#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2akk s SER 2 N 0.00 -0.97 -0.21 6.12 0.01 -1.26 -4.99 113.70 112.41 2akk s SER 2 Ca 0.00 1.35 0.13 0.00 1.31 0.00 0.00 55.95 58.75 2akk s SER 2 Cb 0.00 2.02 0.43 0.00 0.21 0.00 0.00 66.02 68.68 2akk s SER 2 CO 0.00 -0.19 1.31 2.30 0.41 0.00 0.00 173.24 177.07 2akk n ILE 3 N 5.16 2.25 -1.47 1.44 -5.35 -1.26 -4.98 119.36 115.14 2akk n ILE 3 Ca -0.12 -2.62 -0.48 0.00 -0.27 0.00 0.00 62.75 59.26 2akk n ILE 3 Cb 0.51 -0.27 -0.07 0.00 -1.74 0.00 0.00 39.64 38.07 2akk n ILE 3 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2akk n GLU 4 N -1.10 1.00 -3.23 6.28 0.28 -1.26 -4.46 120.64 118.14 2akk n GLU 4 Ca 0.23 0.23 -0.40 0.00 -0.16 0.00 0.00 57.16 57.06 2akk n GLU 4 Cb 0.82 -2.52 -0.08 0.00 1.43 0.00 0.00 31.44 31.09 2akk n GLU 4 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2akk s VAL 5 N 8.17 5.06 0.25 3.84 1.01 -1.26 -4.86 120.40 132.61 2akk s VAL 5 Ca 1.10 0.82 0.09 0.00 0.00 0.00 0.00 61.98 64.00 2akk s VAL 5 Cb -0.79 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 31.69 2akk s VAL 5 CO 0.45 0.05 -0.14 -0.13 0.00 0.00 0.00 175.10 175.33 2akk s ARG 6 N 2.33 1.52 0.00 2.72 0.52 -1.26 -0.04 118.95 124.74 2akk s ARG 6 Ca 0.21 -1.71 0.00 0.00 -0.52 0.00 0.00 55.73 53.71 2akk s ARG 6 Cb -0.16 -1.38 0.00 0.00 0.52 0.00 0.00 34.95 33.93 2akk s ARG 6 CO 0.10 0.20 0.00 -0.40 0.02 0.00 0.00 175.30 175.22 2akk n ASP 7 N -0.53 0.00 0.00 0.23 5.75 -0.25 -4.72 116.55 117.04 2akk n ASP 7 Ca -0.06 -0.62 0.09 0.00 -0.01 0.00 0.00 54.79 54.18 2akk n ASP 7 Cb 0.61 0.00 0.42 0.00 -1.03 0.00 0.00 41.12 41.12 2akk n ASP 7 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2akk n ASN 9 N -1.38 1.56 0.00 0.00 5.15 -1.26 -4.99 115.26 114.33 2akk n ASN 9 Ca 0.07 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 2akk n ASN 9 Cb 0.17 -0.19 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 2akk n ASN 9 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2akk n GLY 10 N 2.08 1.35 3.71 8.20 0.00 -1.07 -5.11 105.19 114.36 2akk n GLY 10 Ca -0.40 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 2akk n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2akk s ALA 11 N -1.91 3.27 0.30 4.61 0.00 -1.26 -4.72 121.76 122.05 2akk s ALA 11 Ca 0.00 0.36 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 2akk s ALA 11 Cb 0.00 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 2akk s ALA 11 CO 0.00 -0.28 1.20 -0.51 0.00 0.00 0.00 175.76 176.17 2akk s LEU 12 N 1.18 4.49 0.47 0.00 1.43 -1.26 -1.09 118.68 123.91 2akk s LEU 12 Ca 0.46 2.47 0.08 0.00 -1.03 0.00 0.00 54.13 56.11 2akk s LEU 12 Cb -0.19 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.41 2akk s LEU 12 CO 0.22 -0.34 0.54 -0.76 0.23 0.00 0.00 176.35 