#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 -1.46 7.33 -0.00 -1.26 -5.09 115.22 114.74 1k0t n HIS 2 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.88 1k0t n HIS 2 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 1k0t n HIS 2 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1k0t n SER 3 N 1.47 -7.77 -1.01 4.39 2.88 -1.26 -4.81 113.62 107.51 1k0t n SER 3 Ca 0.00 1.49 -0.06 0.00 -1.33 0.00 0.00 58.87 58.96 1k0t n SER 3 Cb 0.00 -4.99 -0.06 0.00 -0.75 0.00 0.00 64.21 58.42 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 -4.21 0.00 -1.67 2.46 3.14 -1.26 -4.51 118.33 112.28 1k0t n VAL 4 Ca -0.09 -0.04 -0.50 0.00 -2.96 0.00 0.00 64.34 60.76 1k0t n VAL 4 Cb 0.66 0.47 -0.05 0.00 -1.06 0.00 0.00 33.84 33.86 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 -0.06 1.78 -1.64 1.45 4.76 -1.26 -4.82 118.16 118.37 1k0t n LYS 5 Ca -0.25 0.65 -0.47 0.00 -2.87 0.00 0.00 58.31 55.37 1k0t n LYS 5 Cb 0.66 -2.40 -0.04 0.00 -1.84 0.00 0.00 35.03 31.41 1k0t n LYS 5 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1k0t n ILE 6 N 4.00 0.55 -3.83 -0.18 -0.00 -1.26 -4.95 119.36 113.68 1k0t n ILE 6 Ca 0.21 -0.14 -0.08 0.00 -0.00 0.00 0.00 62.75 62.74 1k0t n ILE 6 Cb 0.24 -1.29 0.01 0.00 -0.00 0.00 0.00 39.64 38.60 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 0.26 0.02 -0.23 4.28 2.02 -1.26 -5.00 117.35 117.43 1k0t s TYR 7 Ca 0.74 -0.60 -0.02 0.00 -0.37 0.00 0.00 57.07 56.82 1k0t s TYR 7 Cb -0.74 0.77 0.06 0.00 -0.40 0.00 0.00 41.96 41.65 1k0t s TYR 7 CO 0.46 -1.43 2.44 -0.40 -1.57 0.00 0.00 175.55 175.05 1k0t n ASP 8 N -1.04 6.04 -4.31 2.29 5.68 -1.26 -4.75 116.55 119.20 1k0t n ASP 8 Ca -0.07 -2.86 -0.46 0.00 -0.50 0.00 0.00 54.79 50.90 1k0t n ASP 8 Cb 0.60 -1.17 -0.03 0.00 -1.14 0.00 0.00 41.12 39.38 1k0t n ASP 8 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1k0t s THR 9 N -1.27 5.44 -0.21 2.12 -1.32 -1.26 -4.97 115.64 114.17 1k0t s THR 9 Ca 0.36 -2.54 -0.09 0.00 -1.21 0.00 0.00 61.69 58.21 1k0t s THR 9 Cb 0.24 -4.37 0.08 0.00 -1.51 0.00 0.00 72.50 66.94 1k0t s THR 9 CO -0.05 -1.02 0.48 0.00 -2.21 0.00 0.00 174.62 171.82 1k0t n ILE 11 N 4.89 0.23 0.00 0.00 -0.00 -1.26 -4.95 119.36 118.28 1k0t n ILE 11 Ca -0.15 -0.36 0.00 0.00 -0.00 0.00 0.00 62.75 62.24 1k0t n ILE 11 Cb 0.52 -0.04 0.00 0.00 -0.00 0.00 0.00 39.64 40.12 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 1.90 0.87 3.77 3.28 0.00 -1.26 -5.12 105.19 108.63 1k0t n GLY 12 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.33 3.63 -3.80 0.00 -2.24 -1.26 -4.98 114.28 104.30 1k0t n THR 14 Ca -0.05 -5.58 -0.12 