#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 5.93 -0.63 7.83 0.01 -1.26 -4.89 113.70 120.69 2akk s SER 2 Ca 0.00 1.74 0.05 0.00 1.31 0.00 0.00 55.95 59.05 2akk s SER 2 Cb 0.00 -2.52 0.31 0.00 0.21 0.00 0.00 66.02 64.02 2akk s SER 2 CO 0.00 -1.61 0.94 2.30 0.41 0.00 0.00 173.24 175.28 2akk n ILE 3 N 7.07 3.05 -1.57 1.44 -5.35 -1.26 -5.05 119.36 117.70 2akk n ILE 3 Ca 0.24 -5.50 -0.46 0.00 -0.27 0.00 0.00 62.75 56.75 2akk n ILE 3 Cb 0.45 -1.65 -0.05 0.00 -1.74 0.00 0.00 39.64 36.66 2akk n ILE 3 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2akk n GLU 4 N 0.14 1.77 -3.93 6.28 1.02 -1.26 -4.68 120.64 119.99 2akk n GLU 4 Ca 0.31 0.54 -0.35 0.00 -0.02 0.00 0.00 57.16 57.63 2akk n GLU 4 Cb 0.39 -2.87 -0.11 0.00 -0.02 0.00 0.00 31.44 28.84 2akk n GLU 4 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2akk s VAL 5 N 6.99 4.62 0.22 2.62 1.01 -1.25 -4.76 120.40 129.85 2akk s VAL 5 Ca 1.02 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.96 2akk s VAL 5 Cb -0.58 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2akk s VAL 5 CO 0.43 0.41 -0.06 -0.13 0.00 0.00 0.00 175.10 175.76 2akk s ARG 6 N 0.86 1.31 0.00 2.72 3.00 -1.26 -0.14 118.95 125.43 2akk s ARG 6 Ca 0.04 -1.63 0.00 0.00 0.00 0.00 0.00 55.73 54.14 2akk s ARG 6 Cb -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 34.95 34.03 2akk s ARG 6 CO 0.02 0.01 0.00 -0.40 0.00 0.00 0.00 175.30 174.93 2akk n ASP 7 N -0.39 0.00 0.00 0.23 5.75 -0.37 -4.82 116.55 116.95 2akk n ASP 7 Ca -0.07 -0.50 0.11 0.00 -0.01 0.00 0.00 54.79 54.32 2akk n ASP 7 Cb 0.63 0.00 0.50 0.00 -1.03 0.00 0.00 41.12 41.21 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 -1.43 2.00 0.00 0.00 5.15 -1.26 -4.99 115.26 114.72 2akk n ASN 9 Ca 0.07 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.32 2akk n ASN 9 Cb 0.23 -0.86 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 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 1.74 1.05 3.73 8.20 0.00 -1.16 -5.12 105.19 113.63 2akk n GLY 10 Ca -0.35 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.48 3.51 0.42 4.61 0.00 -1.26 -4.80 121.76 122.76 2akk s ALA 11 Ca 0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 51.96 51.47 2akk s ALA 11 Cb 0.00 -2.58 -0.08 0.00 0.00 0.00 0.00 23.12 20.45 2akk s ALA 11 CO 0.00 0.05 1.27 -0.51 0.00 0.00 0.00 175.76 176.57 2akk s LEU 12 N 0.47 4.16 0.40 0.00 1.43 -1.26 -1.24 118.68 122.64 2akk s LEU 12 Ca 0.24 2.57 0.08 0.00 -1.03 0.00 0.00 54.13 55.98 2akk s LEU 12 Cb -0.15 -3.