#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0t s HIS 2 N 0.00 0.52 0.51 1.43 0.00 -1.23 -4.29 115.29 112.23 1k0t s HIS 2 Ca 0.00 -0.85 0.00 0.00 -3.00 0.00 0.00 55.06 51.21 1k0t s HIS 2 Cb 0.00 -0.02 0.00 0.00 -4.00 0.00 0.00 32.58 28.56 1k0t s HIS 2 CO 0.00 -0.85 0.00 0.45 -1.00 0.00 0.00 174.74 173.34 1k0t n SER 3 N -0.32 -7.00 -2.68 7.38 2.88 -1.26 -4.85 113.62 107.78 1k0t n SER 3 Ca -0.02 1.16 -0.08 0.00 -1.33 0.00 0.00 58.87 58.60 1k0t n SER 3 Cb 0.63 -4.47 0.06 0.00 -0.75 0.00 0.00 64.21 59.68 1k0t n SER 3 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1k0t n VAL 4 N -4.13 0.71 -2.41 2.46 0.24 -1.26 -4.56 118.33 109.38 1k0t n VAL 4 Ca -0.07 -2.57 -0.37 0.00 -2.04 0.00 0.00 64.34 59.29 1k0t n VAL 4 Cb 0.62 0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 33.76 1k0t n VAL 4 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1k0t s LYS 5 N -2.17 3.96 -0.04 7.34 2.47 -1.26 -4.74 119.74 125.29 1k0t s LYS 5 Ca 0.25 1.63 -0.33 0.00 -1.56 0.00 0.00 55.97 55.96 1k0t s LYS 5 Cb 0.44 -2.46 -0.11 0.00 -1.46 0.00 0.00 37.83 34.24 1k0t s LYS 5 CO -0.00 -0.35 1.91 -0.89 0.16 0.00 0.00 175.35 176.18 1k0t n ILE 6 N -0.31 0.63 -3.67 5.43 -0.00 -1.26 -4.86 119.36 115.33 1k0t n ILE 6 Ca 0.06 -0.11 -0.06 0.00 -0.00 0.00 0.00 62.75 62.64 1k0t n ILE 6 Cb 0.49 -2.02 -0.02 0.00 -0.00 0.00 0.00 39.64 38.10 1k0t n ILE 6 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 1k0t s TYR 7 N 4.15 -0.24 -0.28 1.39 2.02 -1.26 -5.02 117.35 118.10 1k0t s TYR 7 Ca 0.91 -0.03 -0.02 0.00 -0.37 0.00 0.00 57.07 57.56 1k0t s TYR 7 Cb -0.61 0.61 0.10 0.00 -0.40 0.00 0.00 41.96 41.66 1k0t s TYR 7 CO 0.48 -0.82 2.39 -0.40 -1.57 0.00 0.00 175.55 175.64 1k0t n ASP 8 N -0.40 6.21 -4.48 2.29 5.75 -1.26 -4.70 116.55 119.97 1k0t n ASP 8 Ca -0.08 -2.97 -0.43 0.00 -0.01 0.00 0.00 54.79 51.31 1k0t n ASP 8 Cb 0.61 -1.15 -0.03 0.00 -1.03 0.00 0.00 41.12 39.52 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 -1.67 4.47 -0.29 2.12 -1.32 -1.26 -4.91 115.64 112.79 1k0t s THR 9 Ca 0.39 -1.20 -0.13 0.00 -1.21 0.00 0.00 61.69 59.54 1k0t s THR 9 Cb 0.26 -4.83 0.11 0.00 -1.51 0.00 0.00 72.50 66.52 1k0t s THR 9 CO -0.06 -1.61 0.68 0.00 -2.21 0.00 0.00 174.62 171.42 1k0t n ILE 11 N 4.89 0.04 0.00 0.00 -0.00 -1.26 -5.00 119.36 118.03 1k0t n ILE 11 Ca -0.16 -0.23 0.00 0.00 -0.00 0.00 0.00 62.75 62.36 1k0t n ILE 11 Cb 0.54 0.21 0.00 0.00 -0.00 0.00 0.00 39.64 40.39 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 1.98 2.74 3.13 3.28 0.00 -1.26 -5.13 105.19 109.93 1k0t n GLY 12 Ca -0.03 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.24 2.95 -4.31 0.00 5.66 -1.26 -5.00 114.28 110.08 1k0t n THR 14 Ca 0.02 -4.25 -0.29 0.00 -3.05 0.00 0.00 64.05 56.48 1k0t n THR 14 Cb 0.53 -1.21 -0.11 0.00 -1.55 0.00 0.00 70.33 67.98 1k0t n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1k0t s GLN 15 N -3.74 1.76 0.00 1.09 -2.07 -1.26 -4.38 119.66 111.06 1k0t s GLN 15 Ca 0.53 -1.20 0.00 0.00 -1.82 0.00 0.00 55.36 52.87 1k0t s GLN 15 Cb 0.43 -2.10 0.00 0.00 -1.09 0.00 0.00 33.01 30.26 1k0t s GLN 15 CO -0.16 0.48 0.00 0.00 -1.32 0.00 0.00 175.29 174.28 1k0t n VAL 17 N 0.00 0.00 -0.03 0.00 0.31 -1.26 -4.23 118.33 113.12 1k0t n VAL 17 Ca 0.00 -0.05 -0.07 0.00 -0.01 0.00 0.00 64.34 64.21 1k0t n VAL 17 Cb 0.00 -0.01 -0.02 0.00 -0.91 0.00 0.00 33.84 32.89 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 -1.08 0.24 -1.92 5.55 3.00 -1.26 -4.84 116.66 116.35 1k0t n ARG 18 Ca 0.11 0.10 -0.24 0.00 -0.01 0.00 0.00 57.85 57.82 1k0t n ARG 18 Cb 0.31 -0.91 -0.07 0.00 0.00 0.00 0.00 32.46 31.78 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 -2.34 1.38 -0.30 7.54 0.00 -1.26 -4.55 121.76 122.22 1k0t s ALA 19 Ca -0.14 -1.74 -0.14 0.00 0.00 0.00 0.00 51.96 49.94 1k0t s ALA 19 Cb 0.03 -4.65 0.19 0.00 0.00 0.00 0.00 23.12 18.69 1k0t s ALA 19 CO 0.19 -5.57 1.15 0.00 0.00 0.00 0.00 175.76 171.54 1k0t h PRO 21 N 5.52 0.00 -0.05 0.00 0.13 -1.99 -2.49 132.00 133.11 1k0t h PRO 21 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1k0t h PRO 21 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1k0t h PRO 21 CO -0.13 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 178.92 1k0t n LEU 22 N -2.35 0.60 -3.81 1.56 4.77 -1.26 -4.93 117.00 111.58 1k0t n LEU 22 Ca 0.04 -0.24 -0.29 0.00 -0.03 0.00 0.00 56.01 55.49 1k0t n LEU 22 Cb 0.34 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1k0t n LEU 22 CO 0.26 0.12 -0.19 -0.90 -1.33 0.00 0.00 177.39 175.35 1k0t n ASP 23 N -0.41 -4.87 -0.08 -1.43 5.75 -0.94 -4.76 116.55 109.81 1k0t n ASP 23 Ca 0.16 -1.00 -0.12 0.00 -0.01 0.00 0.00 54.79 53.82 1k0t n ASP 23 Cb 0.17 -1.94 -0.04 0.00 -1.03 0.00 0.00 41.12 38.28 1k0t n ASP 23 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1k0t n VAL 24 N -3.20 1.41 -1.83 2.12 0.31 -1.26 -4.89 118.33 110.99 1k0t n VAL 24 Ca -0.25 0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 63.71 1k0t n VAL 24 Cb 0.65 -2.11 -0.03 0.00 -0.91 0.00 0.00 33.84 31.44 1k0t n VAL 24 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1k0t s LEU 25 N -7.62 3.46 0.00 7.52 1.02 -1.26 -4.46 118.68 117.34 1k0t s LEU 25 Ca -0.26 1.45 0.00 0.00 0.02 0.00 0.00 54.13 55.34 1k0t s LEU 25 Cb 0.06 -3.39 0.00 0.00 0.02 0.00 0.00 46.19 42.88 1k0t s LEU 25 CO 0.37 -1.92 0.00 -0.62 0.02 0.00 0.00 176.35 174.21 1k0t n GLU 26 N 8.63 1.78 -3.45 1.70 1.02 0.36 -4.85 120.64 125.83 1k0t n GLU 26 Ca 0.26 -0.58 -0.37 0.00 -0.02 0.00 0.00 57.16 56.45 1k0t n GLU 26 Cb 0.47 0.15 -0.06 0.00 -0.02 0.00 0.00 31.44 31.97 1k0t n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k0t s MET 27 N -2.29 4.16 0.32 3.49 0.23 -1.26 -0.17 119.30 123.78 1k0t s MET 27 Ca 0.00 0.33 0.05 0.00 -1.03 0.00 0.00 55.69 55.04 1k0t s MET 27 Cb -0.00 -3.36 -0.06 0.00 -1.53 0.00 0.00 34.83 29.88 1k0t s MET 27 CO 0.00 0.37 0.01 0.14 -2.03 0.00 0.00 175.02 173.51 1k0t s VAL 28 N -0.02 1.47 -0.31 5.16 -7.23 -0.40 -4.90 120.40 114.16 1k0t s VAL 28 Ca 0.22 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 58.06 1k0t s VAL 28 Cb -0.15 -2.70 -0.00 0.00 0.56 0.00 0.00 36.38 34.09 1k0t s VAL 28 CO 0.09 -0.11 1.36 -2.16 -0.31 0.00 0.00 175.10 173.97 1k0t s PRO 29 N -3.81 3.84 0.37 4.82 0.04 -1.26 -2.14 135.00 136.86 1k0t s PRO 29 Ca 0.34 1.24 0.04 0.00 0.04 0.00 0.00 61.00 62.65 1k0t s PRO 29 Cb 0.07 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 1k0t s PRO 29 CO 0.14 -1.23 0.08 -0.46 0.04 0.00 0.00 177.00 175.58 1k0t s TRP 30 N 4.67 1.88 -0.38 0.56 -0.11 0.82 -4.77 118.94 121.61 1k0t s TRP 30 Ca 0.59 -1.10 0.12 0.00 1.22 0.00 0.00 56.10 56.93 1k0t s TRP 30 Cb -0.17 -1.25 0.34 0.00 -1.50 0.00 0.00 33.47 30.90 1k0t s TRP 30 CO 0.26 -0.11 0.72 -3.47 -4.62 0.00 0.00 176.95 169.73 1k0t n ASP 31 N -0.98 0.90 0.00 5.86 2.03 -1.26 -3.62 116.55 119.48 1k0t n ASP 31 Ca -0.05 -3.01 0.00 0.00 0.52 0.00 0.00 54.79 52.25 1k0t n ASP 31 Cb 0.66 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 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 0.33 0.07 3.87 0.27 0.00 -1.26 -5.03 105.19 103.44 1k0t n GLY 32 Ca 0.25 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.04 0.00 -0.22 0.00 1.79 -2.00 -0.74 116.57 114.36 1k0t h LYS 34 Ca -0.47 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 57.99 1k0t h LYS 34 Cb 1.31 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.95 1k0t h LYS 34 CO 0.64 0.08 -0.01 0.00 -1.08 0.00 0.00 179.45 179.08 1k0t n ALA 35 N -2.20 2.97 -4.32 3.86 0.00 -1.26 -4.97 120.51 114.60 1k0t n ALA 35 Ca -0.01 -2.45 -0.31 0.00 0.00 0.00 0.00 53.44 50.67 1k0t n ALA 35 Cb 0.23 -0.65 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.74 -0.12 3.30 0.00 0.00 -0.28 -4.85 105.19 102.50 1k0t n GLY 36 Ca 0.21 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 46.33 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 -7.37 0.35 -0.01 1.61 1.03 -1.24 -0.12 119.66 113.91 1k0t s GLN 37 Ca 0.01 1.04 -0.01 0.00 0.04 0.00 0.00 55.36 56.44 1k0t s GLN 37 Cb -0.00 0.33 -0.04 0.00 0.03 0.00 0.00 33.01 33.33 1k0t s GLN 37 CO 1.00 -0.24 0.10 -1.50 -2.54 0.00 0.00 175.29 172.11 1k0t s ILE 38 N 2.49 4.86 -0.55 3.63 2.07 -0.91 -4.73 121.20 128.06 1k0t s ILE 38 Ca -0.03 -0.36 -0.28 0.00 -1.41 0.00 0.00 60.65 58.57 1k0t s ILE 38 Cb -0.11 -3.23 0.03 0.00 0.13 0.00 0.00 42.46 39.27 1k0t s ILE 38 CO -0.13 0.35 1.22 0.00 -1.91 0.00 0.00 174.94 174.46 1k0t s ALA 39 N -1.22 3.01 0.00 1.50 0.00 -1.26 -1.28 121.76 122.51 1k0t s ALA 39 Ca 0.24 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1k0t s ALA 39 Cb -0.12 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 18.98 1k0t s ALA 39 CO 0.15 -2.60 0.00 0.43 0.00 0.00 0.00 175.76 173.73 1k0t n SER 40 N 8.46 0.99 -3.94 0.00 7.64 0.76 -4.85 113.62 122.70 1k0t n SER 40 Ca 0.10 -0.71 -0.30 0.00 1.01 0.00 0.00 58.87 58.98 1k0t n SER 40 Cb 0.49 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.56 1k0t n SER 40 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1k0t s SER 41 N -0.42 4.61 -0.04 6.43 0.15 -1.26 0.14 113.70 123.31 1k0t s SER 41 Ca 0.00 -3.39 -0.06 0.00 0.70 0.00 0.00 55.95 53.20 1k0t