#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 1.87 0.61 7.33 0.00 -1.26 -4.50 115.29 119.35 1k0t s HIS 2 Ca 0.00 -0.91 0.00 0.00 -3.00 0.00 0.00 55.06 51.15 1k0t s HIS 2 Cb 0.00 -1.69 0.00 0.00 -4.00 0.00 0.00 32.58 26.89 1k0t s HIS 2 CO 0.00 0.10 0.00 -1.13 -1.00 0.00 0.00 174.74 172.71 1k0t n SER 3 N -1.35 -8.32 0.12 7.38 3.41 -1.26 -4.92 113.62 108.68 1k0t n SER 3 Ca -0.14 1.75 0.00 0.00 -0.26 0.00 0.00 58.87 60.22 1k0t n SER 3 Cb 0.66 -5.14 0.00 0.00 -0.26 0.00 0.00 64.21 59.47 1k0t n SER 3 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1k0t n VAL 4 N -3.25 0.00 -1.04 -3.33 0.31 -1.26 -4.73 118.33 105.03 1k0t n VAL 4 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1k0t n VAL 4 Cb 0.56 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 1k0t n VAL 4 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1k0t n LYS 5 N -3.19 0.00 -3.03 5.55 4.81 -1.26 -3.94 118.16 117.11 1k0t n LYS 5 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 1k0t n LYS 5 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1k0t n LYS 5 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1k0t n ILE 6 N -0.32 3.96 -3.24 3.15 -0.00 -1.26 -4.67 119.36 116.98 1k0t n ILE 6 Ca 0.00 -5.64 -0.22 0.00 -0.00 0.00 0.00 62.75 56.90 1k0t n ILE 6 Cb 0.00 -1.77 0.00 0.00 -0.00 0.00 0.00 39.64 37.87 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 -3.24 3.23 -0.26 1.39 2.02 -1.25 -4.98 117.35 114.26 1k0t s TYR 7 Ca 0.41 0.08 -0.02 0.00 -0.37 0.00 0.00 57.07 57.17 1k0t s TYR 7 Cb 0.18 -2.12 0.09 0.00 -0.40 0.00 0.00 41.96 39.71 1k0t s TYR 7 CO -0.05 -0.15 2.35 -0.40 -1.57 0.00 0.00 175.55 175.73 1k0t n ASP 8 N -1.87 6.16 -4.34 2.29 5.75 -1.26 -4.80 116.55 118.49 1k0t n ASP 8 Ca -0.00 -2.93 -0.46 0.00 -0.01 0.00 0.00 54.79 51.39 1k0t n ASP 8 Cb 0.58 -1.15 -0.03 0.00 -1.03 0.00 0.00 41.12 39.49 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 -1.57 5.33 0.09 2.12 -1.32 -1.26 -4.99 115.64 114.04 1k0t s THR 9 Ca 0.36 -1.94 -0.17 0.00 -1.21 0.00 0.00 61.69 58.74 1k0t s THR 9 Cb 0.24 -4.45 0.03 0.00 -1.51 0.00 0.00 72.50 66.81 1k0t s THR 9 CO -0.05 -1.03 0.40 0.00 -2.21 0.00 0.00 174.62 171.73 1k0t n ILE 11 N 0.12 0.00 0.00 0.00 -6.64 -1.26 -5.01 119.36 106.57 1k0t n ILE 11 Ca -0.17 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.81 1k0t n ILE 11 Cb 0.62 -0.28 0.00 0.00 -1.44 0.00 0.00 39.64 38.54 1k0t n ILE 11 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1k0t n GLY 12 N 1.91 0.08 3.72 3.28 0.00 -1.26 -5.01 105.19 107.91 1k0t n GLY 12 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.00 3.57 -4.77 0.00 5.66 -1.26 -4.86 114.28 111.63 1k0t n THR 14 Ca -0.07 -4.00 -0.24 0.00 -3.05 0.00 0.00 64.05 56.69 1k0t n THR 14 Cb 0.58 -1.26 -0.15 0.00 -1.55 0.00 0.00 70.33 67.95 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 -3.83 1.33 0.00 1.09 -2.07 -1.26 -4.49 119.66 110.43 1k0t s GLN 15 Ca 0.54 -0.60 0.00 0.00 -1.82 0.00 0.00 55.36 53.48 1k0t s GLN 15 Cb 0.44 -1.29 0.00 0.00 -1.09 0.00 0.00 33.01 31.07 1k0t s GLN 