#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 -0.35 0.59 0.66 0.00 -1.26 -4.81 115.29 110.12 1k0t s HIS 2 Ca 0.00 0.02 0.00 0.00 -3.00 0.00 0.00 55.06 52.08 1k0t s HIS 2 Cb 0.00 0.63 0.00 0.00 -4.00 0.00 0.00 32.58 29.21 1k0t s HIS 2 CO 0.00 -1.05 0.00 -1.13 -1.00 0.00 0.00 174.74 171.56 1k0t n SER 3 N -0.42 -8.86 -2.67 7.38 3.41 -1.26 -4.73 113.62 106.48 1k0t n SER 3 Ca -0.10 1.69 -0.04 0.00 -0.26 0.00 0.00 58.87 60.16 1k0t n SER 3 Cb 0.62 -5.22 0.06 0.00 -0.26 0.00 0.00 64.21 59.41 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 -1.94 0.00 -2.10 -3.33 3.14 -1.26 -4.18 118.33 108.66 1k0t n VAL 4 Ca 0.00 -0.73 -0.13 0.00 -2.96 0.00 0.00 64.34 60.52 1k0t n VAL 4 Cb 0.30 0.90 0.08 0.00 -1.06 0.00 0.00 33.84 34.06 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 0.04 -0.09 -1.41 1.45 5.02 -1.26 -4.92 118.16 116.99 1k0t n LYS 5 Ca -0.14 -1.32 -0.39 0.00 -2.02 0.00 0.00 58.31 54.44 1k0t n LYS 5 Cb 0.72 -0.48 -0.02 0.00 -0.02 0.00 0.00 35.03 35.22 1k0t n LYS 5 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1k0t n ILE 6 N -2.45 3.24 -4.04 -0.18 -0.00 -1.26 -4.86 119.36 109.81 1k0t n ILE 6 Ca 0.09 -2.47 -0.22 0.00 -0.00 0.00 0.00 62.75 60.15 1k0t n ILE 6 Cb 0.31 -2.51 -0.05 0.00 -0.00 0.00 0.00 39.64 37.39 1k0t n ILE 6 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 1k0t s TYR 7 N 3.32 2.85 -0.33 1.39 1.51 -1.26 -5.01 117.35 119.83 1k0t s TYR 7 Ca 0.54 -0.27 -0.02 0.00 -1.01 0.00 0.00 57.07 56.31 1k0t s TYR 7 Cb 0.15 -1.57 0.17 0.00 -0.11 0.00 0.00 41.96 40.60 1k0t s TYR 7 CO -0.04 0.37 2.19 -0.40 -1.11 0.00 0.00 175.55 176.57 1k0t n ASP 8 N -1.19 6.42 -4.41 2.29 5.75 -1.26 -4.81 116.55 119.34 1k0t n ASP 8 Ca -0.04 -3.06 -0.44 0.00 -0.01 0.00 0.00 54.79 51.23 1k0t n ASP 8 Cb 0.60 -1.10 -0.04 0.00 -1.03 0.00 0.00 41.12 39.55 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 -2.16 4.70 -0.24 2.12 -1.32 -1.26 -4.96 115.64 112.51 1k0t s THR 9 Ca 0.36 -1.05 -0.22 0.00 -1.21 0.00 0.00 61.69 59.57 1k0t s THR 9 Cb 0.27 -4.62 0.06 0.00 -1.51 0.00 0.00 72.50 66.69 1k0t s THR 9 CO -0.04 -1.32 0.64 0.00 -2.21 0.00 0.00 174.62 171.69 1k0t n ILE 11 N 2.74 0.00 0.00 0.00 -6.64 -1.26 -4.94 119.36 109.26 1k0t n ILE 11 Ca -0.14 -0.42 0.00 0.00 -1.77 0.00 0.00 62.75 60.42 1k0t n ILE 11 Cb 0.56 1.01 0.00 0.00 -1.44 0.00 0.00 39.64 39.77 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 0.97 1.07 3.87 3.28 0.00 -1.26 -5.04 105.19 108.08 1k0t n GLY 12 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.39 0.06 -0.04 0.00 5.66 -1.26 -4.88 114.28 110.44 1k0t n THR 14 Ca 0.07 -4.15 -0.08 0.00 -3.05 0.00 0.00 64.05 56.85 1k0t n THR 14 Cb 0.60 -1.91 -0.03 0.00 -1.55 0.00 0.00 70.33 67.44 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 2.01 0.18 -0.08 1.09 10.64 -1.26 -4.49 117.38 125.47 1k0t n GLN 15 Ca 0.26 0.07 0.02 0.00 -1.83 0.00 0.00 57.00 55.51 1k0t n GLN 15 Cb 