s SER 41 Cb 0.00 -1.65 -0.03 0.00 -1.71 0.00 0.00 66.02 62.62 1k0t s SER 41 CO 0.00 -0.17 0.33 1.55 1.20 0.00 0.00 173.24 176.15 1k0t h PRO 42 N 6.03 -0.20 -5.17 5.44 0.13 -1.89 -3.39 132.00 132.95 1k0t h PRO 42 Ca 0.02 0.01 -0.71 0.00 -0.87 0.00 0.00 66.00 64.46 1k0t h PRO 42 Cb 0.83 0.05 -0.15 0.00 0.13 0.00 0.00 31.00 31.86 1k0t h PRO 42 CO 0.71 -0.13 1.52 1.03 -0.23 0.00 0.00 178.00 180.89 1k0t s ARG 43 N -2.20 3.97 0.00 0.86 0.52 -1.26 -4.76 118.95 116.08 1k0t s ARG 43 Ca -0.03 -2.23 0.07 0.00 -0.52 0.00 0.00 55.73 53.03 1k0t s ARG 43 Cb 0.00 -5.19 0.42 0.00 0.52 0.00 0.00 34.95 30.71 1k0t s ARG 43 CO 0.09 -1.93 1.17 2.41 0.02 0.00 0.00 175.30 177.07 1k0t n THR 44 N 5.35 0.00 -0.19 0.02 -1.04 -1.26 -3.93 114.28 113.23 1k0t n THR 44 Ca 0.38 0.00 0.29 0.00 -2.04 0.00 0.00 64.05 62.68 1k0t n THR 44 Cb 0.45 -0.18 0.61 0.00 -1.82 0.00 0.00 70.33 69.39 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 0.00 0.00 -2.82 4.11 -1.97 -3.39 114.58 110.52 1k0t h GLU 45 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1k0t h GLU 45 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1k0t h GLU 45 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 179.01 175.61 1k0t n ASP 46 N -3.55 0.15 -0.59 3.06 2.03 -1.25 -5.05 116.55 111.35 1k0t n ASP 46 Ca 0.21 -0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1k0t n ASP 46 Cb 1.29 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.69 1k0t n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k0t n VAL 48 N -0.94 0.00 0.00 0.00 3.14 -1.26 -5.05 118.33 114.22 1k0t n VAL 48 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1k0t n VAL 48 Cb 0.00 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.49 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 0.83 -1.80 3.43 7.55 0.00 -1.26 -5.14 105.19 108.80 1k0t n GLY 49 Ca 0.00 0.72 -0.36 0.00 0.00 0.00 0.00 46.02 46.38 1k0t n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k0t s LYS 51 N 1.43 3.31 0.01 0.00 2.20 -1.26 -4.39 119.74 121.04 1k0t s LYS 51 Ca 0.05 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 55.03 1k0t s LYS 51 Cb -0.15 -4.85 0.00 0.00 -1.51 0.00 0.00 37.83 31.32 1k0t s LYS 51 CO 0.02 -2.31 0.00 0.54 -0.36 0.00 0.00 175.35 173.24 1k0t n ARG 52 N 9.08 0.00 0.00 4.03 3.00 -1.26 -4.97 116.66 126.54 1k0t n ARG 52 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.06 1k0t n ARG 52 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 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 -1.17 -2.45 0.00 0.00 2.13 -1.26 -4.62 120.64 113.26 1k0t n GLU 54 Ca 0.00 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1k0t n GLU 54 Cb 0.00 -4.62 0.00 0.00 0.27 0.00 0.00 31.44 27.09 1k0t n GLU 54 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1k0t n THR 55 N -2.98 0.00 0.00 6.31 -2.24 -1.26 -4.74 114.28 109.37 1k0t n THR 55 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1k0t n THR 55 Cb 0.50 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1k0t