0.00 -2.27 0.00 0.00 64.05 56.03 1k0t n THR 14 Cb 0.65 -1.77 -0.11 0.00 -2.10 0.00 0.00 70.33 67.00 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 -3.16 0.31 0.00 -0.78 -2.07 -1.26 -4.80 119.66 107.89 1k0t s GLN 15 Ca 0.42 0.19 0.00 0.00 -1.82 0.00 0.00 55.36 54.14 1k0t s GLN 15 Cb 0.19 0.14 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 1k0t s GLN 15 CO -0.06 -0.05 0.00 0.00 -1.32 0.00 0.00 175.29 173.86 1k0t n VAL 17 N -0.81 2.38 0.00 0.00 0.31 -1.26 -4.43 118.33 114.52 1k0t n VAL 17 Ca 0.00 -1.53 0.00 0.00 -0.01 0.00 0.00 64.34 62.80 1k0t n VAL 17 Cb 0.00 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 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 0.30 0.00 -2.07 5.55 3.00 -1.26 -4.84 116.66 117.33 1k0t n ARG 18 Ca 0.25 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.66 1k0t n ARG 18 Cb 1.01 -0.50 0.00 0.00 0.00 0.00 0.00 32.46 32.97 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 -2.95 4.97 -3.28 7.54 0.00 -1.26 -4.71 120.51 120.81 1k0t n ALA 19 Ca 0.00 -3.95 -0.07 0.00 0.00 0.00 0.00 53.44 49.42 1k0t n ALA 19 Cb 0.48 -3.46 -0.04 0.00 0.00 0.00 0.00 19.45 16.43 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 7.40 0.74 0.00 0.00 0.13 -1.93 -2.97 132.00 135.38 1k0t h PRO 21 Ca 0.01 -0.73 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1k0t h PRO 21 Cb 1.12 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1k0t h PRO 21 CO 0.18 1.31 0.00 1.25 -0.23 0.00 0.00 178.00 180.51 1k0t h LEU 22 N 0.45 0.00 -2.42 1.56 5.85 -1.98 -3.46 115.31 115.31 1k0t h LEU 22 Ca -0.10 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1k0t h LEU 22 Cb 1.60 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.64 1k0t h LEU 22 CO 0.19 0.00 -0.03 0.47 -0.34 0.00 0.00 178.44 178.73 1k0t n ASP 23 N -2.78 -7.36 -0.01 1.25 8.00 -1.12 -4.99 116.55 109.53 1k0t n ASP 23 Ca -0.02 -0.09 -0.05 0.00 0.71 0.00 0.00 54.79 55.35 1k0t n ASP 23 Cb 0.10 -5.01 -0.02 0.00 -0.02 0.00 0.00 41.12 36.18 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 -1.76 0.58 -1.56 2.53 0.31 -1.26 -4.95 118.33 112.22 1k0t n VAL 24 Ca -0.00 0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.97 1k0t n VAL 24 Cb 0.50 -1.62 -0.04 0.00 -0.91 0.00 0.00 33.84 31.77 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 -3.37 2.61 0.00 7.52 4.77 -1.26 -4.69 117.00 122.58 1k0t n LEU 25 Ca -0.09 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1k0t n LEU 25 Cb 0.45 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1k0t n LEU 25 CO 0.02 -1.10 0.00 -0.62 -1.33 0.00 0.00 177.39 174.36 1k0t n GLU 26 N 8.81 