57.86 1nch s SER 33 Cb 0.00 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 1nch s SER 33 CO 0.00 -0.98 0.12 -0.76 0.41 0.00 0.00 173.24 172.03 1nch s LEU 34 N 3.75 3.51 -0.02 2.44 1.43 -1.26 -3.18 118.68 125.34 1nch s LEU 34 Ca 0.41 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1nch s LEU 34 Cb -0.11 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 1nch s LEU 34 CO 0.22 -0.06 -0.17 -0.60 0.23 0.00 0.00 176.35 175.97 1nch s ARG 35 N -3.78 1.48 0.02 1.70 3.00 -0.14 -4.75 118.95 116.47 1nch s ARG 35 Ca 0.33 -0.61 0.02 0.00 -1.00 0.00 0.00 55.73 54.47 1nch s ARG 35 Cb -0.07 -1.40 -0.04 0.00 0.00 0.00 0.00 34.95 33.45 1nch s ARG 35 CO 0.23 0.34 0.01 0.71 0.00 0.00 0.00 175.30 176.59 1nch s TYR 36 N -0.30 3.08 -0.02 5.12 2.02 0.56 -2.23 117.35 125.58 1nch s TYR 36 Ca 0.04 0.07 -0.15 0.00 -0.37 0.00 0.00 57.07 56.66 1nch s TYR 36 Cb -0.08 -1.65 0.02 0.00 -0.40 0.00 0.00 41.96 39.85 1nch s TYR 36 CO -0.00 0.47 0.32 -1.54 -1.57 0.00 0.00 175.55 173.23 1nch s SER 37 N -1.72 -0.21 0.13 2.29 1.04 -1.12 -4.25 113.70 109.86 1nch s SER 37 Ca 0.21 0.11 0.08 0.00 0.48 0.00 0.00 55.95 56.83 1nch s SER 37 Cb -0.12 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 1nch s SER 37 CO 0.12 -0.45 -0.10 0.68 0.98 0.00 0.00 173.24 174.47 1nch s VAL 38 N -1.30 3.29 0.16 5.02 -7.23 -1.26 -0.03 120.40 119.05 1nch s VAL 38 Ca -0.13 -1.41 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 1nch s VAL 38 Cb -0.05 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 1nch s VAL 38 CO 0.04 0.04 -0.04 0.42 -0.31 0.00 0.00 175.10 175.25 1nch s THR 39 N -1.37 0.87 0.00 5.32 -4.23 -0.32 -4.50 115.64 111.41 1nch s THR 39 Ca 0.22 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1nch s THR 39 Cb -0.10 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.74 1nch s THR 39 CO 0.14 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 1nch n GLY 40 N -0.22 1.03 3.65 3.99 0.00 -1.26 -1.93 105.19 110.45 1nch n GLY 40 Ca -0.08 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 1nch n GLY 40 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nch n PRO 41 N 0.11 2.61 0.00 1.61 -0.02 -1.25 -0.81 135.00 137.25 1nch n PRO 41 Ca 0.00 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1nch n PRO 41 Cb 0.00 -2.98 0.00 0.00 -0.02 0.00 0.00 33.50 30.50 1nch n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nch n GLY 42 N 4.74 2.57 0.00 -1.23 0.00 0.04 -4.46 105.19 106.85 1nch n GLY 42 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1nch n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nch n ALA 43 N -0.59 