#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 -0.79 1.43 8.25 -1.26 -3.64 115.22 119.21 1k0t n HIS 2 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 1k0t n HIS 2 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1k0t n HIS 2 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1k0t n SER 3 N 0.00 -1.96 -3.07 0.41 2.88 0.70 -4.44 113.62 108.15 1k0t n SER 3 Ca 0.00 0.47 -0.38 0.00 -1.33 0.00 0.00 58.87 57.62 1k0t n SER 3 Cb 0.00 -0.54 0.02 0.00 -0.75 0.00 0.00 64.21 62.94 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 -0.74 4.28 -1.04 2.46 0.24 -1.26 -4.56 118.33 117.71 1k0t n VAL 4 Ca 0.06 -4.53 -0.35 0.00 -2.04 0.00 0.00 64.34 57.48 1k0t n VAL 4 Cb 0.26 -1.42 0.03 0.00 -1.47 0.00 0.00 33.84 31.24 1k0t n VAL 4 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1k0t n LYS 5 N -0.08 0.00 -1.85 7.34 4.76 -1.26 -4.59 118.16 122.47 1k0t n LYS 5 Ca 0.52 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.53 1k0t n LYS 5 Cb 0.28 -0.95 -0.03 0.00 -1.84 0.00 0.00 35.03 32.50 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 -1.90 3.30 0.07 -0.18 -1.09 -1.26 -4.88 121.20 115.27 1k0t s ILE 6 Ca 0.44 0.32 -0.22 0.00 -2.23 0.00 0.00 60.65 58.96 1k0t s ILE 6 Cb -0.29 -3.39 0.05 0.00 -1.58 0.00 0.00 42.46 37.26 1k0t s ILE 6 CO 0.73 -0.23 0.52 -0.31 -1.23 0.00 0.00 174.94 174.42 1k0t s TYR 7 N 7.15 -0.42 -0.47 3.97 2.02 -1.26 -5.04 117.35 123.30 1k0t s TYR 7 Ca 0.87 0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 57.94 1k0t s TYR 7 Cb -0.27 0.37 0.24 0.00 -0.40 0.00 0.00 41.96 41.89 1k0t s TYR 7 CO 0.34 -0.68 2.21 -0.40 -1.57 0.00 0.00 175.55 175.45 1k0t n ASP 8 N 0.21 6.84 -4.39 2.29 5.75 -1.26 -4.81 116.55 121.17 1k0t n ASP 8 Ca -0.18 -3.32 -0.45 0.00 -0.01 0.00 0.00 54.79 50.83 1k0t n ASP 8 Cb 0.61 -1.08 -0.03 0.00 -1.03 0.00 0.00 41.12 39.59 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 -3.07 5.01 -0.27 2.12 -1.32 -1.26 -4.95 115.64 111.89 1k0t s THR 9 Ca 0.47 -1.65 -0.21 0.00 -1.21 0.00 0.00 61.69 59.09 1k0t s THR 9 Cb 0.35 -4.60 0.08 0.00 -1.51 0.00 0.00 72.50 66.82 1k0t s THR 9 CO -0.09 -1.26 0.72 0.00 -2.21 0.00 0.00 174.62 171.78 1k0t n ILE 11 N 3.37 0.00 0.00 0.00 -0.00 -1.26 -4.88 119.36 116.58 1k0t n ILE 11 Ca -0.17 -0.25 0.00 0.00 -0.00 0.00 0.00 62.75 62.33 1k0t n ILE 11 Cb 0.57 0.53 0.00 0.00 -0.00 0.00 0.00 39.64 40.74 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 1.62 0.79 3.75 3.28 0.00 -1.26 -5.00 105.19 108.37 1k0t n GLY 12 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.68 1.06 0.06 0.00 -2.24 -1.26 -4.86 114.28 103.36 1k0t n THR 14 Ca 0.08 -4.52 -0.23 0.00 -2.27 0.00 0.00 64.05 57.12 1k0t n THR 14 Cb 0.54 -0.42 -0.15 0.00 -2.10 0.00 0.00 70.33 68.21 1k0t n THR 14 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 1k0t h GLN 15 N 2.95 0.38 -0.87 -0.78 3.07 -1.94 -3.29 115.11 114.63 1k0t h GLN 15 Ca 0.08 -0.65 -0.07 0.00 0.09 0.00 0.00 58.65 58.11 1k0t h GLN 15 Cb 0.91 0.24 -0.04 0.00 0.08 0.00 0.00 27.48 28.67 1k0t h GLN 15 CO 0.61 1.31 0.08 0.00 0.09 0.00 0.00 178.83 180.92 1k0t n VAL 17 N 0.13 1.14 0.06 0.00 0.31 -1.24 -4.73 118.33 114.01 1k0t n VAL 17 Ca 0.16 -1.