#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 -0.94 -1.66 7.33 -0.00 -1.26 -4.69 115.22 114.00 1k0t n HIS 2 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 1k0t n HIS 2 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 29.99 30.06 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 -0.89 -8.92 -2.81 0.41 3.41 -1.26 -4.70 113.62 98.86 1k0t n SER 3 Ca -0.01 1.60 -0.00 0.00 -0.26 0.00 0.00 58.87 60.20 1k0t n SER 3 Cb 0.05 -5.21 0.06 0.00 -0.26 0.00 0.00 64.21 58.85 1k0t n SER 3 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1k0t n VAL 4 N -1.68 1.07 -1.02 -3.33 0.24 -1.26 -4.37 118.33 107.98 1k0t n VAL 4 Ca 0.00 -2.62 -0.36 0.00 -2.04 0.00 0.00 64.34 59.31 1k0t n VAL 4 Cb 0.22 1.25 0.05 0.00 -1.47 0.00 0.00 33.84 33.89 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 -0.74 -0.02 -2.72 7.34 4.76 -1.26 -4.76 118.16 120.76 1k0t n LYS 5 Ca 0.03 -0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.05 1k0t n LYS 5 Cb 0.81 -1.11 -0.03 0.00 -1.84 0.00 0.00 35.03 32.87 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 -2.04 4.19 0.22 -0.18 -1.09 -1.26 -4.94 121.20 116.11 1k0t s ILE 6 Ca 0.44 -0.74 0.06 0.00 -2.23 0.00 0.00 60.65 58.18 1k0t s ILE 6 Cb -0.22 -4.89 -0.05 0.00 -1.58 0.00 0.00 42.46 35.71 1k0t s ILE 6 CO 0.79 -1.72 -0.08 -0.31 -1.23 0.00 0.00 174.94 172.39 1k0t s TYR 7 N 4.28 1.66 -0.27 3.97 1.51 -1.26 -5.02 117.35 122.20 1k0t s TYR 7 Ca 0.36 -0.73 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1k0t s TYR 7 Cb -0.06 -0.88 0.33 0.00 -0.11 0.00 0.00 41.96 41.24 1k0t s TYR 7 CO -0.02 0.18 1.63 -0.40 -1.11 0.00 0.00 175.55 175.83 1k0t n ASP 8 N -0.41 4.26 -4.46 2.29 5.75 -1.26 -4.82 116.55 117.90 1k0t n ASP 8 Ca -0.07 -2.94 -0.43 0.00 -0.01 0.00 0.00 54.79 51.34 1k0t n ASP 8 Cb 0.62 -0.78 -0.03 0.00 -1.03 0.00 0.00 41.12 39.90 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 -1.98 4.44 -0.21 2.12 -1.32 -1.26 -4.95 115.64 112.48 1k0t s THR 9 Ca 0.32 -0.77 -0.14 0.00 -1.21 0.00 0.00 61.69 59.89 1k0t s THR 9 Cb 0.26 -4.73 0.06 0.00 -1.51 0.00 0.00 72.50 66.59 1k0t s THR 9 CO 0.04 -1.49 0.52 0.00 -2.21 0.00 0.00 174.62 171.49 1k0t n ILE 11 N 3.73 0.16 0.00 0.00 -6.64 -1.26 -4.99 119.36 110.36 1k0t n ILE 11 Ca -0.19 -0.24 0.00 0.00 -1.77 0.00 0.00 62.75 60.55 1k0t n ILE 11 Cb 0.57 -0.02 0.00 0.00 -1.44 0.00 0.00 39.64 38.74 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 2.16 0.94 3.77 3.28 0.00 -1.26 -5.13 105.19 108.96 1k0t n GLY 12 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.82 4.49 -4.13 0.00 5.66 -1.26 -4.88 114.28 113.33 1k0t n THR 14 Ca -0.08 -4.48 -0.15 0.00 -3.05 0.00 0.00 64.05 56.29 1k0t n THR 14 Cb 0.57 -1.53 -0.13 0.00 -1.55 0.00 0.00 70.33 67.69 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 -3.18 0.56 0.00 1.09 -2.07 -1.26 -4.63 119.66 110.16 1k0t s GLN 15 Ca 0.50 -0.59 0.00 0.00 -1.82 0.00 0.00 55.36 53.45 1k0t s GLN 15 Cb 0.32 -0.43 0.00 0.00 -1.09 0.00 0.00 33.01 31.81 1k0t s GLN 15 CO -0.25 