0.67 0.18 4.61 0.00 0.01 -0.95 120.51 124.43 1nch n ALA 43 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1nch n ALA 43 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 1nch n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nch n ASP 44 N 0.00 3.09 -3.97 0.00 5.75 -0.99 -1.65 116.55 118.78 1nch n ASP 44 Ca 0.00 -2.04 -0.16 0.00 -0.01 0.00 0.00 54.79 52.59 1nch n ASP 44 Cb 0.00 -0.39 -0.14 0.00 -1.03 0.00 0.00 41.12 39.56 1nch n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1nch s GLN 45 N -1.30 0.44 0.27 0.11 -0.21 -0.79 -4.86 119.66 113.31 1nch s GLN 45 Ca 0.38 -0.22 -0.30 0.00 0.02 0.00 0.00 55.36 55.23 1nch s GLN 45 Cb 0.20 -0.41 -0.13 0.00 1.00 0.00 0.00 33.01 33.67 1nch s GLN 45 CO 0.25 0.11 1.27 -0.35 -2.12 0.00 0.00 175.29 174.45 1nch n PRO 46 N 2.86 1.83 -2.10 2.91 -0.04 -1.26 -0.78 135.00 138.43 1nch n PRO 46 Ca -0.13 0.65 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 1nch n PRO 46 Cb 0.58 -2.21 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 1nch n PRO 46 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1nch s PRO 47 N -1.05 4.22 0.38 0.54 0.04 -1.26 -4.28 135.00 133.59 1nch s PRO 47 Ca 0.63 2.10 -0.17 0.00 0.04 0.00 0.00 61.00 63.60 1nch s PRO 47 Cb -0.66 -3.73 -0.10 0.00 0.04 0.00 0.00 34.50 30.05 1nch s PRO 47 CO 0.56 -0.71 0.83 -0.08 0.04 0.00 0.00 177.00 177.63 1nch s THR 48 N 3.09 4.57 -0.64 1.26 -1.32 -1.23 -1.50 115.64 119.88 1nch s THR 48 Ca 0.69 1.15 0.00 0.00 -1.21 0.00 0.00 61.69 62.31 1nch s THR 48 Cb -0.33 -3.62 0.00 0.00 -1.51 0.00 0.00 72.50 67.04 1nch s THR 48 CO 0.28 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1nch n GLY 49 N -0.57 0.79 0.21 6.08 0.00 -0.66 -4.89 105.19 106.14 1nch n GLY 49 Ca 0.05 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 1nch n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1nch h ILE 50 N 0.00 1.31 -3.89 -0.61 1.08 -1.22 -3.43 117.51 110.75 1nch h ILE 50 Ca -0.12 -1.82 -0.68 0.00 -0.39 0.00 0.00 64.86 61.84 1nch h ILE 50 Cb 0.60 1.95 -0.21 0.00 -3.07 0.00 0.00 36.82 36.09 1nch h ILE 50 CO 0.18 0.57 -0.82 -0.36 -0.69 0.00 0.00 178.15 177.03 1nch s PHE 51 N -3.86 2.48 0.01 1.37 0.08 -0.30 -0.81 117.98 116.95 1nch s PHE 51 Ca -0.11 -0.30 -0.09 0.00 0.12 0.00 0.00 56.93 56.55 1nch s PHE 51 Cb 0.08 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 41.16 1nch s PHE 51 CO 0.87 0.31 0.17 0.96 -0.10 0.00 0.00 175.22 177.43 1nch s ILE 52 N -1.03 0.09 0.02 0.64 -4.36 -0.98 -4.53 121.20 111.05 1nch s ILE 52 Ca 0.16 -0.76 0.08 0.00 -0.26 0.00 0.00 60.65 59.87 1nch s ILE 52 Cb -0.10 -0.63 -0.02 