15 CO -0.35 0.35 0.00 0.00 -1.32 0.00 0.00 175.29 173.97 1k0t n VAL 17 N 0.00 0.03 0.00 0.00 0.31 -1.26 -3.65 118.33 113.76 1k0t n VAL 17 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1k0t n VAL 17 Cb 0.00 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 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 -0.64 0.00 -0.30 5.55 3.00 -1.26 -4.85 116.66 118.16 1k0t n ARG 18 Ca 0.14 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 57.87 1k0t n ARG 18 Cb 0.10 -0.39 -0.09 0.00 0.00 0.00 0.00 32.46 32.08 1k0t n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k0t h ALA 19 N 0.00 -0.58 -0.56 7.54 0.00 -1.84 -3.38 119.26 120.43 1k0t h ALA 19 Ca 0.00 0.07 -0.81 0.00 0.00 0.00 0.00 54.91 54.18 1k0t h ALA 19 Cb 0.57 1.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 1k0t h ALA 19 CO 0.00 -0.92 1.05 0.00 0.00 0.00 0.00 179.25 179.38 1k0t h PRO 21 N 7.47 0.68 0.00 0.00 0.13 -1.81 -3.40 132.00 135.07 1k0t h PRO 21 Ca -0.27 -0.66 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 1k0t h PRO 21 Cb 1.39 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.69 1k0t h PRO 21 CO 1.03 1.26 0.00 1.28 -0.23 0.00 0.00 178.00 181.34 1k0t n LEU 22 N -3.86 0.00 0.00 1.56 4.32 -1.26 -4.93 117.00 112.82 1k0t n LEU 22 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 1k0t n LEU 22 Cb 0.83 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.63 1k0t n LEU 22 CO 0.54 0.00 0.00 -0.67 -1.22 0.00 0.00 177.39 176.04 1k0t n ASP 23 N 0.00 0.00 -4.99 -1.43 -0.08 -1.26 -5.16 116.55 103.62 1k0t n ASP 23 Ca 0.00 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.09 1k0t n ASP 23 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 1k0t n ASP 23 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1k0t s VAL 24 N 0.00 3.48 -0.33 5.18 1.01 -1.26 -4.76 120.40 123.72 1k0t s VAL 24 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 1k0t s VAL 24 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1k0t s VAL 24 CO 0.00 -0.09 0.34 0.18 0.00 0.00 0.00 175.10 175.53 1k0t n LEU 25 N -1.83 -4.58 0.00 3.92 4.32 -1.25 -4.85 117.00 112.73 1k0t n LEU 25 Ca 0.04 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 1k0t n LEU 25 Cb 0.59 -2.18 0.00 0.00 -1.62 0.00 0.00 43.42 40.21 1k0t n LEU 25 CO 0.41 -0.74 0.00 -0.62 -1.22 0.00 0.00 177.39 175.22 1k0t n GLU 26 N -1.12 1.61 -2.64 3.23 -0.58 0.53 -4.50 120.64 117.17 1k0t n GLU 26 Ca 0.02 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.35 1k0t n GLU 26 Cb 0.43 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.25 1k0t n GLU 26 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1k0t s MET 27 N -0.88 4.74 0.14 3.49 -1.94 -1.26 0.12 119.30 123.71 1k0t s MET 27 Ca 0.00 1.60 0.00 0.00 -1.71 0.00 0.00 55.69 55.58 1k0t s MET 27 Cb 0.00 -3.27 -0.04 0.00 2.01 0.00 0.00 34.83 33.52 1k0t s MET 27 CO 0.00 0.33 0.02 0.14 -0.01 0.00 0.00 175.02 175.50 1k0t s VAL 28 N -0.85 0.41 -0.18 -6.03 -7.23 0.10 -4.82 120.40 101.80 1k0t s VAL 28 Ca 0.44 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 