176.25 2akk s LEU 13 N -1.55 3.30 0.00 1.79 1.43 0.94 -4.93 118.68 119.67 2akk s LEU 13 Ca 0.47 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 2akk s LEU 13 Cb -0.36 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 43.92 2akk s LEU 13 CO 0.46 -0.92 0.80 0.00 0.23 0.00 0.00 176.35 176.93 2akk n ALA 14 N -1.84 -1.85 -2.04 4.21 0.00 -1.26 -4.76 120.51 112.98 2akk n ALA 14 Ca 0.07 -1.22 -0.42 0.00 0.00 0.00 0.00 53.44 51.87 2akk n ALA 14 Cb 0.61 0.95 -0.03 0.00 0.00 0.00 0.00 19.45 20.98 2akk n ALA 14 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2akk s ASP 15 N -3.07 6.69 0.00 0.00 2.15 -1.26 -2.55 116.67 118.63 2akk s ASP 15 Ca 0.16 2.26 0.00 0.00 0.43 0.00 0.00 52.55 55.40 2akk s ASP 15 Cb -0.05 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 2akk s ASP 15 CO 0.11 -0.87 0.00 0.61 -0.17 0.00 0.00 175.17 174.85 2akk n GLY 16 N 3.99 1.07 4.01 2.66 0.00 0.56 -5.00 105.19 112.48 2akk n GLY 16 Ca 0.16 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 2akk n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2akk s ASP 17 N -2.50 5.30 -0.00 1.61 -1.08 -1.06 -4.74 116.67 114.20 2akk s ASP 17 Ca 0.00 -0.51 0.02 0.00 -0.52 0.00 0.00 52.55 51.54 2akk s ASP 17 Cb 0.00 -0.30 -0.01 0.00 -1.46 0.00 0.00 42.92 41.15 2akk s ASP 17 CO 0.00 -1.11 -0.06 0.54 0.52 0.00 0.00 175.17 175.05 2akk s ASN 18 N -4.50 0.75 0.32 -0.34 2.20 -1.26 -0.12 114.94 111.99 2akk s ASN 18 Ca 0.59 -0.14 0.06 0.00 -0.94 0.00 0.00 52.86 52.43 2akk s ASN 18 Cb -0.08 -0.08 -0.03 0.00 -2.00 0.00 0.00 41.25 39.06 2akk s ASN 18 CO 0.37 0.06 0.26 0.68 -2.94 0.00 0.00 177.10 175.53 2akk s VAL 19 N -0.22 0.03 0.05 3.54 -7.23 0.82 -0.95 120.40 116.44 2akk s VAL 19 Ca 0.02 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.01 2akk s VAL 19 Cb -0.03 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.46 2akk s VAL 19 CO -0.00 0.00 0.42 -0.44 -0.31 0.00 0.00 175.10 174.77 2akk s SER 20 N -3.37 -0.29 0.07 4.85 0.01 0.11 0.24 113.70 115.32 2akk s SER 20 Ca 0.40 -0.01 -0.31 0.00 1.31 0.00 0.00 55.95 57.34 2akk s SER 20 Cb 0.03 0.43 -0.07 0.00 0.21 0.00 0.00 66.02 66.62 2akk s SER 20 CO 0.26 -0.68 1.44 -0.76 0.41 0.00 0.00 173.24 173.90 2akk s LEU 21 N -2.06 4.35 0.00 2.44 2.01 0.83 0.02 118.68 126.27 2akk s LEU 21 Ca -0.05 2.28 0.25 0.00 0.01 0.00 0.00 54.13 56.62 2akk s LEU 21 Cb -0.01 -3.57 0.42 0.00 0.01 0.00 0.00 46.19 43.04 2akk s LEU 21 CO -0.03 -0.72 1.35 2.30 1.01 0.00 0.00 176.35 180.26 2akk n ILE 22 N 4.32 0.00 -3.81 -0.59 -5.35 -0.62 -2.65 119.36 110.66 2akk n ILE 22 Ca 0.13 -0.09 -0.09 0.00 -0.27 0.00 0.00 62.75 62.43 2akk n ILE 22 Cb 0.42 0.57 0.02 0.00 -1.74 0.00 0.00 39.64 38.92 2akk n ILE 22 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2akk s LYS 23 N -2.73 