0.45 -0.89 0.05 0.00 -0.86 0.00 0.00 30.24 29.00 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 -0.10 0.79 0.11 0.00 0.31 -1.26 -4.65 118.33 113.53 1k0t n VAL 17 Ca 0.04 -0.90 0.00 0.00 -0.01 0.00 0.00 64.34 63.47 1k0t n VAL 17 Cb 0.18 0.60 0.00 0.00 -0.91 0.00 0.00 33.84 33.71 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 -0.36 0.00 -0.34 5.55 3.00 -1.04 -4.86 116.66 118.62 1k0t n ARG 18 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1k0t n ARG 18 Cb 0.21 -0.18 0.06 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 h ALA 19 N 0.00 0.25 -0.34 7.54 0.00 -1.71 -3.38 119.26 121.62 1k0t h ALA 19 Ca 0.00 0.28 -0.75 0.00 0.00 0.00 0.00 54.91 54.44 1k0t h ALA 19 Cb 0.01 0.88 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1k0t h ALA 19 CO 0.00 -0.57 1.30 0.00 0.00 0.00 0.00 179.25 179.98 1k0t h PRO 21 N 9.52 0.63 -0.49 0.00 0.13 -1.95 -3.14 132.00 136.71 1k0t h PRO 21 Ca -0.16 -0.61 0.05 0.00 -0.87 0.00 0.00 66.00 64.40 1k0t h PRO 21 Cb 1.39 0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.65 1k0t h PRO 21 CO 1.07 1.22 0.32 1.25 -0.23 0.00 0.00 178.00 181.63 1k0t h LEU 22 N 0.27 0.39 -2.76 1.56 5.85 -1.94 -3.47 115.31 115.21 1k0t h LEU 22 Ca -0.09 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1k0t h LEU 22 Cb 1.47 -0.09 0.04 0.00 0.37 0.00 0.00 40.66 42.45 1k0t h LEU 22 CO 0.16 0.26 -0.18 -0.67 -0.34 0.00 0.00 178.44 177.67 1k0t n ASP 23 N -4.48 -4.08 -0.05 1.25 2.03 -1.19 -5.01 116.55 105.02 1k0t n ASP 23 Ca 0.06 -0.16 -0.11 0.00 0.52 0.00 0.00 54.79 55.10 1k0t n ASP 23 Cb 0.22 -2.55 -0.04 0.00 -0.72 0.00 0.00 41.12 38.03 1k0t n ASP 23 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1k0t n VAL 24 N -1.77 0.60 -1.48 5.18 3.14 -1.26 -4.94 118.33 117.80 1k0t n VAL 24 Ca -0.01 -0.18 -0.44 0.00 -2.96 0.00 0.00 64.34 60.75 1k0t n VAL 24 Cb 0.53 -1.43 -0.09 0.00 -1.06 0.00 0.00 33.84 31.79 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 -3.30 1.49 0.00 6.55 4.32 -1.26 -4.70 117.00 120.10 1k0t n LEU 25 Ca -0.21 0.10 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 1k0t n LEU 25 Cb 0.67 -1.21 0.00 0.00 -1.62 0.00 0.00 43.42 41.25 1k0t n LEU 25 CO 0.04 -0.96 0.00 -0.62 -1.22 0.00 0.00 177.39 174.63 1k0t n GLU 26 N 8.47 2.24 -3.47 3.23 1.02 0.18 -4.80 120.64 127.50 1k0t n GLU 26 Ca 0.49 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 57.26 1k0t n GLU 26 Cb 0.23 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.59 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 -1.18 4.15 0.33 3.49 0.23 -1.26 0.17 119.30 125.23 1k0t s MET 27 Ca 0.00 0.29 0.05 0.00 -1.03 0.00 0.00 55.69 55.00 1k0t s MET 27 Cb 0.00 -3.36 -0.07 0.00 -1.53 0.00 0.00 34.83 29.88 1k0t s MET 27 CO 0.00 0.37 0.02 0.14 -2.03 0.00 0.00 175.02 173.52 1k0t s VAL 28 N -0.01 1.46 -0.24 5.16 -7.23 0.15 -4.84 120.40 114.86 1k0t s VAL 28 Ca 0.22 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.07 1k0t s VAL 28 Cb -0.15 -2.