1k0t s VAL 28 Cb -0.28 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.65 1k0t s VAL 28 CO 0.34 -0.55 1.28 -2.16 -0.31 0.00 0.00 175.10 173.70 1k0t s PRO 29 N -3.96 4.20 0.00 4.82 0.04 -1.26 -0.71 135.00 138.12 1k0t s PRO 29 Ca 0.21 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1k0t s PRO 29 Cb 0.07 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.82 1k0t s PRO 29 CO 0.01 -0.76 0.00 1.87 0.04 0.00 0.00 177.00 178.16 1k0t n TRP 30 N 6.75 0.00 0.00 0.56 -0.00 0.10 -4.67 117.44 120.18 1k0t n TRP 30 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.64 1k0t n TRP 30 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.76 1k0t n TRP 30 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1k0t n ASP 31 N 0.00 0.00 0.16 5.87 2.03 -1.11 -4.70 116.55 118.80 1k0t n ASP 31 Ca 0.00 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 1k0t n ASP 31 Cb 0.00 0.00 0.45 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.00 -0.71 3.85 0.27 0.00 -1.26 -3.80 105.19 103.53 1k0t n GLY 32 Ca 0.00 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 0.49 0.00 -0.23 0.00 3.11 -1.88 0.21 116.57 118.27 1k0t h LYS 34 Ca -0.46 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 1k0t h LYS 34 Cb 1.19 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.42 1k0t h LYS 34 CO 0.61 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 177.25 1k0t n ALA 35 N -2.45 2.57 -3.60 5.00 0.00 -1.26 -4.95 120.51 115.81 1k0t n ALA 35 Ca -0.00 -1.88 -0.26 0.00 0.00 0.00 0.00 53.44 51.29 1k0t n ALA 35 Cb 0.20 -0.52 0.04 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.32 -0.52 2.96 0.00 0.00 0.73 -4.88 105.19 103.16 1k0t n GLY 36 Ca 0.16 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.22 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 -6.30 0.12 0.04 1.61 1.03 -1.26 0.03 119.66 114.93 1k0t s GLN 37 Ca 0.55 0.65 -0.05 0.00 0.04 0.00 0.00 55.36 56.55 1k0t s GLN 37 Cb -0.26 -0.12 -0.05 0.00 0.03 0.00 0.00 33.01 32.61 1k0t s GLN 37 CO 0.68 -0.27 0.28 -1.50 -2.54 0.00 0.00 175.29 171.94 1k0t s ILE 38 N 2.15 5.29 -0.46 3.63 2.07 0.11 -4.70 121.20 129.30 1k0t s ILE 38 Ca -0.00 0.03 -0.27 0.00 -1.41 0.00 0.00 60.65 59.01 1k0t s ILE 38 Cb -0.12 -3.59 0.03 0.00 0.13 0.00 0.00 42.46 38.91 1k0t s ILE 38 CO -0.08 0.26 0.99 0.00 -1.91 0.00 0.00 174.94 174.20 1k0t s ALA 39 N -1.41 3.23 0.21 1.50 0.00 -1.26 0.03 121.76 124.05 1k0t s ALA 39 Ca 0.32 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 1k0t s ALA 39 Cb -0.13 -3.71 0.01 0.00 0.00 0.00 0.00 23.12 19.29 1k0t s ALA 39 CO 0.20 -2.08 0.32 0.43 0.00 0.00 0.00 175.76 174.63 1k0t n SER 40 N 7.34 -0.90 -4.74 0.00 7.64 0.32 -4.83 113.62 118.44 1k0t n SER 40 Ca 0.08 -2.05 -0.40 0.00 1.01 0.00 0.00 58.87 57.51 1k0t n SER 40 Cb 0.49 1.62 -0.05 0.00 -1.01 0.00 0.00 64.21 65.26 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 -2.23 7.20 -0.07 6.43 0.01 -1.26 0.20 113.70 123.97 1k0t s SER 41 Ca 0.15 1.43 -0.15 0.00 1.31 0.00 0.00 55.95 58.69 1k0t s SER 41 Cb -0.01 -2.47 -0.11 0.00 0.21 0.00 0.00 66.02 63.64 1k0t s SER 41 CO 0.11 -0.00 0.60 1.55 0.41 0.00 0.00 173.24 175.90 1k0t h PRO 42 N 5.79 -0.22 0.00 12.44 0.13 -1.91 -3.43 132.00 144.79 1k0t h PRO 42 Ca -0.44 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1k0t h PRO 42 Cb 1.20 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1k0t h PRO 42 CO 0.71 0.09 -0.12 0.54 -0.23 0.00 0.00 178.00 178.99 1k0t n ARG 43 N -4.92 0.00 -2.00 0.86 1.74 -1.26 -4.98 116.66 106.09 1k0t n ARG 43 Ca -0.06 -0.45 0.00 0.00 -0.77 0.00 0.00 57.85 56.57 1k0t n ARG 43 Cb 0.21 -0.32 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 1k0t n ARG 43 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1k0t n THR 44 N 0.00 0.00 0.25 0.55 -1.04 -1.26 -4.67 114.28 108.10 1k0t n THR 44 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 1k0t n THR 44 Cb 0.55 0.00 0.60 0.00 -1.82 0.00 0.00 70.33 69.66 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 -3.43 -2.82 4.11 -1.99 -3.29 114.58 107.15 1k0t h GLU 45 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.75 1k0t h GLU 45 Cb 0.69 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 29.57 1k0t h GLU 45 CO 0.00 0.08 -0.40 -0.51 0.07 0.00 0.00 179.01 178.26 1k0t s ASP 46 N -6.97 5.11 0.00 3.06 1.11 -1.26 -5.00 116.67 112.72 1k0t s ASP 46 Ca -0.04 -3.15 0.00 0.00 0.18 0.00 0.00 52.55 49.54 1k0t s ASP 46 Cb 0.16 -1.79 0.00 0.00 1.07 0.00 0.00 42.92 42.36 1k0t s ASP 46 CO 0.67 -0.28 0.00 0.00 1.18 0.00 0.00 175.17 176.75 1k0t n VAL 48 N -0.54 0.00 0.00 0.00 0.24 -1.26 -5.07 118.33 111.71 1k0t n VAL 48 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1k0t n VAL 48 Cb 0.00 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.00 1k0t n VAL 48 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k0t n GLY 49 N 1.06 -0.63 0.09 7.63 0.00 -1.26 -5.04 105.19 107.04 1k0t n GLY 49 Ca 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.47 0.00 -2.70 0.00 4.81 -1.26 -5.04 118.16 110.49 1k0t n LYS 51 Ca -0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1k0t n LYS 51 Cb 0.83 -0.96 0.09 0.00 0.02 0.00 0.00 35.03 35.00 1k0t n LYS 51 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1k0t n ARG 52 N -0.75 1.28 -1.92 1.64 1.74 -1.26 -4.89 116.66 112.50 1k0t n ARG 52 Ca 0.00 -2.36 -0.02 0.00 -0.77 0.00 0.00 57.85 54.71 1k0t n ARG 52 Cb 0.27 -0.52 0.03 0.00 -1.02 0.00 0.00 32.46 31.22 1k0t n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k0t n GLU 54 N -0.39 2.37 -1.20 0.00 -0.58 -1.26 -3.97 120.64 115.61 1k0t n GLU 54 Ca -0.10 -2.27 0.03 0.00 -0.42 0.00 0.00 57.16 54.40 1k0t n GLU 54 Cb 0.88 -2.13 0.02 0.00 -0.57 0.00 0.00 31.44 29.64 1k0t n GLU 54 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1k0t n THR 55 N 0.93 0.05 -0.62 2.62 5.66 -1.26 -4.63 114.28 117.02 1k0t n THR 55 Ca 0.48 -0.77 -0.22 0.00 -3.05 0.00 0.00 64.05 60.49 1k0t n THR 55 Cb 0.57 0.83 0.13 0.00 -1.55 0.00 0.00 70.33 70.31 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 0.32 -1.53 -1.21 1.79 0.00 -1.25 -4.39 