2.21 -0.20 6.28 -2.85 -1.26 -4.95 119.74 116.24 2akk s LYS 23 Ca 0.17 -1.42 -0.23 0.00 -1.00 0.00 0.00 55.97 53.49 2akk s LYS 23 Cb 0.18 0.62 -0.02 0.00 -2.06 0.00 0.00 37.83 36.56 2akk s LYS 23 CO 0.64 -1.04 0.75 -0.51 0.10 0.00 0.00 175.35 175.29 2akk s ASP 24 N -3.07 6.82 -0.16 0.03 1.01 -1.26 -3.27 116.67 116.77 2akk s ASP 24 Ca 0.15 1.00 0.01 0.00 0.71 0.00 0.00 52.55 54.43 2akk s ASP 24 Cb -0.05 -2.41 0.01 0.00 1.01 0.00 0.00 42.92 41.48 2akk s ASP 24 CO 0.11 -0.38 -0.18 -0.76 0.21 0.00 0.00 175.17 174.18 2akk s LEU 25 N 2.24 2.31 -0.12 1.23 2.01 -0.18 -4.94 118.68 121.23 2akk s LEU 25 Ca 0.34 -0.55 -0.07 0.00 0.01 0.00 0.00 54.13 53.86 2akk s LEU 25 Cb -0.16 -1.52 -0.04 0.00 0.01 0.00 0.00 46.19 44.48 2akk s LEU 25 CO 0.10 0.05 0.13 -0.75 1.01 0.00 0.00 176.35 176.90 2akk s LYS 26 N 1.00 3.44 0.17 1.70 2.36 -1.26 0.04 119.74 127.20 2akk s LYS 26 Ca -0.02 -0.15 0.05 0.00 -2.55 0.00 0.00 55.97 53.30 2akk s LYS 26 Cb -0.15 -3.17 -0.04 0.00 -1.05 0.00 0.00 37.83 33.42 2akk s LYS 26 CO -0.04 0.75 0.14 -0.51 1.55 0.00 0.00 175.35 177.23 2akk s LEU 27 N -0.95 3.78 0.00 5.43 2.01 0.23 -4.95 118.68 124.22 2akk s LEU 27 Ca 0.15 -0.16 0.00 0.00 0.01 0.00 0.00 54.13 54.13 2akk s LEU 27 Cb -0.12 -2.38 0.00 0.00 0.01 0.00 0.00 46.19 43.70 2akk s LEU 27 CO 0.04 0.06 0.00 1.17 1.01 0.00 0.00 176.35 178.62 2akk n LYS 28 N -0.43 0.00 0.24 1.70 3.00 -1.26 -3.44 118.16 117.97 2akk n LYS 28 Ca -0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.11 2akk n LYS 28 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.52 2akk n LYS 28 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2akk h GLY 29 N 0.00 -0.68 -5.63 3.14 0.00 -1.99 -3.44 103.07 94.47 2akk h GLY 29 Ca 0.00 0.25 -0.17 0.00 0.00 0.00 0.00 47.33 47.41 2akk h GLY 29 CO 0.00 -0.25 -0.53 -0.56 0.00 0.00 0.00 176.54 175.20 2akk s SER 30 N -4.82 -0.97 0.00 0.19 0.01 -1.26 -5.05 113.70 101.79 2akk s SER 30 Ca -0.12 -1.46 0.00 0.00 1.31 0.00 0.00 55.95 55.68 2akk s SER 30 Cb 0.01 1.60 0.00 0.00 0.21 0.00 0.00 66.02 67.84 2akk s SER 30 CO 0.38 -0.13 0.00 -0.24 0.41 0.00 0.00 173.24 173.66 2akk n SER 31 N 3.64 0.00 -4.46 2.44 2.88 -1.22 -5.07 113.62 111.83 2akk n SER 31 Ca 0.15 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.26 2akk n SER 31 Cb 0.54 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.95 2akk n SER 31 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2akk s THR 32 N -0.01 4.67 -0.45 2.46 2.01 -1.22 -4.95 115.64 118.15 2akk s THR 32 Ca 0.00 -0.32 -0.14 0.00 0.31 0.00 0.00 61.69 61.54 2akk s THR 32 Cb 0.00 -4.43 0.07 0.00 0.01 0.00 0.00 72.50 68.15 2akk s THR 32 CO 0.00 -1.00 0.34 -0.69 -0.69 0.00 0.00 174.62 172.58 2akk s VAL 33 N 3.16 4.95 0.26 3.82 1.01 -1.26 0.75 120.40 133.09 2akk s