#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 -0.06 0.54 1.43 0.00 -1.26 -5.01 115.29 110.93 1k0t s HIS 2 Ca 0.00 0.14 0.00 0.00 -3.00 0.00 0.00 55.06 52.20 1k0t s HIS 2 Cb 0.00 0.30 0.00 0.00 -4.00 0.00 0.00 32.58 28.88 1k0t s HIS 2 CO 0.00 -0.03 0.00 0.45 -1.00 0.00 0.00 174.74 174.16 1k0t n SER 3 N 2.22 -7.85 0.06 7.38 2.88 -1.26 -4.89 113.62 112.15 1k0t n SER 3 Ca -0.13 1.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1k0t n SER 3 Cb 0.57 -4.75 0.00 0.00 -0.75 0.00 0.00 64.21 59.28 1k0t n SER 3 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1k0t n VAL 4 N -4.27 0.00 -0.32 2.46 0.31 -1.26 -4.73 118.33 110.51 1k0t n VAL 4 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1k0t n VAL 4 Cb 0.67 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 1k0t n VAL 4 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1k0t n LYS 5 N -2.79 0.00 -3.66 5.55 4.81 -1.26 -4.33 118.16 116.48 1k0t n LYS 5 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 1k0t n LYS 5 Cb 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.93 1k0t n LYS 5 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1k0t s ILE 6 N 0.00 4.50 0.04 3.15 -1.09 -1.26 -4.80 121.20 121.75 1k0t s ILE 6 Ca 0.00 -0.53 -0.07 0.00 -2.23 0.00 0.00 60.65 57.81 1k0t s ILE 6 Cb 0.00 -3.34 -0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1k0t s ILE 6 CO 0.00 0.02 0.14 -0.31 -1.23 0.00 0.00 174.94 173.56 1k0t s TYR 7 N 1.59 0.14 -0.25 3.97 2.02 -1.26 -5.03 117.35 118.53 1k0t s TYR 7 Ca 0.04 -0.43 -0.02 0.00 -0.37 0.00 0.00 57.07 56.30 1k0t s TYR 7 Cb -0.17 -0.09 0.11 0.00 -0.40 0.00 0.00 41.96 41.40 1k0t s TYR 7 CO 0.06 -0.41 2.25 -0.40 -1.57 0.00 0.00 175.55 175.48 1k0t n ASP 8 N 0.64 6.15 -4.37 2.29 5.75 -1.26 -4.80 116.55 120.95 1k0t n ASP 8 Ca -0.18 -2.90 -0.45 0.00 -0.01 0.00 0.00 54.79 51.24 1k0t n ASP 8 Cb 0.59 -1.13 -0.03 0.00 -1.03 0.00 0.00 41.12 39.52 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 -1.56 5.09 -0.21 2.12 -1.32 -1.26 -4.97 115.64 113.53 1k0t s THR 9 Ca 0.31 -1.61 -0.15 0.00 -1.21 0.00 0.00 61.69 59.03 1k0t s THR 9 Cb 0.22 -4.52 0.06 0.00 -1.51 0.00 0.00 72.50 66.75 1k0t s THR 9 CO -0.04 -1.14 0.52 0.00 -2.21 0.00 0.00 174.62 171.76 1k0t n ILE 11 N 3.63 0.23 0.00 0.00 -6.64 -1.26 -4.97 119.36 110.35 1k0t n ILE 11 Ca -0.18 -0.12 0.00 0.00 -1.77 0.00 0.00 62.75 60.68 1k0t n ILE 11 Cb 0.56 -0.79 0.00 0.00 -1.44 0.00 0.00 39.64 37.98 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 3.04 0.42 3.60 3.28 0.00 -1.26 -5.09 105.19 109.18 1k0t n GLY 12 Ca -0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.10 2.16 -3.56 0.00 -2.24 -1.26 -5.01 114.28 102.28 1k0t n THR 14 Ca 0.13 -5.12 -0.16 0.00 -2.27 0.00 0.00 64.05 56.62 1k0t n THR 14 Cb 0.56 -2.12 -0.06 0.00 -2.10 0.00 0.00 70.33 66.60 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 -2.21 0.93 0.00 -0.78 -2.07 -1.26 -4.87 119.66 109.41 1k0t s GLN 