#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 1.15 0.59 7.33 3.76 -1.26 -4.67 115.29 122.19 1k0t s HIS 2 Ca 0.00 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 1k0t s HIS 2 Cb 0.00 -0.67 0.00 0.00 1.11 0.00 0.00 32.58 33.02 1k0t s HIS 2 CO 0.00 0.03 0.00 -1.13 -0.85 0.00 0.00 174.74 172.79 1k0t n SER 3 N 1.69 -7.60 -2.70 1.40 3.41 -1.26 -4.92 113.62 103.64 1k0t n SER 3 Ca -0.19 1.49 -0.08 0.00 -0.26 0.00 0.00 58.87 59.83 1k0t n SER 3 Cb 0.55 -4.89 0.10 0.00 -0.26 0.00 0.00 64.21 59.71 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 -3.94 0.16 0.00 -3.33 3.14 -1.26 -4.70 118.33 108.40 1k0t n VAL 4 Ca -0.07 -1.79 0.00 0.00 -2.96 0.00 0.00 64.34 59.52 1k0t n VAL 4 Cb 0.61 0.96 0.00 0.00 -1.06 0.00 0.00 33.84 34.36 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 -0.44 -0.85 -3.03 1.45 4.76 -1.26 -4.85 118.16 113.94 1k0t n LYS 5 Ca -0.00 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.00 1k0t n LYS 5 Cb 0.83 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 34.03 1k0t n LYS 5 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1k0t n ILE 6 N -2.39 4.94 -4.04 -0.18 2.08 -1.26 -4.76 119.36 113.75 1k0t n ILE 6 Ca 0.00 -5.53 -0.23 0.00 0.56 0.00 0.00 62.75 57.55 1k0t n ILE 6 Cb 0.00 -2.28 -0.06 0.00 -0.75 0.00 0.00 39.64 36.55 1k0t n ILE 6 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1k0t s TYR 7 N -1.74 2.70 -0.19 1.39 2.02 -1.26 -5.00 117.35 115.27 1k0t s TYR 7 Ca 0.33 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.57 1k0t s TYR 7 Cb 0.01 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.79 1k0t s TYR 7 CO 0.03 0.26 2.72 -0.40 -1.57 0.00 0.00 175.55 176.60 1k0t n ASP 8 N -1.21 5.86 -4.42 2.29 5.75 -1.26 -4.81 116.55 118.74 1k0t n ASP 8 Ca -0.02 -2.79 -0.44 0.00 -0.01 0.00 0.00 54.79 51.53 1k0t n ASP 8 Cb 0.62 -1.23 -0.03 0.00 -1.03 0.00 0.00 41.12 39.44 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 -0.78 4.77 -0.30 2.12 -1.32 -1.26 -4.92 115.64 113.95 1k0t s THR 9 Ca 0.44 -1.30 -0.04 0.00 -1.21 0.00 0.00 61.69 59.57 1k0t s THR 9 Cb 0.26 -4.66 0.17 0.00 -1.51 0.00 0.00 72.50 66.76 1k0t s THR 9 CO -0.06 -1.35 0.62 0.00 -2.21 0.00 0.00 174.62 171.61 1k0t n ILE 11 N 5.44 0.81 -1.18 0.00 -0.00 -1.26 -4.91 119.36 118.25 1k0t n ILE 11 Ca -0.05 -0.90 0.00 0.00 -0.00 0.00 0.00 62.75 61.80 1k0t n ILE 11 Cb 0.50 0.69 0.00 0.00 -0.00 0.00 0.00 39.64 40.83 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 1.60 0.61 3.38 3.28 0.00 -1.26 -5.10 105.19 107.70 1k0t n GLY 12 Ca 0.23 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 0.88 4.96 -3.81 0.00 5.66 -1.26 -4.89 114.28 115.82 1k0t n THR 14 Ca -0.18 -4.62 -0.12 0.00 -3.05 0.00 0.00 64.05 56.08 1k0t n THR 14 Cb 0.53 -2.15 -0.11 0.00 -1.55 0.00 0.00 70.33 67.05 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 -0.92 0.37 0.00 1.09 -2.07 -1.26 -4.80 119.66 112.07 1k0t s GLN 15 Ca 0.45 0.08 0.00 0.00 -1.82 0.00 0.00 55.36 