0.10 0.00 0.00 -1.32 0.00 0.00 175.29 173.82 1k0t n VAL 17 N 0.00 1.95 0.11 0.00 0.31 -1.26 -3.77 118.33 115.66 1k0t n VAL 17 Ca 0.00 -0.98 0.00 0.00 -0.01 0.00 0.00 64.34 63.35 1k0t n VAL 17 Cb 0.00 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 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 0.05 0.00 -0.14 5.55 3.00 -1.26 -4.86 116.66 119.00 1k0t n ARG 18 Ca 0.24 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 58.04 1k0t n ARG 18 Cb 0.98 -0.19 0.02 0.00 0.00 0.00 0.00 32.46 33.27 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 0.14 -0.54 7.54 0.00 -1.84 -3.40 119.26 121.16 1k0t h ALA 19 Ca 0.00 0.16 -0.78 0.00 0.00 0.00 0.00 54.91 54.29 1k0t h ALA 19 Cb 0.02 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1k0t h ALA 19 CO 0.00 -0.55 1.13 0.00 0.00 0.00 0.00 179.25 179.83 1k0t h PRO 21 N 8.22 -0.31 -1.51 0.00 0.13 -1.80 -3.22 132.00 133.51 1k0t h PRO 21 Ca -0.24 0.02 0.44 0.00 -0.87 0.00 0.00 66.00 65.35 1k0t h PRO 21 Cb 1.39 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.52 1k0t h PRO 21 CO 1.04 -0.15 1.13 -0.07 -0.23 0.00 0.00 178.00 179.72 1k0t h LEU 22 N -1.07 0.00 -1.76 1.56 4.07 -1.96 -3.44 115.31 112.71 1k0t h LEU 22 Ca -0.03 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.87 1k0t h LEU 22 Cb 0.30 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.06 1k0t h LEU 22 CO 0.05 0.00 -0.12 -0.67 -1.08 0.00 0.00 178.44 176.62 1k0t n ASP 23 N -3.98 -2.14 -0.02 -0.43 -0.08 -1.22 -4.99 116.55 103.70 1k0t n ASP 23 Ca 0.33 -0.10 -0.16 0.00 -1.51 0.00 0.00 54.79 53.35 1k0t n ASP 23 Cb 1.60 -1.26 -0.13 0.00 2.34 0.00 0.00 41.12 43.67 1k0t n ASP 23 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1k0t h VAL 24 N -0.34 1.62 -2.08 5.18 2.07 -1.85 -3.42 116.25 117.43 1k0t h VAL 24 Ca -0.10 -2.28 -0.53 0.00 0.82 0.00 0.00 66.70 64.61 1k0t h VAL 24 Cb 1.06 3.12 -0.01 0.00 -1.52 0.00 0.00 31.29 33.94 1k0t h VAL 24 CO 0.08 0.62 1.44 -0.76 0.02 0.00 0.00 177.57 178.98 1k0t s LEU 25 N -8.20 3.42 0.00 2.57 1.02 -1.26 -4.38 118.68 111.84 1k0t s LEU 25 Ca -0.16 1.17 0.00 0.00 0.02 0.00 0.00 54.13 55.15 1k0t s LEU 25 Cb -0.00 -3.02 0.00 0.00 0.02 0.00 0.00 46.19 43.18 1k0t s LEU 25 CO 0.76 -2.23 0.00 -0.62 0.02 0.00 0.00 176.35 174.27 1k0t n GLU 26 N 8.83 2.70 -3.16 1.70 -0.58 -0.99 -4.81 120.64 124.33 1k0t n GLU 26 Ca 0.28 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.63 1k0t n GLU 26 Cb 0.50 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.31 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 -0.84 4.35 0.33 3.49 0.23 -1.26 0.15 119.30 125.74 1k0t s MET 27 Ca 0.00 0.81 0.05 0.00 -1.03 0.00 0.00 55.69 55.52 1k0t s MET 27 Cb 0.00 -3.33 -0.06 0.00 -1.53 0.00 0.00 34.83 29.90 1k0t s MET 27 CO 0.00 0.39 0.02 0.14 -2.03 0.00 0.00 175.02 173.54 1k0t s VAL 28 N -0.28 1.41 -0.23 5.16 -7.23 0.33 -4.83 120.40 114.72 1k0t s VAL 28 Ca 0.32 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.18 1k0t s VAL 28 Cb -0.19 