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 1k0t s VAL 28 CO 0.09 -0.07 1.32 -2.16 -0.31 0.00 0.00 175.10 173.96 1k0t s PRO 29 N -3.82 4.03 0.00 4.82 0.04 -1.26 -0.73 135.00 138.08 1k0t s PRO 29 Ca 0.35 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1k0t s PRO 29 Cb 0.08 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1k0t s PRO 29 CO 0.15 -0.97 0.00 1.87 0.04 0.00 0.00 177.00 178.09 1k0t n TRP 30 N 7.29 0.00 0.00 0.56 -0.00 0.11 -4.69 117.44 120.71 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 0.05 5.87 2.03 -1.13 -4.72 116.55 118.65 1k0t n ASP 31 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 1k0t n ASP 31 Cb 0.00 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.57 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 0.00 -0.57 3.85 0.27 0.00 -1.26 -3.84 105.19 103.64 1k0t n GLY 32 Ca 0.00 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 0.80 0.00 -0.11 0.00 3.64 -1.87 0.23 116.57 119.26 1k0t h LYS 34 Ca -0.46 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1k0t h LYS 34 Cb 1.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1k0t h LYS 34 CO 0.62 0.00 -0.10 0.00 -2.27 0.00 0.00 179.45 177.70 1k0t n ALA 35 N -2.43 2.97 -3.70 5.00 0.00 -1.26 -4.95 120.51 116.14 1k0t n ALA 35 Ca 0.02 -2.75 -0.28 0.00 0.00 0.00 0.00 53.44 50.42 1k0t n ALA 35 Cb 0.31 -0.50 -0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -1.13 -0.48 2.82 0.00 0.00 0.80 -4.88 105.19 102.32 1k0t n GLY 36 Ca 0.20 0.12 -0.17 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 -6.38 0.02 -0.01 1.61 1.03 -1.26 0.09 119.66 114.77 1k0t s GLN 37 Ca 0.55 0.54 -0.09 0.00 0.04 0.00 0.00 55.36 56.40 1k0t s GLN 37 Cb -0.29 -0.31 -0.05 0.00 0.03 0.00 0.00 33.01 32.39 1k0t s GLN 37 CO 0.68 -0.32 0.30 -1.50 -2.54 0.00 0.00 175.29 171.91 1k0t s ILE 38 N 2.28 5.24 -0.54 3.63 1.10 0.09 -4.71 121.20 128.29 1k0t s ILE 38 Ca 0.03 0.39 -0.28 0.00 -0.51 0.00 0.00 60.65 60.28 1k0t s ILE 38 Cb -0.12 -3.58 0.02 0.00 0.15 0.00 0.00 42.46 38.93 1k0t s ILE 38 CO -0.06 0.45 1.31 0.00 -2.11 0.00 0.00 174.94 174.54 1k0t s ALA 39 N -1.21 2.94 0.29 1.50 0.00 -1.26 0.35 121.76 124.36 1k0t s ALA 39 Ca 0.25 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 1k0t s ALA 39 Cb -0.14 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 18.95 1k0t s ALA 39 CO 0.13 -2.70 0.39 0.43 0.00 0.00 0.00 175.76 174.01 1k0t n SER 40 N 8.91 -1.07 -4.03 0.00 7.64 0.45 -4.85 113.62 120.67 1k0t n SER 40 Ca 0.12 -2.58 -0.31 0.00 1.01 0.00 0.00 58.87 57.10 1k0t n SER 40 Cb 0.49 2.02 -0.15 0.00 -1.01 0.00 0.00 64.21 65.56 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 -2.79 4.63 -0.08 6.43 0.01 -1.26 0.49 113.70 121.12 1k0t s SER 41 Ca 0.25 -1.85 -0.27 0.00 1.31 0.00 0.00 55.95 55.39 1k0t s SER 41 Cb -0.01 -1.59 -0.22 0.00 0.21 0.00 0.00 66.02 64.41 