#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0t n HIS 2 N 0.00 1.02 -1.33 1.43 8.25 -1.26 -4.54 115.22 118.79 1k0t n HIS 2 Ca 0.00 0.74 0.15 0.00 -0.26 0.00 0.00 57.72 58.36 1k0t n HIS 2 Cb 0.00 -2.22 -0.08 0.00 1.12 0.00 0.00 29.99 28.81 1k0t n HIS 2 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1k0t n SER 3 N 1.78 -6.91 -1.40 0.41 3.41 -1.26 -4.32 113.62 105.34 1k0t n SER 3 Ca 0.14 1.23 -0.01 0.00 -0.26 0.00 0.00 58.87 59.97 1k0t n SER 3 Cb 0.26 -4.53 0.01 0.00 -0.26 0.00 0.00 64.21 59.69 1k0t n SER 3 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1k0t n VAL 4 N -4.17 0.00 -0.49 -3.33 3.14 -1.26 -4.60 118.33 107.61 1k0t n VAL 4 Ca -0.08 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 1k0t n VAL 4 Cb 0.61 0.45 0.00 0.00 -1.06 0.00 0.00 33.84 33.84 1k0t n VAL 4 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1k0t n LYS 5 N -0.20 -0.06 -2.83 1.45 4.76 -1.26 -4.87 118.16 115.15 1k0t n LYS 5 Ca -0.04 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.97 1k0t n LYS 5 Cb 0.50 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.67 1k0t n LYS 5 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1k0t s ILE 6 N -0.68 4.53 0.16 -0.18 1.09 -1.26 -4.64 121.20 120.22 1k0t s ILE 6 Ca 0.00 -1.43 0.11 0.00 -1.10 0.00 0.00 60.65 58.23 1k0t s ILE 6 Cb 0.00 -4.86 -0.04 0.00 -1.06 0.00 0.00 42.46 36.50 1k0t s ILE 6 CO 0.00 -1.63 -0.25 -0.31 -0.10 0.00 0.00 174.94 172.65 1k0t s TYR 7 N 3.23 2.23 -0.23 3.97 2.02 -1.26 -5.01 117.35 122.30 1k0t s TYR 7 Ca 0.37 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.66 1k0t s TYR 7 Cb -0.03 -1.16 0.03 0.00 -0.40 0.00 0.00 41.96 40.40 1k0t s TYR 7 CO -0.09 0.40 2.55 -0.40 -1.57 0.00 0.00 175.55 176.44 1k0t n ASP 8 N 0.61 6.02 -4.36 2.29 5.75 -1.26 -4.74 116.55 120.87 1k0t n ASP 8 Ca -0.16 -2.87 -0.46 0.00 -0.01 0.00 0.00 54.79 51.29 1k0t n ASP 8 Cb 0.55 -1.19 -0.02 0.00 -1.03 0.00 0.00 41.12 39.42 1k0t n ASP 8 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1k0t s THR 9 N -1.20 5.40 -0.27 2.12 -1.32 -1.26 -4.95 115.64 114.14 1k0t s THR 9 Ca 0.40 -2.21 -0.13 0.00 -1.21 0.00 0.00 61.69 58.55 1k0t s THR 9 Cb 0.25 -4.53 0.10 0.00 -1.51 0.00 0.00 72.50 66.81 1k0t s THR 9 CO -0.06 -1.12 0.64 0.00 -2.21 0.00 0.00 174.62 171.86 1k0t n ILE 11 N 4.78 0.21 0.00 0.00 -0.00 -1.26 -4.85 119.36 118.23 1k0t n ILE 11 Ca -0.17 -0.57 0.00 0.00 -0.00 0.00 0.00 62.75 62.02 1k0t n ILE 11 Cb 0.55 1.16 0.00 0.00 -0.00 0.00 0.00 39.64 41.34 1k0t n ILE 11 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1k0t n GLY 12 N 1.39 0.88 3.87 3.28 0.00 -1.26 -5.05 105.19 108.30 1k0t n GLY 12 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1k0t n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k0t n THR 14 N -1.46 1.35 -0.11 0.00 -2.24 -1.26 -4.84 114.28 105.72 1k0t n THR 14 Ca 0.03 -4.93 -0.23 0.00 -2.27 0.00 0.00 64.05 56.65 1k0t n THR 14 Cb 0.54 -1.44 -0.12 0.00 -2.10 0.00 0.00 70.33 67.22 1k0t n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k0t n GLN 15 N 0.51 0.64 -0.47 -0.78 10.64 -1.26 -4.19 117.38 122.47 1k0t n GLN 15 Ca 0.27 0.26 -0.02 0.00 -1.83 0.00 0.00 57.00 