#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i71 s TYR 2 N -3.83 1.92 -0.09 0.00 1.13 -1.01 -4.78 117.35 110.69 1i71 s TYR 2 Ca 0.12 -0.79 0.00 0.00 -1.41 0.00 0.00 57.07 54.99 1i71 s TYR 2 Cb -0.05 -1.15 -0.03 0.00 -1.10 0.00 0.00 41.96 39.63 1i71 s TYR 2 CO 0.08 0.17 -0.08 -1.01 -2.51 0.00 0.00 175.55 172.20 1i71 s HIS 3 N -3.13 2.91 0.00 -3.49 3.76 -1.26 -0.54 115.29 113.53 1i71 s HIS 3 Ca 0.31 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 55.09 1i71 s HIS 3 Cb 0.05 -1.76 0.00 0.00 1.11 0.00 0.00 32.58 31.99 1i71 s HIS 3 CO 0.12 0.19 0.00 0.41 -0.85 0.00 0.00 174.74 174.61 1i71 n GLY 4 N 2.61 3.83 0.59 -2.22 0.00 -1.26 -1.06 105.19 107.67 1i71 n GLY 4 Ca -0.18 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 45.90 1i71 n GLY 4 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i71 n ASP 5 N 6.07 1.73 0.00 1.61 5.75 -1.26 -4.84 116.55 125.61 1i71 n ASP 5 Ca 0.00 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 1i71 n ASP 5 Cb 0.00 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1i71 n ASP 5 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i71 n GLY 6 N 1.09 0.60 0.27 6.12 0.00 -0.22 -2.84 105.19 110.22 1i71 n GLY 6 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1i71 n GLY 6 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1i71 h GLN 7 N 1.44 0.00 -0.01 1.61 4.20 -1.78 -1.71 115.11 118.87 1i71 h GLN 7 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1i71 h GLN 7 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1i71 h GLN 7 CO 0.00 0.00 -0.27 -1.13 -0.67 0.00 0.00 178.83 176.76 1i71 n SER 8 N -4.50 0.80 -4.70 1.46 3.41 -1.26 -4.73 113.62 104.10 1i71 n SER 8 Ca -0.02 -0.68 -0.42 0.00 -0.26 0.00 0.00 58.87 57.50 1i71 n SER 8 Cb 0.14 0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 1i71 n SER 8 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1i71 s TYR 9 N -2.60 2.53 -0.06 7.33 5.04 -0.64 -4.88 117.35 124.05 1i71 s TYR 9 Ca 0.22 0.20 0.17 0.00 -2.44 0.00 0.00 57.07 55.22 1i71 s TYR 9 Cb 0.19 -4.13 0.33 0.00 0.35 0.00 0.00 41.96 38.71 1i71 s TYR 9 CO 0.55 -4.46 1.15 0.54 -1.34 0.00 0.00 175.55 171.99 1i71 n ARG 10 N 4.90 0.51 -0.93 4.97 5.12 -1.26 -4.81 116.66 125.17 1i71 n ARG 10 Ca 0.17 -2.19 -0.17 0.00 -1.93 0.00 0.00 57.85 53.73 1i71 n ARG 10 Cb 0.37 -0.64 0.13 0.00 -1.16 0.00 0.00 32.46 31.16 1i71 n ARG 10 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i71 n GLY 11 N -0.18 -1.79 1.04 -0.13 0.00 -1.26 -5.01 105.19 97.86 1i71 n GLY 11 Ca 0.09 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.57 1i71 n GLY 