#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 -2.48 -2.15 1.43 8.25 -0.48 -4.87 115.22 114.93 1k0t n HIS 2 Ca 0.00 1.44 0.08 0.00 -0.26 0.00 0.00 57.72 58.98 1k0t n HIS 2 Cb 0.00 -2.78 -0.02 0.00 1.12 0.00 0.00 29.99 28.31 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 0.69 -5.24 0.00 0.41 2.88 0.55 -4.81 113.62 108.10 1k0t n SER 3 Ca 0.00 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1k0t n SER 3 Cb 0.00 -1.78 0.00 0.00 -0.75 0.00 0.00 64.21 61.68 1k0t n SER 3 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1k0t n VAL 4 N -2.36 0.00 -1.31 2.46 3.14 -1.26 -3.51 118.33 115.48 1k0t n VAL 4 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 1k0t n VAL 4 Cb 0.26 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.03 1k0t n VAL 4 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1k0t n LYS 5 N 0.00 0.01 -3.95 1.45 0.00 -1.26 -4.36 118.16 110.05 1k0t n LYS 5 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 57.99 1k0t n LYS 5 Cb 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 35.03 33.88 1k0t n LYS 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1k0t s ILE 6 N -1.62 2.58 0.87 3.15 1.09 -1.26 -4.67 121.20 121.34 1k0t s ILE 6 Ca 0.60 -2.30 -0.10 0.00 -1.10 0.00 0.00 60.65 57.74 1k0t s ILE 6 Cb -0.66 -2.86 0.17 0.00 -1.06 0.00 0.00 42.46 38.05 1k0t s ILE 6 CO 0.62 -0.63 1.20 -0.31 -0.10 0.00 0.00 174.94 175.72 1k0t s TYR 7 N 0.92 1.57 0.60 3.97 2.02 -1.26 -4.09 117.35 121.09 1k0t s TYR 7 Ca 0.10 0.09 0.28 0.00 -0.37 0.00 0.00 57.07 57.17 1k0t s TYR 7 Cb -0.20 -3.70 1.08 0.00 -0.40 0.00 0.00 41.96 38.74 1k0t s TYR 7 CO -0.07 -2.31 1.46 0.38 -1.57 0.00 0.00 175.55 173.45 1k0t h ASP 8 N -1.23 0.00 -0.27 2.29 3.04 -1.97 -3.38 116.42 114.90 1k0t h ASP 8 Ca -0.41 0.00 -0.29 0.00 -3.24 0.00 0.00 57.03 53.09 1k0t h ASP 8 Cb 1.25 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 39.47 1k0t h ASP 8 CO 0.39 0.00 1.36 1.07 -2.04 0.00 0.00 179.24 180.02 1k0t n THR 9 N -3.36 -0.01 -3.68 1.15 5.66 -1.26 -4.80 114.28 107.99 1k0t n THR 9 Ca 0.19 -0.45 -0.09 0.00 -3.05 0.00 0.00 64.05 60.65 1k0t n THR 9 Cb 1.31 -0.96 -0.10 0.00 -1.55 0.00 0.00 70.33 69.02 1k0t n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1k0t n ILE 11 N 4.71 0.29 0.00 0.00 -0.00 -1.26 -5.02 119.36 118.08 1k0t n ILE 11 Ca -0.17 -0.16 0.00 0.00 -0.00 0.00 0.00 62.75 62.42 1k0t n ILE 11 Cb 0.53 -0.84 0.00 0.00 -0.00 0.00 0.00 39.64 39.33 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 2.87 0.37 3.65 3.28 0.00 -1.26 -5.15 105.19 108.96 1k0t n GLY 12 Ca -0.07 0.00 -0.35 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 2.40 3.99 -3.76 0.00 -2.24 -1.26 -4.80 114.28 108.61 1k0t n THR 14 Ca -0.18 -2.87 -0.13 0.00 -2.27 0.00 0.00 64.05 58.60 1k0t n THR 14 Cb 0.53 -2.59 -0.12 0.00 -2.10 0.00 0.00 70.33 66.06 1k0t n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k0t s GLN 15 N 2.44 0.30 0.00 -0.78 -2.07 -1.26 -4.73 119.66 113.56 1k0t s GLN 15 Ca 0.59 0.44 0.00 0.00 -1.82 0.00 0.00 55.36 54.57 1k0t s GLN 15 Cb 0.16 0.08 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 1k0t s GLN 15 CO -0.07 -0.08 0.00 0.00 -1.32 0.00 0.00 175.29 173.82 1k0t n VAL 17 N 0.00 0.64 0.00 0.00 0.31 -1.26 -4.20 118.33 113.82 1k0t n VAL 17 Ca 0.00 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1k0t n VAL 17 Cb 0.00 0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 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 1.02 0.00 -0.38 5.55 3.00 -1.26 -4.85 116.66 119.73 1k0t n ARG 18 Ca 0.18 0.00 -0.02 0.00 -0.01 0.00 0.00 57.85 58.00 1k0t n ARG 18 Cb 0.45 -0.18 0.03 0.00 0.00 0.00 0.00 32.46 32.75 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 -2.61 -0.17 -1.71 7.54 0.00 -1.26 -4.37 120.51 117.93 1k0t n ALA 19 Ca 0.00 0.96 -0.67 0.00 0.00 0.00 0.00 53.44 53.74 1k0t n ALA 19 Cb 0.16 -0.41 -0.10 0.00 0.00 0.00 0.00 19.45 19.10 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 5.48 -0.14 0.00 0.00 0.13 -1.98 -3.15 132.00 132.34 1k0t h PRO 21 Ca -0.42 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1k0t h PRO 21 Cb 1.37 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1k0t h PRO 21 CO 0.99 0.33 0.00 1.47 -0.23 0.00 0.00 178.00 180.56 1k0t n LEU 22 N -4.85 0.00 -2.50 1.56 -0.00 -1.26 -4.92 117.00 105.02 1k0t n LEU 22 Ca -0.07 0.43 -0.05 0.00 -0.00 0.00 0.00 56.01 56.32 1k0t n LEU 22 Cb 0.27 -0.43 -0.04 0.00 -0.00 0.00 0.00 43.42 43.22 1k0t n LEU 22 CO 0.24 -0.26 -0.59 0.47 -0.00 0.00 0.00 177.39 177.25 1k0t n ASP 23 N -1.43 -1.43 0.02 1.45 8.00 -1.19 -5.03 116.55 116.94 1k0t n ASP 23 Ca 0.04 1.23 -0.01 0.00 0.71 0.00 0.00 54.79 56.76 1k0t n ASP 23 Cb 0.12 -4.88 -0.00 0.00 -0.02 0.00 0.00 41.12 36.34 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 1.41 0.75 -1.59 2.53 0.31 -1.26 -5.03 118.33 115.45 1k0t n VAL 24 Ca -0.33 0.22 -0.50 0.00 -0.01 0.00 0.00 64.34 63.71 1k0t n VAL 24 Cb 0.52 -1.58 -0.05 0.00 -0.91 0.00 0.00 33.84 31.82 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 -3.34 1.75 0.00 7.52 4.32 -1.26 -4.94 117.00 121.06 1k0t n LEU 25 Ca -0.02 1.13 -0.01 0.00 -0.02 0.00 0.00 56.01 57.10 1k0t n LEU 25 Cb 0.24 -1.23 -0.00 0.00 -1.62 0.00 0.00 43.42 40.81 1k0t n LEU 25 CO 0.01 -1.07 -0.00 -0.62 -1.22 0.00 0.00 177.39 174.48 1k0t n GLU 26 N 2.27 0.12 -3.09 3.23 1.02 -0.16 -4.93 120.64 119.09 1k0t n GLU 26 Ca 0.17 -0.09 -0.39 0.00 -0.02 0.00 0.00 57.16 56.83 1k0t n GLU 26 Cb 0.22 0.07 -0.05 0.00 -0.02 0.00 0.00 31.44 31.66 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 -2.04 4.41 0.39 3.49 0.23 -1.26 0.66 119.30 125.19 1k0t s MET 27 Ca 0.01 0.90 0.08 0.00 -1.03 0.00 0.00 55.69 55.64 1k0t s MET 27 Cb 0.00 -3.36 -0.08 0.00 -1.53 0.00 0.00 34.83 29.87 1k0t s MET 27 CO 0.01 0.32 -0.01 0.14 -2.03 0.00 0.00 175.02 173.44 1k0t s VAL 28 N -0.10 2.07 -0.38 5.16 -7.23 0.11 -4.86 120.40 115.18 1k0t s VAL 28 Ca 0.35 -2.