55.68 1k0t n GLN 15 Cb 0.49 -1.58 0.15 0.00 -0.86 0.00 0.00 30.24 28.44 1k0t n GLN 15 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1k0t n VAL 17 N 0.09 1.55 0.00 0.00 0.31 -1.26 -4.70 118.33 114.32 1k0t n VAL 17 Ca 0.18 -1.84 0.00 0.00 -0.01 0.00 0.00 64.34 62.67 1k0t n VAL 17 Cb 0.82 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.68 1k0t n VAL 17 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1k0t n ARG 18 N -1.16 0.00 -2.35 5.55 3.00 -1.21 -4.90 116.66 115.59 1k0t n ARG 18 Ca 0.12 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.61 1k0t n ARG 18 Cb 0.61 -0.69 -0.03 0.00 0.00 0.00 0.00 32.46 32.35 1k0t n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k0t s ALA 19 N -1.95 2.48 -0.30 7.54 0.00 -1.26 -4.68 121.76 123.60 1k0t s ALA 19 Ca 0.00 -2.30 -0.15 0.00 0.00 0.00 0.00 51.96 49.51 1k0t s ALA 19 Cb 0.00 -4.61 0.18 0.00 0.00 0.00 0.00 23.12 18.69 1k0t s ALA 19 CO 0.00 -4.14 1.15 0.00 0.00 0.00 0.00 175.76 172.77 1k0t h PRO 21 N 7.09 0.38 0.00 0.00 0.13 -2.00 -3.42 132.00 134.18 1k0t h PRO 21 Ca -0.11 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1k0t h PRO 21 Cb 1.17 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1k0t h PRO 21 CO -0.16 1.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.93 1k0t n LEU 22 N -4.30 0.00 0.00 1.56 4.32 -1.26 -5.00 117.00 112.32 1k0t n LEU 22 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 1k0t n LEU 22 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1k0t n LEU 22 CO 0.44 0.00 0.00 -0.67 -1.22 0.00 0.00 177.39 175.94 1k0t n ASP 23 N 0.00 0.00 0.00 -1.43 2.03 -1.26 -5.10 116.55 110.78 1k0t n ASP 23 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1k0t n ASP 23 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1k0t n ASP 23 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1k0t n VAL 24 N 0.00 0.00 -1.54 5.18 0.31 -1.26 -4.86 118.33 116.16 1k0t n VAL 24 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 1k0t n VAL 24 Cb 0.00 -0.58 -0.10 0.00 -0.91 0.00 0.00 33.84 32.25 1k0t n VAL 24 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1k0t n LEU 25 N -0.93 1.08 0.00 7.52 4.77 -1.26 -4.36 117.00 123.82 1k0t n LEU 25 Ca 0.00 -1.04 -0.05 0.00 -0.03 0.00 0.00 56.01 54.89 1k0t n LEU 25 Cb 0.00 -1.36 -0.01 0.00 -2.33 0.00 0.00 43.42 39.72 1k0t n LEU 25 CO 0.00 -2.10 -0.04 -0.62 -1.33 0.00 0.00 177.39 173.30 1k0t n GLU 26 N 8.10 1.78 -3.24 3.23 -0.58 0.19 -4.84 120.64 125.29 1k0t n GLU 26 Ca 0.51 -0.60 -0.38 0.00 -0.42 0.00 0.00 57.16 56.27 1k0t n GLU 26 Cb 0.36 0.16 -0.06 0.00 -0.57 0.00 0.00 31.44 31.33 1k0t n GLU 26 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k0t s MET 27 N -2.30 4.34 0.37 3.49 0.23 -1.26 -0.46 119.30 123.71 1k0t s MET 27 Ca 0.00 0.61 0.05 0.00 -1.03 0.00 0.00 55.69 55.32 1k0t s MET 27 Cb -0.00 -3.41 -0.06 0.00 -1.53 0.00 0.00 34.83 29.83 1k0t s MET 27 CO 0.00 0.21 0.04 0.14 -2.03 0.00 0.00 175.02 173.38 1k0t s VAL 28 N 0.41 1.43 -0.29 5.16 -7.23 0.38 -4.89 120.40 115.36 1k0t s VAL 28 Ca 0.30 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.18 1k0t s VAL 28 Cb -0.16 -2.81 -0.00 0.00 0.56 0.00 