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.05 2akk s LEU 12 CO 0.09 -0.88 0.27 -0.76 0.23 0.00 0.00 176.35 175.31 2akk s LEU 13 N -2.58 3.29 0.37 1.79 1.43 0.80 -4.89 118.68 118.88 2akk s LEU 13 Ca 0.59 -0.86 -0.17 0.00 -1.03 0.00 0.00 54.13 52.67 2akk s LEU 13 Cb -0.36 -1.80 0.05 0.00 0.03 0.00 0.00 46.19 44.11 2akk s LEU 13 CO 0.45 -0.55 0.79 0.00 0.23 0.00 0.00 176.35 177.27 2akk s ALA 14 N -2.50 -0.83 0.00 4.21 0.00 -1.26 -4.73 121.76 116.65 2akk s ALA 14 Ca 0.44 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 51.41 2akk s ALA 14 Cb -0.01 0.69 -0.07 0.00 0.00 0.00 0.00 23.12 23.74 2akk s ALA 14 CO 0.25 -1.00 1.61 0.34 0.00 0.00 0.00 175.76 176.96 2akk s ASP 15 N -3.07 6.68 0.00 0.00 -1.08 -1.26 -2.27 116.67 115.67 2akk s ASP 15 Ca 0.15 2.30 0.00 0.00 -0.52 0.00 0.00 52.55 54.49 2akk s ASP 15 Cb -0.05 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 2akk s ASP 15 CO 0.11 -0.87 0.00 0.61 0.52 0.00 0.00 175.17 175.54 2akk n GLY 16 N 3.99 0.92 3.94 2.66 0.00 0.13 -4.96 105.19 111.87 2akk n GLY 16 Ca 0.16 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.07 5.71 0.09 1.61 -1.08 -0.96 -4.73 116.67 115.24 2akk s ASP 17 Ca 0.00 0.39 0.09 0.00 -0.52 0.00 0.00 52.55 52.51 2akk s ASP 17 Cb 0.00 -1.53 -0.04 0.00 -1.46 0.00 0.00 42.92 39.90 2akk s ASP 17 CO 0.00 -0.85 -0.22 0.20 0.52 0.00 0.00 175.17 174.82 2akk s ASN 18 N -4.26 3.58 0.23 -0.34 0.02 -1.26 -0.56 114.94 112.35 2akk s ASN 18 Ca 0.51 -0.59 -0.04 0.00 -1.02 0.00 0.00 52.86 51.72 2akk s ASN 18 Cb -0.10 -0.42 -0.03 0.00 0.02 0.00 0.00 41.25 40.72 2akk s ASN 18 CO 0.40 0.21 0.26 0.68 0.02 0.00 0.00 177.10 178.67 2akk s VAL 19 N -1.01 0.00 0.08 1.60 -7.23 0.47 -0.23 120.40 114.08 2akk s VAL 19 Ca 0.15 -1.81 -0.15 0.00 -1.81 0.00 0.00 61.98 58.36 2akk s VAL 19 Cb -0.10 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.44 2akk s VAL 19 CO 0.06 0.00 0.36 -0.44 -0.31 0.00 0.00 175.10 174.78 2akk s SER 20 N -3.14 -0.19 -0.01 4.85 0.01 0.32 -0.13 113.70 115.41 2akk s SER 20 Ca 0.34 -0.24 -0.30 0.00 1.31 0.00 0.00 55.95 57.06 2akk s SER 20 Cb 0.04 0.42 -0.06 0.00 0.21 0.00 0.00 66.02 66.64 2akk s SER 20 CO 0.13 -0.74 1.46 -0.76 0.41 0.00 0.00 173.24 173.74 2akk s LEU 21 N -2.45 4.32 0.04 2.44 2.01 0.11 -0.08 118.68 125.07 2akk s LEU 21 Ca -0.01 2.16 0.24 0.00 0.01 0.00 0.00 54.13 56.53 2akk s LEU 21 Cb 0.01 -3.56 0.24 0.00 0.01 0.00 0.00 46.19 42.90 2akk s LEU 21 CO -0.08 -0.77 1.21 2.30 1.01 0.00 0.00 176.35 180.02 2akk n ILE 22 N 4.82 0.14 -4.02 -0.59 -5.35 -0.67 -1.21 119.36 112.48 2akk n ILE 22 Ca 0.14 -0.15 -0.11 0.00 -0.27 0.00 0.00 62.75 62.36 2akk n ILE 22 Cb 0.43 0.21 -0.04 0.00 -1.74 0.00 0.00 39.64 38.50 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 -3.11 1.72 -0.21 6.28 -2.85 -1.26 -4.89 119.74 115.43 