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.17 1k0t n VAL 17 Cb 0.77 0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.90 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 -0.80 0.00 -2.18 5.55 3.00 -1.20 -4.94 116.66 116.10 1k0t n ARG 18 Ca 0.07 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.57 1k0t n ARG 18 Cb 0.54 -0.45 -0.04 0.00 0.00 0.00 0.00 32.46 32.51 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 2.13 0.00 7.54 0.00 -1.26 -4.77 121.76 123.40 1k0t s ALA 19 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1k0t s ALA 19 Cb 0.00 -4.42 0.00 0.00 0.00 0.00 0.00 23.12 18.70 1k0t s ALA 19 CO 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 175.76 171.65 1k0t h PRO 21 N 0.00 -0.20 -0.05 0.00 0.13 -1.86 -3.22 132.00 126.80 1k0t h PRO 21 Ca 0.00 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.16 1k0t h PRO 21 Cb 0.00 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.17 1k0t h PRO 21 CO 0.00 0.16 0.06 -0.07 -0.23 0.00 0.00 178.00 177.92 1k0t h LEU 22 N -0.96 0.00 -2.48 1.56 4.07 -1.97 -3.47 115.31 112.06 1k0t h LEU 22 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1k0t h LEU 22 Cb 0.45 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1k0t h LEU 22 CO 0.04 0.00 -0.39 0.47 -1.08 0.00 0.00 178.44 177.48 1k0t n ASP 23 N -3.84 -6.24 -0.06 -0.43 8.00 -1.22 -5.01 116.55 107.75 1k0t n ASP 23 Ca -0.02 0.44 -0.10 0.00 0.71 0.00 0.00 54.79 55.83 1k0t n ASP 23 Cb 0.15 -4.13 -0.05 0.00 -0.02 0.00 0.00 41.12 37.07 1k0t n ASP 23 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1k0t n VAL 24 N -0.28 0.71 -1.69 2.53 0.24 -1.26 -4.92 118.33 113.66 1k0t n VAL 24 Ca 0.08 -0.25 -0.39 0.00 -2.04 0.00 0.00 64.34 61.74 1k0t n VAL 24 Cb 0.30 -1.14 -0.03 0.00 -1.47 0.00 0.00 33.84 31.50 1k0t n VAL 24 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1k0t s LEU 25 N -5.99 3.41 0.00 1.34 1.02 -1.26 -4.53 118.68 112.67 1k0t s LEU 25 Ca -0.17 1.27 0.00 0.00 0.02 0.00 0.00 54.13 55.25 1k0t s LEU 25 Cb 0.05 -2.95 -0.00 0.00 0.02 0.00 0.00 46.19 43.31 1k0t s LEU 25 CO 0.27 -2.39 0.00 -0.62 0.02 0.00 0.00 176.35 173.63 1k0t n GLU 26 N 8.89 1.11 -3.12 1.70 1.02 0.83 -4.85 120.64 126.22 1k0t n GLU 26 Ca 0.31 -0.02 -0.39 0.00 -0.02 0.00 0.00 57.16 57.03 1k0t n GLU 26 Cb 0.50 0.01 -0.05 0.00 -0.02 0.00 0.00 31.44 31.88 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 -2.01 4.39 0.38 3.49 0.23 -1.26 0.08 119.30 124.60 1k0t s MET 27 Ca 0.00 0.87 0.04 0.00 -1.03 0.00 0.00 55.69 55.58 1k0t s MET 27 Cb 0.00 -3.34 -0.05 0.00 -1.53 0.00 0.00 34.83 29.91 1k0t s MET 27 CO 0.00 0.36 0.05 0.14 -2.03 0.00 0.00 175.02 173.54 1k0t s VAL 28 N -0.23 1.26 -0.24 5.16 -7.23 0.10 -4.87 120.40 114.35 1k0t s