1.32 -3.27 3.23 1.02 -0.07 -4.89 120.64 126.79 1k0t n GLU 26 Ca 0.36 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 57.11 1k0t n GLU 26 Cb 0.46 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.82 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 -0.10 4.22 0.44 3.49 0.23 -1.26 0.18 119.30 126.49 1k0t s MET 27 Ca 0.00 0.70 0.03 0.00 -1.03 0.00 0.00 55.69 55.39 1k0t s MET 27 Cb 0.00 -3.27 -0.03 0.00 -1.53 0.00 0.00 34.83 30.00 1k0t s MET 27 CO 0.00 0.56 0.06 0.14 -2.03 0.00 0.00 175.02 173.74 1k0t s VAL 28 N -0.81 1.03 -0.32 5.16 -7.23 -0.97 -4.82 120.40 112.44 1k0t s VAL 28 Ca 0.29 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.17 1k0t s VAL 28 Cb -0.19 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1k0t s VAL 28 CO 0.18 0.00 1.36 -2.16 -0.31 0.00 0.00 175.10 174.17 1k0t s PRO 29 N -3.80 3.81 0.30 4.82 0.04 -1.26 -2.39 135.00 136.53 1k0t s PRO 29 Ca 0.18 1.21 0.03 0.00 0.04 0.00 0.00 61.00 62.46 1k0t s PRO 29 Cb 0.03 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 1k0t s PRO 29 CO 0.10 -1.25 0.17 -0.46 0.04 0.00 0.00 177.00 175.60 1k0t s TRP 30 N 4.73 1.60 -0.38 0.56 -0.00 0.24 -4.72 118.94 120.98 1k0t s TRP 30 Ca 0.59 -1.39 0.12 0.00 -0.00 0.00 0.00 56.10 55.41 1k0t s TRP 30 Cb -0.17 -0.84 0.35 0.00 -0.00 0.00 0.00 33.47 32.81 1k0t s TRP 30 CO 0.26 -0.55 0.78 -3.47 -0.00 0.00 0.00 176.95 173.97 1k0t n ASP 31 N -0.97 0.55 0.00 5.86 -0.08 -1.26 -3.79 116.55 116.87 1k0t n ASP 31 Ca 0.01 -3.06 0.00 0.00 -1.51 0.00 0.00 54.79 50.23 1k0t n ASP 31 Cb 0.65 -0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.73 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 0.27 0.07 3.82 0.27 0.00 -1.26 -5.01 105.19 103.35 1k0t n GLY 32 Ca 0.23 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.06 0.00 -0.15 0.00 6.56 -2.00 0.11 116.57 120.03 1k0t h LYS 34 Ca -0.47 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.08 1k0t h LYS 34 Cb 1.28 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.91 1k0t h LYS 34 CO 0.61 0.01 -0.11 0.00 -2.06 0.00 0.00 179.45 177.89 1k0t n ALA 35 N -2.27 3.21 -4.26 3.86 0.00 -1.26 -4.97 120.51 114.81 1k0t n ALA 35 Ca -0.03 -2.80 -0.33 0.00 0.00 0.00 0.00 53.44 50.28 1k0t n ALA 35 Cb 0.09 -0.55 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.07 -0.22 3.00 0.00 0.00 0.39 -4.87 105.19 102.42 1k0t n GLY 36 Ca 0.22 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 -7.34 0.14 -0.29 1.61 1.03 -1.25 -0.59 119.66 112.97 1k0t s GLN 37 Ca 0.06 0.69 -0.11 0.00 0.04 0.00 0.00 55.36 56.05 1k0t s GLN 37 Cb -0.03 -0.07 -0.04 0.00 0.03 0.00 0.00 33.01 