VAL 33 Ca 0.20 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 60.89 2akk s VAL 33 Cb -0.18 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 2akk s VAL 33 CO 0.13 -0.51 0.75 -0.76 0.00 0.00 0.00 175.10 174.71 2akk s LEU 34 N 1.59 4.26 0.27 3.92 1.02 0.11 -4.94 118.68 124.90 2akk s LEU 34 Ca 0.04 1.42 0.09 0.00 0.02 0.00 0.00 54.13 55.69 2akk s LEU 34 Cb -0.23 -3.77 -0.04 0.00 0.02 0.00 0.00 46.19 42.16 2akk s LEU 34 CO 0.06 -0.05 0.06 -0.54 0.02 0.00 0.00 176.35 175.90 2akk s LYS 35 N -2.28 2.43 0.40 1.70 -0.14 -1.26 -1.01 119.74 119.57 2akk s LYS 35 Ca 0.47 -1.37 -0.27 0.00 -1.36 0.00 0.00 55.97 53.44 2akk s LYS 35 Cb -0.15 -2.24 -0.10 0.00 -1.68 0.00 0.00 37.83 33.66 2akk s LYS 35 CO 0.20 0.33 1.43 0.50 -0.76 0.00 0.00 175.35 177.05 2akk s ARG 36 N -3.73 3.99 0.00 1.68 3.52 -1.20 -3.00 118.95 120.21 2akk s ARG 36 Ca 0.33 2.44 0.00 0.00 -0.13 0.00 0.00 55.73 58.36 2akk s ARG 36 Cb -0.06 -2.86 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 2akk s ARG 36 CO 0.21 -0.57 0.00 0.41 -0.81 0.00 0.00 175.30 174.54 2akk n GLY 37 N 0.56 0.29 3.67 8.12 0.00 -1.09 -4.98 105.19 111.76 2akk n GLY 37 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2akk n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2akk s THR 38 N -2.00 3.94 -0.12 2.61 2.01 -1.16 -4.80 115.64 116.13 2akk s THR 38 Ca 0.00 1.20 -0.20 0.00 0.31 0.00 0.00 61.69 63.00 2akk s THR 38 Cb 0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2akk s THR 38 CO 0.00 -0.08 0.54 -0.32 -0.69 0.00 0.00 174.62 174.08 2akk s MET 39 N 3.34 4.34 -0.53 4.92 1.75 -1.26 -0.12 119.30 131.74 2akk s MET 39 Ca 0.62 0.56 -0.02 0.00 -1.25 0.00 0.00 55.69 55.60 2akk s MET 39 Cb -0.27 -3.46 0.14 0.00 2.84 0.00 0.00 34.83 34.07 2akk s MET 39 CO 0.22 0.08 0.32 0.42 -0.65 0.00 0.00 175.02 175.42 2akk s ILE 40 N 0.84 3.40 -0.02 10.11 1.01 0.14 -4.17 121.20 132.51 2akk s ILE 40 Ca 0.29 -2.65 0.03 0.00 0.00 0.00 0.00 60.65 58.31 2akk s ILE 40 Cb -0.16 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 2akk s ILE 40 CO 0.12 -0.79 -0.07 0.00 0.00 0.00 0.00 174.94 174.19 2akk s ARG 41 N 0.38 2.59 0.00 2.79 1.04 -1.08 -0.13 118.95 124.54 2akk s ARG 41 Ca 0.14 -0.68 0.00 0.00 -1.04 0.00 0.00 55.73 54.15 2akk s ARG 41 Cb -0.22 -2.51 0.00 0.00 -2.04 0.00 0.00 34.95 30.18 2akk s ARG 41 CO -0.04 0.62 0.00 0.41 -0.04 0.00 0.00 175.30 176.25 2akk n GLY 42 N 1.77 0.60 3.96 3.88 0.00 0.83 -4.28 105.19 111.95 2akk n GLY 42 Ca -0.16 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 2akk n GLY 42 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2akk s ILE 43 N -2.29 4.09 0.03 -0.61 -5.25 -0.41 -4.26 121.20 112.51 2akk s ILE 43 Ca 0.00 -0.60 0.01 0.00 -0.99 0.00 0.00 60.65 59.07 2akk s ILE 43 Cb 0.00 -3.49 -0.02 0.00 