0.00 1.25 0.00 0.00 42.46 42.95 1nch s ILE 52 CO 0.07 -0.42 -0.24 -0.51 0.24 0.00 0.00 174.94 174.08 1nch s ILE 53 N -1.82 1.94 0.00 8.37 2.07 -1.26 -0.69 121.20 129.81 1nch s ILE 53 Ca -0.11 -1.20 -0.30 0.00 -1.41 0.00 0.00 60.65 57.63 1nch s ILE 53 Cb -0.05 -1.65 -0.05 0.00 0.13 0.00 0.00 42.46 40.84 1nch s ILE 53 CO -0.00 0.40 1.31 0.21 -1.91 0.00 0.00 174.94 174.95 1nch s ASN 54 N -0.95 6.94 0.28 4.50 3.84 -0.17 -4.91 114.94 124.48 1nch s ASN 54 Ca 0.10 2.03 0.03 0.00 0.21 0.00 0.00 52.86 55.23 1nch s ASN 54 Cb -0.09 -2.56 0.65 0.00 -0.55 0.00 0.00 41.25 38.69 1nch s ASN 54 CO 0.01 -0.64 1.76 -0.65 -2.79 0.00 0.00 177.10 174.79 1nch h PRO 55 N 7.48 0.63 0.05 0.43 0.11 -1.93 -1.21 132.00 137.56 1nch h PRO 55 Ca -0.38 -0.04 -0.36 0.00 0.11 0.00 0.00 66.00 65.34 1nch h PRO 55 Cb 1.18 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1nch h PRO 55 CO 0.88 0.42 -2.05 0.44 -0.21 0.00 0.00 178.00 177.48 1nch n ILE 56 N -4.85 1.63 0.04 4.15 -5.35 -1.26 -0.33 119.36 113.39 1nch n ILE 56 Ca 0.21 -0.48 -0.11 0.00 -0.27 0.00 0.00 62.75 62.10 1nch n ILE 56 Cb 0.53 -1.73 -0.13 0.00 -1.74 0.00 0.00 39.64 36.56 1nch n ILE 56 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1nch h SER 57 N -0.29 0.13 0.00 7.28 4.64 -1.93 -3.47 113.55 119.91 1nch h SER 57 Ca -0.49 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 1nch h SER 57 Cb 1.81 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 1nch h SER 57 CO -0.08 1.15 0.00 0.61 -0.87 0.00 0.00 176.83 177.64 1nch n GLY 58 N 1.52 0.64 3.65 -0.77 0.00 -0.46 -4.77 105.19 105.00 1nch n GLY 58 Ca -0.11 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 1nch n GLY 58 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nch s GLN 59 N -0.68 4.07 -0.20 1.61 2.00 -1.26 -0.31 119.66 124.89 1nch s GLN 59 Ca 0.00 1.57 -0.19 0.00 -2.00 0.00 0.00 55.36 54.73 1nch s GLN 59 Cb 0.00 -3.85 -0.03 0.00 0.80 0.00 0.00 33.01 29.93 1nch s GLN 59 CO 0.00 -0.93 0.55 -1.17 -0.50 0.00 0.00 175.29 173.25 1nch s LEU 60 N 4.04 4.14 0.25 3.68 2.96 -0.57 -1.00 118.68 132.18 1nch s LEU 60 Ca 0.59 0.73 0.11 0.00 -0.22 0.00 0.00 54.13 55.33 1nch s LEU 60 Cb -0.21 -2.77 -0.05 0.00 0.50 0.00 0.00 46.19 43.66 1nch s LEU 60 CO 0.20 -0.21 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.38 1nch s SER 61 N 1.17 3.38 0.03 3.68 0.01 0.13 0.15 113.70 122.26 1nch s SER 61 Ca 0.26 -0.98 0.02 0.00 1.31 0.00 0.00 55.95 56.55 1nch s SER 61 Cb -0.16 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 1nch s SER 61 CO 0.10 0.03 0.01 0.54 0.41 0.00 0.00 173.24 174.33 1nch s VAL 62 N -2.36 4.19 -0.14 3.43 0.11 0.64 -2.32 120.40 123.96 1nch s VAL 62 Ca 0.26 -0.70 0.18 0.00 -2.93 0.00 0.00 61.98 58.80 1nch s VAL 62 Cb -0.05 -2.92 -0.27 0.00 -1.53 0.00 0.00 36.38 31.60 1nch s VAL 62 CO 0.12 0.29 0.45 0.35 -3.33 0.00 0.00 175.10 172.99 1nch n THR 63 N 1.09 0.00 -4.00 5.04 -2.24 0.01 -0.30 114.28 113.88 1nch n THR 63 Ca -0.13 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.18 1nch n THR 63 Cb 0.52 0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.91 1nch n THR 63 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1nch s LYS 64 N -3.20 1.58 0.85 -0.78 -2.85 -1.26 -4.66 119.74 109.41 1nch s LYS 64 Ca -0.05 -1.28 -0.12 0.00 -1.00 0.00 0.00 55.97 53.52 1nch s LYS 64 Cb 0.12 0.47 0.11 0.00 -2.06 0.00 0.00 37.83 36.47 1nch s LYS 64 CO 0.76 -0.66 1.18 -2.14 0.10 0.00 0.00 175.35 174.60 1nch s PRO 65 N -3.95 1.37 0.30 1.78 0.02 -1.26 -4.99 135.00 128.27 1nch s PRO 65 Ca 0.23 1.68 0.07 0.00 0.02 0.00 0.00 61.00 62.99 1nch s PRO 65 Cb -0.01 -1.75 -0.06 0.00 0.02 0.00 0.00 34.50 32.70 1nch s PRO 65 CO 0.10 -2.40 -0.04 -0.51 -0.33 0.00 0.00 177.00 173.82 1nch s LEU 66 N -6.09 2.50 -0.18 -5.54 1.43 -1.26 -4.97 118.68 104.57 1nch s LEU 66 Ca 0.71 -1.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.51 1nch s LEU 66 Cb -0.26 -0.67 0.09 0.00 0.03 0.00 0.00 46.19 45.38 1nch s LEU 66 CO 0.54 -0.37 0.37 -0.62 0.23 0.00 0.00 176.35 176.49 1nch s ASP 67 N -3.49 -0.02 0.27 2.29 2.15 -1.26 -1.52 116.67 115.09 1nch s ASP 67 Ca 0.31 0.80 -0.01 0.00 0.43 0.00 0.00 52.55 54.08 1nch s ASP 67 Cb 0.05 1.13 0.47 0.00 -0.30 0.00 0.00 42.92 44.27 1nch s ASP 67 CO 0.13 -0.24 1.84 -0.09 -0.17 0.00 0.00 175.17 176.64 1nch h ARG 68 N 8.21 0.94 0.00 4.34 2.43 -1.85 -2.10 114.38 126.35 1nch h ARG 68 Ca -0.16 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 1nch h ARG 68 Cb 1.11 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1nch h ARG 68 CO 0.14 0.62 -0.07 0.93 -1.51 0.00 0.00 179.97 180.08 1nch h GLU 69 N 0.96 0.00 0.00 0.20 3.07 -1.96 -3.17 114.58 113.68 1nch h GLU 69 Ca 0.45 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.28 1nch h GLU 69 Cb 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1nch h GLU 69 CO -0.24 0.07 -0.58 -0.07 -1.40 0.00 0.00 179.01 176.78 1nch h LEU 70 N 0.00 0.00 -7.68 1.33 3.38 -1.83 -3.46 115.31 107.05 1nch h LEU 70 Ca -0.00 -0.07 -0.49 0.00 0.09 0.00 0.00 57.88 57.41 1nch h LEU 70 Cb 0.16 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.55 1nch h LEU 70 CO 0.01 0.84 -0.79 -0.63 0.09 0.00 0.00 178.44 177.96 1nch s ILE 71 N -2.23 0.81 -0.02 1.22 1.01 -1.04 -5.04 