n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k0t n ALA 56 N -2.09 0.00 0.00 6.98 0.00 -1.26 -3.50 120.51 120.63 1k0t n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1k0t n ALA 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.27 1.85 -1.89 0.00 -0.04 -1.26 -4.22 135.00 129.17 1k0t n PRO 58 Ca 0.00 -1.03 0.00 0.00 -0.04 0.00 0.00 63.50 62.43 1k0t n PRO 58 Cb 0.00 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1k0t n PRO 58 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1k0t n THR 59 N 2.98 -5.86 0.00 0.52 -2.24 -1.26 -4.99 114.28 103.43 1k0t n THR 59 Ca 0.40 2.71 0.00 0.00 -2.27 0.00 0.00 64.05 64.88 1k0t n THR 59 Cb 0.55 -3.54 0.00 0.00 -2.10 0.00 0.00 70.33 65.24 1k0t n THR 59 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k0t n ASP 60 N 0.32 0.00 0.00 3.42 9.92 -1.26 -5.02 116.55 123.93 1k0t n ASP 60 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1k0t n ASP 60 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1k0t n ASP 60 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1k0t n PHE 61 N 0.00 0.00 -1.54 1.24 3.72 -1.26 -5.07 117.46 114.55 1k0t n PHE 61 Ca 0.00 0.00 -0.54 0.00 -0.05 0.00 0.00 57.45 56.86 1k0t n PHE 61 Cb 0.00 0.22 -0.06 0.00 -0.94 0.00 0.00 39.48 38.69 1k0t n PHE 61 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 1k0t n LEU 62 N -1.95 0.74 0.00 4.37 -0.00 -1.26 -4.74 117.00 114.16 1k0t n LEU 62 Ca 0.00 1.14 0.00 0.00 -0.00 0.00 0.00 56.01 57.15 1k0t n LEU 62 Cb 0.00 -1.07 0.00 0.00 -0.00 0.00 0.00 43.42 42.35 1k0t n LEU 62 CO 0.00 -1.59 0.00 -1.54 -0.00 0.00 0.00 177.39 174.26 1k0t n SER 63 N 1.98 0.00 0.00 1.45 3.41 -1.26 -4.91 113.62 114.28 1k0t n SER 63 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1k0t n SER 63 Cb 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1k0t n SER 63 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1k0t n ILE 64 N 0.00 0.00 -3.55 -1.33 -0.00 -1.26 -5.10 119.36 108.11 1k0t n ILE 64 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 62.75 62.45 1k0t n ILE 64 Cb 0.00 -0.35 -0.04 0.00 -0.00 0.00 0.00 39.64 39.25 1k0t n ILE 64 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 1k0t s ARG 65 N -0.57 3.64 0.18 0.38 0.52 -1.26 -5.10 118.95 116.73 1k0t s ARG 65 Ca 0.00 -0.05 0.11 0.00 -0.52 0.00 0.00 55.73 55.27 1k0t s ARG 65 Cb 0.00 -2.76 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 1k0t s ARG 65 CO 0.00 0.37 -0.24 0.54 0.02 0.00 0.00 175.30 175.99 1k0t s VAL 66 N -1.82 2.28 0.20 3.52 0.11 -1.26 -4.85 120.40 118.57 1k0t s VAL 66 Ca 0.42 -1.98 0.00 0.00 -2.93 0.00 0.00 61.98 57.49 1k0t s VAL 66 Cb -0.11 -2.07 0.00 0.00 -1.53 0.00 0.00 36.38 32.66 1k0t s VAL 66 CO 0.26 -0.11 0.00 -1.22 -3.33 0.00 0.00 175.10 170.70 1k0t n TYR 67 N 0.36 -2.00 -0.39 1.54 4.02 -1.26 -4.91 117.16 114.52 1k0t n TYR 67 Ca -0.13 0.41 -0.04 0.00 -0.01 0.00 0.00 57.90 58.13 1k0t n TYR 67 Cb 0.56 0.96 0.00 0.00 -0.02 0.00 0.00 39.34 40.84 1k0t n TYR 67 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1k0t n LEU 68 N -3.09 -0.76 -3.59 