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i71 n SER 12 N -3.69 3.82 -4.77 1.61 3.41 -1.26 -4.70 113.62 108.04 1i71 n SER 12 Ca 0.09 -2.42 -0.39 0.00 -0.26 0.00 0.00 58.87 55.90 1i71 n SER 12 Cb 0.33 -0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 63.84 1i71 n SER 12 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1i71 s PHE 13 N -1.77 2.86 -0.18 7.33 5.36 -1.26 -4.84 117.98 125.49 1i71 s PHE 13 Ca 0.38 1.47 0.17 0.00 -0.96 0.00 0.00 56.93 58.00 1i71 s PHE 13 Cb 0.25 -3.55 0.38 0.00 -0.34 0.00 0.00 43.02 39.76 1i71 s PHE 13 CO 0.17 -1.83 1.22 -1.13 -1.46 0.00 0.00 175.22 172.19 1i71 n SER 14 N -0.08 0.22 -4.18 6.13 3.41 -1.26 -0.45 113.62 117.41 1i71 n SER 14 Ca 0.05 -2.06 -0.26 0.00 -0.26 0.00 0.00 58.87 56.34 1i71 n SER 14 Cb 0.45 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 64.24 1i71 n SER 14 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1i71 s THR 15 N -1.27 1.46 0.76 6.66 2.01 -1.26 -1.58 115.64 122.41 1i71 s THR 15 Ca 0.19 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.32 1i71 s THR 15 Cb 0.31 -1.22 0.09 0.00 0.01 0.00 0.00 72.50 71.70 1i71 s THR 15 CO -0.09 0.41 1.08 0.42 -0.69 0.00 0.00 174.62 175.75 1i71 s THR 16 N -0.43 2.19 -0.06 -0.82 -4.23 0.07 -1.13 115.64 111.22 1i71 s THR 16 Ca 0.07 -0.23 0.27 0.00 -1.18 0.00 0.00 61.69 60.62 1i71 s THR 16 Cb -0.07 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 71.09 1i71 s THR 16 CO -0.01 0.00 1.82 -0.37 -0.54 0.00 0.00 174.62 175.53 1i71 h VAL 17 N -0.80 0.00 -0.46 2.29 -1.51 -1.47 -0.54 116.25 113.77 1i71 h VAL 17 Ca -0.44 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1i71 h VAL 17 Cb 1.30 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1i71 h VAL 17 CO 0.56 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.25 1i71 n THR 18 N -2.46 1.05 -0.76 7.19 -2.24 -1.26 -4.94 114.28 110.87 1i71 n THR 18 Ca -0.01 -1.02 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 1i71 n THR 18 Cb 0.09 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1i71 n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i71 n GLY 19 N 0.84 0.71 3.84 3.38 0.00 -0.21 -5.05 105.19 108.70 1i71 n GLY 19 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1i71 n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i71 s ARG 20 N -0.24 3.77 0.05 1.61 0.52 -1.26 -4.73 118.95 118.67 1i71 s ARG 20 Ca 0.00 0.96 -0.18 0.00 -0.52 0.00 0.00 55.73 55.99 1i71 s ARG 20 Cb 0.00 -2.11 -0.06 0.00 0.52 0.00 0.00 34.95 33.30 1i71 s ARG 20 CO 0.00 -0.42 0.54 0.99 0.02 0.00 0.00 175.30 176.42 1i71 s THR 21 N -2.69 4.81 0.44 