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.18 1k0t s VAL 28 Cb -0.19 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 33.84 1k0t s VAL 28 CO 0.20 -0.05 1.39 -2.16 -0.31 0.00 0.00 175.10 174.17 1k0t s PRO 29 N -3.69 3.67 0.00 4.82 0.04 -1.26 -1.18 135.00 137.40 1k0t s PRO 29 Ca 0.34 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1k0t s PRO 29 Cb 0.08 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1k0t s PRO 29 CO 0.18 -1.44 0.00 1.87 0.04 0.00 0.00 177.00 177.65 1k0t n TRP 30 N 8.50 0.00 0.00 0.56 -0.00 0.15 -4.78 117.44 121.87 1k0t n TRP 30 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.66 1k0t n TRP 30 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.79 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 0.26 5.87 2.03 -1.13 -4.70 116.55 118.88 1k0t n ASP 31 Ca 0.00 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.48 1k0t n ASP 31 Cb 0.00 0.00 0.89 0.00 -0.72 0.00 0.00 41.12 41.29 1k0t n ASP 31 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1k0t h GLY 32 N 0.00 0.00 -1.15 0.27 0.00 -1.96 -3.36 103.07 96.87 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 0.33 0.00 0.00 0.00 0.00 176.54 176.87 1k0t h LYS 34 N -0.56 0.00 -0.34 0.00 1.79 -1.90 -1.71 116.57 113.86 1k0t h LYS 34 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1k0t h LYS 34 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1k0t h LYS 34 CO 0.63 0.24 0.00 0.00 -1.08 0.00 0.00 179.45 179.24 1k0t n ALA 35 N -2.37 2.28 -3.32 3.86 0.00 -1.26 -4.96 120.51 114.74 1k0t n ALA 35 Ca -0.02 -1.28 -0.24 0.00 0.00 0.00 0.00 53.44 51.91 1k0t n ALA 35 Cb 0.33 -0.47 0.03 0.00 0.00 0.00 0.00 19.45 19.34 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 0.41 -0.52 2.69 0.00 0.00 -0.64 -4.88 105.19 102.25 1k0t n GLY 36 Ca 0.13 0.16 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 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 -6.01 0.13 -0.17 1.61 1.03 -1.26 0.33 119.66 115.33 1k0t s GLN 37 Ca 0.43 0.26 -0.07 0.00 0.04 0.00 0.00 55.36 56.01 1k0t s GLN 37 Cb -0.20 -0.75 -0.04 0.00 0.03 0.00 0.00 33.01 32.05 1k0t s GLN 37 CO 0.53 -0.35 0.08 -1.50 -2.54 0.00 0.00 175.29 171.51 1k0t s ILE 38 N 2.11 5.01 -0.55 3.63 1.10 -0.33 -4.76 121.20 127.41 1k0t s ILE 38 Ca 0.05 0.04 -0.28 0.00 -0.51 0.00 0.00 60.65 59.95 1k0t s ILE 38 Cb -0.12 -3.24 0.00 0.00 0.15 0.00 0.00 42.46 39.25 1k0t s ILE 38 CO -0.04 0.50 1.58 0.00 -2.11 0.00 0.00 174.94 174.86 1k0t s ALA 39 N -0.00 2.64 0.32 1.50 0.00 -1.26 0.06 121.76 125.02 1k0t s ALA 39 Ca 0.07 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.49 1k0t s ALA 39 Cb -0.12 -4.15 -0.03 0.00 0.00 0.00 0.00 23.12 18.82 1k0t s ALA 39 CO 0.00 -3.17 0.30 -1.12 0.00 0.00 0.00 175.76 171.78 1k0t s SER 40 N 5.58 1.37 -0.69 0.00 0.01 0.21 -4.90 113.70 115.27 1k0t s SER 40 Ca 0.59 -1.67 0.05 0.00 1.31 0.00 0.00 55.95 56.23 1k0t s SER 40 Cb -0.13 0.56 0.17 0.00 