VAL 28 Ca 0.34 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.22 1k0t s VAL 28 Cb -0.19 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 1k0t s VAL 28 CO 0.20 0.00 1.32 -2.16 -0.31 0.00 0.00 175.10 174.14 1k0t s PRO 29 N -3.82 4.02 0.25 4.82 0.04 -1.26 -1.81 135.00 137.24 1k0t s PRO 29 Ca 0.30 1.43 0.01 0.00 0.04 0.00 0.00 61.00 62.78 1k0t s PRO 29 Cb 0.07 -3.85 -0.03 0.00 0.04 0.00 0.00 34.50 30.72 1k0t s PRO 29 CO 0.14 -0.99 0.20 -0.46 0.04 0.00 0.00 177.00 175.94 1k0t s TRP 30 N 4.13 1.34 -0.39 0.56 -0.11 -0.39 -4.67 118.94 119.42 1k0t s TRP 30 Ca 0.57 -1.45 0.11 0.00 1.22 0.00 0.00 56.10 56.54 1k0t s TRP 30 Cb -0.19 -0.57 0.33 0.00 -1.50 0.00 0.00 33.47 31.53 1k0t s TRP 30 CO 0.21 -0.75 0.69 -3.47 -4.62 0.00 0.00 176.95 169.01 1k0t n ASP 31 N -0.75 0.90 0.00 5.86 -0.08 -1.26 -3.61 116.55 117.61 1k0t n ASP 31 Ca 0.04 -2.98 0.00 0.00 -1.51 0.00 0.00 54.79 50.34 1k0t n ASP 31 Cb 0.64 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 43.48 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 0.52 0.06 3.76 0.27 0.00 -1.26 -5.02 105.19 103.52 1k0t n GLY 32 Ca 0.24 -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 -1.47 0.00 -0.20 0.00 3.64 -1.94 -0.64 116.57 115.95 1k0t h LYS 34 Ca -0.50 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.77 1k0t h LYS 34 Cb 1.31 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.07 1k0t h LYS 34 CO 0.60 0.06 -0.25 0.00 -2.27 0.00 0.00 179.45 177.58 1k0t n ALA 35 N -2.42 4.01 -4.22 5.00 0.00 -1.26 -4.96 120.51 116.66 1k0t n ALA 35 Ca -0.03 -3.19 -0.33 0.00 0.00 0.00 0.00 53.44 49.89 1k0t n ALA 35 Cb 0.14 -0.58 -0.08 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.12 -0.24 3.11 0.00 0.00 -0.25 -4.88 105.19 101.81 1k0t n GLY 36 Ca 0.27 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.37 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 -7.25 0.22 -0.09 1.61 1.03 -1.24 -1.26 119.66 112.68 1k0t s GLN 37 Ca 0.09 0.85 -0.13 0.00 0.04 0.00 0.00 55.36 56.20 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 0.96 -0.27 0.33 -1.50 -2.54 0.00 0.00 175.29 172.26 1k0t s ILE 38 N 2.44 5.23 -0.61 3.63 1.10 -0.75 -4.63 121.20 127.62 1k0t s ILE 38 Ca -0.00 0.63 -0.27 0.00 -0.51 0.00 0.00 60.65 60.50 1k0t s ILE 38 Cb -0.12 -3.64 0.01 0.00 0.15 0.00 0.00 42.46 38.86 1k0t s ILE 38 CO -0.10 0.49 1.52 0.00 -2.11 0.00 0.00 174.94 174.74 1k0t s ALA 39 N -0.31 2.63 0.18 1.50 0.00 -1.26 -0.72 121.76 123.77 1k0t s ALA 39 Ca 0.20 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1k0t s ALA 39 Cb -0.14 -4.19 -0.01 0.00 0.00 0.00 0.00 23.12 18.78 1k0t s ALA 39 CO 0.08 -3.26 0.18 0.43 0.00 0.00 0.00 175.76 173.18 1k0t n SER 40 N 10.41 -0.47 -4.11 0.00 7.64 0.11 -4.87 113.62 122.33 1k0t n SER 40 Ca 0.13 -2.10 -0.36 0.00 1.01 0.00 0.00 58.87 57.54 1k0t n SER 40 Cb 0.50 1.00 -0.11 0.00 -1.01 0.00 0.00 64.21 64.59 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 -2.19 5.24 -0.07 