2.95 0.00 0.00 42.46 41.90 2akk s ILE 43 CO 0.00 -0.31 -0.05 0.00 -1.79 0.00 0.00 174.94 172.78 2akk s ARG 44 N -4.46 0.41 0.51 0.37 1.70 0.38 -0.33 118.95 117.54 2akk s ARG 44 Ca 0.47 -0.63 -0.20 0.00 -0.47 0.00 0.00 55.73 54.90 2akk s ARG 44 Cb -0.10 -0.13 -0.07 0.00 -0.57 0.00 0.00 34.95 34.08 2akk s ARG 44 CO 0.36 0.01 1.09 -0.51 -1.08 0.00 0.00 175.30 175.18 2akk s LEU 45 N -1.37 3.81 0.00 -1.89 1.43 -1.26 -1.98 118.68 117.42 2akk s LEU 45 Ca -0.11 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 2akk s LEU 45 Cb -0.09 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.58 2akk s LEU 45 CO -0.00 -1.02 0.00 0.35 0.23 0.00 0.00 176.35 175.91 2akk n THR 46 N -1.11 0.00 0.96 5.49 -2.24 -1.25 -4.86 114.28 111.27 2akk n THR 46 Ca 0.10 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 2akk n THR 46 Cb 0.51 -0.16 0.56 0.00 -2.10 0.00 0.00 70.33 69.14 2akk n THR 46 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2akk n ASP 47 N -0.12 0.00 -4.68 3.42 8.00 -1.26 -4.77 116.55 117.14 2akk n ASP 47 Ca 0.00 0.28 -0.34 0.00 0.71 0.00 0.00 54.79 55.45 2akk n ASP 47 Cb 0.00 -0.42 -0.09 0.00 -0.02 0.00 0.00 41.12 40.59 2akk n ASP 47 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2akk s SER 48 N -2.84 5.16 0.22 -2.24 0.01 -1.26 -4.99 113.70 107.76 2akk s SER 48 Ca 0.16 0.06 0.23 0.00 1.31 0.00 0.00 55.95 57.72 2akk s SER 48 Cb 0.16 -1.40 0.16 0.00 0.21 0.00 0.00 66.02 65.15 2akk s SER 48 CO 0.41 0.33 1.22 -0.33 0.41 0.00 0.00 173.24 175.28 2akk h GLU 49 N 4.73 0.00 0.00 12.44 3.07 -1.86 -3.29 114.58 129.67 2akk h GLU 49 Ca -0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 2akk h GLU 49 Cb 1.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 2akk h GLU 49 CO 0.56 0.00 -1.03 -3.47 -1.40 0.00 0.00 179.01 173.67 2akk n ASP 50 N -2.58 0.63 -4.22 1.42 2.03 -1.26 -4.19 116.55 108.38 2akk n ASP 50 Ca 0.02 -0.33 -0.23 0.00 0.52 0.00 0.00 54.79 54.77 2akk n ASP 50 Cb 0.51 0.85 -0.13 0.00 -0.72 0.00 0.00 41.12 41.63 2akk n ASP 50 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2akk s GLU 51 N -3.17 1.18 0.14 -0.67 2.02 -1.24 0.18 118.70 117.14 2akk s GLU 51 Ca 0.04 -0.93 0.02 0.00 0.02 0.00 0.00 54.97 54.12 2akk s GLU 51 Cb 0.15 -1.28 -0.04 0.00 0.10 0.00 0.00 34.13 33.05 2akk s GLU 51 CO 0.81 0.32 -0.02 0.96 0.02 0.00 0.00 175.26 177.34 2akk s ILE 52 N -0.90 0.67 -0.08 -1.63 -5.25 0.09 -3.90 121.20 110.20 2akk s ILE 52 Ca 0.05 -1.96 0.05 0.00 -0.99 0.00 0.00 60.65 57.80 2akk s ILE 52 Cb -0.09 -1.95 -0.01 0.00 2.95 0.00 0.00 42.46 43.36 2akk s ILE 52 CO 0.02 -0.62 -0.24 -0.70 -1.79 0.00 0.00 174.94 171.60 2akk s GLU 53 N -3.89 2.78 0.00 0.37 2.12 -0.84 0.23 118.70 119.48 2akk s GLU 53 Ca 0.19 -0.89 0.00 0.00 0.36 0.00 0.00 54.97 54.63 2akk s GLU 53 