7.72 7.99 -1.26 -2.08 117.00 121.93 1k0t n LEU 68 Ca 0.00 1.75 -0.42 0.00 -0.01 0.00 0.00 56.01 57.33 1k0t n LEU 68 Cb 0.00 -0.35 -0.06 0.00 -0.11 0.00 0.00 43.42 42.90 1k0t n LEU 68 CO 0.00 -1.53 2.11 0.61 -1.51 0.00 0.00 177.39 177.08 1k0t n GLY 69 N -1.41 2.57 0.00 -0.72 0.00 -1.26 -4.12 105.19 100.25 1k0t n GLY 69 Ca 0.08 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 7.30 1.90 -0.58 4.61 0.00 -0.88 -4.92 120.51 127.94 1k0t n ALA 70 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1k0t n ALA 70 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1k0t n ALA 70 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1k0t n GLU 71 N -0.90 0.00 0.00 0.00 4.07 -1.26 0.12 120.64 122.67 1k0t n GLU 71 Ca 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.18 1k0t n GLU 71 Cb 0.00 0.00 0.40 0.00 -0.06 0.00 0.00 31.44 31.78 1k0t n GLU 71 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1k0t n THR 72 N 0.00 0.49 0.24 6.31 5.66 -1.26 -3.14 114.28 122.58 1k0t n THR 72 Ca 0.00 0.12 -0.16 0.00 -3.05 0.00 0.00 64.05 60.97 1k0t n THR 72 Cb 0.00 -0.87 -0.08 0.00 -1.55 0.00 0.00 70.33 67.83 1k0t n THR 72 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1k0t h THR 73 N 0.00 0.60 -0.02 1.09 2.02 0.70 1.00 112.91 118.30 1k0t h THR 73 Ca 0.00 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1k0t h THR 73 Cb 0.13 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1k0t h THR 73 CO 0.00 0.01 0.08 0.08 0.37 0.00 0.00 175.52 176.06 1k0t h ARG 74 N -0.56 0.00 -0.30 6.66 0.11 -1.77 0.43 114.38 118.95 1k0t h ARG 74 Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1k0t h ARG 74 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 1k0t h ARG 74 CO 0.09 0.00 0.00 0.43 0.10 0.00 0.00 179.97 180.59 1k0t n SER 75 N -3.27 3.35 0.00 0.08 7.64 -0.58 -4.89 113.62 115.95 1k0t n SER 75 Ca -0.02 -2.48 0.00 0.00 1.01 0.00 0.00 58.87 57.37 1k0t n SER 75 Cb 0.15 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1k0t n SER 75 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1k0t n MET 76 N 0.00 0.00 0.00 1.43 1.56 0.34 -0.47 117.12 119.97 1k0t n MET 76 Ca 0.16 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.59 1k0t n MET 76 Cb 0.64 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.01 1k0t n MET 76 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1k0t n GLY 77 N 0.00 -0.02 0.02 -5.12 0.00 -1.14 -4.37 105.19 94.56 1k0t n GLY 77 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.82 2.71 0.00 0.99 -0.00 -1.04 -4.97 117.00 112.87 1k0t n LEU 78 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1k0t n LEU 78 Cb 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.28 1k0t n LEU 78 CO 0.00 0.53 0.00 0.00 -0.00 0.00 0.00 177.39 177.92 1k0t n ALA 79 N -2.59 0.00 0.00 1.96 0.00 0.37 -5.00 120.51 115.26 1k0t n ALA 79 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1k0t n ALA 79 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1k0t n ALA 79 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16