0.00 36.38 33.96 1k0t s VAL 28 CO 0.14 0.00 1.34 -2.16 -0.31 0.00 0.00 175.10 174.11 1k0t s PRO 29 N -3.82 3.90 0.30 4.82 0.04 -1.26 -1.86 135.00 137.12 1k0t s PRO 29 Ca 0.34 1.31 0.03 0.00 0.04 0.00 0.00 61.00 62.72 1k0t s PRO 29 Cb 0.09 -3.90 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 1k0t s PRO 29 CO 0.16 -1.14 0.15 -0.46 0.04 0.00 0.00 177.00 175.74 1k0t s TRP 30 N 4.48 1.60 -0.38 0.56 -0.11 -0.08 -4.69 118.94 120.33 1k0t s TRP 30 Ca 0.58 -1.33 0.11 0.00 1.22 0.00 0.00 56.10 56.69 1k0t s TRP 30 Cb -0.18 -0.89 0.33 0.00 -1.50 0.00 0.00 33.47 31.24 1k0t s TRP 30 CO 0.24 -0.47 0.70 -3.47 -4.62 0.00 0.00 176.95 169.32 1k0t n ASP 31 N -0.87 0.63 0.00 5.86 2.03 -1.26 -3.66 116.55 119.28 1k0t n ASP 31 Ca 0.00 -2.96 0.00 0.00 0.52 0.00 0.00 54.79 52.35 1k0t n ASP 31 Cb 0.65 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1k0t n ASP 31 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k0t n GLY 32 N 0.50 0.07 3.82 0.27 0.00 -1.26 -5.03 105.19 103.56 1k0t n GLY 32 Ca 0.24 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1k0t n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k0t h LYS 34 N -1.38 0.00 -0.23 0.00 3.11 -1.97 -1.35 116.57 114.75 1k0t h LYS 34 Ca -0.49 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.29 1k0t h LYS 34 Cb 1.33 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.53 1k0t h LYS 34 CO 0.63 0.14 -0.05 0.00 -2.81 0.00 0.00 179.45 177.36 1k0t n ALA 35 N -2.28 3.31 -4.29 5.00 0.00 -1.26 -4.97 120.51 116.02 1k0t n ALA 35 Ca -0.02 -2.68 -0.32 0.00 0.00 0.00 0.00 53.44 50.43 1k0t n ALA 35 Cb 0.27 -0.65 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 1k0t n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k0t n GLY 36 N -0.90 -0.18 3.16 0.00 0.00 -0.51 -4.87 105.19 101.88 1k0t n GLY 36 Ca 0.24 0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.35 1k0t n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1k0t s GLN 37 N -7.38 0.25 0.07 1.61 1.03 -1.24 -0.90 119.66 113.09 1k0t s GLN 37 Ca 0.04 0.91 -0.08 0.00 0.04 0.00 0.00 55.36 56.27 1k0t s GLN 37 Cb -0.02 0.17 -0.05 0.00 0.03 0.00 0.00 33.01 33.14 1k0t s GLN 37 CO 0.99 -0.26 0.35 -1.50 -2.54 0.00 0.00 175.29 172.33 1k0t s ILE 38 N 2.50 5.18 -0.70 3.63 1.10 -0.77 -4.70 121.20 127.44 1k0t s ILE 38 Ca -0.01 0.28 -0.26 0.00 -0.51 0.00 0.00 60.65 60.15 1k0t s ILE 38 Cb -0.12 -3.62 0.04 0.00 0.15 0.00 0.00 42.46 38.92 1k0t s ILE 38 CO -0.11 0.27 1.17 0.00 -2.11 0.00 0.00 174.94 174.16 1k0t s ALA 39 N -1.41 2.89 0.11 1.50 0.00 -1.26 -0.47 121.76 123.12 1k0t s ALA 39 Ca 0.33 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1k0t s ALA 39 Cb -0.13 -4.10 -0.01 0.00 0.00 0.00 0.00 23.12 18.88 1k0t s ALA 39 CO 0.19 -3.05 0.06 0.43 0.00 0.00 0.00 175.76 173.39 1k0t n SER 40 N 8.74 0.38 -4.03 0.00 7.64 0.40 -4.83 113.62 121.91 1k0t n SER 40 Ca 0.01 -1.64 -0.34 0.00 1.01 0.00 0.00 58.87 57.92 1k0t n SER 40 Cb 0.48 0.40 -0.11 0.00 -1.01 0.00 0.00 64.21 63.97 1k0t n SER 40 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1k0t s SER 41 N -1.71 5.03 -0.07 6.43 0.01 -1.26 0.54 113.70 122.68 1k0t s SER 41 Ca 0.09 -3.15 -0.16 