1k0t s SER 41 CO 0.18 -0.31 0.98 1.55 0.41 0.00 0.00 173.24 176.05 1k0t h PRO 42 N 7.68 -0.02 -4.07 12.44 0.13 -1.92 -3.38 132.00 142.86 1k0t h PRO 42 Ca -0.10 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 64.26 1k0t h PRO 42 Cb 1.03 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.93 1k0t h PRO 42 CO 0.50 0.71 0.83 1.03 -0.23 0.00 0.00 178.00 180.83 1k0t s ARG 43 N -3.17 4.15 -0.13 0.86 1.81 -1.26 -4.81 118.95 116.39 1k0t s ARG 43 Ca -0.17 -2.94 0.03 0.00 -1.72 0.00 0.00 55.73 50.93 1k0t s ARG 43 Cb -0.01 -4.77 0.27 0.00 -0.45 0.00 0.00 34.95 29.99 1k0t s ARG 43 CO 0.66 -1.46 1.19 2.41 -0.68 0.00 0.00 175.30 177.42 1k0t n THR 44 N 3.53 1.51 0.25 0.02 -1.04 -1.26 -4.35 114.28 112.93 1k0t n THR 44 Ca 0.29 -0.63 0.15 0.00 -2.04 0.00 0.00 64.05 61.82 1k0t n THR 44 Cb 0.41 -0.66 0.69 0.00 -1.82 0.00 0.00 70.33 68.94 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 0.78 0.00 -1.62 -2.82 4.11 -1.96 -3.21 114.58 109.86 1k0t h GLU 45 Ca 0.14 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.31 1k0t h GLU 45 Cb 1.44 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.42 1k0t h GLU 45 CO 0.32 0.00 -0.61 -0.51 0.07 0.00 0.00 179.01 178.28 1k0t s ASP 46 N -4.42 0.21 -0.08 3.06 1.01 -1.26 -5.13 116.67 110.06 1k0t s ASP 46 Ca -0.03 -1.32 -0.32 0.00 0.71 0.00 0.00 52.55 51.58 1k0t s ASP 46 Cb 0.10 1.05 0.13 0.00 1.01 0.00 0.00 42.92 45.21 1k0t s ASP 46 CO 0.32 -0.22 1.31 0.00 0.21 0.00 0.00 175.17 176.78 1k0t n VAL 48 N -0.38 0.00 0.11 0.00 3.14 -1.26 -4.80 118.33 115.13 1k0t n VAL 48 Ca -0.06 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.33 1k0t n VAL 48 Cb 0.62 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 33.46 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 -0.42 -0.60 3.02 7.55 0.00 -1.26 -4.27 105.19 109.21 1k0t n GLY 49 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 4.76 3.96 -0.10 0.00 2.85 -1.26 -4.42 118.16 123.95 1k0t n LYS 51 Ca -0.17 -3.41 -0.22 0.00 -1.05 0.00 0.00 58.31 53.46 1k0t n LYS 51 Cb 0.50 -2.82 -0.08 0.00 -0.65 0.00 0.00 35.03 31.98 1k0t n LYS 51 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1k0t n ARG 52 N 3.14 0.44 0.00 -1.58 5.12 -1.26 -4.71 116.66 117.81 1k0t n ARG 52 Ca 0.50 0.19 0.00 0.00 -1.93 0.00 0.00 57.85 56.61 1k0t n ARG 52 Cb 0.31 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 30.37 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 -2.56 -0.86 0.00 0.00 1.02 -1.26 -4.70 120.64 112.28 1k0t n GLU 54 Ca 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1k0t n GLU 54 Cb 0.00 -3.55 0.00 0.00 -0.02 0.00 0.00 31.44 27.87 1k0t n GLU 54 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1k0t n THR 55 N -3.93 0.00 0.00 2.62 -2.24 -1.26 -2.35 114.28 107.12 1k0t n THR 55 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1k0t n THR 55 Cb 0.52 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.52 