#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 0.00 -1.55 1.43 -0.00 -1.26 -4.90 115.22 108.94 1k0t n HIS 2 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.79 1k0t n HIS 2 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 1k0t n HIS 2 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1k0t n SER 3 N 0.00 -8.36 -2.74 4.39 3.41 -1.26 -4.76 113.62 104.30 1k0t n SER 3 Ca 0.00 1.75 -0.10 0.00 -0.26 0.00 0.00 58.87 60.26 1k0t n SER 3 Cb 0.00 -5.14 0.05 0.00 -0.26 0.00 0.00 64.21 58.86 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 -3.34 0.54 -0.08 -3.33 3.14 -1.26 -4.66 118.33 109.35 1k0t n VAL 4 Ca -0.04 -2.77 -0.04 0.00 -2.96 0.00 0.00 64.34 58.52 1k0t n VAL 4 Cb 0.58 0.68 0.04 0.00 -1.06 0.00 0.00 33.84 34.08 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 -0.13 -1.24 -2.38 1.45 4.76 -1.26 -4.70 118.16 114.65 1k0t n LYS 5 Ca 0.08 -0.21 -0.41 0.00 -2.87 0.00 0.00 58.31 54.90 1k0t n LYS 5 Cb 0.80 -0.33 0.01 0.00 -1.84 0.00 0.00 35.03 33.67 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 -3.17 5.50 -4.06 -0.18 2.08 -1.26 -4.63 119.36 113.65 1k0t n ILE 6 Ca 0.02 -5.14 -0.23 0.00 0.56 0.00 0.00 62.75 57.96 1k0t n ILE 6 Cb 0.09 -1.90 -0.04 0.00 -0.75 0.00 0.00 39.64 37.03 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 -2.39 3.24 -0.26 1.39 2.02 -1.26 -4.99 117.35 115.09 1k0t s TYR 7 Ca 0.44 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 57.12 1k0t s TYR 7 Cb 0.16 -1.49 0.30 0.00 -0.40 0.00 0.00 41.96 40.54 1k0t s TYR 7 CO -0.08 0.50 1.35 -0.40 -1.57 0.00 0.00 175.55 175.36 1k0t n ASP 8 N -1.03 3.30 -4.56 2.29 5.75 -1.26 -4.82 116.55 116.21 1k0t n ASP 8 Ca -0.08 -2.66 -0.29 0.00 -0.01 0.00 0.00 54.79 51.75 1k0t n ASP 8 Cb 0.57 -0.64 -0.05 0.00 -1.03 0.00 0.00 41.12 39.97 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 -1.49 3.52 -0.20 2.12 -1.32 -1.26 -4.85 115.64 112.16 1k0t s THR 9 Ca 0.25 -0.48 -0.11 0.00 -1.21 0.00 0.00 61.69 60.14 1k0t s THR 9 Cb 0.21 -4.18 0.06 0.00 -1.51 0.00 0.00 72.50 67.08 1k0t s THR 9 CO 0.05 -1.07 0.48 0.00 -2.21 0.00 0.00 174.62 171.87 1k0t n ILE 11 N 4.25 0.00 0.00 0.00 -0.00 -1.26 -4.96 119.36 117.39 1k0t n ILE 11 Ca -0.22 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 62.20 1k0t n ILE 11 Cb 0.56 1.03 0.00 0.00 -0.00 0.00 0.00 39.64 41.24 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 1.10 1.92 3.80 3.28 0.00 -1.26 -5.14 105.19 108.89 1k0t n GLY 12 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.29 0.66 -0.08 0.00 5.66 -1.26 -4.86 114.28 113.11 1k0t n THR 14 Ca -0.02 -4.55 -0.14 0.00 -3.05 0.00 0.00 64.05 56.29 1k0t n THR 14 Cb 0.61 -2.01 -0.06 0.00 -1.55 0.00 0.00 70.33 67.32 1k0t n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1k0t n GLN 15 N 1.15 0.34 -0.10 1.09 10.64 -1.26 -4.45 117.38 124.79 1k0t n GLN 15 Ca 0.25 0.12 0.02 0.00 -1.83 0.00 0.00 57.00 55.56 1k0t n GLN 15 Cb 0.48 -1.15 0.06 0.00 -0.86 0.00 0.00 30.24 28.77 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 -0.03 1.17 0.00 0.00 0.31 -1.26 -4.69 118.33 113.83 1k0t n VAL 17 Ca 0.04 -1.