Cb 0.06 -2.23 0.00 0.00 0.26 0.00 0.00 34.13 32.22 2akk s GLU 53 CO 0.01 0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.43 2akk n GLY 54 N 3.21 3.78 2.99 -1.50 0.00 -0.63 -0.47 105.19 112.57 2akk n GLY 54 Ca -0.18 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.51 2akk n GLY 54 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2akk s ARG 55 N -0.20 0.26 0.03 1.61 1.70 -1.26 -0.80 118.95 120.30 2akk s ARG 55 Ca 0.00 -0.31 0.00 0.00 -0.47 0.00 0.00 55.73 54.95 2akk s ARG 55 Cb 0.00 0.10 0.00 0.00 -0.57 0.00 0.00 34.95 34.49 2akk s ARG 55 CO 0.00 -0.05 0.02 0.25 -1.08 0.00 0.00 175.30 174.44 2akk n THR 56 N 2.09 0.00 0.22 4.99 -2.24 0.17 -2.64 114.28 116.87 2akk n THR 56 Ca -0.19 -0.14 0.07 0.00 -2.27 0.00 0.00 64.05 61.51 2akk n THR 56 Cb 0.57 -0.27 0.49 0.00 -2.10 0.00 0.00 70.33 69.02 2akk n THR 56 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2akk h ASP 57 N 0.06 0.00 0.00 3.42 5.19 -1.98 -3.41 116.42 119.70 2akk h ASP 57 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2akk h ASP 57 Cb 0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 2akk h ASP 57 CO 0.04 0.26 0.00 0.29 -3.12 0.00 0.00 179.24 176.71 2akk n LYS 58 N -3.82 0.00 -2.32 3.56 5.02 -1.26 -5.03 118.16 114.30 2akk n LYS 58 Ca -0.01 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.89 2akk n LYS 58 Cb 0.36 -0.15 -0.02 0.00 -0.02 0.00 0.00 35.03 35.20 2akk n LYS 58 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2akk s ILE 59 N -0.91 3.21 0.02 -0.18 1.09 -1.26 -5.05 121.20 118.12 2akk s ILE 59 Ca 0.00 1.03 0.03 0.00 -1.10 0.00 0.00 60.65 60.61 2akk s ILE 59 Cb 0.00 -3.58 -0.02 0.00 -1.06 0.00 0.00 42.46 37.80 2akk s ILE 59 CO 0.00 0.10 -0.10 -1.59 -0.10 0.00 0.00 174.94 173.25 2akk s LYS 60 N -2.23 0.71 -1.06 2.79 -2.85 -1.26 0.45 119.74 116.29 2akk s LYS 60 Ca 0.56 -0.58 -0.02 0.00 -1.00 0.00 0.00 55.97 54.93 2akk s LYS 60 Cb -0.30 -0.65 0.00 0.00 -2.06 0.00 0.00 37.83 34.82 2akk s LYS 60 CO 0.38 0.16 0.89 0.41 0.10 0.00 0.00 175.35 177.30 2akk n GLY 61 N 2.14 -0.26 3.54 0.59 0.00 0.02 -4.96 105.19 106.27 2akk n GLY 61 Ca -0.17 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 2akk n GLY 61 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2akk s LEU 62 N -5.89 3.20 -0.25 0.99 2.34 -0.46 -4.88 118.68 113.73 2akk s LEU 62 Ca 0.13 -0.07 -0.18 0.00 0.06 0.00 0.00 54.13 54.08 2akk s LEU 62 Cb -0.06 -1.73 -0.03 0.00 -0.56 0.00 0.00 46.19 43.81 2akk s LEU 62 CO 0.62 0.28 0.50 -0.69 -1.06 0.00 0.00 176.35 176.00 2akk s VAL 63 N -0.30 5.09 -0.00 1.48 1.01 -1.26 -1.60 120.40 124.82 2akk s VAL 63 Ca 0.05 0.86 0.03 0.00 0.00 0.00 0.00 61.98 62.91 2akk s VAL 63 Cb -0.13 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 2akk s VAL 63 CO 0.02 0.11 -0.11 -0.76 