6.43 0.15 -1.26 -0.12 113.70 121.89 1k0t s SER 41 Ca 0.19 -2.45 -0.14 0.00 0.70 0.00 0.00 55.95 54.25 1k0t s SER 41 Cb 0.01 -1.84 -0.10 0.00 -1.71 0.00 0.00 66.02 62.38 1k0t s SER 41 CO 0.14 -0.46 0.54 1.55 1.20 0.00 0.00 173.24 176.21 1k0t h PRO 42 N 7.53 -0.25 -4.04 5.44 0.13 -1.90 -3.38 132.00 135.52 1k0t h PRO 42 Ca -0.07 0.02 -0.77 0.00 -0.87 0.00 0.00 66.00 64.30 1k0t h PRO 42 Cb 1.00 0.06 -0.23 0.00 0.13 0.00 0.00 31.00 31.95 1k0t h PRO 42 CO 0.71 0.01 0.93 0.54 -0.23 0.00 0.00 178.00 179.97 1k0t n ARG 43 N -4.94 3.52 -0.52 0.86 5.12 -1.26 -4.81 116.66 114.63 1k0t n ARG 43 Ca -0.05 -4.16 -0.10 0.00 -1.93 0.00 0.00 57.85 51.61 1k0t n ARG 43 Cb 0.19 -2.78 0.07 0.00 -1.16 0.00 0.00 32.46 28.78 1k0t n ARG 43 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1k0t n THR 44 N 3.47 1.95 0.29 0.55 -1.04 -1.26 -4.35 114.28 113.89 1k0t n THR 44 Ca 0.30 -0.83 0.19 0.00 -2.04 0.00 0.00 64.05 61.67 1k0t n THR 44 Cb 0.40 -0.85 0.98 0.00 -1.82 0.00 0.00 70.33 69.04 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 0.50 0.00 -3.22 -2.82 4.11 -1.97 -3.34 114.58 107.84 1k0t h GLU 45 Ca 0.25 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 59.18 1k0t h GLU 45 Cb 1.65 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.50 1k0t h GLU 45 CO 0.46 0.00 -0.76 -0.51 0.07 0.00 0.00 179.01 178.27 1k0t s ASP 46 N -5.27 2.87 0.00 3.06 1.11 -1.26 -5.03 116.67 112.16 1k0t s ASP 46 Ca -0.04 -0.88 0.00 0.00 0.18 0.00 0.00 52.55 51.81 1k0t s ASP 46 Cb 0.13 -0.43 0.00 0.00 1.07 0.00 0.00 42.92 43.69 1k0t s ASP 46 CO 0.43 -0.35 0.00 0.00 1.18 0.00 0.00 175.17 176.43 1k0t n VAL 48 N 0.00 3.96 -3.83 0.00 0.24 -1.26 -4.79 118.33 112.64 1k0t n VAL 48 Ca 0.00 -3.91 -0.35 0.00 -2.04 0.00 0.00 64.34 58.04 1k0t n VAL 48 Cb 0.00 -1.53 0.03 0.00 -1.47 0.00 0.00 33.84 30.86 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 0.42 -0.83 3.79 7.63 0.00 -1.26 -4.90 105.19 110.04 1k0t n GLY 49 Ca 0.52 0.38 -0.36 0.00 0.00 0.00 0.00 46.02 46.56 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 -2.51 2.12 0.00 0.00 2.20 -1.26 -4.51 119.74 115.79 1k0t s LYS 51 Ca 0.56 1.08 0.00 0.00 -0.36 0.00 0.00 55.97 57.25 1k0t s LYS 51 Cb -0.18 -4.60 0.00 0.00 -1.51 0.00 0.00 37.83 31.54 1k0t s LYS 51 CO 0.23 -3.37 0.00 0.54 -0.36 0.00 0.00 175.35 172.38 1k0t n ARG 52 N 9.01 0.00 0.00 4.03 5.12 -1.26 -5.01 116.66 128.55 1k0t n ARG 52 Ca 0.36 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.28 1k0t n ARG 52 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 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 0.00 -2.26 0.00 0.00 0.28 -1.26 -4.64 120.64 112.75 1k0t n GLU 54 Ca 0.00 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1k0t n GLU 54 Cb 0.00 -3.89 0.00 0.00 1.43 0.00 0.00 31.44 28.98 1k0t n GLU 54 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1k0t n THR 55 N -2.46 0.00 0.00 3.84 -2.24 -1.24 -2.46 114.28 109.72 1k0t n THR 55 Ca 0.02 