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.14 1k0t n VAL 17 Cb 0.24 0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 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 -0.61 0.00 -2.17 5.55 3.00 -1.08 -4.88 116.66 116.47 1k0t n ARG 18 Ca 0.04 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.53 1k0t n ARG 18 Cb 0.34 -0.48 -0.04 0.00 0.00 0.00 0.00 32.46 32.28 1k0t n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k0t n ALA 19 N -2.88 2.70 -3.15 7.54 0.00 -1.20 -4.71 120.51 118.81 1k0t n ALA 19 Ca 0.00 -3.37 0.05 0.00 0.00 0.00 0.00 53.44 50.11 1k0t n ALA 19 Cb 0.43 -3.54 -0.01 0.00 0.00 0.00 0.00 19.45 16.33 1k0t n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k0t h PRO 21 N 7.89 0.60 0.00 0.00 0.13 -1.98 -3.41 132.00 135.22 1k0t h PRO 21 Ca -0.13 -0.59 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1k0t h PRO 21 Cb 1.17 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1k0t h PRO 21 CO 0.08 1.20 0.00 1.28 -0.23 0.00 0.00 178.00 180.34 1k0t n LEU 22 N -3.84 0.00 0.00 1.56 4.32 -1.26 -5.06 117.00 112.72 1k0t n LEU 22 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1k0t n LEU 22 Cb 0.82 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.62 1k0t n LEU 22 CO 0.53 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 177.17 1k0t n ASP 23 N 0.00 0.00 0.02 -1.43 8.00 -1.26 -5.10 116.55 116.78 1k0t n ASP 23 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1k0t n ASP 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1k0t n ASP 23 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1k0t n VAL 24 N 0.00 0.56 -1.53 2.53 0.31 -1.26 -4.84 118.33 114.10 1k0t n VAL 24 Ca 0.00 0.18 -0.23 0.00 -0.01 0.00 0.00 64.34 64.29 1k0t n VAL 24 Cb 0.00 -1.26 -0.13 0.00 -0.91 0.00 0.00 33.84 31.54 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 -2.95 0.53 0.00 7.52 4.77 -1.26 -4.33 117.00 121.27 1k0t n LEU 25 Ca 0.00 -0.83 -0.07 0.00 -0.03 0.00 0.00 56.01 55.09 1k0t n LEU 25 Cb 0.00 -1.16 -0.01 0.00 -2.33 0.00 0.00 43.42 39.91 1k0t n LEU 25 CO 0.00 -1.84 -0.05 -0.62 -1.33 0.00 0.00 177.39 173.55 1k0t n GLU 26 N 7.63 1.48 -2.90 3.23 -0.58 -0.24 -4.81 120.64 124.46 1k0t n GLU 26 Ca 0.55 -0.79 -0.41 0.00 -0.42 0.00 0.00 57.16 56.10 1k0t n GLU 26 Cb 0.29 0.27 -0.04 0.00 -0.57 0.00 0.00 31.44 31.39 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 -2.38 4.51 0.33 3.49 0.23 -1.26 0.56 119.30 124.78 1k0t s MET 27 Ca 0.01 1.14 0.09 0.00 -1.03 0.00 0.00 55.69 55.90 1k0t s MET 27 Cb 0.00 -3.43 -0.06 0.00 -1.53 0.00 0.00 34.83 29.81 1k0t s MET 27 CO 0.01 0.08 -0.08 0.14 -2.03 0.00 0.00 175.02 173.14 1k0t s VAL 28 N 0.64 2.07 -0.30 5.16 -7.23 0.72 -4.84 120.40 116.62 1k0t s VAL 28 Ca 0.43 -2.17 -0.29 0.00 -1.81 0.00 0.00 61.98 58.14 1k0t s VAL 28 Cb -0.20 -2.63 -0.00 0.00 0.56 0.00 0.00 36.38 34.11 1k0t s VAL 28 CO 0.23 -0.20 1.35 -2.16 -0.31 0.00 0.00 175.10 174.01 1k0t s PRO 29 N -3.65 3.87 0.00 4.82 0.04 -1.26 -1.09 135.00 137.73 1k0t s PRO 29 Ca 0.32 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1k0t s PRO 29 Cb 0.03 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1k0t s PRO 29 CO 0.16 -1.19 0.00 1.87 0.04 0.00 0.00 177.00 177.88 1k0t n TRP 30 N 7.84 0.00 0.00 0.56 -0.00 0.13 -4.76 117.44 121.21 1k0t n TRP 30 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.65 1k0t n TRP 30 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.78 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 0.00 5.87 -0.08 -1.14 -4.73 116.55 116.47 1k0t n ASP 31 Ca 0.00 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.30 1k0t n ASP 31 Cb 0.00 0.00 0.08 0.00 2.34 0.00 0.00 41.12 43.54 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 0.00 -0.57 3.85 0.27 0.00 -1.26 -3.94 105.19 103.54 1k0t n GLY 32 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 1.20 