0.00 1.31 0.00 0.00 55.95 54.04 1k0t s SER 41 Cb 0.00 -1.78 -0.12 0.00 0.21 0.00 0.00 66.02 64.34 1k0t s SER 41 CO 0.06 -0.27 0.61 1.55 0.41 0.00 0.00 173.24 175.61 1k0t h PRO 42 N 6.54 -0.21 -4.43 12.44 0.13 -1.90 -3.39 132.00 141.18 1k0t h PRO 42 Ca 0.01 0.01 -0.75 0.00 -0.87 0.00 0.00 66.00 64.40 1k0t h PRO 42 Cb 0.89 0.05 -0.21 0.00 0.13 0.00 0.00 31.00 31.86 1k0t h PRO 42 CO 0.73 0.13 1.07 1.03 -0.23 0.00 0.00 178.00 180.73 1k0t s ARG 43 N -2.85 4.10 0.00 0.86 1.81 -1.26 -4.77 118.95 116.83 1k0t s ARG 43 Ca -0.09 -2.73 0.14 0.00 -1.72 0.00 0.00 55.73 51.32 1k0t s ARG 43 Cb 0.00 -4.91 0.81 0.00 -0.45 0.00 0.00 34.95 30.40 1k0t s ARG 43 CO 0.34 -1.62 1.48 2.41 -0.68 0.00 0.00 175.30 177.23 1k0t n THR 44 N 4.11 0.00 -0.44 0.02 -1.04 -1.26 -3.93 114.28 111.74 1k0t n THR 44 Ca 0.32 0.00 0.38 0.00 -2.04 0.00 0.00 64.05 62.71 1k0t n THR 44 Cb 0.42 -0.25 0.70 0.00 -1.82 0.00 0.00 70.33 69.38 1k0t n THR 44 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1k0t h GLU 45 N 0.00 0.09 0.00 -2.82 4.11 -1.95 -3.39 114.58 110.62 1k0t h GLU 45 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1k0t h GLU 45 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1k0t h GLU 45 CO 0.00 0.06 0.00 -0.25 0.07 0.00 0.00 179.01 178.89 1k0t n ASP 46 N -4.35 0.00 -0.93 3.06 8.00 -1.25 -5.01 116.55 116.07 1k0t n ASP 46 Ca 0.33 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1k0t n ASP 46 Cb 1.41 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.51 1k0t n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k0t n VAL 48 N 0.14 2.65 -1.99 0.00 3.14 -1.26 -4.96 118.33 116.05 1k0t n VAL 48 Ca 0.00 -4.20 -0.02 0.00 -2.96 0.00 0.00 64.34 57.16 1k0t n VAL 48 Cb 0.00 -1.17 0.00 0.00 -1.06 0.00 0.00 33.84 31.62 1k0t n VAL 48 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1k0t n GLY 49 N -0.69 -2.02 2.69 7.55 0.00 -1.26 -5.07 105.19 106.39 1k0t n GLY 49 Ca 0.45 0.25 -0.24 0.00 0.00 0.00 0.00 46.02 46.48 1k0t n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k0t n LYS 51 N 5.21 0.00 0.00 0.00 5.02 -1.26 -4.37 118.16 122.76 1k0t n LYS 51 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1k0t n LYS 51 Cb 0.49 -0.28 0.00 0.00 -0.02 0.00 0.00 35.03 35.23 1k0t n LYS 51 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1k0t n ARG 52 N 0.00 0.00 -1.51 1.97 3.00 -1.26 -4.54 116.66 114.31 1k0t n ARG 52 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.85 57.52 1k0t n ARG 52 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.31 1k0t n ARG 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k0t n GLU 54 N 7.71 1.00 -1.89 0.00 1.02 -1.26 -4.84 120.64 122.37 1k0t n GLU 54 Ca 0.61 -3.38 -0.03 0.00 -0.02 0.00 0.00 57.16 54.34 1k0t n GLU 54 Cb 0.17 -1.68 0.05 0.00 -0.02 0.00 0.00 31.44 29.95 1k0t n GLU 54 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1k0t n THR 55 N 0.26 0.00 -0.28 2.62 5.66 -1.26 -4.90 114.28 116.37 1k0t n THR 55 Ca 0.24 -0.50 -0.23 0.00 -3.05 0.00 0.00 64.05 60.51 1k0t n THR 55 Cb 0.67 0.71 0.22 0.00 -1.55 0.00 0.00 70.33 70.38 1k0t n THR 55 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1k0t n ALA 56 N -0.78 -3.96 -1.63 1.79 0.00 -1.26 -3.71 120.51 110.95 1k0t n ALA 56 Ca -0.15 -1.15 -0.29 0.00 0.00 0.00 0.00 53.44 51.84 1k0t n ALA 56 Cb 0.71 -0.10 0.17 0.00 0.00 0.00 0.00 19.45 20.23 1k0t n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k0t n PRO 58 N -3.90 -1.43 0.00 0.00 -0.04 -1.26 -4.77 135.00 123.60 1k0t n PRO 58 Ca 0.11 -1.03 0.11 0.00 -0.04 0.00 0.00 63.50 62.66 1k0t n PRO 58 Cb 0.60 -0.81 0.52 0.00 -0.04 0.00 0.00 33.50 33.77 1k0t n PRO 58 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1k0t n THR 59 N -3.38 0.37 0.18 0.52 -1.04 -1.26 -2.22 114.28 107.45 1k0t n THR 59 Ca 0.09 0.09 0.18 0.00 -2.04 0.00 0.00 64.05 62.36 1k0t n THR 59 Cb 0.31 -0.70 0.71 0.00 -1.82 0.00 0.00 70.33 68.84 1k0t n THR 59 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1k0t h ASP 60 N 0.00 0.00 0.00 8.00 3.32 -2.00 -3.34 116.42 122.41 1k0t h ASP 60 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1k0t h ASP 60 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1k0t h ASP 60 CO 0.00 0.00 -0.02 0.49 -1.72 0.00 0.00 179.24 177.99 1k0t n PHE 61 N -3.28 -1.24 0.00 4.55 3.72 -1.20 -5.11 117.46 114.91 1k0t n PHE 61 Ca 0.04 0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1k0t n PHE 61 Cb 0.61 0.53 0.00 0.00 -0.94 0.00 0.00 39.48 39.69 1k0t n PHE 61 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1k0t n LEU 62 N -2.99 0.00 -2.41 4.37 4.77 -0.94 -4.69 117.00 115.12 1k0t n LEU 62 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1k0t n LEU 62 Cb 0.01 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1k0t n LEU 62 CO 0.00 -1.22 0.17 -0.24 -1.33 0.00 0.00 177.39 174.77 1k0t n SER 63 N -1.96 -5.20 0.00 -1.43 2.88 -1.26 -4.69 113.62 101.95 1k0t n SER 63 Ca 0.00 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1k0t n SER 63 Cb 0.00 -3.42 0.00 0.00 -0.75 0.00 0.00 64.21 60.04 1k0t n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k0t n ILE 64 N -1.62 0.00 -3.55 2.46 3.06 -1.26 -5.01 119.36 113.44 1k0t n ILE 64 Ca -0.01 0.00 -0.29 0.00 -2.50 0.00 0.00 62.75 59.96 1k0t n ILE 64 Cb 0.51 -0.61 -0.12 0.00 0.54 0.00 0.00 39.64 39.97 1k0t n ILE 64 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 1k0t s ARG 65 N -2.00 0.97 0.16 9.51 1.81 -1.26 -5.11 118.95 123.03 1k0t s ARG 65 Ca 0.00 -1.84 -0.31 0.00 -1.72 0.00 0.00 55.73 51.86 1k0t s ARG 65 Cb 0.00 -1.77 -0.17 0.00 -0.45 0.00 0.00 34.95 32.56 1k0t s ARG 65 CO 0.00 -1.24 0.73 0.28 -0.68 0.00 0.00 175.30 174.39 1k0t n VAL 66 N 3.48 1.44 0.00 3.52 0.31 -1.26 -4.41 118.33 121.41 1k0t n VAL 66 Ca 0.16 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1k0t n VAL 66 Cb 0.39 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 1k0t n VAL 66 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k0t n TYR 67 N 0.48 -0.45 0.29 3.52 4.19 -1.26 -4.77 117.16 119.16 1k0t n TYR 67 Ca 0.18 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.26 1k0t n TYR 67 Cb 0.21 0.47 -0.06 0.00 0.49 0.00 0.00 39.34 40.45 1k0t n TYR 67 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1k0t h LEU 68 N 0.00 -0.66 -5.07 2.98 3.38 -1.81 -3.29 115.31 110.84 1k0t h LEU 68 