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 1k0t s VAL 28 CO 0.19 -0.07 1.31 -2.16 -0.31 0.00 0.00 175.10 174.06 1k0t s PRO 29 N -3.83 4.04 0.00 4.82 0.04 -1.26 -1.04 135.00 137.77 1k0t s PRO 29 Ca 0.35 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1k0t s PRO 29 Cb 0.08 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1k0t s PRO 29 CO 0.15 -0.96 0.00 1.87 0.04 0.00 0.00 177.00 178.10 1k0t n TRP 30 N 7.25 0.00 0.00 0.56 -0.00 0.14 -4.70 117.44 120.70 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 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.77 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 0.18 5.87 -0.08 -1.09 -4.70 116.55 116.73 1k0t n ASP 31 Ca 0.00 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.37 1k0t n ASP 31 Cb 0.00 0.00 0.49 0.00 2.34 0.00 0.00 41.12 43.95 1k0t n ASP 31 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1k0t h GLY 32 N 0.00 0.00 -1.68 0.27 0.00 -1.96 -3.32 103.07 96.39 1k0t h GLY 32 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1k0t h GLY 32 CO 0.00 0.00 0.38 0.00 0.00 0.00 0.00 176.54 176.92 1k0t h LYS 34 N 0.66 0.00 -0.22 0.00 6.56 -1.88 0.27 116.57 121.96 1k0t h LYS 34 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1k0t h LYS 34 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1k0t h LYS 34 CO 0.61 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 178.00 1k0t n ALA 35 N -2.40 2.50 -3.45 3.86 0.00 -1.26 -4.96 120.51 114.80 1k0t n ALA 35 Ca -0.00 -1.81 -0.25 0.00 0.00 0.00 0.00 53.44 51.38 1k0t n ALA 35 Cb 0.21 -0.48 0.04 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.31 -0.52 2.90 0.00 0.00 0.96 -4.88 105.19 103.35 1k0t n GLY 36 Ca 0.15 0.17 -0.15 0.00 0.00 0.00 0.00 46.02 46.18 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 -6.14 0.08 -0.13 1.61 1.03 -1.26 0.29 119.66 115.14 1k0t s GLN 37 Ca 0.48 0.57 -0.07 0.00 0.04 0.00 0.00 55.36 56.38 1k0t s GLN 37 Cb -0.23 -0.19 -0.04 0.00 0.03 0.00 0.00 33.01 32.58 1k0t s GLN 37 CO 0.59 -0.27 0.12 -1.50 -2.54 0.00 0.00 175.29 171.70 1k0t s ILE 38 N 2.04 5.32 -0.32 3.63 1.10 -0.20 -4.70 121.20 128.06 1k0t s ILE 38 Ca -0.00 0.14 -0.29 0.00 -0.51 0.00 0.00 60.65 59.99 1k0t s ILE 38 Cb -0.12 -3.33 -0.01 0.00 0.15 0.00 0.00 42.46 39.15 1k0t s ILE 38 CO -0.07 0.58 1.61 0.00 -2.11 0.00 0.00 174.94 174.96 1k0t s ALA 39 N -0.73 3.05 0.24 1.50 0.00 -1.26 -0.51 121.76 124.05 1k0t s ALA 39 Ca 0.13 0.19 -0.22 0.00 0.00 0.00 0.00 51.96 52.06 1k0t s ALA 39 Cb -0.12 -3.94 0.04 0.00 0.00 0.00 0.00 23.12 19.10 1k0t s ALA 39 CO 0.03 -2.34 0.82 -1.12 0.00 0.00 0.00 175.76 173.14 1k0t s SER 40 N 4.81 -0.21 0.17 0.00 0.01 0.40 -4.89 113.70 113.99 1k0t s SER 40 Ca 0.71 -0.57 -0.32 0.00 1.31 0.00 0.00 55.95 57.08 1k0t s SER 40 Cb -0.20 0.65 -0.11 0.00 0.21 0.00 0.00 66.02 66.56 1k0t s SER 40 CO 0.32 -1.20 1.78 -0.24 0.41 0.00 0.00 173.24 174.30 1k0t n SER 41 N -0.54 4.04 0.00 2.44 2.88 -1.26 -2.33 113.62 118.85 1k0t n SER 41 Ca -0.05 1.03 -0.11 0.00 -1.33 0.00 