121.20 115.92 1nch s ILE 71 Ca -0.16 -0.18 0.12 0.00 0.00 0.00 0.00 60.65 60.43 1nch s ILE 71 Cb 0.02 -0.86 -0.21 0.00 0.01 0.00 0.00 42.46 41.42 1nch s ILE 71 CO 0.26 0.32 0.82 0.00 0.00 0.00 0.00 174.94 176.34 1nch h ALA 72 N 7.98 0.68 -2.00 9.38 0.00 -1.82 -3.37 119.26 130.12 1nch h ALA 72 Ca -0.28 -1.29 -0.06 0.00 0.00 0.00 0.00 54.91 53.28 1nch h ALA 72 Cb 1.14 0.33 -0.19 0.00 0.00 0.00 0.00 17.79 19.06 1nch h ALA 72 CO 0.38 1.46 0.17 -0.98 0.00 0.00 0.00 179.25 180.28 1nch s ARG 73 N -2.65 1.01 0.18 0.00 1.70 -1.26 -0.46 118.95 117.47 1nch s ARG 73 Ca -0.03 0.43 0.07 0.00 -0.47 0.00 0.00 55.73 55.73 1nch s ARG 73 Cb 0.08 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.90 1nch s ARG 73 CO 0.82 -0.28 -0.00 -0.06 -1.08 0.00 0.00 175.30 174.70 1nch s PHE 74 N -0.84 2.84 -0.33 5.89 0.40 -0.64 -4.97 117.98 120.34 1nch s PHE 74 Ca -0.09 -0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.09 1nch s PHE 74 Cb -0.01 -1.37 0.12 0.00 0.51 0.00 0.00 43.02 42.26 1nch s PHE 74 CO 0.08 0.52 0.16 -1.58 0.70 0.00 0.00 175.22 175.10 1nch s HIS 75 N -1.74 1.03 0.55 0.36 2.46 -1.26 -1.61 115.29 115.07 1nch s HIS 75 Ca 0.28 -1.52 0.08 0.00 0.47 0.00 0.00 55.06 54.36 1nch s HIS 75 Cb -0.09 -1.26 0.08 0.00 -0.13 0.00 0.00 32.58 31.18 1nch s HIS 75 CO 0.19 -0.84 0.65 1.28 -2.47 0.00 0.00 174.74 173.55 1nch n LEU 76 N 4.58 0.00 -3.71 8.88 4.77 -0.39 -4.47 117.00 126.65 1nch n LEU 76 Ca 0.02 -2.53 -0.13 0.00 -0.03 0.00 0.00 56.01 53.33 1nch n LEU 76 Cb 0.40 -0.29 -0.14 0.00 -2.33 0.00 0.00 43.42 41.06 1nch n LEU 76 CO 0.11 -0.66 -0.16 -0.13 -1.33 0.00 0.00 177.39 175.22 1nch s ARG 77 N -4.42 0.15 0.11 3.23 0.52 -0.81 -1.22 118.95 116.50 1nch s ARG 77 Ca 0.49 0.55 -0.10 0.00 -0.52 0.00 0.00 55.73 56.15 1nch s ARG 77 Cb -0.04 -0.13 -0.06 0.00 0.52 0.00 0.00 34.95 35.24 1nch s ARG 77 CO 0.31 -0.21 0.44 0.00 0.02 0.00 0.00 175.30 175.87 1nch s ALA 78 N 1.61 3.69 0.16 2.13 0.00 -0.18 -1.17 121.76 127.99 1nch s ALA 78 Ca -0.06 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 51.63 1nch s ALA 78 Cb -0.11 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1nch s ALA 78 CO -0.08 0.55 -0.13 -1.01 0.00 0.00 0.00 175.76 175.09 1nch s HIS 79 N -1.46 1.50 -0.02 0.00 0.09 0.96 -2.30 115.29 114.06 1nch s HIS 79 Ca 0.36 -0.62 0.00 0.00 -0.00 0.00 0.00 55.06 54.80 1nch s HIS 79 Cb -0.14 -0.74 0.03 0.00 -0.00 0.00 0.00 32.58 31.73 1nch s HIS 79 CO 0.19 0.21 0.03 0.00 -0.00 0.00 0.00 174.74 175.17 1nch s ALA 80 N -2.79 0.10 -0.02 -1.40 0.00 -1.26 -2.80 121.76 113.59 1nch s ALA 80 Ca 0.16 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.38 1nch s ALA 80 Cb -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1nch s ALA 80 CO 0.04 -0.10 0.07 0.08 0.00 0.00 0.00 175.76 175.85 1nch s VAL 81 N 1.03 0.02 0.96 0.00 1.01 -0.95 -2.74 120.40 119.73 1nch s VAL 81 Ca -0.09 -0.