0.02 2.01 -1.26 -0.75 115.64 118.21 1i71 s THR 21 Ca 0.59 1.14 -0.23 0.00 0.31 0.00 0.00 61.69 63.50 1i71 s THR 21 Cb -0.11 -3.86 -0.08 0.00 0.01 0.00 0.00 72.50 68.46 1i71 s THR 21 CO 0.36 0.55 1.14 0.00 -0.69 0.00 0.00 174.62 175.99 1i71 s GLN 23 N -2.64 4.26 0.29 0.00 0.74 0.14 -4.63 119.66 117.82 1i71 s GLN 23 Ca 0.62 0.88 -0.30 0.00 0.05 0.00 0.00 55.36 56.61 1i71 s GLN 23 Cb -0.27 -2.87 -0.11 0.00 1.10 0.00 0.00 33.01 30.85 1i71 s GLN 23 CO 0.33 0.39 1.58 0.45 -0.55 0.00 0.00 175.29 177.50 1i71 s SER 24 N -1.66 6.39 0.57 6.67 0.15 -1.26 -4.55 113.70 120.01 1i71 s SER 24 Ca 0.43 2.93 0.35 0.00 0.70 0.00 0.00 55.95 60.36 1i71 s SER 24 Cb -0.17 -2.63 1.69 0.00 -1.71 0.00 0.00 66.02 63.20 1i71 s SER 24 CO 0.21 -0.90 2.12 -0.50 1.20 0.00 0.00 173.24 175.37 1i71 h TRP 25 N 4.84 0.00 -0.01 3.44 4.06 -1.44 -2.08 115.95 124.77 1i71 h TRP 25 Ca -0.47 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.48 1i71 h TRP 25 Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 1i71 h TRP 25 CO 0.59 0.05 -0.23 -1.13 -3.56 0.00 0.00 178.44 174.16 1i71 n SER 26 N -3.28 0.95 -4.92 -3.49 3.41 -1.26 -4.53 113.62 100.50 1i71 n SER 26 Ca -0.01 -0.85 -0.31 0.00 -0.26 0.00 0.00 58.87 57.44 1i71 n SER 26 Cb 0.22 0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 1i71 n SER 26 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1i71 s SER 27 N -2.49 6.37 -0.03 4.04 0.15 -0.78 -4.99 113.70 115.96 1i71 s SER 27 Ca 0.25 0.29 0.13 0.00 0.70 0.00 0.00 55.95 57.32 1i71 s SER 27 Cb 0.19 -1.97 0.39 0.00 -1.71 0.00 0.00 66.02 62.93 1i71 s SER 27 CO 0.51 0.16 1.33 0.23 1.20 0.00 0.00 173.24 176.66 1i71 n MET 28 N 0.24 2.93 -4.63 5.44 0.00 -1.26 -4.78 117.12 115.05 1i71 n MET 28 Ca -0.05 -2.27 -0.23 0.00 0.00 0.00 0.00 57.70 55.15 1i71 n MET 28 Cb 0.51 -1.42 -0.16 0.00 0.00 0.00 0.00 33.22 32.16 1i71 n MET 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1i71 s THR 29 N -1.32 1.12 -1.59 2.03 2.01 -1.26 -2.53 115.64 114.10 1i71 s THR 29 Ca 0.30 -0.56 0.28 0.00 0.31 0.00 0.00 61.69 62.01 1i71 s THR 29 Cb 0.18 -0.97 0.57 0.00 0.01 0.00 0.00 72.50 72.29 1i71 s THR 29 CO 0.17 0.33 1.96 -0.81 -0.69 0.00 0.00 174.62 175.58 1i71 n PRO 30 N 3.10 0.53 -4.70 4.92 -0.04 -1.26 -4.82 135.00 132.73 1i71 n PRO 30 Ca -0.17 0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 62.98 1i71 n PRO 30 Cb 0.54 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.34 1i71 n PRO 30 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1i71 s HIS 31 N -2.41 2.68 0.20 0.54 3.76 -1.20 -4.96 115.29 113.91 1i71 s HIS 31 Ca 0.30 -1.25 -0.30 