0.00 0.00 6.98 0.00 -1.26 -3.27 120.51 121.44 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 -0.31 2.10 0.00 0.00 -0.04 -1.26 -4.49 135.00 131.00 1k0t n PRO 58 Ca 0.00 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1k0t n PRO 58 Cb 0.00 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 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 3.25 0.00 0.00 0.52 -1.04 -1.26 -4.85 114.28 110.89 1k0t n THR 59 Ca 0.45 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 1k0t n THR 59 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 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 -2.73 0.00 -0.10 8.00 -0.08 -1.26 -4.41 116.55 115.97 1k0t n ASP 60 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 1k0t n ASP 60 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 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 0.00 0.13 -1.99 -0.67 3.72 -1.26 -4.94 117.46 112.44 1k0t n PHE 61 Ca 0.00 0.05 -0.42 0.00 -0.05 0.00 0.00 57.45 57.04 1k0t n PHE 61 Cb 0.00 -0.62 -0.03 0.00 -0.94 0.00 0.00 39.48 37.89 1k0t n PHE 61 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1k0t s LEU 62 N -7.88 4.38 -0.32 4.37 1.43 -1.26 -4.88 118.68 114.51 1k0t s LEU 62 Ca -0.29 2.64 -0.00 0.00 -1.03 0.00 0.00 54.13 55.45 1k0t s LEU 62 Cb 0.06 -3.61 0.27 0.00 0.03 0.00 0.00 46.19 42.93 1k0t s LEU 62 CO 0.42 -0.74 1.87 -1.20 0.23 0.00 0.00 176.35 176.93 1k0t n SER 63 N 2.89 5.71 -2.64 2.29 7.64 -1.26 -4.84 113.62 123.40 1k0t n SER 63 Ca 0.09 -3.06 -0.21 0.00 1.01 0.00 0.00 58.87 56.70 1k0t n SER 63 Cb 0.40 -0.95 0.02 0.00 -1.01 0.00 0.00 64.21 62.67 1k0t n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k0t n ILE 64 N 0.05 -2.33 -0.47 0.44 0.13 -1.26 -4.78 119.36 111.13 1k0t n ILE 64 Ca 0.33 0.12 0.01 0.00 -1.10 0.00 0.00 62.75 62.11 1k0t n ILE 64 Cb 0.74 -2.33 0.28 0.00 -0.84 0.00 0.00 39.64 37.49 1k0t n ILE 64 CO 0.00 0.00 0.00 -1.14 2.80 0.00 0.00 176.55 178.21 1k0t n ARG 65 N 0.16 3.61 -3.25 9.51 0.63 -1.26 -4.97 116.66 121.10 1k0t n ARG 65 Ca -0.05 -2.36 -0.08 0.00 -0.92 0.00 0.00 57.85 54.44 1k0t n ARG 65 Cb 0.44 -2.05 0.01 0.00 0.45 0.00 0.00 32.46 31.31 1k0t n ARG 65 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1k0t n VAL 66 N 0.26 -2.36 0.00 5.15 0.24 -1.26 -4.97 118.33 115.40 1k0t n VAL 66 Ca 0.25 0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.96 1k0t n VAL 66 Cb 1.04 -3.09 0.00 0.00 -1.47 0.00 0.00 33.84 30.32 1k0t n VAL 66 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1k0t n TYR 67 N 0.99 0.00 -1.60 6.34 4.01 -1.26 -4.46 117.16 121.18 1k0t n TYR 67 Ca -0.02 0.00 -0.50 0.00 -0.16 0.00 0.00 57.90 57.22 1k0t n TYR 67 Cb 0.54 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.52 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 -2.19 1.81 -4.09 7.72 7.99 -1.26 -1.44 117.00 125.54 1k0t n LEU 68 Ca 0.00 1.13 -0.38 0.00 -0.01 0.00 0.00 56.01 