2akk s LYS 23 Ca 0.07 -1.45 -0.21 0.00 -1.00 0.00 0.00 55.97 53.38 2akk s LYS 23 Cb 0.15 0.47 -0.02 0.00 -2.06 0.00 0.00 37.83 36.37 2akk s LYS 23 CO 0.76 -0.72 0.63 -0.51 0.10 0.00 0.00 175.35 175.61 2akk s ASP 24 N -3.10 6.67 -0.23 0.03 1.01 -1.26 -3.28 116.67 116.51 2akk s ASP 24 Ca 0.25 0.81 -0.00 0.00 0.71 0.00 0.00 52.55 54.32 2akk s ASP 24 Cb -0.01 -2.35 0.03 0.00 1.01 0.00 0.00 42.92 41.60 2akk s ASP 24 CO 0.13 -0.30 -0.11 -0.76 0.21 0.00 0.00 175.17 174.34 2akk s LEU 25 N 2.04 2.87 -0.18 1.23 2.01 0.07 -4.94 118.68 121.78 2akk s LEU 25 Ca 0.28 -0.87 -0.13 0.00 0.01 0.00 0.00 54.13 53.43 2akk s LEU 25 Cb -0.16 -1.59 -0.05 0.00 0.01 0.00 0.00 46.19 44.41 2akk s LEU 25 CO 0.10 -0.09 0.25 -0.75 1.01 0.00 0.00 176.35 176.87 2akk s LYS 26 N 1.28 4.23 0.16 1.70 2.36 -1.26 -0.39 119.74 127.81 2akk s LYS 26 Ca 0.00 0.01 0.03 0.00 -2.55 0.00 0.00 55.97 53.46 2akk s LYS 26 Cb -0.16 -3.44 -0.03 0.00 -1.05 0.00 0.00 37.83 33.15 2akk s LYS 26 CO -0.07 0.22 0.29 -0.51 1.55 0.00 0.00 175.35 176.83 2akk s LEU 27 N 0.54 4.34 1.02 5.43 2.01 0.26 -4.95 118.68 127.34 2akk s LEU 27 Ca 0.14 0.17 -0.16 0.00 0.01 0.00 0.00 54.13 54.28 2akk s LEU 27 Cb -0.13 -2.91 0.21 0.00 0.01 0.00 0.00 46.19 43.38 2akk s LEU 27 CO 0.03 0.04 1.23 -0.54 1.01 0.00 0.00 176.35 178.11 2akk s LYS 28 N -3.31 0.19 1.44 1.70 1.02 -1.26 -2.65 119.74 116.87 2akk s LYS 28 Ca 0.35 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.14 2akk s LYS 28 Cb -0.11 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 2akk s LYS 28 CO 0.29 -2.75 0.00 0.41 -0.92 0.00 0.00 175.35 172.38 2akk n GLY 29 N -2.69 1.82 0.01 -3.33 0.00 -1.26 -3.56 105.19 96.19 2akk n GLY 29 Ca 0.13 0.15 0.16 0.00 0.00 0.00 0.00 46.02 46.46 2akk n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2akk n SER 30 N 4.95 0.02 -2.73 1.61 7.64 -1.26 -4.87 113.62 118.98 2akk n SER 30 Ca 0.00 -0.87 -0.22 0.00 1.01 0.00 0.00 58.87 58.79 2akk n SER 30 Cb 0.00 -0.04 0.02 0.00 -1.01 0.00 0.00 64.21 63.17 2akk n SER 30 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2akk n SER 31 N -1.03 -6.05 -4.59 6.43 7.64 -1.20 -4.88 113.62 109.94 2akk n SER 31 Ca 0.22 -0.17 -0.42 0.00 1.01 0.00 0.00 58.87 59.51 2akk n SER 31 Cb 0.13 -4.95 -0.03 0.00 -1.01 0.00 0.00 64.21 58.36 2akk n SER 31 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2akk s THR 32 N -3.12 3.38 -0.60 0.44 2.01 -1.08 -4.73 115.64 111.93 2akk s THR 32 Ca 0.17 0.38 -0.18 0.00 0.31 0.00 0.00 61.69 62.37 2akk s THR 32 Cb -0.08 -3.55 0.11 0.00 0.01 0.00 0.00 72.50 69.00 2akk s THR 32 CO 0.21 -0.37 0.68 -0.69 -0.69 0.00 0.00 174.62 173.76 2akk s VAL 33 N 7.39 4.93 0.24 3.82 1.01 -1.26 0.93 120.40 137.46 2akk s VAL 33 Ca 0.83 -1.