0.00 -0.15 0.00 0.00 55.06 53.66 1i71 s HIS 31 Cb 0.19 -1.82 -0.08 0.00 1.11 0.00 0.00 32.58 31.98 1i71 s HIS 31 CO 0.39 -0.56 0.96 -0.46 -0.85 0.00 0.00 174.74 174.21 1i71 s TRP 32 N 0.76 3.91 0.27 1.40 -0.00 -1.05 -4.31 118.94 119.92 1i71 s TRP 32 Ca -0.08 1.87 -0.20 0.00 -0.00 0.00 0.00 56.10 57.68 1i71 s TRP 32 Cb -0.16 -3.02 0.05 0.00 -0.00 0.00 0.00 33.47 30.34 1i71 s TRP 32 CO -0.00 0.32 0.84 -3.38 -0.00 0.00 0.00 176.95 174.72 1i71 s HIS 33 N -0.81 -0.05 -0.16 5.86 -3.43 -1.26 -5.06 115.29 110.39 1i71 s HIS 33 Ca 0.43 -0.44 0.15 0.00 -0.80 0.00 0.00 55.06 54.41 1i71 s HIS 33 Cb -0.26 0.73 0.34 0.00 -1.43 0.00 0.00 32.58 31.97 1i71 s HIS 33 CO 0.32 -1.21 1.18 1.04 -2.00 0.00 0.00 174.74 174.06 1i71 n GLN 34 N -0.52 1.36 -2.91 -0.38 6.02 -1.26 -4.84 117.38 114.85 1i71 n GLN 34 Ca -0.06 -2.85 -0.44 0.00 -0.01 0.00 0.00 57.00 53.65 1i71 n GLN 34 Cb 0.60 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.36 1i71 n GLN 34 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1i71 n ARG 35 N -1.23 3.71 -4.46 -1.09 3.00 -1.26 -4.73 116.66 110.60 1i71 n ARG 35 Ca 0.17 -4.07 -0.25 0.00 -0.01 0.00 0.00 57.85 53.68 1i71 n ARG 35 Cb 0.67 -2.78 -0.10 0.00 0.00 0.00 0.00 32.46 30.26 1i71 n ARG 35 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1i71 s THR 36 N -0.36 2.40 0.53 0.55 -4.23 -1.26 -4.80 115.64 108.47 1i71 s THR 36 Ca 0.37 -2.11 0.19 0.00 -1.18 0.00 0.00 61.69 58.96 1i71 s THR 36 Cb 0.00 -2.71 0.30 0.00 1.34 0.00 0.00 72.50 71.42 1i71 s THR 36 CO 0.00 -0.20 2.14 0.71 -0.54 0.00 0.00 174.62 176.73 1i71 h THR 37 N 1.93 0.92 -0.47 3.99 1.35 -1.83 0.70 112.91 119.50 1i71 h THR 37 Ca -0.42 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.40 1i71 h THR 37 Cb 1.25 0.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.61 1i71 h THR 37 CO 0.69 0.00 0.15 -0.08 -0.25 0.00 0.00 175.52 176.03 1i71 h GLU 38 N 0.00 0.73 0.00 4.72 4.81 -1.95 -1.76 114.58 121.13 1i71 h GLU 38 Ca 0.04 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1i71 h GLU 38 Cb 0.14 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1i71 h GLU 38 CO -0.00 0.70 -0.85 1.88 -0.73 0.00 0.00 179.01 180.01 1i71 h TYR 39 N 0.63 0.00 -2.11 0.92 0.99 -1.67 -3.38 116.97 112.35 1i71 h TYR 39 Ca 0.15 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 60.32 1i71 h TYR 39 Cb 0.27 0.00 -0.41 0.00 1.00 0.00 0.00 36.73 37.59 1i71 h TYR 39 CO 0.01 0.18 -0.90 0.66 -0.00 0.00 0.00 178.16 178.12 1i71 n TYR 40 N -2.87 1.72 0.29 4.88 4.02 0.17 -4.95 117.16 120.43 1i71 n TYR 40 Ca -0.01 -3.87 0.19 0.00 -0.01 0.00 0.00 57.90 54.20 