0.21 0.00 0.00 66.02 66.83 1k0t s SER 40 CO 0.24 -1.09 0.49 -0.55 0.41 0.00 0.00 173.24 172.75 1k0t s SER 41 N -3.32 4.63 -0.04 2.44 0.15 -1.26 -0.99 113.70 115.30 1k0t s SER 41 Ca 0.39 -3.83 -0.07 0.00 0.70 0.00 0.00 55.95 53.14 1k0t s SER 41 Cb 0.02 -1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 62.73 1k0t s SER 41 CO 0.25 -0.09 0.35 1.55 1.20 0.00 0.00 173.24 176.50 1k0t h PRO 42 N 5.39 -0.23 -5.20 5.44 0.13 -1.91 -3.40 132.00 132.23 1k0t h PRO 42 Ca 0.16 0.02 -0.70 0.00 -0.87 0.00 0.00 66.00 64.61 1k0t h PRO 42 Cb 0.76 0.05 -0.15 0.00 0.13 0.00 0.00 31.00 31.79 1k0t h PRO 42 CO 0.70 -0.15 1.35 1.03 -0.23 0.00 0.00 178.00 180.70 1k0t s ARG 43 N -2.31 3.86 -0.03 0.86 0.52 -1.26 -4.78 118.95 115.80 1k0t s ARG 43 Ca -0.03 -2.04 0.02 0.00 -0.52 0.00 0.00 55.73 53.15 1k0t s ARG 43 Cb 0.00 -5.14 0.12 0.00 0.52 0.00 0.00 34.95 30.46 1k0t s ARG 43 CO 0.10 -1.91 0.75 2.41 0.02 0.00 0.00 175.30 176.67 1k0t n THR 44 N 5.48 0.38 -0.17 0.02 -1.04 -1.26 -4.21 114.28 113.48 1k0t n THR 44 Ca 0.34 -0.20 0.29 0.00 -2.04 0.00 0.00 64.05 62.44 1k0t n THR 44 Cb 0.46 -0.39 0.67 0.00 -1.82 0.00 0.00 70.33 69.25 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 0.62 0.00 -3.52 -2.82 4.11 -1.97 -2.92 114.58 108.07 1k0t h GLU 45 Ca 0.00 0.00 -0.71 0.00 0.07 0.00 0.00 59.36 58.72 1k0t h GLU 45 Cb 0.65 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 29.55 1k0t h GLU 45 CO 0.07 0.00 -0.26 -0.51 0.07 0.00 0.00 179.01 178.37 1k0t s ASP 46 N -4.62 5.53 0.00 3.06 1.11 -1.26 -4.98 116.67 115.51 1k0t s ASP 46 Ca -0.04 -3.06 0.00 0.00 0.18 0.00 0.00 52.55 49.63 1k0t s ASP 46 Cb 0.18 -1.90 0.00 0.00 1.07 0.00 0.00 42.92 42.27 1k0t s ASP 46 CO 0.62 -0.34 0.00 0.00 1.18 0.00 0.00 175.17 176.63 1k0t n VAL 48 N -0.41 0.85 -3.03 0.00 3.14 -1.26 -5.04 118.33 112.57 1k0t n VAL 48 Ca 0.00 -2.73 -0.24 0.00 -2.96 0.00 0.00 64.34 58.41 1k0t n VAL 48 Cb 0.00 0.82 0.02 0.00 -1.06 0.00 0.00 33.84 33.62 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 -0.26 0.12 2.18 7.55 0.00 -1.26 -4.76 105.19 108.76 1k0t n GLY 49 Ca 0.06 0.71 -0.22 0.00 0.00 0.00 0.00 46.02 46.57 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 0.58 -0.63 0.00 0.00 5.02 -1.26 -4.90 118.16 116.97 1k0t n LYS 51 Ca 0.40 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1k0t n LYS 51 Cb 0.57 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 1k0t n LYS 51 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1k0t n ARG 52 N -4.26 0.00 -3.93 1.97 3.00 -1.26 -4.92 116.66 107.25 1k0t n ARG 52 Ca -0.18 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.36 1k0t n ARG 52 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.02 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 -3.89 2.11 0.10 0.00 0.28 -1.26 -3.73 120.64 114.26 1k0t n GLU 54 Ca 0.06 -1.09 0.00 0.00 -0.16 0.00 0.00 57.16 55.97 1k0t n GLU 54 Cb 0.49 -2.06 0.00 0.00 1.43 0.00 0.00 31.44 31.29 