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1k0t n THR 55 Cb 0.42 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.72 0.00 0.00 6.98 0.00 -1.26 -2.89 120.51 121.62 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 -0.00 -0.06 0.03 0.00 -0.04 -1.26 -4.50 135.00 129.17 1k0t n PRO 58 Ca 0.00 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1k0t n PRO 58 Cb 0.00 0.00 0.48 0.00 -0.04 0.00 0.00 33.50 33.94 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 -1.66 0.47 -0.02 0.52 -1.04 -1.21 -2.48 114.28 108.86 1k0t n THR 59 Ca 0.00 0.05 0.23 0.00 -2.04 0.00 0.00 64.05 62.30 1k0t n THR 59 Cb 0.00 -0.73 0.63 0.00 -1.82 0.00 0.00 70.33 68.42 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 -2.03 -3.37 116.42 122.34 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 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1k0t h ASP 60 CO 0.00 0.00 0.00 0.33 -1.72 0.00 0.00 179.24 177.85 1k0t n PHE 61 N -3.50 -1.81 -2.72 4.55 -0.00 -1.21 -5.08 117.46 107.70 1k0t n PHE 61 Ca 0.13 0.36 -0.42 0.00 -0.00 0.00 0.00 57.45 57.52 1k0t n PHE 61 Cb 0.97 0.96 -0.03 0.00 -0.00 0.00 0.00 39.48 41.38 1k0t n PHE 61 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1k0t s LEU 62 N -5.91 4.17 -0.25 -2.13 2.96 -1.04 -4.83 118.68 111.66 1k0t s LEU 62 Ca 0.00 1.39 0.09 0.00 -0.22 0.00 0.00 54.13 55.39 1k0t s LEU 62 Cb 0.00 -3.48 0.29 0.00 0.50 0.00 0.00 46.19 43.49 1k0t s LEU 62 CO 0.00 -0.53 1.23 -1.54 -1.32 0.00 0.00 176.35 174.20 1k0t n SER 63 N 5.58 -1.07 0.00 3.68 3.41 -1.26 -3.31 113.62 120.65 1k0t n SER 63 Ca 0.09 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 1k0t n SER 63 Cb 0.48 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 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 -1.06 0.00 -2.93 -1.33 5.41 -1.26 -5.04 119.36 113.15 1k0t n ILE 64 Ca -0.13 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.21 1k0t n ILE 64 Cb 0.77 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.65 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 0.40 4.25 -0.10 0.38 3.00 -1.26 -5.03 118.95 120.60 1k0t s ARG 65 Ca 0.00 0.92 -0.07 0.00 0.00 0.00 0.00 55.73 56.59 1k0t s ARG 65 Cb 0.00 -3.59 0.04 0.00 0.00 0.00 0.00 34.95 31.39 1k0t s ARG 65 CO 0.00 -0.37 0.24 0.14 0.00 0.00 0.00 175.30 175.32 1k0t s VAL 66 N 2.30 -0.02 -0.24 3.52 -7.23 -1.26 -4.57 120.40 112.89 1k0t s VAL 66 Ca 0.36 0.09 -0.08 0.00 -1.81 0.00 0.00 61.98 60.53 1k0t s VAL 66 Cb -0.16 -0.37 0.11 0.00 0.56 0.00 0.00 36.38 36.52 1k0t s VAL 66 CO 0.11 0.03 0.51 -0.31 -0.31 0.00 0.00 175.10 175.13 1k0t s TYR 67 N 0.79 -1.02 -1.54 2.82 2.02 -1.26 -4.78 117.35 114.37 1k0t s TYR 67 Ca -0.05 1.82 -0.10 0.00 -0.37 0.00 0.00 57.07 58.37 1k0t s TYR 67 Cb -0.07 0.49 -0.03 0.00 -0.40 0.00 0.00 41.96 41.96 1k0t s TYR 67 CO -0.05 -0.56 2.72 1.28 -1.57 0.00 0.00 175.55 177.37 1k0t n LEU 68 N 5.41 8.30 -4.06 -1.29 4.77 -1.26 -0.22 117.00 128.65 1k0t n LEU 68 Ca -0.10 -4.43 -0.42 0.00 -0.03 0.00 0.00 56.01 51.03 1k0t n LEU 68 Cb 0.49 -1.54 0.02 0.00 -2.33 0.00 0.00 43.42 40.06 1k0t n LEU 68 CO -0.01 1.90 -0.15 0.61 -1.33 0.00 0.00 177.39 178.40 1k0t n GLY 69 N 3.34 -0.73 0.57 -0.72 0.00 -1.26 -4.85 105.19 101.53 1k0t n GLY 69 Ca 0.71 0.29 -0.14 0.00 0.00 0.00 0.00 46.02 46.88 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 -4.64 2.08 -0.03 4.61 0.00 -1.26 -4.92 120.51 116.35 1k0t n ALA 70 Ca -0.10 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 52.76 1k0t n ALA 70 Cb 0.50 0.31 -0.01 0.00 0.00 0.00 0.00 19.45 20.24 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 -3.65 0.19 -4.05 0.00 4.07 -1.26 -5.00 120.64 110.94 1k0t n GLU 71 Ca -0.26 0.08 -0.31 0.00 -0.06 0.00 0.00 57.16 56.61 1k0t n GLU 71 Cb 0.67 -0.82 -0.03 0.00 -0.06 0.00 0.00 31.44 31.20 1k0t n GLU 71 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1k0t n THR 72 N -3.23 -2.73 0.00 6.31 -2.24 -1.26 -4.76 114.28 106.36 1k0t n THR 72 Ca -0.05 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1k0t n THR 72 Cb 0.19 -2.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.11 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 -4.52 0.00 -0.01 4.28 5.66 -1.26 -4.65 114.28 113.78 1k0t n THR 73 Ca -0.27 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 60.82 1k0t n THR 73 Cb 0.66 -0.21 -0.14 0.00 -1.55 0.00 0.00 70.33 69.09 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 -2.02 0.56 0.00 1.09 1.85 -1.26 -4.34 116.66 112.54 1k0t n ARG 74 Ca 0.00 -0.16 0.06 0.00 -1.00 0.00 0.00 57.85 56.74 1k0t n ARG 74 Cb 0.00 -1.43 -0.02 0.00 -1.05 0.00 0.00 32.46 29.96 1k0t n ARG 74 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1k0t n SER 75 N -2.14 1.12 -0.10 2.89 3.41 -1.26 -3.80 113.62 113.74 1k0t n SER 75 Ca -0.04 -1.06 -0.05 0.00 -0.26 0.00 0.00 58.87 57.46 1k0t n SER 75 Cb 0.49 0.61 0.01 0.00 -0.26 0.00 0.00 64.21 65.06 1k0t n SER 75 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1k0t h MET 76 N 0.97 0.04 0.00 4.33 2.86 -1.83 -3.46 114.93 117.85 1k0t h MET 76 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1k0t h MET 76 Cb 0.37 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1k0t h MET 76 CO 0.00 0.03 0.00 0.41 1.06 0.00 0.00 176.91 178.41 1k0t n GLY 77 N -1.27 0.00 0.52 8.32 0.00 -1.26 -5.02 105.19 106.48 1k0t n GLY 77 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.22 0.07 0.99 4.77 -1.26 -4.84 117.00 116.95 1k0t n LEU 78 Ca 0.00 0.03 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 1k0t n LEU 78 Cb 0.00 -0.29 -0.15 0.00 -2.33 0.00 0.00 43.42 40.65 1k0t n LEU 78 CO 0.00 -0.50 -0.52 0.00 -1.33 0.00 0.00 177.39 175.04 1k0t h ALA 79 N -0.91 0.21 0.00 -1.18 0.00 -1.86 -3.53 119.26 111.99 1k0t h ALA 79 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1k0t h ALA 79 Cb 0.07 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1k0t h ALA 79 CO 0.00 1.08 0.00 2.48 0.00 0.00 0.00 179.25 182.81