54.07 1k0t s GLN 15 Cb 0.14 0.17 0.00 0.00 -1.09 0.00 0.00 33.01 32.23 1k0t s GLN 15 CO -0.04 -0.07 0.00 0.00 -1.32 0.00 0.00 175.29 173.86 1k0t n VAL 17 N -1.63 0.88 0.05 0.00 0.31 -1.26 -4.55 118.33 112.14 1k0t n VAL 17 Ca 0.00 -0.94 0.00 0.00 -0.01 0.00 0.00 64.34 63.39 1k0t n VAL 17 Cb 0.00 0.61 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 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 1.38 0.00 -1.98 5.55 3.00 -1.26 -4.91 116.66 118.43 1k0t n ARG 18 Ca 0.21 0.00 -0.25 0.00 -0.01 0.00 0.00 57.85 57.80 1k0t n ARG 18 Cb 0.57 -0.40 -0.06 0.00 0.00 0.00 0.00 32.46 32.57 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 -2.00 1.53 -0.30 7.54 0.00 -1.26 -4.68 121.76 122.59 1k0t s ALA 19 Ca 0.00 -1.74 -0.08 0.00 0.00 0.00 0.00 51.96 50.14 1k0t s ALA 19 Cb 0.00 -4.63 0.19 0.00 0.00 0.00 0.00 23.12 18.68 1k0t s ALA 19 CO 0.00 -5.30 0.93 0.00 0.00 0.00 0.00 175.76 171.39 1k0t h PRO 21 N 7.61 0.61 0.00 0.00 0.13 -2.00 -3.05 132.00 135.29 1k0t h PRO 21 Ca -0.09 -0.59 -0.04 0.00 -0.87 0.00 0.00 66.00 64.41 1k0t h PRO 21 Cb 1.18 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1k0t h PRO 21 CO -0.03 1.21 -0.19 -0.07 -0.23 0.00 0.00 178.00 178.69 1k0t h LEU 22 N 0.37 0.00 -2.23 1.56 4.07 -1.98 -3.48 115.31 113.62 1k0t h LEU 22 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1k0t h LEU 22 Cb 1.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.29 1k0t h LEU 22 CO 0.17 0.19 -0.81 -0.67 -1.08 0.00 0.00 178.44 176.25 1k0t n ASP 23 N -3.44 -7.66 0.00 -0.43 2.03 -1.15 -4.97 116.55 100.92 1k0t n ASP 23 Ca -0.00 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.43 1k0t n ASP 23 Cb 0.37 -5.11 0.00 0.00 -0.72 0.00 0.00 41.12 35.67 1k0t n ASP 23 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1k0t n VAL 24 N 0.39 0.00 -1.85 5.18 3.14 -1.26 -5.00 118.33 118.93 1k0t n VAL 24 Ca 0.03 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.99 1k0t n VAL 24 Cb 0.12 -0.67 -0.03 0.00 -1.06 0.00 0.00 33.84 32.20 1k0t n VAL 24 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1k0t s LEU 25 N -5.00 4.18 0.00 6.55 1.02 -1.26 -4.58 118.68 119.59 1k0t s LEU 25 Ca 0.00 2.25 0.00 0.00 0.02 0.00 0.00 54.13 56.40 1k0t s LEU 25 Cb 0.00 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.68 1k0t s LEU 25 CO 0.00 -1.16 0.00 -0.62 0.02 0.00 0.00 176.35 174.59 1k0t n GLU 26 N 7.59 0.88 -3.52 1.70 -0.58 0.13 -4.92 120.64 121.91 1k0t n GLU 26 Ca 0.20 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.57 1k0t n GLU 26 Cb 0.43 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.24 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 -1.75 4.00 0.36 3.49 0.23 -1.26 -0.25 119.30 124.13 1k0t s MET 27 Ca 0.00 0.28 0.05 0.00 -1.03 0.00 0.00 55.69 54.99 1k0t s MET 27 Cb 0.00 -3.30 -0.06 0.00 -1.53 0.00 0.00 34.83 29.94 1k0t s MET 27 CO 0.00 0.52 0.05 0.14 -2.03 0.00 0.00 175.02 173.69 1k0t s VAL 28 N -0.46 1.40 -0.29 5.16 -7.23 0.13 -4.87 120.40 114.24 1k0t s VAL 28 Ca 0.21 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.09 1k0t s VAL 28 Cb -0.15 -2.81 -0.00 0.00 0.56 0.00 0.00 36.38 33.98 1k0t s VAL 28 CO 0.10 0.00 1.34 -2.16 -0.31 0.00 0.00 175.10 174.07 1k0t s PRO 29 N -3.83 3.89 0.32 4.82 0.04 -1.26 -1.51 135.00 137.47 1k0t s PRO 29 Ca 0.34 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.71 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 -1.15 0.15 -0.46 0.04 0.00 0.00 177.00 175.73 1k0t s TRP 30 N 4.50 1.67 -0.38 0.56 -0.00 -0.03 -4.69 118.94 120.57 1k0t s TRP 30 Ca 0.58 -1.32 0.11 0.00 -0.00 0.00 0.00 56.10 55.47 1k0t s TRP 30 Cb -0.18 -0.95 0.34 0.00 -0.00 0.00 0.00 33.47 32.69 1k0t s TRP 30 CO 0.24 -0.44 0.74 -3.47 -0.00 0.00 0.00 176.95 174.02 1k0t n ASP 31 N -0.98 0.54 0.00 5.86 -0.08 -1.26 -3.69 116.55 116.94 1k0t n ASP 31 Ca -0.00 -3.03 0.00 0.00 -1.51 0.00 0.00 54.79 50.25 1k0t n ASP 31 Cb 0.65 -0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.67 1k0t n ASP 31 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k0t n GLY 32 N 0.39 0.09 3.79 0.27 0.00 -1.26 -5.03 105.19 103.44 1k0t n GLY 32 Ca 0.23 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.62 0.00 -0.23 0.00 1.57 -2.00 -1.73 116.57 112.56 1k0t h LYS 34 Ca -0.49 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.24 1k0t h LYS 34 Cb 1.31 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.59 1k0t h LYS 34 CO 0.56 0.18 -0.04 0.00 -0.57 0.00 0.00 179.45 179.58 1k0t n ALA 35 N -2.31 3.26 -4.24 3.86 0.00 -1.26 -4.97 120.51 114.86 1k0t n ALA 35 Ca -0.01 -2.65 -0.33 0.00 0.00 0.00 0.00 53.44 50.45 1k0t n ALA 35 Cb 0.30 -0.65 -0.08 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.89 -0.23 3.10 0.00 0.00 -0.65 -4.87 105.19 101.66 1k0t n GLY 36 Ca 0.24 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 -7.29 0.21 -0.02 1.61 1.03 -1.24 -0.85 119.66 113.10 1k0t s GLN 37 Ca 0.08 0.85 -0.10 0.00 0.04 0.00 0.00 55.36 56.24 1k0t s GLN 37 Cb -0.05 0.10 -0.05 0.00 0.03 0.00 0.00 33.01 33.04 1k0t s GLN 37 CO 0.97 -0.28 0.29 -1.50 -2.54 0.00 0.00 175.29 172.23 1k0t s ILE 38 N 2.49 5.25 -0.60 3.63 1.10 -0.57 -4.72 121.20 127.78 1k0t s ILE 38 Ca 0.00 0.43 -0.27 0.00 -0.51 0.00 0.00 60.65 60.30 1k0t s ILE 38 Cb -0.12 -3.57 0.03 0.00 0.15 0.00 0.00 42.46 38.95 1k0t s ILE 38 CO -0.10 0.50 1.15 0.00 -2.11 0.00 0.00 174.94 174.38 1k0t s ALA 39 N -1.16 3.00 0.13 1.50 0.00 -1.26 0.20 121.76 124.18 1k0t s ALA 39 Ca 0.23 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1k0t s ALA 39 Cb -0.14 -4.00 -0.01 0.00 0.00 0.00 0.00 23.12 18.97 1k0t s ALA 39 CO 0.12 -2.69 0.08 0.43 0.00 0.00 0.00 175.76 173.69 1k0t n SER 40 N 8.35 0.37 -4.08 0.00 7.64 0.66 -4.87 113.62 121.70 1k0t n SER 40 Ca 0.06 -1.77 -0.35 0.00 1.01 0.00 0.00 58.87 57.82 1k0t n SER 40 Cb 0.49 0.48 -0.11 0.00 -1.01 0.00 0.00 64.21 64.06 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 -1.85 5.11 -0.06 6.43 0.01 -1.26 0.19 113.70 122.26 1k0t s SER 41 Ca 0.11 -2.75 -0.10 0.00 1.31 0.00 0.00 55.95 54.52 1k0t s SER 41 Cb 0.01 -1.82 -0.05 0.00 0.21 0.00 0.00 66.02 64.36 1k0t s SER 41 CO 0.08 -0.37 0.40 1.55 0.41 0.00 0.00 173.24 175.30 1k0t h PRO 42 N 7.11 -0.33 -4.27 12.44 0.13 -1.91 -3.39 132.00 141.78 1k0t h PRO 42 Ca -0.04 0.02 -0.76 0.00 -0.87 0.00 0.00 66.00 64.35 1k0t h PRO 42 Cb 0.96 0.08 -0.22 0.00 0.13 0.00 0.00 31.00 31.95 1k0t h PRO 42 CO 0.70 -0.22 0.98 1.03 -0.23 0.00 0.00 178.00 180.27 1k0t s ARG 43 N -2.68 4.13 -0.15 0.86 1.81 -1.26 -4.82 118.95 116.85 1k0t s ARG 43 Ca -0.05 -2.83 0.01 0.00 -1.72 0.00 0.00 55.73 51.13 1k0t s ARG 43 Cb 0.00 -4.86 0.20 0.00 -0.45 0.00 0.00 34.95 29.84 1k0t s ARG 43 CO 0.15 -1.55 1.37 2.41 -0.68 0.00 0.00 175.30 177.01 1k0t n THR 44 N 3.85 1.78 0.18 0.02 -1.04 -1.26 -4.31 114.28 113.50 1k0t n THR 44 Ca 0.31 -0.67 0.12 0.00 -2.04 0.00 0.00 64.05 61.77 1k0t n THR 44 Cb 0.41 -0.91 0.63 0.00 -1.82 0.00 0.00 70.33 68.65 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 0.43 0.00 0.00 -2.82 4.11 -1.97 -3.42 114.58 110.92 1k0t h GLU 45 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1k0t h GLU 45 Cb 1.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1k0t h GLU 45 CO 0.36 0.00 0.00 -3.47 0.07 0.00 0.00 179.01 175.97 1k0t n ASP 46 N -2.32 0.32 -0.88 3.06 -0.08 -1.26 -5.11 116.55 110.28 1k0t n ASP 46 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1k0t n ASP 46 Cb 0.07 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.53 1k0t n ASP 46 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k0t n VAL 48 N -1.05 0.44 -3.02 0.00 0.24 -1.26 -5.05 118.33 108.63 1k0t n VAL 48 Ca 0.00 -1.65 -0.12 0.00 -2.04 0.00 0.00 64.34 60.54 1k0t n VAL 48 Cb 0.02 1.10 0.01 0.00 -1.47 0.00 0.00 33.84 33.51 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 -1.20 -1.57 1.75 7.63 0.00 -1.26 -4.86 105.19 105.69 1k0t n GLY 49 Ca -0.09 0.83 -0.05 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.04 -1.71 0.00 0.00 4.81 -1.26 -4.86 118.16 115.09 1k0t n LYS 51 Ca 0.32 1.05 0.00 0.00 -0.87 0.00 0.00 58.31 58.81 1k0t n LYS 51 Cb 1.18 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 34.02 1k0t n LYS 51 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1k0t n ARG 52 N -1.58 0.00 -1.29 1.64 3.00 -1.26 -4.89 116.66 112.28 1k0t n ARG 52 Ca -0.22 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.41 1k0t n ARG 52 Cb 0.69 -0.16 -0.10 0.00 0.00 0.00 0.00 32.46 32.89 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 1.98 3.74 0.07 0.00 2.13 -1.26 -3.81 120.64 123.49 1k0t n GLU 54 Ca 0.50 -2.88 0.00 0.00 0.66 0.00 0.00 57.16 55.45 1k0t n GLU 54 Cb 0.66 -2.89 0.00 0.00 0.27 0.00 0.00 31.44 29.49 1k0t n GLU 54 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1k0t n THR 55 N 3.37 0.00 0.00 6.31 5.66 -1.26 -4.82 114.28 123.54 1k0t n THR 55 Ca 0.61 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.61 1k0t n THR 55 Cb 0.29 -0.