120.51 114.24 1k0t n ALA 56 Ca 0.05 -1.05 -0.30 0.00 0.00 0.00 0.00 53.44 52.14 1k0t n ALA 56 Cb 1.02 -0.93 0.22 0.00 0.00 0.00 0.00 19.45 19.76 1k0t n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k0t s PRO 58 N -5.36 1.91 0.15 0.00 0.04 -1.26 -4.63 135.00 125.85 1k0t s PRO 58 Ca 0.70 0.57 0.13 0.00 0.04 0.00 0.00 61.00 62.43 1k0t s PRO 58 Cb -0.11 -1.90 0.63 0.00 0.04 0.00 0.00 34.50 33.16 1k0t s PRO 58 CO 0.56 -1.73 1.39 2.41 0.04 0.00 0.00 177.00 179.67 1k0t n THR 59 N -3.49 1.37 -0.02 1.26 -1.04 -1.26 -2.34 114.28 108.76 1k0t n THR 59 Ca 0.07 0.51 0.23 0.00 -2.04 0.00 0.00 64.05 62.82 1k0t n THR 59 Cb 0.57 -1.47 0.59 0.00 -1.82 0.00 0.00 70.33 68.20 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 -2.04 -3.34 116.42 122.36 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 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1k0t h ASP 60 CO 0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 1k0t n PHE 61 N -3.41 0.00 -1.66 4.55 3.72 -0.99 -5.03 117.46 114.64 1k0t n PHE 61 Ca 0.13 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 57.05 1k0t n PHE 61 Cb 1.01 0.08 -0.05 0.00 -0.94 0.00 0.00 39.48 39.58 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 -1.54 3.34 -1.92 4.37 -0.00 -1.22 -4.69 117.00 115.34 1k0t n LEU 62 Ca 0.00 0.88 -0.01 0.00 -0.00 0.00 0.00 56.01 56.88 1k0t n LEU 62 Cb 0.00 -1.37 -0.00 0.00 -0.00 0.00 0.00 43.42 42.04 1k0t n LEU 62 CO 0.00 -0.14 0.39 -0.24 -0.00 0.00 0.00 177.39 177.40 1k0t n SER 63 N 7.26 -0.41 0.00 1.45 2.88 -1.26 -4.23 113.62 119.31 1k0t n SER 63 Ca 0.25 -1.25 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 1k0t n SER 63 Cb 0.30 0.35 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1k0t n SER 63 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1k0t n ILE 64 N -0.24 0.00 -3.00 2.46 5.41 -1.26 -5.09 119.36 117.63 1k0t n ILE 64 Ca -0.10 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.39 1k0t n ILE 64 Cb 0.56 -0.75 -0.01 0.00 -0.71 0.00 0.00 39.64 38.73 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 -0.77 3.52 -0.12 0.38 3.00 -1.26 -5.09 118.95 118.61 1k0t s ARG 65 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 55.73 55.67 1k0t s ARG 65 Cb 0.00 -2.52 0.02 0.00 0.00 0.00 0.00 34.95 32.46 1k0t s ARG 65 CO 0.00 -0.03 -0.08 0.54 0.00 0.00 0.00 175.30 175.73 1k0t s VAL 66 N -2.52 1.07 0.00 3.52 0.11 -1.26 -4.73 120.40 116.59 1k0t s VAL 66 Ca 0.44 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1k0t s VAL 66 Cb -0.10 -1.08 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 1k0t s VAL 66 CO 0.40 0.37 0.00 -1.22 -3.33 0.00 0.00 175.10 171.32 1k0t n TYR 67 N 4.93 0.00 -1.69 1.54 4.01 -1.26 -4.83 117.16 119.86 1k0t n TYR 67 Ca -0.13 0.00 -0.65 0.00 -0.16 0.00 0.00 57.90 56.97 1k0t n TYR 67 Cb 0.50 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.44 1k0t n TYR 67 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1k0t n LEU 68 N -2.48 1.07 -2.85 7.72 7.99 -1.26 -1.01 117.00 126.18 1k0t n LEU 68 Ca 0.00 1.17 -0.12 0.00 -0.01 0.00 0.00 56.01 57.05 1k0t n LEU 68 Cb 0.00 -0.92 0.06 0.00 -0.11 0.00 0.00 43.42 42.45 1k0t n LEU 68 CO 0.00 -1.04 0.03 0.61 -1.51 0.00 0.00 177.39 175.49 1k0t n GLY 69 N 3.44 -0.59 2.15 -0.72 0.00 -1.26 -4.79 105.19 103.42 1k0t n GLY 69 Ca 0.28 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -2.93 1.18 -0.37 4.61 0.00 -0.18 -4.89 120.51 117.93 1k0t n ALA 70 Ca -0.08 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.66 1k0t n ALA 70 Cb 0.60 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.67 1k0t n ALA 70 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1k0t h GLU 71 N 0.00 0.19 -7.16 0.00 9.09 -1.89 -3.44 114.58 111.37 1k0t h GLU 71 Ca 0.00 -0.01 -0.62 0.00 0.05 0.00 0.00 59.36 58.78 1k0t h GLU 71 Cb 0.00 -0.04 -0.36 0.00 -1.65 0.00 0.00 28.75 26.70 1k0t h GLU 71 CO 0.00 0.13 -0.91 0.25 0.05 0.00 0.00 179.01 178.53 1k0t n THR 72 N -4.50 -0.20 0.23 -1.06 -2.24 -1.26 -4.67 114.28 100.59 1k0t n THR 72 Ca 0.29 -0.06 0.04 0.00 -2.27 0.00 0.00 64.05 62.05 1k0t n THR 72 Cb 1.17 -0.65 0.18 0.00 -2.10 0.00 0.00 70.33 68.93 1k0t n THR 72 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1k0t n THR 73 N -4.14 1.49 0.39 4.28 5.66 -1.26 0.22 114.28 120.91 1k0t n THR 73 Ca 0.06 0.39 0.10 0.00 -3.05 0.00 0.00 64.05 61.55 1k0t n THR 73 Cb 0.48 -1.29 -0.13 0.00 -1.55 0.00 0.00 70.33 67.84 1k0t n THR 73 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1k0t n ARG 74 N -1.56 0.63 -0.00 1.09 0.00 -1.26 -2.18 116.66 113.37 1k0t n ARG 74 Ca 0.01 -0.10 0.01 0.00 -0.00 0.00 0.00 57.85 57.77 1k0t n ARG 74 Cb 0.08 -1.44 0.01 0.00 -0.00 0.00 0.00 32.46 31.11 1k0t n ARG 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1k0t n SER 75 N -1.86 1.30 0.00 2.89 2.88 0.21 -4.78 113.62 114.25 1k0t n SER 75 Ca -0.00 -1.24 0.00 0.00 -1.33 0.00 0.00 58.87 56.30 1k0t n SER 75 Cb 0.42 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1k0t n SER 75 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1k0t n MET 76 N -0.01 0.00 -0.84 -1.46 2.81 0.58 -4.88 117.12 113.32 1k0t n MET 76 Ca 0.01 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.81 1k0t n MET 76 Cb 0.08 -0.37 -0.08 0.00 -0.71 0.00 0.00 33.22 32.14 1k0t n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1k0t n GLY 77 N 1.19 3.03 0.56 3.03 0.00 -0.93 -3.36 105.19 108.71 1k0t n GLY 77 Ca 0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 1k0t n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k0t n LEU 78 N 1.79 1.27 0.00 0.99 4.77 -1.25 -4.71 117.00 119.86 1k0t n LEU 78 Ca 0.26 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1k0t n LEU 78 Cb 0.70 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1k0t n LEU 78 CO 0.12 -0.10 -0.24 0.00 -1.33 0.00 0.00 177.39 175.84 1k0t n ALA 79 N -3.82 2.39 0.00 -1.18 0.00 -1.25 -5.18 120.51 111.47 1k0t n ALA 79 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1k0t n ALA 79 Cb 0.49 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1k0t n ALA 79 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16