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 2.61 0.40 0.00 3.84 -2.24 -1.26 -5.01 114.28 112.62 1k0t n THR 55 Ca 0.45 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.36 1k0t n THR 55 Cb 0.84 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 -3.37 0.00 0.00 6.98 0.00 -1.24 -3.69 120.51 119.18 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 s PRO 58 N 0.00 4.41 0.00 0.00 0.04 -1.24 -2.41 135.00 135.80 1k0t s PRO 58 Ca 0.00 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1k0t s PRO 58 Cb 0.00 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1k0t s PRO 58 CO 0.00 0.05 0.00 2.41 0.04 0.00 0.00 177.00 179.50 1k0t n THR 59 N 0.57 0.00 -0.25 1.26 -1.04 -1.26 -4.42 114.28 109.15 1k0t n THR 59 Ca 0.02 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.14 1k0t n THR 59 Cb 0.47 0.00 0.23 0.00 -1.82 0.00 0.00 70.33 69.21 1k0t n THR 59 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1k0t n ASP 60 N 1.61 -0.06 0.00 8.00 -0.08 -1.26 -4.67 116.55 120.09 1k0t n ASP 60 Ca 0.00 1.21 0.00 0.00 -1.51 0.00 0.00 54.79 54.49 1k0t n ASP 60 Cb 0.00 -0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.01 1k0t n ASP 60 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1k0t n PHE 61 N -4.95 -0.12 -3.13 -0.67 3.72 -1.21 -5.05 117.46 106.05 1k0t n PHE 61 Ca 0.18 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.50 1k0t n PHE 61 Cb 0.58 0.02 0.01 0.00 -0.94 0.00 0.00 39.48 39.15 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 -0.90 -4.58 0.00 4.37 4.77 -1.01 -4.96 117.00 114.69 1k0t n LEU 62 Ca 0.00 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1k0t n LEU 62 Cb 0.00 -2.06 0.00 0.00 -2.33 0.00 0.00 43.42 39.03 1k0t n LEU 62 CO 0.00 -1.61 0.00 -1.54 -1.33 0.00 0.00 177.39 172.91 1k0t n SER 63 N 0.83 0.00 -2.67 -1.43 3.41 -1.26 -4.96 113.62 107.53 1k0t n SER 63 Ca -0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.56 1k0t n SER 63 Cb 0.43 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.43 1k0t n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k0t n ILE 64 N 0.00 0.00 -3.99 -1.33 0.00 -1.26 -5.14 119.36 107.64 1k0t n ILE 64 Ca 0.00 -0.46 -0.35 0.00 0.00 0.00 0.00 62.75 61.95 1k0t n ILE 64 Cb 0.00 0.85 -0.14 0.00 0.00 0.00 0.00 39.64 40.34 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 0.59 3.35 -0.69 9.51 3.00 -1.26 -5.03 118.95 128.43 1k0t s ARG 65 Ca 0.25 -0.64 -0.35 0.00 0.00 0.00 0.00 55.73 54.99 1k0t s ARG 65 Cb 0.16 -2.95 -0.18 0.00 0.00 0.00 0.00 34.95 31.99 1k0t s ARG 65 CO -0.10 -0.16 2.42 0.28 0.00 0.00 0.00 175.30 177.74 1k0t n VAL 66 N 4.67 0.02 -2.93 3.52 0.31 -1.26 -4.66 118.33 118.00 1k0t n VAL 66 Ca -0.18 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1k0t n VAL 66 Cb 0.51 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 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 10.09 -0.21 -0.86 3.52 4.01 -1.26 -4.63 117.16 127.82 1k0t n TYR 67 Ca 0.55 