0.00 58.87 58.41 1k0t n SER 41 Cb 0.60 -1.57 -0.08 0.00 -0.75 0.00 0.00 64.21 62.41 1k0t n SER 41 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1k0t h PRO 42 N 7.55 -0.11 0.00 -1.46 0.13 -1.87 -3.43 132.00 132.81 1k0t h PRO 42 Ca -0.44 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1k0t h PRO 42 Cb 1.21 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1k0t h PRO 42 CO 0.95 0.43 -0.16 0.54 -0.23 0.00 0.00 178.00 179.53 1k0t n ARG 43 N -4.82 0.00 -1.53 0.86 1.74 -1.26 -4.98 116.66 106.67 1k0t n ARG 43 Ca -0.08 -0.32 -0.03 0.00 -0.77 0.00 0.00 57.85 56.65 1k0t n ARG 43 Cb 0.29 -0.16 -0.01 0.00 -1.02 0.00 0.00 32.46 31.56 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 -0.04 -0.06 0.55 -1.04 -1.26 -4.68 114.28 107.74 1k0t n THR 44 Ca 0.00 0.00 0.21 0.00 -2.04 0.00 0.00 64.05 62.22 1k0t n THR 44 Cb 0.56 -0.32 0.67 0.00 -1.82 0.00 0.00 70.33 69.42 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 0.05 0.00 -2.82 4.11 -1.96 -3.41 114.58 110.55 1k0t h GLU 45 Ca -0.06 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1k0t h GLU 45 Cb 0.46 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1k0t h GLU 45 CO 0.09 0.04 0.00 -0.25 0.07 0.00 0.00 179.01 178.95 1k0t n ASP 46 N -4.37 0.17 -0.62 3.06 9.92 -1.26 -5.03 116.55 118.42 1k0t n ASP 46 Ca 0.12 -0.55 0.00 0.00 -0.53 0.00 0.00 54.79 53.83 1k0t n ASP 46 Cb 0.67 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.15 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 0.06 1.92 -1.54 0.00 3.14 -1.26 -4.99 118.33 115.65 1k0t n VAL 48 Ca 0.00 -3.27 -0.00 0.00 -2.96 0.00 0.00 64.34 58.10 1k0t n VAL 48 Cb 0.00 -0.21 0.00 0.00 -1.06 0.00 0.00 33.84 32.57 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 -0.69 -1.52 3.18 7.55 0.00 -1.26 -5.11 105.19 107.34 1k0t n GLY 49 Ca 0.25 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.15 2.58 -0.38 0.00 1.02 -1.26 -4.81 119.74 113.73 1k0t s LYS 51 Ca 0.08 -2.48 0.06 0.00 0.02 0.00 0.00 55.97 53.65 1k0t s LYS 51 Cb -0.00 -3.76 0.29 0.00 -0.52 0.00 0.00 37.83 33.84 1k0t s LYS 51 CO -0.01 -1.17 1.25 0.54 -0.92 0.00 0.00 175.35 175.03 1k0t n ARG 52 N 3.59 0.82 -2.20 1.68 5.12 -1.26 -4.96 116.66 119.45 1k0t n ARG 52 Ca 0.07 -1.47 -0.01 0.00 -1.93 0.00 0.00 57.85 54.51 1k0t n ARG 52 Cb 0.38 -0.24 0.07 0.00 -1.16 0.00 0.00 32.46 31.52 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 -0.89 3.98 -2.58 0.00 0.28 -1.26 -4.02 120.64 116.14 1k0t n GLU 54 Ca -0.11 -2.78 -0.05 0.00 -0.16 0.00 0.00 57.16 54.07 1k0t n GLU 54 Cb 0.72 -2.63 0.08 0.00 1.43 0.00 0.00 31.44 31.05 1k0t n GLU 54 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1k0t n THR 55 N 2.40 0.00 0.00 3.84 5.66 -1.26 -3.92 114.28 121.00 1k0t n THR 55 Ca 0.67 -1.