56.74 1k0t n LEU 68 Cb 0.00 -1.23 -0.02 0.00 -0.11 0.00 0.00 43.42 42.06 1k0t n LEU 68 CO 0.00 -1.04 -0.24 0.61 -1.51 0.00 0.00 177.39 175.20 1k0t n GLY 69 N 2.40 -0.54 0.93 -0.72 0.00 -1.26 -4.70 105.19 101.30 1k0t n GLY 69 Ca 0.17 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -4.54 1.44 -1.00 4.61 0.00 -0.52 -5.12 120.51 115.38 1k0t n ALA 70 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1k0t n ALA 70 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1k0t n ALA 70 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1k0t n GLU 71 N -1.97 1.27 -1.34 0.00 -0.58 -1.05 -3.81 120.64 113.16 1k0t n GLU 71 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 1k0t n GLU 71 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 1k0t n GLU 71 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1k0t n THR 72 N -0.89 -0.01 -0.01 2.62 5.66 -1.22 -4.63 114.28 115.79 1k0t n THR 72 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1k0t n THR 72 Cb 0.00 -1.05 -0.02 0.00 -1.55 0.00 0.00 70.33 67.71 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 -1.76 0.17 0.05 1.09 5.66 -1.25 -3.08 114.28 115.16 1k0t n THR 73 Ca -0.11 -0.10 -0.03 0.00 -3.05 0.00 0.00 64.05 60.76 1k0t n THR 73 Cb 0.36 -0.89 0.21 0.00 -1.55 0.00 0.00 70.33 68.47 1k0t n THR 73 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 1k0t h ARG 74 N 0.00 0.37 0.00 1.09 2.47 -1.84 -3.25 114.38 113.22 1k0t h ARG 74 Ca -0.07 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1k0t h ARG 74 Cb 1.14 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1k0t h ARG 74 CO 0.00 0.66 0.00 0.43 0.56 0.00 0.00 179.97 181.62 1k0t n SER 75 N -4.08 1.01 0.00 7.04 7.64 -1.26 -4.98 113.62 118.99 1k0t n SER 75 Ca -0.01 -1.51 0.00 0.00 1.01 0.00 0.00 58.87 58.36 1k0t n SER 75 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1k0t n SER 75 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1k0t n MET 76 N -0.25 0.00 0.00 1.43 1.56 -1.18 -1.80 117.12 116.88 1k0t n MET 76 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1k0t n MET 76 Cb 0.37 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.74 1k0t n MET 76 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1k0t n GLY 77 N 0.00 0.00 0.08 -5.12 0.00 -1.26 -4.42 105.19 94.47 1k0t n GLY 77 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 2.19 0.09 0.99 -0.00 -0.75 -4.98 117.00 114.54 1k0t n LEU 78 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 1k0t n LEU 78 Cb 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.06 1k0t n LEU 78 CO 0.00 0.67 0.00 0.00 -0.00 0.00 0.00 177.39 178.06 1k0t n ALA 79 N -2.87 0.61 1.96 1.96 0.00 -1.26 -5.14 120.51 115.77 1k0t n ALA 79 Ca -0.28 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.31 1k0t n ALA 79 Cb 0.86 0.00 0.93 0.00 0.00 0.00 0.00 19.45 21.24 1k0t n ALA 79 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16