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 1k0t h LEU 68 Cb 0.00 0.17 0.03 0.00 0.09 0.00 0.00 40.66 40.95 1k0t h LEU 68 CO 0.00 -0.26 3.70 0.61 0.09 0.00 0.00 178.44 182.58 1k0t n GLY 69 N -0.27 4.11 0.42 0.83 0.00 -1.26 -3.75 105.19 105.27 1k0t n GLY 69 Ca -0.10 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1k0t n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k0t n ALA 70 N 3.71 2.36 -1.85 4.61 0.00 -1.24 -4.99 120.51 123.11 1k0t n ALA 70 Ca 0.74 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.76 1k0t n ALA 70 Cb 0.22 0.42 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 1k0t n ALA 70 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1k0t s GLU 71 N -1.90 4.16 -0.31 0.00 1.03 -1.25 -4.43 118.70 116.00 1k0t s GLU 71 Ca 0.00 2.39 0.03 0.00 0.03 0.00 0.00 54.97 57.42 1k0t s GLU 71 Cb 0.00 -4.07 0.24 0.00 -0.80 0.00 0.00 34.13 29.50 1k0t s GLU 71 CO 0.00 -0.90 1.31 -2.37 -1.33 0.00 0.00 175.26 171.97 1k0t n THR 72 N 5.52 0.00 0.00 1.83 5.66 -1.26 -4.81 114.28 121.22 1k0t n THR 72 Ca 0.18 -0.60 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 1k0t n THR 72 Cb 0.42 0.89 0.00 0.00 -1.55 0.00 0.00 70.33 70.09 1k0t n THR 72 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1k0t n THR 73 N 0.18 0.00 0.12 1.09 5.66 -1.26 -4.74 114.28 115.32 1k0t n THR 73 Ca -0.14 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.63 1k0t n THR 73 Cb 0.72 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.35 1k0t n THR 73 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 1k0t h ARG 74 N 0.60 0.46 0.00 1.09 -0.00 -1.92 -3.40 114.38 111.20 1k0t h ARG 74 Ca 0.00 -0.79 -0.08 0.00 -0.50 0.00 0.00 59.98 58.62 1k0t h ARG 74 Cb 0.00 0.29 -0.14 0.00 0.00 0.00 0.00 29.97 30.12 1k0t h ARG 74 CO 0.00 1.37 -0.56 0.45 0.00 0.00 0.00 179.97 181.23 1k0t n SER 75 N -3.65 0.18 -0.23 7.04 2.88 -1.26 -4.83 113.62 113.76 1k0t n SER 75 Ca -0.19 -1.84 -0.08 0.00 -1.33 0.00 0.00 58.87 55.43 1k0t n SER 75 Cb 1.09 -0.13 0.03 0.00 -0.75 0.00 0.00 64.21 64.45 1k0t n SER 75 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1k0t h MET 76 N 0.32 1.04 0.00 -1.46 -1.53 -1.86 -3.43 114.93 108.01 1k0t h MET 76 Ca -0.15 -0.27 0.00 0.00 -3.44 0.00 0.00 59.70 55.84 1k0t h MET 76 Cb 1.50 -0.13 0.00 0.00 -0.55 0.00 0.00 31.60 32.42 1k0t h MET 76 CO -0.01 0.96 0.00 0.41 0.14 0.00 0.00 176.91 178.41 1k0t n GLY 77 N -0.59 0.00 0.14 1.39 0.00 -1.26 -4.96 105.19 99.90 1k0t n GLY 77 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1k0t n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k0t n LEU 78 N 0.00 2.72 0.03 0.99 -0.00 -1.26 -4.92 117.00 114.56 1k0t n LEU 78 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 1k0t n LEU 78 Cb 0.00 -1.03 0.00 0.00 -0.00 0.00 0.00 43.42 42.39 1k0t n LEU 78 CO 0.00 0.88 0.00 0.00 -0.00 0.00 0.00 177.39 178.27 1k0t n ALA 79 N -3.08 1.24 0.90 1.96 0.00 -1.26 -5.18 120.51 115.09 1k0t n ALA 79 Ca -0.37 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.15 1k0t n ALA 79 Cb 1.03 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.91 1k0t n ALA 79 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16