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1nch s VAL 81 Cb -0.13 -0.15 0.17 0.00 0.00 0.00 0.00 36.38 36.27 1nch s VAL 81 CO -0.03 -0.07 1.12 1.51 0.00 0.00 0.00 175.10 177.63 1nch s ASP 82 N -0.19 2.99 0.45 3.32 1.47 0.22 -0.97 116.67 123.96 1nch s ASP 82 Ca -0.02 1.05 0.19 0.00 1.18 0.00 0.00 52.55 54.95 1nch s ASP 82 Cb -0.02 -1.67 1.04 0.00 -0.34 0.00 0.00 42.92 41.93 1nch s ASP 82 CO 0.00 -2.88 1.52 -0.29 0.68 0.00 0.00 175.17 174.20 1nch h ILE 83 N -1.72 0.00 -0.28 2.11 6.09 -1.90 0.35 117.51 122.15 1nch h ILE 83 Ca -0.53 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 1nch h ILE 83 Cb 1.33 0.42 0.00 0.00 0.47 0.00 0.00 36.82 39.05 1nch h ILE 83 CO 0.60 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 176.27 1nch n ASN 84 N -2.36 3.23 0.00 2.19 5.03 -1.26 -4.97 115.26 117.11 1nch n ASN 84 Ca -0.01 -1.95 0.00 0.00 0.87 0.00 0.00 54.58 53.48 1nch n ASN 84 Cb 0.34 -0.18 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 1nch n ASN 84 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nch n GLY 85 N 1.35 0.74 3.75 7.41 0.00 0.12 -5.05 105.19 113.51 1nch n GLY 85 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1nch n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nch s ASN 86 N -3.00 7.48 0.16 1.61 0.01 -1.26 -4.69 114.94 115.26 1nch s ASN 86 Ca 0.00 2.03 -0.30 0.00 -0.71 0.00 0.00 52.86 53.88 1nch s ASN 86 Cb 0.00 -2.61 -0.08 0.00 0.41 0.00 0.00 41.25 38.97 1nch s ASN 86 CO 0.00 0.00 1.31 -1.58 -1.51 0.00 0.00 177.10 175.33 1nch s GLN 87 N -0.99 4.38 -0.06 -0.60 0.74 -1.26 -0.61 119.66 121.26 1nch s GLN 87 Ca 0.44 2.02 0.01 0.00 0.05 0.00 0.00 55.36 57.88 1nch s GLN 87 Cb -0.28 -3.22 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 1nch s GLN 87 CO 0.35 -0.29 -0.05 1.33 -0.55 0.00 0.00 175.29 176.07 1nch n VAL 88 N 3.10 0.35 -3.73 1.34 0.24 -1.11 -4.90 118.33 113.62 1nch n VAL 88 Ca 0.08 -0.14 -0.21 0.00 -2.04 0.00 0.00 64.34 62.03 1nch n VAL 88 Cb 0.43 -0.72 -0.04 0.00 -1.47 0.00 0.00 33.84 32.04 1nch n VAL 88 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1nch s GLU 89 N -2.12 2.55 -0.13 7.34 0.41 -1.25 -5.10 118.70 120.41 1nch s GLU 89 Ca -0.08 -1.49 -0.13 0.00 -0.41 0.00 0.00 54.97 52.87 1nch s GLU 89 Cb 0.02 -2.36 -0.05 0.00 -1.78 0.00 0.00 34.13 29.96 1nch s GLU 89 CO 0.14 -0.07 0.28 1.21 -0.49 