15 Ca 0.36 0.42 0.00 0.00 -1.82 0.00 0.00 55.36 54.32 1k0t s GLN 15 Cb 0.10 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.46 1k0t s GLN 15 CO -0.05 -0.25 0.00 0.00 -1.32 0.00 0.00 175.29 173.66 1k0t n VAL 17 N 0.00 0.00 0.00 0.00 0.31 -1.26 -3.75 118.33 113.63 1k0t n VAL 17 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1k0t n VAL 17 Cb 0.00 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 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 -0.35 5.55 3.00 -1.26 -4.77 116.66 117.82 1k0t n ARG 18 Ca 0.15 0.00 0.12 0.00 -0.01 0.00 0.00 57.85 58.11 1k0t n ARG 18 Cb 0.26 -0.42 0.24 0.00 0.00 0.00 0.00 32.46 32.54 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 -2.85 0.42 -1.61 7.54 0.00 -1.26 -4.42 120.51 118.33 1k0t n ALA 19 Ca 0.00 1.07 -0.61 0.00 0.00 0.00 0.00 53.44 53.90 1k0t n ALA 19 Cb 0.39 -0.73 -0.08 0.00 0.00 0.00 0.00 19.45 19.02 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 4.20 -0.29 0.00 0.00 0.13 -1.96 -3.42 132.00 130.66 1k0t h PRO 21 Ca -0.48 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1k0t h PRO 21 Cb 1.39 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.59 1k0t h PRO 21 CO 0.80 -0.10 0.00 1.28 -0.23 0.00 0.00 178.00 179.75 1k0t n LEU 22 N -4.97 0.00 0.00 1.56 4.32 -1.26 -4.93 117.00 111.72 1k0t n LEU 22 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 1k0t n LEU 22 Cb 0.17 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1k0t n LEU 22 CO 0.13 0.00 0.00 -0.67 -1.22 0.00 0.00 177.39 175.63 1k0t n ASP 23 N 0.00 0.00 -1.88 -1.43 -0.08 -1.26 -5.15 116.55 106.76 1k0t n ASP 23 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1k0t n ASP 23 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1k0t n ASP 23 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1k0t n VAL 24 N 0.00 0.00 -2.66 5.18 3.14 -1.24 -4.83 118.33 117.92 1k0t n VAL 24 Ca 0.00 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.35 1k0t n VAL 24 Cb 0.00 -0.42 0.00 0.00 -1.06 0.00 0.00 33.84 32.37 1k0t n VAL 24 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1k0t n LEU 25 N 0.00 -7.47 0.00 6.55 4.77 -1.26 -4.89 117.00 114.70 1k0t n LEU 25 Ca 0.00 0.97 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 1k0t n LEU 25 Cb 0.00 -3.16 0.00 0.00 -2.33 0.00 0.00 43.42 37.93 1k0t n LEU 25 CO 0.00 -2.62 0.00 -0.62 -1.33 0.00 0.00 177.39 172.82 1k0t n GLU 26 N 0.24 2.61 -2.84 3.23 -0.58 0.44 -4.70 120.64 119.03 1k0t n GLU 26 Ca 0.05 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.38 1k0t n GLU 26 Cb 0.17 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.00 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 -0.55 4.57 0.39 3.49 0.23 -1.26 0.89 119.30 127.07 1k0t s MET 27 Ca 0.00 1.25 0.04 0.00 -1.03 0.00 0.00 55.69 55.96 1k0t s MET 27 Cb 0.00 -3.40 -0.05 0.00 -1.53 0.00 0.00 34.83 29.85 1k0t s MET 27 CO 0.00 0.16 0.05 0.14 -2.03 0.00 0.00 175.02 173.34 1k0t s VAL 