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 2akk s VAL 33 Cb -0.23 -4.47 -0.08 0.00 0.00 0.00 0.00 36.38 31.60 2akk s VAL 33 CO 0.33 -1.08 0.72 -0.76 0.00 0.00 0.00 175.10 174.31 2akk s LEU 34 N 2.36 4.28 0.32 3.92 1.02 0.47 -4.94 118.68 126.11 2akk s LEU 34 Ca 0.11 1.38 0.08 0.00 0.02 0.00 0.00 54.13 55.72 2akk s LEU 34 Cb -0.24 -3.68 -0.04 0.00 0.02 0.00 0.00 46.19 42.25 2akk s LEU 34 CO 0.04 -0.02 0.14 -0.54 0.02 0.00 0.00 176.35 176.00 2akk s LYS 35 N -2.19 2.46 0.62 1.70 -0.14 -1.26 -0.75 119.74 120.19 2akk s LYS 35 Ca 0.45 -1.44 -0.19 0.00 -1.36 0.00 0.00 55.97 53.44 2akk s LYS 35 Cb -0.15 -2.25 -0.02 0.00 -1.68 0.00 0.00 37.83 33.72 2akk s LYS 35 CO 0.20 0.18 1.30 0.50 -0.76 0.00 0.00 175.35 176.77 2akk s ARG 36 N -3.84 2.71 0.00 1.68 3.52 -1.21 -3.30 118.95 118.52 2akk s ARG 36 Ca 0.36 2.08 0.00 0.00 -0.13 0.00 0.00 55.73 58.04 2akk s ARG 36 Cb -0.04 -1.93 0.00 0.00 -1.56 0.00 0.00 34.95 31.41 2akk s ARG 36 CO 0.23 -1.48 0.00 0.41 -0.81 0.00 0.00 175.30 173.65 2akk n GLY 37 N 0.83 0.90 3.67 8.12 0.00 -0.35 -4.98 105.19 113.38 2akk n GLY 37 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.75 3.58 -0.09 2.61 2.01 -1.21 -4.73 115.64 115.07 2akk s THR 38 Ca 0.00 0.82 -0.22 0.00 0.31 0.00 0.00 61.69 62.60 2akk s THR 38 Cb 0.00 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 2akk s THR 38 CO 0.00 -0.05 0.65 -0.32 -0.69 0.00 0.00 174.62 174.21 2akk s MET 39 N 3.44 4.40 -0.46 4.92 1.75 -1.26 0.05 119.30 132.13 2akk s MET 39 Ca 0.70 0.77 0.03 0.00 -1.25 0.00 0.00 55.69 55.94 2akk s MET 39 Cb -0.33 -3.46 0.12 0.00 2.84 0.00 0.00 34.83 34.01 2akk s MET 39 CO 0.28 0.05 0.21 0.42 -0.65 0.00 0.00 175.02 175.33 2akk s ILE 40 N 0.87 2.25 -0.12 10.11 1.01 0.81 -4.21 121.20 131.93 2akk s ILE 40 Ca 0.34 -2.92 -0.03 0.00 0.00 0.00 0.00 60.65 58.05 2akk s ILE 40 Cb -0.17 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 2akk s ILE 40 CO 0.16 -0.77 0.00 0.00 0.00 0.00 0.00 174.94 174.33 2akk s ARG 41 N 0.14 3.29 0.00 2.79 1.70 -1.02 -0.40 118.95 125.45 2akk s ARG 41 Ca 0.16 -0.42 0.00 0.00 -0.47 0.00 0.00 55.73 55.00 2akk s ARG 41 Cb -0.24 -2.88 0.00 0.00 -0.57 0.00 0.00 34.95 31.26 2akk s ARG 41 CO -0.03 0.54 0.00 0.41 -1.08 0.00 0.00 175.30 175.14 2akk n GLY 42 N 2.65 0.59 3.89 3.88 0.00 -0.27 -4.27 105.19 111.66 2akk n GLY 42 Ca -0.18 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.22 3.87 0.15 -0.61 -5.25 0.28 -3.30 121.20 115.11 2akk s ILE 43 Ca 0.00 -1.27 -0.05 0.00 -0.99 0.00 0.00 60.65 58.34 2akk s ILE 43 Cb 0.00 -3.30 -0.02 0.00 2.95 0.00 0.00 42.46 42.08 2akk s ILE 43 CO 0.00 -0.20 