1i71 n TYR 40 Cb 0.63 -0.45 0.98 0.00 -0.02 0.00 0.00 39.34 40.48 1i71 n TYR 40 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1i71 h PRO 41 N 3.64 0.00 -0.26 -0.72 0.13 -1.51 -1.76 132.00 131.51 1i71 h PRO 41 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1i71 h PRO 41 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1i71 h PRO 41 CO 0.64 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.50 1i71 n ASN 42 N -3.37 3.72 -0.42 1.44 3.02 -1.26 -4.55 115.26 113.84 1i71 n ASN 42 Ca -0.01 -2.90 0.12 0.00 -0.03 0.00 0.00 54.58 51.76 1i71 n ASN 42 Cb 0.21 -0.50 0.12 0.00 -0.61 0.00 0.00 39.78 39.00 1i71 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i71 n GLY 43 N -0.41 -0.15 3.44 7.41 0.00 -0.66 -4.97 105.19 109.84 1i71 n GLY 43 Ca 0.20 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 1i71 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i71 n GLY 44 N 1.39 -0.53 3.58 -0.02 0.00 -1.26 -4.76 105.19 103.59 1i71 n GLY 44 Ca 0.10 0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 1i71 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i71 s LEU 45 N -7.10 3.61 0.01 0.99 1.43 -1.26 -4.93 118.68 111.43 1i71 s LEU 45 Ca 0.52 -2.07 0.02 0.00 -1.03 0.00 0.00 54.13 51.57 1i71 s LEU 45 Cb -0.23 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1i71 s LEU 45 CO 0.64 -1.63 -0.02 -0.89 0.23 0.00 0.00 176.35 174.68 1i71 s THR 46 N 5.81 3.98 0.00 5.49 2.01 -1.26 -4.66 115.64 127.01 1i71 s THR 46 Ca 0.56 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1i71 s THR 46 Cb 0.02 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.75 1i71 s THR 46 CO 0.06 0.35 0.00 0.54 -0.69 0.00 0.00 174.62 174.87 1i71 n ARG 47 N 1.33 0.00 -0.80 4.92 1.74 -1.26 -1.73 116.66 120.86 1i71 n ARG 47 Ca -0.14 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.99 1i71 n ARG 47 Cb 0.53 0.00 0.16 0.00 -1.02 0.00 0.00 32.46 32.12 1i71 n ARG 47 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1i71 n ASN 48 N 2.59 1.54 -4.77 0.55 6.94 -1.26 -1.12 115.26 119.72 1i71 n ASN 48 Ca 0.00 -3.39 -0.40 0.00 -0.02 0.00 0.00 54.58 50.77 1i71 n ASN 48 Cb 0.00 -0.47 -0.03 0.00 -2.36 0.00 0.00 39.78 36.92 1i71 n ASN 48 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1i71 s TYR 49 N -2.39 3.26 0.22 -2.53 2.02 -0.71 -4.63 117.35 112.59 1i71 s TYR 49 Ca 0.36 1.54 -0.32 0.00 -0.37 0.00 0.00 57.07 58.28 1i71 s TYR 49 Cb 0.37 -3.51 -0.13 0.00 -0.40 0.00 0.00 41.96 38.29 1i71 s TYR 49 CO -0.09 -1.31 1.61 0.00 -1.57 0.00 0.00 175.55 174.19 1i71 s ARG 51 N 0.50 1.30 -0.48 0.00 1.81 -0.68 -4.76 118.95 116.64 