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 1k0t n THR 55 Cb 0.30 0.87 0.00 0.00 -1.55 0.00 0.00 70.33 69.94 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 -0.75 -0.30 0.00 1.79 0.00 -1.26 -3.91 120.51 116.09 1k0t n ALA 56 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1k0t n ALA 56 Cb 0.78 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.30 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 0.00 4.48 0.00 0.00 0.04 -1.26 -3.70 135.00 134.56 1k0t s PRO 58 Ca 0.00 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1k0t s PRO 58 Cb 0.00 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1k0t s PRO 58 CO 0.00 0.10 0.00 2.41 0.04 0.00 0.00 177.00 179.55 1k0t n THR 59 N 0.75 0.00 -0.22 1.26 -1.04 -1.19 -4.55 114.28 109.29 1k0t n THR 59 Ca 0.01 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.16 1k0t n THR 59 Cb 0.47 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 69.24 1k0t n THR 59 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1k0t n ASP 60 N 2.06 0.03 0.00 8.00 8.00 -1.25 -4.57 116.55 128.82 1k0t n ASP 60 Ca 0.00 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.61 1k0t n ASP 60 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 1k0t n ASP 60 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1k0t n PHE 61 N -4.74 0.00 -1.97 1.24 3.72 -1.24 -5.07 117.46 109.40 1k0t n PHE 61 Ca 0.19 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.18 1k0t n PHE 61 Cb 0.63 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.15 1k0t n PHE 61 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 1k0t s LEU 62 N -1.80 4.38 -0.50 4.37 2.34 -1.25 -4.90 118.68 121.32 1k0t s LEU 62 Ca 0.00 2.77 0.02 0.00 0.06 0.00 0.00 54.13 56.98 1k0t s LEU 62 Cb 0.00 -3.64 0.55 0.00 -0.56 0.00 0.00 46.19 42.54 1k0t s LEU 62 CO 0.00 -0.72 1.93 -1.20 -1.06 0.00 0.00 176.35 175.30 1k0t n SER 63 N 1.68 5.22 -2.07 1.48 7.64 -1.26 -3.17 113.62 123.15 1k0t n SER 63 Ca 0.05 -3.58 -0.02 0.00 1.01 0.00 0.00 58.87 56.32 1k0t n SER 63 Cb 0.40 -0.89 -0.02 0.00 -1.01 0.00 0.00 64.21 62.70 1k0t n SER 63 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1k0t n ILE 64 N -0.93 -9.82 0.55 0.44 -0.00 -1.26 -4.89 119.36 103.45 1k0t n ILE 64 Ca 0.57 2.05 0.09 0.00 -0.00 0.00 0.00 62.75 65.47 1k0t n ILE 64 Cb 1.23 -5.34 0.26 0.00 -0.00 0.00 0.00 39.64 35.78 1k0t n ILE 64 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 1k0t n ARG 65 N 1.21 2.15 -2.46 0.38 0.00 -1.26 -5.01 116.66 111.67 1k0t n ARG 65 Ca -0.14 -1.77 -0.02 0.00 -0.00 0.00 0.00 57.85 55.93 1k0t n ARG 65 Cb 0.21 -1.42 -0.02 0.00 0.00 0.00 0.00 32.46 31.23 1k0t n ARG 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1k0t n VAL 66 N 0.95-13.34 0.00 5.15 0.31 -1.26 -5.03 118.33 105.11 1k0t n VAL 66 Ca 0.17 3.06 0.00 0.00 -0.01 0.00 0.00 64.34 67.56 1k0t n VAL 66 Cb 0.44 -6.30 0.00 0.00 -0.91 0.00 0.00 33.84 27.08 1k0t n VAL 66 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k0t n TYR 67 N 1.81 -0.04 0.13 3.52 9.36 -1.26 -4.82 117.16 125.86 1k0t n TYR 67 Ca -0.17 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 60.92 1k0t n TYR 67 Cb 0.26 0.24 -0.08 0.00 -0.63 0.00 0.00 39.34 39.13 1k0t n TYR 67 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1k0t