0.18 0.00 -1.79 0.00 0.00 174.94 173.12 2akk s ARG 44 N -4.01 1.05 0.43 0.37 1.70 0.15 0.21 118.95 118.85 2akk s ARG 44 Ca 0.40 -1.31 -0.19 0.00 -0.47 0.00 0.00 55.73 54.16 2akk s ARG 44 Cb -0.07 0.31 -0.10 0.00 -0.57 0.00 0.00 34.95 34.52 2akk s ARG 44 CO 0.27 -0.35 0.93 -0.51 -1.08 0.00 0.00 175.30 174.57 2akk s LEU 45 N -3.01 3.89 0.00 -1.89 1.43 -1.26 -0.98 118.68 116.86 2akk s LEU 45 Ca 0.21 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 2akk s LEU 45 Cb 0.05 -4.48 0.00 0.00 0.03 0.00 0.00 46.19 41.79 2akk s LEU 45 CO 0.01 -0.39 0.00 0.35 0.23 0.00 0.00 176.35 176.55 2akk n THR 46 N -0.79 0.00 1.13 5.49 -2.24 -1.23 -4.76 114.28 111.87 2akk n THR 46 Ca 0.06 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.99 2akk n THR 46 Cb 0.54 -0.24 0.66 0.00 -2.10 0.00 0.00 70.33 69.19 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 0.00 0.00 -4.95 3.42 8.00 -1.26 -4.84 116.55 116.91 2akk n ASP 47 Ca 0.00 0.28 -0.23 0.00 0.71 0.00 0.00 54.79 55.55 2akk n ASP 47 Cb 0.00 -0.43 -0.00 0.00 -0.02 0.00 0.00 41.12 40.67 2akk n ASP 47 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2akk s SER 48 N -2.85 6.13 0.00 -2.24 0.15 -1.26 -5.01 113.70 108.62 2akk s SER 48 Ca 0.19 0.31 0.21 0.00 0.70 0.00 0.00 55.95 57.36 2akk s SER 48 Cb 0.19 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.67 2akk s SER 48 CO 0.50 -0.41 1.03 -0.62 1.20 0.00 0.00 173.24 174.93 2akk n GLU 49 N -1.83 1.21 0.00 5.44 1.02 -1.26 -4.38 120.64 120.83 2akk n GLU 49 Ca -0.03 -0.87 0.00 0.00 -0.02 0.00 0.00 57.16 56.24 2akk n GLU 49 Cb 0.57 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 2akk n GLU 49 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2akk n ASP 50 N -0.18 0.46 -4.33 1.62 9.92 -1.26 -3.89 116.55 118.90 2akk n ASP 50 Ca 0.08 -1.04 -0.30 0.00 -0.53 0.00 0.00 54.79 53.00 2akk n ASP 50 Cb 0.43 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.76 2akk n ASP 50 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2akk s GLU 51 N -0.04 1.83 0.21 -1.24 8.01 -1.26 0.13 118.70 126.34 2akk s GLU 51 Ca 0.00 -1.05 0.03 0.00 0.01 0.00 0.00 54.97 53.95 2akk s GLU 51 Cb 0.00 -1.95 -0.05 0.00 -4.31 0.00 0.00 34.13 27.82 2akk s GLU 51 CO 0.00 0.51 0.01 0.96 0.01 0.00 0.00 175.26 176.75 2akk s ILE 52 N -0.76 0.83 -0.11 -1.63 -5.25 0.11 -3.53 121.20 110.86 2akk s ILE 52 Ca 0.11 -2.01 0.02 0.00 -0.99 0.00 0.00 60.65 57.78 2akk s ILE 52 Cb -0.10 -2.26 0.01 0.00 2.95 0.00 0.00 42.46 43.07 2akk s ILE 52 CO 0.01 -0.37 -0.16 -0.70 -1.79 0.00 0.00 174.94 171.94 2akk s GLU 53 N -3.90 2.25 0.00 0.37 -6.30 -0.15 0.26 118.70 111.22 2akk s GLU 53 Ca 0.27 -0.57 0.00 0.00 -2.50 0.00 