0.00 -0.03 0.00 1.57 -1.86 0.29 116.57 117.74 1k0t h LYS 34 Ca -0.47 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1k0t h LYS 34 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1k0t h LYS 34 CO 0.62 0.00 -0.31 0.00 -0.57 0.00 0.00 179.45 179.19 1k0t n ALA 35 N -2.39 3.30 -3.13 3.86 0.00 -1.26 -4.94 120.51 115.94 1k0t n ALA 35 Ca 0.03 -3.08 -0.19 0.00 0.00 0.00 0.00 53.44 50.20 1k0t n ALA 35 Cb 0.39 -0.40 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.20 -0.49 2.81 0.00 0.00 0.10 -4.89 105.19 101.53 1k0t n GLY 36 Ca 0.19 0.06 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 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 -5.75 0.02 0.02 1.61 1.03 -1.26 0.20 119.66 115.53 1k0t s GLN 37 Ca 0.29 0.53 -0.04 0.00 0.04 0.00 0.00 55.36 56.19 1k0t s GLN 37 Cb -0.16 -0.32 -0.04 0.00 0.03 0.00 0.00 33.01 32.52 1k0t s GLN 37 CO 0.36 -0.31 0.23 -1.50 -2.54 0.00 0.00 175.29 171.53 1k0t s ILE 38 N 2.28 5.36 -0.40 3.63 1.10 -0.25 -4.72 121.20 128.20 1k0t s ILE 38 Ca 0.03 -0.07 -0.29 0.00 -0.51 0.00 0.00 60.65 59.82 1k0t s ILE 38 Cb -0.12 -3.57 0.02 0.00 0.15 0.00 0.00 42.46 38.94 1k0t s ILE 38 CO -0.05 0.29 1.26 0.00 -2.11 0.00 0.00 174.94 174.32 1k0t s ALA 39 N -1.37 3.19 0.16 1.50 0.00 -1.26 -0.20 121.76 123.77 1k0t s ALA 39 Ca 0.30 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 1k0t s ALA 39 Cb -0.13 -3.87 0.04 0.00 0.00 0.00 0.00 23.12 19.16 1k0t s ALA 39 CO 0.20 -2.13 0.53 0.43 0.00 0.00 0.00 175.76 174.78 1k0t n SER 40 N 8.05 -1.13 -4.71 0.00 7.64 0.19 -4.92 113.62 118.75 1k0t n SER 40 Ca 0.14 -1.69 -0.42 0.00 1.01 0.00 0.00 58.87 57.92 1k0t n SER 40 Cb 0.48 1.86 -0.03 0.00 -1.01 0.00 0.00 64.21 65.51 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 -2.30 7.10 -0.07 6.43 0.01 -1.26 -1.08 113.70 122.52 1k0t s SER 41 Ca 0.11 1.95 -0.18 0.00 1.31 0.00 0.00 55.95 59.14 1k0t s SER 41 Cb -0.02 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.50 1k0t s SER 41 CO 0.05 -0.47 0.68 1.55 0.41 0.00 0.00 173.24 175.45 1k0t h PRO 42 N 6.93 -0.17 0.00 12.44 0.13 -1.85 -3.43 132.00 146.04 1k0t h PRO 42 Ca -0.40 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1k0t h PRO 42 Cb 1.21 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1k0t h PRO 42 CO 0.82 0.24 -0.15 0.54 -0.23 0.00 0.00 178.00 179.21 1k0t n ARG 43 N -4.87 0.00 -1.68 0.86 1.74 -1.26 -4.98 116.66 106.46 1k0t n ARG 43 Ca -0.07 -0.41 -0.01 0.00 -0.77 0.00 0.00 57.85 56.59 1k0t n ARG 43 Cb 0.24 -0.26 -0.00 0.00 -1.02 0.00 0.00 32.46 31.42 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 -0.03 -0.19 0.55 -1.04 -1.26 -4.68 114.28 107.63 1k0t n THR 44 Ca 0.00 0.00 0.22 0.00 -2.04 0.00 0.00 64.05 62.23 1k0t n THR 44 Cb 0.56 -0.16 0.60 0.00 -1.82 0.00 0.00 70.33 69.52 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 0.22 0.00 -2.82 4.11 -1.96 -3.41 114.58 110.71 1k0t h GLU 45 Ca -0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1k0t h GLU 45 Cb 0.50 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1k0t h GLU 45 CO 0.04 0.14 0.00 -0.25 0.07 0.00 0.00 179.01 179.01 1k0t n ASP 46 N -4.41 0.27 -0.26 3.06 9.92 -1.26 -5.05 116.55 118.80 1k0t n ASP 46 Ca 0.18 -0.53 0.01 0.00 -0.53 0.00 0.00 54.79 53.92 1k0t n ASP 46 Cb 0.78 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.25 1k0t n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k0t n VAL 48 N -1.92 0.02 -1.24 0.00 3.14 -1.26 -5.03 118.33 112.03 1k0t n VAL 48 Ca -0.01 