1i71 s ARG 51 Ca 0.73 -1.17 0.05 0.00 -1.72 0.00 0.00 55.73 53.62 1i71 s ARG 51 Cb -0.57 0.42 0.20 0.00 -0.45 0.00 0.00 34.95 34.55 1i71 s ARG 51 CO 0.40 -0.51 0.46 -1.71 -0.68 0.00 0.00 175.30 173.26 1i71 n ASN 52 N -0.28 0.74 0.00 0.23 4.05 -1.26 -0.53 115.26 118.21 1i71 n ASN 52 Ca -0.06 -2.72 0.10 0.00 0.45 0.00 0.00 54.58 52.36 1i71 n ASN 52 Cb 0.63 -0.62 0.48 0.00 1.23 0.00 0.00 39.78 41.50 1i71 n ASN 52 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1i71 n PRO 53 N 2.08 0.10 0.00 1.20 -0.04 -1.26 -4.33 135.00 132.75 1i71 n PRO 53 Ca 0.26 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1i71 n PRO 53 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1i71 n PRO 53 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1i71 n ASP 54 N -1.43 0.00 -2.36 3.54 9.92 -1.26 -4.98 116.55 119.97 1i71 n ASP 54 Ca 0.07 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.22 1i71 n ASP 54 Cb 0.22 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.74 1i71 n ASP 54 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i71 n ALA 55 N -3.00 3.76 -1.56 2.24 0.00 -1.26 -4.96 120.51 115.73 1i71 n ALA 55 Ca 0.00 -3.25 -0.30 0.00 0.00 0.00 0.00 53.44 49.90 1i71 n ALA 55 Cb 0.00 -0.60 0.19 0.00 0.00 0.00 0.00 19.45 19.04 1i71 n ALA 55 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1i71 s GLU 56 N -3.60 0.16 0.44 0.00 0.41 -1.26 -4.98 118.70 109.87 1i71 s GLU 56 Ca 0.39 -0.13 0.23 0.00 -0.41 0.00 0.00 54.97 55.06 1i71 s GLU 56 Cb 0.37 -1.76 0.40 0.00 -1.78 0.00 0.00 34.13 31.35 1i71 s GLU 56 CO -0.01 -2.78 1.63 -0.84 -0.49 0.00 0.00 175.26 172.77 1i71 h ILE 57 N -1.91 0.03 -2.37 -1.63 3.07 -1.98 -3.46 117.51 109.26 1i71 h ILE 57 Ca -0.46 -1.01 0.17 0.00 1.55 0.00 0.00 64.86 65.11 1i71 h ILE 57 Cb 1.28 1.98 -0.07 0.00 -0.27 0.00 0.00 36.82 39.74 1i71 h ILE 57 CO 0.43 0.02 0.50 0.00 -1.05 0.00 0.00 178.15 178.05 1i71 s ARG 58 N -3.23 1.23 0.48 0.16 1.70 -1.13 -4.32 118.95 113.84 1i71 s ARG 58 Ca 0.07 -0.71 -0.24 0.00 -0.47 0.00 0.00 55.73 54.38 1i71 s ARG 58 Cb 0.05 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.76 1i71 s ARG 58 CO 0.66 -0.57 1.32 -2.30 -1.08 0.00 0.00 175.30 173.33 1i71 n PRO 59 N -0.51 1.86 -3.55 3.89 -0.02 -1.26 -4.74 135.00 130.67 1i71 n PRO 59 Ca -0.06 0.67 -0.12 0.00 -2.02 0.00 0.00 63.50 61.97 1i71 n PRO 59 Cb 0.60 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1i71 n PRO 59 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1i71 n TRP 60 N -0.59 -1.13 -3.54 6.00 4.27 0.31 -1.24 117.44 121.52 1i71 n TRP 60 Ca 0.08 -1.95 -0.08 0.00 -3.89 0.00 0.00 