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 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 -2.85 0.00 -3.63 1.79 0.00 -1.25 0.12 120.51 114.69 1k0t n ALA 56 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1k0t n ALA 56 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.19 3.11 1.15 0.00 0.04 -1.26 -3.60 135.00 134.25 1k0t s PRO 58 Ca 0.05 -0.88 0.00 0.00 0.04 0.00 0.00 61.00 60.21 1k0t s PRO 58 Cb -0.04 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1k0t s PRO 58 CO -0.09 -2.85 0.00 0.25 0.04 0.00 0.00 177.00 174.35 1k0t n THR 59 N 7.32 0.00 0.00 1.26 -2.24 -1.26 -4.78 114.28 114.58 1k0t n THR 59 Ca 0.39 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.17 1k0t n THR 59 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1k0t n THR 59 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1k0t n ASP 60 N -3.57 0.00 0.00 3.42 2.03 -1.26 -4.54 116.55 112.63 1k0t n ASP 60 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1k0t n ASP 60 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1k0t n ASP 60 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1k0t n PHE 61 N 0.00 0.00 0.00 -0.67 3.72 -1.26 -5.00 117.46 114.25 1k0t n PHE 61 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1k0t n PHE 61 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 0.00 0.00 -0.79 4.37 4.77 -1.26 -4.80 117.00 119.29 1k0t n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1k0t n LEU 62 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1k0t n LEU 62 CO 0.00 0.00 -0.23 -0.24 -1.33 0.00 0.00 177.39 175.59 1k0t n SER 63 N 1.81 -4.68 -4.69 -1.43 2.88 -1.26 -4.66 113.62 101.60 1k0t n SER 63 Ca 0.00 0.66 -0.42 0.00 -1.33 0.00 0.00 58.87 57.78 1k0t n SER 63 Cb 0.00 -1.89 -0.03 0.00 -0.75 0.00 0.00 64.21 61.54 1k0t n SER 63 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1k0t s ILE 64 N -3.00 4.23 0.00 2.46 2.07 -1.26 -4.74 121.20 120.95 1k0t s ILE 64 Ca 0.00 1.55 0.00 0.00 -1.41 0.00 0.00 60.65 60.79 1k0t s ILE 64 Cb 0.00 -4.00 0.00 0.00 0.13 0.00 0.00 42.46 38.59 1k0t s ILE 64 CO 0.00 -0.01 0.00 0.54 -1.91 0.00 0.00 174.94 173.56 1k0t n ARG 65 N 5.33 0.00 -2.37 3.50 5.12 -1.26 -5.12 116.66 121.87 1k0t n ARG 65 Ca 0.11 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 56.03 1k0t n ARG 65 Cb 0.46 -0.17 -0.00 0.00 -1.16 0.00 0.00 32.46 31.58 1k0t n ARG 65 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1k0t n VAL 66 N -1.90 -9.38 0.11 1.55 0.31 -1.26 -5.04 118.33 102.73 1k0t n VAL 66 Ca 0.00 1.42 0.00 0.00 -0.01 0.00 0.00 64.34 65.75 1k0t n VAL 66 Cb 0.00 -6.08 0.00 0.00 -0.91 0.00 0.00 33.84 26.85 1k0t n VAL 66 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1k0t n TYR 67 N 0.59 -1.78 -1.33 3.52 4.02 -1.26 -4.57 117.16 116.35 1k0t n TYR 67 Ca -0.04 0.31 -0.54 0.00 -0.01 0.00 0.00 57.90 57.62 1k0t n TYR 67 Cb 0.05 0.42 -0.12 0.00 -0.02 0.00 