0.00 54.97 52.17 2akk s GLU 53 Cb 0.06 -1.90 0.00 0.00 0.00 0.00 0.00 34.13 32.29 2akk s GLU 53 CO 0.07 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.70 2akk n GLY 54 N 4.18 3.16 3.05 -1.50 0.00 -0.60 0.33 105.19 113.82 2akk n GLY 54 Ca -0.19 -1.19 -0.16 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.03 0.62 0.40 1.61 1.70 -1.21 -0.47 118.95 120.58 2akk s ARG 55 Ca 0.00 -0.55 0.01 0.00 -0.47 0.00 0.00 55.73 54.72 2akk s ARG 55 Cb 0.00 -0.54 -0.00 0.00 -0.57 0.00 0.00 34.95 33.84 2akk s ARG 55 CO 0.00 0.13 0.03 -2.37 -1.08 0.00 0.00 175.30 172.01 2akk n THR 56 N 2.13 0.00 0.30 4.99 5.66 0.10 -2.43 114.28 125.03 2akk n THR 56 Ca -0.18 -1.99 0.18 0.00 -3.05 0.00 0.00 64.05 59.02 2akk n THR 56 Cb 0.56 0.48 0.86 0.00 -1.55 0.00 0.00 70.33 70.68 2akk n THR 56 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2akk h ASP 57 N 1.10 0.00 0.00 1.09 3.32 -1.97 -3.32 116.42 116.64 2akk h ASP 57 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2akk h ASP 57 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2akk h ASP 57 CO 0.54 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 178.35 2akk n LYS 58 N -2.88 0.00 -3.38 3.56 5.02 -1.26 -4.99 118.16 114.23 2akk n LYS 58 Ca -0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 2akk n LYS 58 Cb 0.17 -0.32 -0.08 0.00 -0.02 0.00 0.00 35.03 34.78 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 -0.66 5.18 -0.25 -0.18 1.09 -1.25 -5.06 121.20 120.08 2akk s ILE 59 Ca 0.00 0.65 -0.08 0.00 -1.10 0.00 0.00 60.65 60.12 2akk s ILE 59 Cb 0.00 -3.72 -0.04 0.00 -1.06 0.00 0.00 42.46 37.64 2akk s ILE 59 CO 0.00 0.20 0.10 -1.59 -0.10 0.00 0.00 174.94 173.55 2akk s LYS 60 N 1.71 3.77 0.00 2.79 -2.85 -1.26 0.01 119.74 123.91 2akk s LYS 60 Ca 0.17 -0.42 0.00 0.00 -1.00 0.00 0.00 55.97 54.72 2akk s LYS 60 Cb -0.15 -3.39 0.00 0.00 -2.06 0.00 0.00 37.83 32.23 2akk s LYS 60 CO 0.09 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 175.83 2akk n GLY 61 N 4.76 0.58 3.43 0.59 0.00 0.38 -4.94 105.19 109.99 2akk n GLY 61 Ca -0.16 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.17 2.52 -0.32 0.99 2.34 0.11 -4.88 118.68 118.26 2akk s LEU 62 Ca 0.00 -0.31 -0.18 0.00 0.06 0.00 0.00 54.13 53.71 2akk s LEU 62 Cb 0.00 -1.49 -0.01 0.00 -0.56 0.00 0.00 46.19 44.13 2akk s LEU 62 CO 0.00 0.33 0.49 -0.69 -1.06 0.00 0.00 176.35 175.42 2akk s VAL 63 N -0.72 5.05 0.10 1.48 1.01 -1.26 -1.55 120.40 124.50 2akk s VAL 63 Ca 0.11 0.47 0.05 0.00 0.00 0.00 0.00 61.98 62.62 2akk s VAL 63 Cb -0.10 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 2akk s VAL 63 CO 0.01 -0.11 -0.14 -0.76 0.00 0.00 0.00 175.10 174.10 2akk s LEU 64 