57.50 51.66 1i71 n TRP 60 Cb 0.42 0.40 -0.03 0.00 -1.36 0.00 0.00 31.31 30.75 1i71 n TRP 60 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1i71 s TYR 62 N -2.54 3.11 0.27 0.00 1.51 -1.26 -1.23 117.35 117.21 1i71 s TYR 62 Ca 0.05 1.56 0.08 0.00 -1.01 0.00 0.00 57.07 57.74 1i71 s TYR 62 Cb -0.01 -2.98 -0.04 0.00 -0.11 0.00 0.00 41.96 38.82 1i71 s TYR 62 CO -0.06 -0.68 0.13 0.95 -1.11 0.00 0.00 175.55 174.79 1i71 s THR 63 N -2.18 3.91 -1.95 -0.71 -4.23 -0.35 0.27 115.64 110.40 1i71 s THR 63 Ca 0.65 -1.60 0.29 0.00 -1.18 0.00 0.00 61.69 59.85 1i71 s THR 63 Cb -0.14 -3.16 0.79 0.00 1.34 0.00 0.00 72.50 71.33 1i71 s THR 63 CO 0.23 -0.33 2.06 0.23 -0.54 0.00 0.00 174.62 176.26 1i71 n MET 64 N -1.10 0.86 -3.17 3.99 2.81 0.10 -4.56 117.12 116.06 1i71 n MET 64 Ca -0.06 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.42 1i71 n MET 64 Cb 0.59 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.53 1i71 n MET 64 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1i71 s ASP 65 N -2.05 6.43 0.59 7.83 3.68 -1.26 -4.82 116.67 127.06 1i71 s ASP 65 Ca 0.42 0.30 0.28 0.00 2.13 0.00 0.00 52.55 55.68 1i71 s ASP 65 Cb 0.20 -2.31 1.62 0.00 -1.45 0.00 0.00 42.92 40.98 1i71 s ASP 65 CO 0.34 -0.46 2.07 -0.65 0.13 0.00 0.00 175.17 176.60 1i71 h PRO 66 N 8.26 0.00 0.00 4.34 0.11 -1.93 -1.63 132.00 141.16 1i71 h PRO 66 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1i71 h PRO 66 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1i71 h PRO 66 CO 0.78 0.00 -0.18 0.43 -0.21 0.00 0.00 178.00 178.82 1i71 n SER 67 N -3.81 0.28 -3.82 -2.05 7.64 -1.26 -4.60 113.62 105.99 1i71 n SER 67 Ca 0.03 0.28 -0.30 0.00 1.01 0.00 0.00 58.87 59.88 1i71 n SER 67 Cb 0.38 -0.28 -0.15 0.00 -1.01 0.00 0.00 64.21 63.14 1i71 n SER 67 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1i71 s VAL 68 N -3.02 1.27 0.07 0.44 1.01 -0.61 -5.04 120.40 114.51 1i71 s VAL 68 Ca 0.12 -1.58 -0.33 0.00 0.00 0.00 0.00 61.98 60.20 1i71 s VAL 68 Cb 0.17 -1.90 -0.16 0.00 0.00 0.00 0.00 36.38 34.49 1i71 s VAL 68 CO 0.60 -0.58 1.50 -0.09 0.00 0.00 0.00 175.10 176.53 1i71 h ARG 69 N 7.97 -0.96 -4.05 2.72 2.43 -1.81 -3.34 114.38 117.33 1i71 h ARG 69 Ca -0.12 0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 1i71 h ARG 69 Cb 1.03 0.22 -0.16 0.00 -0.42 0.00 0.00 29.97 30.64 1i71 h ARG 69 CO 0.47 -0.64 -0.58 1.67 -1.51 0.00 0.00 179.97 179.38 1i71 s TRP 70 N -5.57 0.37 0.10 2.20 1.48 -1.26 -1.21 118.94 115.05 1i71 s TRP 70 Ca -0.16 -0.83 -0.11 0.00 -1.06 0.00 0.00 56.10 53.93 1i71 s TRP 70 Cb 0.03 -0.26 0.01 0.00 -1.16 0.00 0.00 33.47 32.09 