0.00 39.34 39.68 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 -3.45 0.84 -3.42 7.72 4.77 -1.26 -1.81 117.00 120.39 1k0t n LEU 68 Ca 0.00 0.52 -0.30 0.00 -0.03 0.00 0.00 56.01 56.20 1k0t n LEU 68 Cb 0.01 -0.96 0.02 0.00 -2.33 0.00 0.00 43.42 40.16 1k0t n LEU 68 CO 0.00 -0.77 -0.24 0.61 -1.33 0.00 0.00 177.39 175.66 1k0t n GLY 69 N 7.15 -0.36 2.11 -0.72 0.00 -1.26 -4.80 105.19 107.31 1k0t n GLY 69 Ca 0.55 0.85 0.00 0.00 0.00 0.00 0.00 46.02 47.42 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 -1.07 1.13 -2.20 4.61 0.00 -0.75 -5.08 120.51 117.15 1k0t n ALA 70 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 1k0t n ALA 70 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.00 4.15 0.00 0.00 -1.05 -1.25 -4.75 118.70 113.80 1k0t s GLU 71 Ca 0.00 1.88 0.00 0.00 -0.15 0.00 0.00 54.97 56.70 1k0t s GLU 71 Cb 0.00 -3.90 0.00 0.00 -0.44 0.00 0.00 34.13 29.79 1k0t s GLU 71 CO 0.00 -0.85 0.79 -2.37 0.95 0.00 0.00 175.26 173.78 1k0t n THR 72 N 5.56 0.00 -0.05 1.83 5.66 -1.26 -4.93 114.28 121.09 1k0t n THR 72 Ca 0.16 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.11 1k0t n THR 72 Cb 0.44 0.35 -0.14 0.00 -1.55 0.00 0.00 70.33 69.43 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 0.00 1.21 0.29 1.09 5.66 -1.26 -2.94 114.28 118.34 1k0t n THR 73 Ca -0.20 -0.77 0.12 0.00 -3.05 0.00 0.00 64.05 60.16 1k0t n THR 73 Cb 0.60 -0.57 0.14 0.00 -1.55 0.00 0.00 70.33 68.95 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 0.00 0.00 -0.02 1.09 -0.00 -2.00 -3.23 114.38 110.22 1k0t h ARG 74 Ca -0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.13 1k0t h ARG 74 Cb 1.90 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.87 1k0t h ARG 74 CO 0.04 0.00 -0.16 0.45 0.00 0.00 0.00 179.97 180.30 1k0t n SER 75 N -2.66 2.15 -0.31 7.04 2.88 -1.26 -3.81 113.62 117.65 1k0t n SER 75 Ca 0.03 -1.57 0.31 0.00 -1.33 0.00 0.00 58.87 56.30 1k0t n SER 75 Cb 0.51 0.21 0.57 0.00 -0.75 0.00 0.00 64.21 64.75 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 0.52 -0.06 0.00 -1.46 2.81 -1.15 -4.69 117.12 113.08 1k0t n MET 76 Ca 0.09 1.34 0.00 0.00 -1.81 0.00 0.00 57.70 57.32 1k0t n MET 76 Cb 0.41 -2.41 0.00 0.00 -0.71 0.00 0.00 33.22 30.51 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 -1.25 1.03 0.55 3.03 0.00 -1.26 -5.08 105.19 102.21 1k0t n GLY 77 Ca 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 0.68 -0.01 0.99 4.77 -1.26 -4.84 117.00 117.33 1k0t n LEU 78 Ca 0.00 0.10 -0.17 0.00 -0.03 0.00 0.00 56.01 55.91 1k0t n LEU 78 Cb 0.00 -0.37 -0.14 0.00 -2.33 0.00 0.00 43.42 40.58 1k0t n LEU 78 CO 0.00 -0.51 -0.78 0.00 -1.33 0.00 0.00 177.39 174.77 1k0t n ALA 79 N -3.16 1.12 0.00 -1.18 0.00 -1.26 -5.18 120.51 110.85 1k0t n ALA 79 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1k0t n ALA 79 Cb 0.11 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1k0t n ALA 79 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98