28 N 0.30 1.29 -0.27 5.16 -7.23 0.54 -4.87 120.40 115.32 1k0t s VAL 28 Ca 0.44 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.32 1k0t s VAL 28 Cb -0.21 -2.68 -0.00 0.00 0.56 0.00 0.00 36.38 34.04 1k0t s VAL 28 CO 0.26 0.00 1.34 -2.16 -0.31 0.00 0.00 175.10 174.23 1k0t s PRO 29 N -3.81 3.93 0.25 4.82 0.04 -1.26 -2.23 135.00 136.74 1k0t s PRO 29 Ca 0.30 1.35 0.02 0.00 0.04 0.00 0.00 61.00 62.70 1k0t s PRO 29 Cb 0.07 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 1k0t s PRO 29 CO 0.14 -1.10 0.18 -0.46 0.04 0.00 0.00 177.00 175.80 1k0t s TRP 30 N 4.39 1.40 -0.38 0.56 -0.11 -0.85 -4.72 118.94 119.24 1k0t s TRP 30 Ca 0.58 -1.47 0.11 0.00 1.22 0.00 0.00 56.10 56.54 1k0t s TRP 30 Cb -0.18 -0.64 0.33 0.00 -1.50 0.00 0.00 33.47 31.48 1k0t s TRP 30 CO 0.23 -0.70 0.70 -3.47 -4.62 0.00 0.00 176.95 169.09 1k0t n ASP 31 N -0.76 0.62 0.00 5.86 2.03 -1.26 -3.63 116.55 119.41 1k0t n ASP 31 Ca 0.04 -2.97 0.00 0.00 0.52 0.00 0.00 54.79 52.38 1k0t n ASP 31 Cb 0.65 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1k0t n ASP 31 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k0t n GLY 32 N 0.49 0.08 3.74 0.27 0.00 -1.26 -5.02 105.19 103.49 1k0t n GLY 32 Ca 0.24 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.49 0.00 -0.12 0.00 3.11 -1.98 0.34 116.57 116.43 1k0t h LYS 34 Ca -0.50 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.31 1k0t h LYS 34 Cb 1.29 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.50 1k0t h LYS 34 CO 0.57 0.03 -0.10 0.00 -2.81 0.00 0.00 179.45 177.14 1k0t n ALA 35 N -2.25 3.01 -4.07 5.00 0.00 -1.26 -4.97 120.51 115.96 1k0t n ALA 35 Ca -0.03 -2.75 -0.30 0.00 0.00 0.00 0.00 53.44 50.36 1k0t n ALA 35 Cb 0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.10 -0.32 3.33 0.00 0.00 0.11 -4.92 105.19 102.29 1k0t n GLY 36 Ca 0.21 0.21 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 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 -6.90 0.38 -0.03 1.61 1.03 -1.24 -2.00 119.66 112.51 1k0t s GLN 37 Ca 0.10 1.05 -0.06 0.00 0.04 0.00 0.00 55.36 56.49 1k0t s GLN 37 Cb -0.05 0.33 -0.04 0.00 0.03 0.00 0.00 33.01 33.28 1k0t s GLN 37 CO 0.94 -0.22 0.23 -1.50 -2.54 0.00 0.00 175.29 172.19 1k0t s ILE 38 N 2.38 5.37 -0.52 3.63 1.10 -0.95 -4.61 121.20 127.60 1k0t s ILE 38 Ca -0.04 0.15 -0.28 0.00 -0.51 0.00 0.00 60.65 59.97 1k0t s ILE 38 Cb -0.11 -3.53 0.03 0.00 0.15 0.00 0.00 42.46 39.00 1k0t s ILE 38 CO -0.14 0.43 1.15 0.00 -2.11 0.00 0.00 174.94 174.28 1k0t s ALA 39 N -1.22 3.09 0.34 1.50 0.00 -1.26 -0.34 121.76 123.86 1k0t s ALA 39 Ca 0.24 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 51.45 1k0t s ALA 39 Cb -0.13 -3.95 0.02 0.00 0.00 0.00 0.00 23.12 19.06 1k0t s ALA 39 CO 0.13 -2.43 0.61 -1.12 0.00 0.00 0.00 175.76 172.95 1k0t s SER 40 N 2.68 0.34 -0.16 0.00 0.01 0.26 -4.87 113.70 111.95 1k0t s SER 40 Ca 0.45 -1.21 -0.26 0.00 1.31 0.00 0.00 55.95 56.25 1k0t s SER 40 Cb -0.07 0.72 -0.01 0.00 0.21 0.00 0.00 66.02 66.87 1k0t s SER 40 CO 0.29 -1.42 0.86 -0.44 0.41 0.00 0.00 173.24 172.94 1k0t s SER 41 N -3.12 6.99 -0.07 2.44 0.01 -1.26 -0.42 113.70 118.27 1k0t s SER 41 Ca 0.22 1.22 -0.18 0.00 1.31 0.00 0.00 55.95 58.53 1k0t s SER 41 Cb -0.03 -2.47 -0.13 0.00 0.21 0.00 0.00 66.02 63.60 1k0t s SER 41 CO 0.14 -0.41 0.68 1.55 0.41 0.00 0.00 173.24 175.61 1k0t h PRO 42 N 7.30 -0.18 0.00 12.44 0.13 -1.91 -3.42 132.00 146.36 1k0t h PRO 42 Ca -0.29 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1k0t h PRO 42 Cb 1.13 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1k0t h PRO 42 CO 0.84 0.22 0.00 0.54 -0.23 0.00 0.00 178.00 179.37 1k0t n ARG 43 N -4.88 0.16 -1.42 0.86 1.74 -1.26 -4.98 116.66 106.88 1k0t n ARG 43 Ca -0.07 -0.55 -0.06 0.00 -0.77 0.00 0.00 57.85 56.41 1k0t n ARG 43 Cb 0.24 -0.53 -0.02 0.00 -1.02 0.00 0.00 32.46 31.13 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 -0.03 -0.05 0.23 0.55 -1.04 -1.26 -4.71 114.28 107.97 1k0t n THR 44 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 1k0t n THR 44 Cb 0.48 -0.60 0.67 0.00 -1.82 0.00 0.00 70.33 69.06 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 0.00 -2.06 -2.82 4.11 -1.98 -2.12 114.58 109.70 1k0t h GLU 45 Ca -0.12 0.00 -0.77 0.00 0.07 0.00 0.00 59.36 58.54 1k0t h GLU 45 Cb 0.52 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.48 1k0t h GLU 45 CO 0.17 0.00 0.91 -0.25 0.07 0.00 0.00 179.01 179.91 1k0t n ASP 46 N -4.47 7.24 -3.64 3.06 9.92 -1.26 -4.88 116.55 122.52 1k0t n ASP 46 Ca -0.01 -3.78 -0.06 0.00 -0.53 0.00 0.00 54.79 50.40 1k0t n ASP 46 Cb 0.17 -1.05 -0.07 0.00 -0.64 0.00 0.00 41.12 39.53 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 3.55 2.37 -3.18 0.00 0.24 -1.26 -4.99 118.33 115.06 1k0t n VAL 48 Ca -0.18 -4.65 -0.08 0.00 -2.04 0.00 0.00 64.34 57.39 1k0t n VAL 48 Cb 0.57 -1.16 0.01 0.00 -1.47 0.00 0.00 33.84 31.80 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 -0.54 -0.53 3.25 7.63 0.00 -1.26 -4.99 105.19 108.75 1k0t n GLY 49 Ca 0.39 0.32 -0.25 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.27 2.12 0.00 0.00 2.20 -1.26 -4.72 119.74 116.80 1k0t s LYS 51 Ca 0.07 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.45 1k0t s LYS 51 Cb -0.09 -4.67 0.00 0.00 -1.51 0.00 0.00 37.83 31.56 1k0t s LYS 51 CO 0.02 -3.52 0.00 -2.13 -0.36 0.00 0.00 175.35 169.36 1k0t n ARG 52 N 8.97 0.00 -4.30 4.03 3.00 -1.26 -4.99 116.66 122.11 1k0t n ARG 52 Ca 0.37 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.87 1k0t n ARG 52 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.90 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 -4.35 1.88 0.00 0.00 0.00 -1.26 -4.19 120.64 112.72 1k0t n GLU 54 Ca -0.09 -1.23 0.00 0.00 0.00 0.00 0.00 57.16 55.84 1k0t n GLU 54 Cb 0.57 -1.79 0.00 0.00 0.00 0.00 0.00 31.44 30.22 1k0t n GLU 54 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1k0t