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1k0t n VAL 48 Cb 0.09 0.64 0.00 0.00 -1.06 0.00 0.00 33.84 33.51 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 -0.02 -0.28 2.97 7.55 0.00 -1.26 -5.08 105.19 109.06 1k0t n GLY 49 Ca -0.20 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 2.46 0.15 0.00 1.02 -1.26 -4.29 119.74 119.26 1k0t s LYS 51 Ca -0.02 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.16 1k0t s LYS 51 Cb -0.17 -4.78 0.00 0.00 -0.52 0.00 0.00 37.83 32.36 1k0t s LYS 51 CO -0.08 -3.25 0.00 0.54 -0.92 0.00 0.00 175.35 171.64 1k0t n ARG 52 N 8.98 0.00 -0.92 1.68 5.12 -1.26 -4.91 116.66 125.34 1k0t n ARG 52 Ca 0.34 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.95 1k0t n ARG 52 Cb 0.49 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.76 1k0t n ARG 52 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1k0t n GLU 54 N 5.38 1.76 0.00 0.00 2.13 -1.26 -4.29 120.64 124.36 1k0t n GLU 54 Ca 0.46 -1.28 0.00 0.00 0.66 0.00 0.00 57.16 57.01 1k0t n GLU 54 Cb 0.25 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 30.33 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 1.01 0.00 0.00 6.31 -2.24 -1.26 -4.92 114.28 113.18 1k0t n THR 55 Ca 0.28 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 1k0t n THR 55 Cb 0.60 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.08 0.00 0.00 6.98 0.00 -1.26 -4.32 120.51 120.83 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 -0.47 0.75 -0.08 0.00 -0.04 -1.26 -4.62 135.00 129.28 1k0t n PRO 58 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1k0t n PRO 58 Cb 0.00 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 -0.87 0.00 -0.33 0.52 -1.04 -1.26 -4.84 114.28 106.45 1k0t n THR 59 Ca 0.13 0.00 0.36 0.00 -2.04 0.00 0.00 64.05 62.50 1k0t n THR 59 Cb 0.06 0.00 0.65 0.00 -1.82 0.00 0.00 70.33 69.23 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 -2.01 -3.28 116.42 122.44 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 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 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 -3.68 0.00 -1.63 4.55 3.01 -1.26 -5.00 117.46 113.44 1k0t n PHE 61 Ca 0.27 0.00 -0.64 0.00 1.01 0.00 0.00 57.45 58.10 1k0t n PHE 61 Cb 1.49 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.87 1k0t n PHE 61 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 1k0t n LEU 62 N -0.50 0.67 -3.69 4.37 -0.00 -1.24 -4.76 117.00 111.85 1k0t n LEU 62 Ca 0.00 1.17 -0.41 0.00 -0.00 0.00 0.00 56.01 56.77 1k0t n LEU 62 Cb 0.00 -0.90 -0.00 0.00 -0.00 0.00 0.00 43.42 42.51 1k0t n LEU 62 CO 0.00 -1.32 2.40 -1.20 -0.00 0.00 0.00 177.39 177.27 1k0t n SER 63 N 2.86 5.81 -1.88 1.45 7.64 -1.26 -4.65 113.62 123.59 1k0t n SER 63 Ca 0.26 -2.98 -0.07 0.00 1.01 0.00 0.00 58.87 57.09 1k0t n SER 63 Cb 0.01 -1.51 0.01 0.00 -1.01 0.00 0.00 64.21 61.71 1k0t n SER 63 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1k0t n ILE 64 N 3.48 -1.22 0.07 0.44 -5.35 -1.26 -4.83 119.36 110.70 1k0t n ILE 64 Ca 0.52 0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 63.03 1k0t n ILE 64 Cb 0.33 -1.45 -0.13 0.00 -1.74 0.00 0.00 39.64 36.65 1k0t n ILE 64 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1k0t h ARG 65 N 1.72 0.16 -4.27 6.28 1.12 -1.87 -3.50 114.38 114.02 1k0t h ARG 65 Ca -0.10 -0.27 0.00 0.00 -1.11 0.00 0.00 59.98 58.51 1k0t h ARG 65 Cb 0.53 0.10 -0.06 0.00 -0.01 0.00 0.00 29.97 30.52 1k0t h ARG 65 CO 0.04 1.07 -1.01 0.28 -3.11 0.00 0.00 179.97 177.24 1k0t n VAL 66 N -3.42-10.30 0.03 0.20 0.31 -1.26 -5.04 118.33 98.85 1k0t n VAL 66 Ca -0.08 2.14 0.00 0.00 -0.01 0.00 0.00 64.34 66.39 1k0t n VAL 66 Cb 1.00 -5.57 0.00 0.00 -0.91 0.00 0.00 33.84 28.36 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 1.27 -1.37 -1.52 3.52 4.02 -1.26 -4.73 117.16 117.09 1k0t n TYR 67 Ca -0.20 0.13 -0.52 0.00 -0.01 0.00 0.00 57.90 57.30 1k0t n TYR 67 Cb 0.31 0.72 -0.07 0.00 -0.02 0.00 0.00 39.34 40.28 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 -2.64 2.29 -4.05 7.72 4.77 -1.26 -1.76 117.00 122.08 1k0t n LEU 68 Ca 0.00 0.61 -0.37 0.00 -0.03 0.00 0.00 56.01 56.22 1k0t n LEU 68 Cb 0.00 -1.24 -0.01 0.00 -2.33 0.00 0.00 43.42 39.84 1k0t n LEU 68 CO 0.00 -0.59 -0.21 0.61 -1.33 0.00 0.00 177.39 175.86 1k0t n GLY 69 N 5.88 -0.56 1.39 -0.72 0.00 -1.26 -4.77 105.19 105.16 1k0t n GLY 69 Ca 0.37 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -4.40 3.00 -0.89 4.61 0.00 -0.72 -5.07 120.51 117.04 1k0t n ALA 70 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1k0t n ALA 70 Cb 0.51 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -3.07 0.00 -4.44 0.00 0.00 -1.25 -4.99 120.64 106.90 1k0t n GLU 71 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 1k0t n GLU 71 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.35 1k0t n GLU 71 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1k0t n THR 72 N -1.17 -0.37 0.00 6.31 -2.24 -1.26 -4.73 114.28 110.82 1k0t n THR 72 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1k0t n THR 72 Cb 0.00 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 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 -4.22 0.00 -0.06 4.28 5.66 -1.26 -4.16 114.28 114.52 1k0t n THR 73 Ca -0.05 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.93 1k0t n THR 73 Cb 0.54 -0.53 -0.14 0.00 -1.55 0.00 0.00 70.33 68.65 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 -2.27 0.95 -0.04 1.09 1.85 -1.26 -4.42 116.66 112.56 1k0t n ARG 74 Ca 0.00 -0.07 0.04 0.00 -1.00 0.00 0.00 57.85 56.82 1k0t n ARG 74 Cb 0.44 -1.44 0.06 0.00 -1.05 0.00 0.00 32.46 30.47 1k0t n ARG 74 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1k0t n SER 75 N -2.46 2.19 -0.34 2.89 2.88 -1.26 -4.61 113.62 112.91 1k0t n SER 75 Ca -0.19 -2.42 -0.06 0.00 -1.33 0.00 0.00 58.87 54.88 1k0t n SER 75 Cb 0.85 -0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 64.10 1k0t n SER 75 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1k0t n MET 76 N -0.81 -0.29 0.00 -1.46 0.00 -1.26 -4.80 117.12 108.49 1k0t n MET 76 Ca 0.07 1.27 0.00 0.00 0.00 0.00 0.00 57.70 59.04 1k0t n MET 76 Cb 0.41 -1.87 0.00 0.00 0.00 0.00 0.00 33.22 31.75 1k0t n MET 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1k0t n GLY 77 N -1.29 1.74 0.73 3.17 0.00 -1.26 -4.98 105.19 103.30 1k0t n GLY 77 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 0.79 0.01 0.99 4.77 -1.26 -4.83 117.00 117.47 1k0t n LEU 78 Ca 0.00 0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 1k0t n LEU 78 Cb 0.00 -0.33 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 1k0t n LEU 78 CO 0.00 -0.56 -0.53 0.00 -1.33 0.00 0.00 177.39 174.97 1k0t h ALA 79 N -0.43 0.57 0.00 -1.18 0.00 -1.96 -3.55 119.26 112.71 1k0t h ALA 79 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1k0t h ALA 79 Cb 0.17 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1k0t h ALA 79 CO 0.00 1.41 0.00 2.48 0.00 0.00 0.00 179.25 183.14