N 2.33 2.35 0.10 3.92 1.43 0.14 -4.95 118.68 124.00 2akk s LEU 64 Ca 0.19 -0.73 -0.31 0.00 -1.03 0.00 0.00 54.13 52.25 2akk s LEU 64 Cb -0.16 -0.52 -0.07 0.00 0.03 0.00 0.00 46.19 45.48 2akk s LEU 64 CO 0.12 -0.12 1.23 0.00 0.23 0.00 0.00 176.35 177.81 2akk s ARG 65 N -2.28 4.42 -0.10 1.70 1.70 -1.26 0.07 118.95 123.21 2akk s ARG 65 Ca 0.04 1.85 0.02 0.00 -0.47 0.00 0.00 55.73 57.17 2akk s ARG 65 Cb -0.07 -3.31 0.21 0.00 -0.57 0.00 0.00 34.95 31.21 2akk s ARG 65 CO 0.02 -0.26 1.09 -2.37 -1.08 0.00 0.00 175.30 172.71 2akk n THR 66 N 3.64 1.27 0.19 4.99 5.66 0.12 -3.77 114.28 126.38 2akk n THR 66 Ca 0.08 -0.48 0.12 0.00 -3.05 0.00 0.00 64.05 60.72 2akk n THR 66 Cb 0.45 -0.68 0.12 0.00 -1.55 0.00 0.00 70.33 68.67 2akk n THR 66 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2akk h GLU 67 N 0.63 0.00 -0.05 1.09 4.11 -1.88 -3.19 114.58 115.29 2akk h GLU 67 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 2akk h GLU 67 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2akk h GLU 67 CO 0.24 0.00 0.00 1.97 0.07 0.00 0.00 179.01 181.29 2akk n PHE 68 N -2.95 0.16 -4.31 2.06 1.16 -1.25 -4.60 117.46 107.73 2akk n PHE 68 Ca 0.03 -0.86 -0.30 0.00 -1.87 0.00 0.00 57.45 54.45 2akk n PHE 68 Cb 0.53 -0.15 -0.11 0.00 -1.61 0.00 0.00 39.48 38.15 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 -2.41 2.89 -0.11 5.98 1.43 -1.21 -1.67 118.68 123.59 2akk s LEU 69 Ca 0.27 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 2akk s LEU 69 Cb 0.22 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.74 2akk s LEU 69 CO 0.04 0.19 -0.23 -0.75 0.23 0.00 0.00 176.35 175.83 2akk s LYS 70 N -2.05 3.07 -0.08 1.70 2.36 0.88 -1.28 119.74 124.34 2akk s LYS 70 Ca 0.19 -0.86 -0.29 0.00 -2.55 0.00 0.00 55.97 52.46 2akk s LYS 70 Cb -0.11 -2.35 -0.07 0.00 -1.05 0.00 0.00 37.83 34.25 2akk s LYS 70 CO 0.11 0.15 1.97 0.21 1.55 0.00 0.00 175.35 179.33 2akk s LYS 71 N 0.43 3.81 -0.19 4.03 2.20 -1.26 -0.52 119.74 128.24 2akk s LYS 71 Ca -0.16 2.28 0.01 0.00 -0.36 0.00 0.00 55.97 57.74 2akk s LYS 71 Cb -0.17 -4.19 0.24 0.00 -1.51 0.00 0.00 37.83 32.20 2akk s LYS 71 CO 0.07 -1.32 1.48 0.00 -0.36 0.00 0.00 175.35 175.22 2akk n ALA 72 N 8.82 3.93 0.56 3.13 0.00 0.69 -3.98 120.51 133.66 2akk n ALA 72 Ca 0.22 -1.16 0.13 0.00 0.00 0.00 0.00 53.44 52.63 2akk n ALA 72 Cb 0.43 -1.20 0.32 0.00 0.00 0.00 0.00 19.45 19.00 2akk n ALA 72 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2akk h GLY 73 N 2.80 0.00 0.00 0.00 0.00 -1.89 -3.46 103.07 100.52 2akk h GLY 73 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2akk h GLY 73 CO 0.47 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.45