h LEU 68 N 0.00 -0.23 -5.23 2.98 3.38 -1.92 -3.05 115.31 111.24 1k0t h LEU 68 Ca 0.00 -0.08 -0.68 0.00 0.09 0.00 0.00 57.88 57.21 1k0t h LEU 68 Cb 0.00 0.06 -0.20 0.00 0.09 0.00 0.00 40.66 40.61 1k0t h LEU 68 CO 0.00 -0.07 1.17 0.61 0.09 0.00 0.00 178.44 180.25 1k0t n GLY 69 N -0.90 5.15 1.88 0.83 0.00 -1.26 -4.20 105.19 106.69 1k0t n GLY 69 Ca -0.09 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.75 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 0.61 3.00 -1.00 4.61 0.00 -1.16 -5.06 120.51 121.52 1k0t n ALA 70 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1k0t n ALA 70 Cb 0.35 0.04 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 -0.85 0.00 0.00 0.00 177.50 176.65 1k0t n GLU 71 N -3.19 1.40 -4.06 0.00 0.28 -1.22 -4.39 120.64 109.46 1k0t n GLU 71 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 1k0t n GLU 71 Cb 0.02 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.88 1k0t n GLU 71 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1k0t n THR 72 N -0.69 -2.84 0.00 3.84 5.66 -1.24 -4.55 114.28 114.46 1k0t n THR 72 Ca 0.00 -0.62 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 1k0t n THR 72 Cb 0.00 -2.34 0.00 0.00 -1.55 0.00 0.00 70.33 66.44 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 -4.74 0.00 0.00 1.09 5.66 -1.26 -4.88 114.28 110.14 1k0t n THR 73 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1k0t n THR 73 Cb 0.61 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 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 -0.68 0.00 0.02 1.09 1.85 -1.26 -4.85 116.66 112.83 1k0t n ARG 74 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.96 1k0t n ARG 74 Cb 0.00 -0.30 0.02 0.00 -1.05 0.00 0.00 32.46 31.12 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 -1.87 0.64 0.00 2.89 2.88 -1.26 -4.66 113.62 112.23 1k0t n SER 75 Ca 0.00 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 1k0t n SER 75 Cb 0.00 0.81 0.00 0.00 -0.75 0.00 0.00 64.21 64.27 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 -1.84 0.00 0.00 -1.46 2.81 -1.26 -1.93 117.12 113.44 1k0t n MET 76 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1k0t n MET 76 Cb 0.41 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.92 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 0.00 0.10 0.13 3.03 0.00 -1.26 -3.63 105.19 103.56 1k0t n GLY 77 Ca 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.57 2.26 -0.42 0.99 -0.00 -1.21 -4.16 117.00 112.89 1k0t n LEU 78 Ca 0.00 0.23 0.40 0.00 -0.00 0.00 0.00 56.01 56.64 1k0t n LEU 78 Cb 0.00 -0.92 0.73 0.00 -0.00 0.00 0.00 43.42 43.23 1k0t n LEU 78 CO 0.00 0.63 1.37 0.00 -0.00 0.00 0.00 177.39 179.39 1k0t h ALA 79 N -0.50 3.32 0.00 1.96 0.00 -1.83 -3.51 119.26 118.71 1k0t h ALA 79 Ca -0.55 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1k0t h ALA 79 Cb 1.67 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1k0t h ALA 79 CO -0.23 -1.84 0.00 2.48 0.00 0.00 0.00 179.25 179.66