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.96 1k0t n TYR 67 Cb 0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.00 0.30 -1.55 7.72 7.99 -1.23 -0.39 117.00 129.85 1k0t n LEU 68 Ca 0.00 0.63 -0.07 0.00 -0.01 0.00 0.00 56.01 56.55 1k0t n LEU 68 Cb 0.00 -0.48 0.03 0.00 -0.11 0.00 0.00 43.42 42.86 1k0t n LEU 68 CO 0.00 -0.75 0.07 0.61 -1.51 0.00 0.00 177.39 175.81 1k0t n GLY 69 N 1.43 0.42 0.61 -0.72 0.00 -1.26 0.21 105.19 105.87 1k0t n GLY 69 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.05 0.00 -0.98 4.61 0.00 0.48 -4.52 120.51 117.05 1k0t n ALA 70 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 1k0t n ALA 70 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.50 -1.62 -3.92 0.00 0.28 -0.63 -3.86 120.64 108.39 1k0t n GLU 71 Ca 0.00 -0.14 -0.31 0.00 -0.16 0.00 0.00 57.16 56.55 1k0t n GLU 71 Cb 0.00 -0.15 -0.07 0.00 1.43 0.00 0.00 31.44 32.65 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 -2.93 -0.28 -0.07 3.84 5.66 -1.26 -4.73 114.28 114.52 1k0t n THR 72 Ca 0.01 -0.14 -0.13 0.00 -3.05 0.00 0.00 64.05 60.75 1k0t n THR 72 Cb 0.05 -0.53 -0.05 0.00 -1.55 0.00 0.00 70.33 68.25 1k0t n THR 72 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1k0t n THR 73 N -3.49 0.75 -0.01 1.09 -1.04 -1.25 -4.27 114.28 106.06 1k0t n THR 73 Ca -0.03 -0.22 0.02 0.00 -2.04 0.00 0.00 64.05 61.77 1k0t n THR 73 Cb 0.42 -1.45 -0.06 0.00 -1.82 0.00 0.00 70.33 67.43 1k0t n THR 73 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1k0t n ARG 74 N -3.37 1.06 -0.31 -2.82 0.00 -1.26 -4.53 116.66 105.42 1k0t n ARG 74 Ca -0.26 -0.05 0.08 0.00 -0.00 0.00 0.00 57.85 57.62 1k0t n ARG 74 Cb 0.71 -1.19 0.21 0.00 -0.00 0.00 0.00 32.46 32.19 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 -1.95 3.35 -0.28 2.89 2.88 -1.26 -0.60 113.62 118.65 1k0t n SER 75 Ca -0.05 -2.93 0.04 0.00 -1.33 0.00 0.00 58.87 54.59 1k0t n SER 75 Cb 0.39 -0.47 0.09 0.00 -0.75 0.00 0.00 64.21 63.47 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 -0.68 -0.09 0.00 -1.46 0.00 -1.26 -4.67 117.12 108.96 1k0t n MET 76 Ca 0.19 1.21 0.00 0.00 0.00 0.00 0.00 57.70 59.10 1k0t n MET 76 Cb 0.77 -1.81 0.00 0.00 0.00 0.00 0.00 33.22 32.18 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 -1.47 0.38 0.49 3.17 0.00 -1.26 -4.93 105.19 101.56 1k0t n GLY 77 Ca 0.12 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 1.54 -0.63 0.99 -0.00 -1.26 -4.52 117.00 113.11 1k0t n LEU 78 Ca 0.00 0.24 0.49 0.00 -0.00 0.00 0.00 56.01 56.75 1k0t n LEU 78 Cb 0.00 -0.56 0.78 0.00 -0.00 0.00 0.00 43.42 43.63 1k0t n LEU 78 CO 0.00 -0.35 1.40 0.00 -0.00 0.00 0.00 177.39 178.44 1k0t n ALA 79 N -4.02 1.73 0.00 1.96 0.00 -1.26 -5.02 120.51 113.90 1k0t n ALA 79 Ca -0.12 0.73 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1k0t n ALA 79 Cb 0.37 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1k0t n ALA 79 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98