0.00 0.00 0.00 175.10 174.37 2akk s LEU 64 N 2.18 2.05 0.12 3.92 1.43 0.13 -4.95 118.68 123.56 2akk s LEU 64 Ca 0.21 -0.23 -0.35 0.00 -1.03 0.00 0.00 54.13 52.73 2akk s LEU 64 Cb -0.16 -0.52 -0.14 0.00 0.03 0.00 0.00 46.19 45.40 2akk s LEU 64 CO 0.09 0.10 1.55 -2.11 0.23 0.00 0.00 176.35 176.21 2akk n ARG 65 N 2.66 1.91 -0.56 1.70 1.85 -1.26 -0.73 116.66 122.23 2akk n ARG 65 Ca -0.14 0.69 0.02 0.00 -1.00 0.00 0.00 57.85 57.42 2akk n ARG 65 Cb 0.56 -2.44 0.23 0.00 -1.05 0.00 0.00 32.46 29.76 2akk n ARG 65 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2akk n THR 66 N 3.37 1.71 1.04 8.89 5.66 0.13 -3.95 114.28 131.13 2akk n THR 66 Ca 0.18 -0.86 0.11 0.00 -3.05 0.00 0.00 64.05 60.43 2akk n THR 66 Cb 0.26 -0.40 0.11 0.00 -1.55 0.00 0.00 70.33 68.75 2akk n THR 66 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2akk n GLU 67 N 0.28 0.30 -0.23 1.09 -0.00 -1.26 -3.25 120.64 117.57 2akk n GLU 67 Ca 0.19 -0.21 0.07 0.00 -0.00 0.00 0.00 57.16 57.20 2akk n GLU 67 Cb 0.86 -1.50 0.17 0.00 -0.00 0.00 0.00 31.44 30.97 2akk n GLU 67 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 2akk n PHE 68 N -1.16 0.47 -4.26 -1.84 1.16 -1.25 -4.52 117.46 106.05 2akk n PHE 68 Ca 0.07 -0.76 -0.30 0.00 -1.87 0.00 0.00 57.45 54.59 2akk n PHE 68 Cb 0.35 -0.17 -0.10 0.00 -1.61 0.00 0.00 39.48 37.96 2akk n PHE 68 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2akk s LEU 69 N -2.12 3.10 -0.14 5.98 1.43 -1.20 -1.59 118.68 124.13 2akk s LEU 69 Ca 0.29 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2akk s LEU 69 Cb 0.22 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.58 2akk s LEU 69 CO 0.08 0.19 -0.21 -0.75 0.23 0.00 0.00 176.35 175.89 2akk s LYS 70 N -2.10 3.04 0.10 1.70 2.36 0.10 -1.02 119.74 123.92 2akk s LYS 70 Ca 0.21 -0.84 -0.31 0.00 -2.55 0.00 0.00 55.97 52.48 2akk s LYS 70 Cb -0.11 -2.46 -0.09 0.00 -1.05 0.00 0.00 37.83 34.11 2akk s LYS 70 CO 0.13 -0.02 1.75 0.21 1.55 0.00 0.00 175.35 178.97 2akk s LYS 71 N 0.84 4.16 0.50 4.03 2.20 -1.26 0.07 119.74 130.28 2akk s LYS 71 Ca -0.06 2.48 -0.19 0.00 -0.36 0.00 0.00 55.97 57.84 2akk s LYS 71 Cb -0.15 -3.58 -0.08 0.00 -1.51 0.00 0.00 37.83 32.50 2akk s LYS 71 CO -0.02 -0.79 1.01 0.00 -0.36 0.00 0.00 175.35 175.18 2akk s ALA 72 N 2.65 2.94 0.00 3.13 0.00 -0.13 -3.75 121.76 126.60 2akk s ALA 72 Ca 0.78 0.40 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2akk s ALA 72 Cb -0.43 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2akk s ALA 72 CO 0.34 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.24 2akk n GLY 73 N -0.83 3.10 0.00 0.00 0.00 -1.26 -4.90 105.19 101.30 2akk n GLY 73 Ca 0.08 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2akk n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76