n THR 55 N 1.58 0.00 0.00 3.84 -2.24 -1.26 0.20 114.28 116.40 1k0t n THR 55 Ca 0.34 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 1k0t n THR 55 Cb 0.69 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 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 -1.37 0.00 0.00 6.98 0.00 -1.26 -3.64 120.51 121.22 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 h PRO 58 N 0.00 -0.30 0.00 0.00 0.13 -1.96 -3.45 132.00 126.43 1k0t h PRO 58 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1k0t h PRO 58 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1k0t h PRO 58 CO 0.00 -0.12 0.00 0.25 -0.23 0.00 0.00 178.00 177.90 1k0t n THR 59 N -4.98 0.00 0.00 1.56 -2.24 -1.26 -4.91 114.28 102.45 1k0t n THR 59 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1k0t n THR 59 Cb 0.16 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.00 0.00 0.00 3.42 2.03 -1.26 -4.54 116.55 116.20 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 -3.46 -0.67 3.01 -1.26 -5.00 117.46 110.09 1k0t n PHE 61 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.28 1k0t n PHE 61 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1k0t n PHE 61 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1k0t n LEU 62 N 0.00 -0.77 0.00 4.37 4.77 -1.26 -4.80 117.00 119.30 1k0t n LEU 62 Ca 0.00 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 1k0t n LEU 62 Cb 0.00 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1k0t n LEU 62 CO 0.00 0.31 0.00 -0.24 -1.33 0.00 0.00 177.39 176.13 1k0t n SER 63 N -1.21 0.00 0.00 -1.43 2.88 -1.26 -5.09 113.62 107.51 1k0t n SER 63 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1k0t n SER 63 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 1k0t n SER 63 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1k0t n ILE 64 N 0.00 0.00 -3.33 2.46 2.08 -1.26 -5.15 119.36 114.16 1k0t n ILE 64 Ca 0.00 0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.12 1k0t n ILE 64 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 38.88 1k0t n ILE 64 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1k0t s ARG 65 N 0.42 2.73 -0.53 0.38 3.00 -1.26 -5.08 118.95 118.61 1k0t s ARG 65 Ca 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 55.73 54.36 1k0t s ARG 65 Cb 0.00 -2.60 0.14 0.00 0.00 0.00 0.00 34.95 32.49 1k0t s ARG 65 CO 0.00 -0.18 0.34 0.14 0.00 0.00 0.00 175.30 175.60 1k0t s VAL 66 N -2.38 3.60 0.00 3.52 -7.23 -1.26 -4.59 120.40 112.06 1k0t s VAL 66 Ca 0.50 -2.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1k0t s VAL 66 Cb -0.07 -3.39 0.00 0.00 0.56 0.00 0.00 36.38 33.48 1k0t s VAL 66 CO 0.30 -0.80 0.00 -1.22 -0.31 0.00 0.00 175.10 173.08 1k0t n TYR 67 N 4.05 0.00 -1.68 2.82 4.02 -1.26 -4.60 117.16 120.50 1k0t n TYR 67 Ca 0.03 0.00 -0.51 0.00 -0.01 0.00 0.00 57.90 57.41 1k0t n TYR 67 Cb 0.40 -0.16 -0.05 0.00 -0.02 0.00 0.00 39.34 39.50 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 -1.73 2.98 -1.78 7.72 7.99 -1.26 -1.93 117.00 128.98 1k0t n LEU 68 Ca 0.00 1.02 -0.04 0.00 -0.01 0.00 0.00 56.01 56.98 1k0t n LEU 68 Cb 0.00 -1.30 0.02 0.00 -0.11 0.00 0.00 43.42 42.03 1k0t n LEU 68 CO 0.00 -0.25 0.02 0.61 -1.51 0.00 0.00 177.39 176.26 1k0t n GLY 69 N 4.11 0.29 1.17 -0.72 0.00 -1.26 -4.51 105.19 104.26 1k0t n GLY 69 Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.89 0.48 -0.17 4.61 0.00 -0.81 -4.71 120.51 118.02 1k0t n ALA 70 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 1k0t n ALA 70 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 1k0t n ALA 70 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1k0t h GLU 71 N 0.00 -0.04 -0.50 0.00 4.39 -1.86 -2.87 114.58 113.70 1k0t h GLU 71 Ca 0.00 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.34 1k0t h GLU 71 Cb 0.00 0.01 -0.31 0.00 -0.10 0.00 0.00 28.75 28.35 1k0t h GLU 71 CO 0.00 -0.03 -0.76 0.25 -1.16 0.00 0.00 179.01 177.31 1k0t n THR 72 N -4.06 2.27 -0.09 1.13 -2.24 -1.26 -4.16 114.28 105.86 1k0t n THR 72 Ca 0.00 -3.75 -0.18 0.00 -2.27 0.00 0.00 64.05 57.85 1k0t n THR 72 Cb 0.13 -0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 67.66 1k0t n THR 72 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1k0t n THR 73 N -0.77 1.29 -0.01 4.28 -1.04 -1.09 -4.44 114.28 112.50 1k0t n THR 73 Ca 0.33 -0.13 0.02 0.00 -2.04 0.00 0.00 64.05 62.23 1k0t n THR 73 Cb 0.89 -1.94 -0.05 0.00 -1.82 0.00 0.00 70.33 67.41 1k0t n THR 73 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1k0t n ARG 74 N -4.09 0.87 -0.62 -2.82 1.74 -1.23 -4.50 116.66 106.02 1k0t n ARG 74 Ca -0.32 -0.04 0.09 0.00 -0.77 0.00 0.00 57.85 56.81 1k0t n ARG 74 Cb 0.67 -1.15 0.36 0.00 -1.02 0.00 0.00 32.46 31.32 1k0t n ARG 74 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1k0t n SER 75 N -1.84 4.79 -0.30 0.55 2.88 -1.21 -4.53 113.62 113.97 1k0t n SER 75 Ca -0.03 -2.44 0.11 0.00 -1.33 0.00 0.00 58.87 55.17 1k0t n SER 75 Cb 0.29 -0.59 0.22 0.00 -0.75 0.00 0.00 64.21 63.38 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 1.16 -0.07 0.00 -1.46 2.81 -1.26 -4.17 117.12 114.13 1k0t n MET 76 Ca 0.26 1.29 0.00 0.00 -1.81 0.00 0.00 57.70 57.44 1k0t n MET 76 Cb 0.89 -2.01 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 -1.46 0.00 1.13 3.03 0.00 -1.26 -4.99 105.19 101.65 1k0t n GLY 77 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.81 0.04 0.99 -0.00 -1.26 -4.82 117.00 112.76 1k0t n LEU 78 Ca 0.00 0.14 -0.11 0.00 -0.00 0.00 0.00 56.01 56.04 1k0t n LEU 78 Cb 0.00 -0.22 -0.13 0.00 -0.00 0.00 0.00 43.42 43.07 1k0t n LEU 78 CO 0.00 -0.63 -0.22 0.00 -0.00 0.00 0.00 177.39 176.54 1k0t h ALA 79 N 0.00 0.45 0.00 1.96 0.00 -1.84 -3.52 119.26 116.32 1k0t h ALA 79 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1k0t h ALA 79 Cb 0.17 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1k0t h ALA 79 CO 0.00 1.32 0.00 2.48 0.00 0.00 0.00 179.25 183.05