0.00 0.00 175.26 176.32 1nch s ASN 90 N -4.05 6.48 0.34 -0.19 3.04 -1.26 -4.75 114.94 114.55 1nch s ASN 90 Ca 0.45 0.56 -0.28 0.00 0.04 0.00 0.00 52.86 53.63 1nch s ASN 90 Cb -0.03 -2.17 -0.12 0.00 -1.54 0.00 0.00 41.25 37.38 1nch s ASN 90 CO 0.27 0.20 1.28 -0.81 -3.04 0.00 0.00 177.10 175.00 1nch n PRO 91 N 2.98 2.10 -4.33 0.43 -0.04 -1.26 -4.95 135.00 129.93 1nch n PRO 91 Ca -0.14 0.74 -0.32 0.00 -0.04 0.00 0.00 63.50 63.73 1nch n PRO 91 Cb 0.52 -2.31 -0.09 0.00 -0.04 0.00 0.00 33.50 31.58 1nch n PRO 91 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1nch s ILE 92 N -1.06 4.02 0.20 0.52 -4.36 -0.97 -4.92 121.20 114.62 1nch s ILE 92 Ca 0.56 -0.65 -0.26 0.00 -0.26 0.00 0.00 60.65 60.04 1nch s ILE 92 Cb -0.58 -2.78 -0.08 0.00 1.25 0.00 0.00 42.46 40.27 1nch s ILE 92 CO 0.62 0.38 0.82 -1.81 0.24 0.00 0.00 174.94 175.19 1nch s ASP 93 N -1.52 7.43 -0.06 4.36 1.01 -1.26 -1.01 116.67 125.61 1nch s ASP 93 Ca 0.19 1.71 0.03 0.00 0.71 0.00 0.00 52.55 55.20 1nch s ASP 93 Cb -0.11 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.30 1nch s ASP 93 CO 0.09 0.17 -0.17 -0.63 0.21 0.00 0.00 175.17 174.85 1nch s ILE 94 N -1.21 1.45 -0.04 0.77 1.01 -0.36 -4.60 121.20 118.23 1nch s ILE 94 Ca 0.38 -0.69 0.07 0.00 0.00 0.00 0.00 60.65 60.41 1nch s ILE 94 Cb -0.23 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 1nch s ILE 94 CO 0.27 0.42 -0.24 -0.69 0.00 0.00 0.00 174.94 174.70 1nch s VAL 95 N 0.35 1.98 -0.06 2.92 1.01 -1.26 -1.27 120.40 124.07 1nch s VAL 95 Ca -0.11 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.84 1nch s VAL 95 Cb -0.15 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.59 1nch s VAL 95 CO 0.04 0.55 -0.11 -0.63 0.00 0.00 0.00 175.10 174.96 1nch s ILE 96 N -0.33 1.03 -0.10 2.22 1.01 -0.63 -0.67 121.20 123.73 1nch s ILE 96 Ca 0.02 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1nch s ILE 96 Cb -0.12 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 1nch s ILE 96 CO 0.02 0.33 -0.15 0.20 0.00 0.00 0.00 174.94 175.34 1nch s ASN 97 N 0.74 3.93 -0.24 3.58 0.01 0.29 -1.62 114.94 121.62 1nch s ASN 97 Ca -0.13 -0.30 -0.13 0.00 -0.71 0.00 0.00 52.86 51.58 1nch s ASN 97 Cb -0.15 -1.32 -0.04 0.00 0.41 0.00 0.00 41.25 40.15 1nch s ASN 97 CO 0.03 0.23 0.29 -0.69 -1.51 0.00 0.00 177.10 175.44 1nch s VAL 98 N -0.03 5.26 -1.14 1.60 1.01 0.39 -1.53 120.40 125.96 1nch s VAL 98 Ca -0.04 0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.48 1nch s VAL 98 Cb -0.14 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.69 1nch s VAL 98 CO 0.04 0.26 0.79 2.30 0.00 0.00 0.00 175.10 178.50