1i71 s TRP 70 CO 0.53 -0.41 0.26 -1.21 -4.06 0.00 0.00 176.95 172.07 1i71 s GLU 71 N -3.56 0.93 0.47 3.25 2.02 -0.37 -4.91 118.70 116.53 1i71 s GLU 71 Ca 0.03 -0.90 -0.20 0.00 0.02 0.00 0.00 54.97 53.93 1i71 s GLU 71 Cb 0.05 0.38 -0.09 0.00 0.10 0.00 0.00 34.13 34.57 1i71 s GLU 71 CO -0.09 -0.32 1.00 0.71 0.02 0.00 0.00 175.26 176.58 1i71 s TYR 72 N -3.85 3.18 0.50 1.61 2.02 -1.26 -1.50 117.35 118.04 1i71 s TYR 72 Ca 0.05 1.58 -0.10 0.00 -0.37 0.00 0.00 57.07 58.23 1i71 s TYR 72 Cb 0.04 -2.94 -0.05 0.00 -0.40 0.00 0.00 41.96 38.61 1i71 s TYR 72 CO -0.11 -0.49 0.87 0.00 -1.57 0.00 0.00 175.55 174.25 1i71 n ASN 74 N -1.99 7.10 -4.42 0.00 4.05 -0.28 -4.43 115.26 115.27 1i71 n ASN 74 Ca 0.03 -2.50 -0.27 0.00 0.45 0.00 0.00 54.58 52.29 1i71 n ASN 74 Cb 0.54 -1.45 -0.12 0.00 1.23 0.00 0.00 39.78 39.99 1i71 n ASN 74 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1i71 s LEU 75 N 0.10 2.43 0.34 1.20 1.43 -1.26 -4.98 118.68 117.94 1i71 s LEU 75 Ca 0.65 -0.82 0.10 0.00 -1.03 0.00 0.00 54.13 53.03 1i71 s LEU 75 Cb 0.22 -1.21 -0.06 0.00 0.03 0.00 0.00 46.19 45.16 1i71 s LEU 75 CO -0.04 0.14 -0.10 0.42 0.23 0.00 0.00 176.35 177.00 1i71 s THR 76 N -1.50 2.30 0.35 5.49 -4.23 -1.26 -4.99 115.64 111.79 1i71 s THR 76 Ca 0.19 -2.21 -0.27 0.00 -1.18 0.00 0.00 61.69 58.22 1i71 s THR 76 Cb -0.09 -2.62 -0.09 0.00 1.34 0.00 0.00 72.50 71.05 1i71 s THR 76 CO 0.09 -0.22 1.13 -1.10 -0.54 0.00 0.00 174.62 173.98 1i71 s GLN 77 N -3.60 4.29 0.54 3.99 -0.21 -1.26 -2.39 119.66 121.02 1i71 s GLN 77 Ca 0.32 1.79 -0.21 0.00 0.02 0.00 0.00 55.36 57.28 1i71 s GLN 77 Cb 0.01 -2.85 -0.05 0.00 1.00 0.00 0.00 33.01 31.13 1i71 s GLN 77 CO 0.16 -0.10 1.28 0.00 -2.12 0.00 0.00 175.29 174.51 1i71 s PRO 79 N -2.98 2.70 0.31 0.00 0.04 -1.26 -4.96 135.00 128.84 1i71 s PRO 79 Ca 0.72 0.93 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 1i71 s PRO 79 Cb -0.35 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.12 1i71 s PRO 79 CO 0.41 -1.26 1.45 0.08 0.04 0.00 0.00 177.00 177.72 1i71 s VAL 80 N -3.04 2.42 -0.11 -0.36 1.01 -1.26 -4.92 120.40 114.14 1i71 s VAL 80 Ca 0.59 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 1i71 s VAL 80 Cb -0.15 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1i71 s VAL 80 CO 0.55 0.07 1.60 -0.32 0.00 0.00 0.00 175.10 177.00 1i71 s MET 81 N -1.13 4.09 0.00 2.72 1.75 -1.26 -5.33 119.30 120.14 1i71 s MET 81 Ca 0.56 2.00 0.25 0.00 -1.25 0.00 0.00 55.69 57.24 1i71 s MET 81 Cb -0.44 -3.97 0.36 0.00 2.84 0.00 0.00 34.83 33.63 1i71 s MET 81 CO 0.51 -0.94 1.36 0.39 -0.65 0.00 0.00 175.02 175.68