32.90 1k0t s GLN 37 CO 0.99 -0.27 0.19 -1.50 -2.54 0.00 0.00 175.29 172.16 1k0t s ILE 38 N 2.22 5.14 -0.46 3.63 1.10 -1.00 -4.64 121.20 127.19 1k0t s ILE 38 Ca -0.00 -0.01 -0.29 0.00 -0.51 0.00 0.00 60.65 59.84 1k0t s ILE 38 Cb -0.12 -3.51 -0.09 0.00 0.15 0.00 0.00 42.46 38.89 1k0t s ILE 38 CO -0.08 0.18 2.36 0.00 -2.11 0.00 0.00 174.94 175.29 1k0t n ALA 39 N 5.05 1.02 -3.76 1.50 0.00 -1.26 -2.30 120.51 120.76 1k0t n ALA 39 Ca -0.14 -0.51 -0.10 0.00 0.00 0.00 0.00 53.44 52.69 1k0t n ALA 39 Cb 0.51 -2.89 -0.02 0.00 0.00 0.00 0.00 19.45 17.05 1k0t n ALA 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k0t n SER 40 N 13.01 -1.06 -4.02 0.00 7.64 0.47 -4.89 113.62 124.77 1k0t n SER 40 Ca 0.40 -2.40 -0.32 0.00 1.01 0.00 0.00 58.87 57.56 1k0t n SER 40 Cb 0.39 1.95 -0.13 0.00 -1.01 0.00 0.00 64.21 65.41 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 -2.61 4.76 -0.08 6.43 0.01 -1.26 -0.89 113.70 120.07 1k0t s SER 41 Ca 0.21 -2.50 -0.22 0.00 1.31 0.00 0.00 55.95 54.75 1k0t s SER 41 Cb -0.01 -1.69 -0.18 0.00 0.21 0.00 0.00 66.02 64.35 1k0t s SER 41 CO 0.15 -0.36 0.83 1.55 0.41 0.00 0.00 173.24 175.82 1k0t h PRO 42 N 7.26 -0.10 -4.12 12.44 0.13 -1.91 -3.38 132.00 142.32 1k0t h PRO 42 Ca -0.06 0.01 -0.77 0.00 -0.87 0.00 0.00 66.00 64.30 1k0t h PRO 42 Cb 0.98 0.02 -0.23 0.00 0.13 0.00 0.00 31.00 31.89 1k0t h PRO 42 CO 0.63 0.47 0.88 1.03 -0.23 0.00 0.00 178.00 180.77 1k0t s ARG 43 N -3.05 4.16 -0.15 0.86 1.81 -1.26 -4.80 118.95 116.53 1k0t s ARG 43 Ca -0.14 -2.93 0.04 0.00 -1.72 0.00 0.00 55.73 50.98 1k0t s ARG 43 Cb -0.00 -4.79 0.33 0.00 -0.45 0.00 0.00 34.95 30.03 1k0t s ARG 43 CO 0.53 -1.49 1.21 2.41 -0.68 0.00 0.00 175.30 177.28 1k0t n THR 44 N 3.58 1.55 -0.14 0.02 -1.04 -1.26 -4.40 114.28 112.59 1k0t n THR 44 Ca 0.30 -0.72 0.28 0.00 -2.04 0.00 0.00 64.05 61.87 1k0t n THR 44 Cb 0.41 -0.57 0.62 0.00 -1.82 0.00 0.00 70.33 68.98 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 1.17 0.00 -2.30 -2.82 4.11 -1.96 -3.19 114.58 109.60 1k0t h GLU 45 Ca 0.12 0.00 -0.41 0.00 0.07 0.00 0.00 59.36 59.15 1k0t h GLU 45 Cb 1.45 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.36 1k0t h GLU 45 CO 0.34 0.00 -0.70 -0.51 0.07 0.00 0.00 179.01 178.21 1k0t s ASP 46 N -4.39 2.13 0.00 3.06 1.01 -1.26 -5.10 116.67 112.12 1k0t s ASP 46 Ca -0.04 -1.18 0.00 0.00 0.71 0.00 0.00 52.55 52.04 1k0t s ASP 46 Cb 0.16 0.23 0.00 0.00 1.01 0.00 0.00 42.92 44.33 1k0t s ASP 46 CO 0.57 -0.37 0.00 0.00 0.21 0.00 0.00 175.17 175.58 1k0t n VAL 48 N -0.24 0.00 -1.90 0.00 3.14 -1.26 -5.00 118.33 113.07 1k0t n VAL 48 Ca 0.00 -0.77 -0.02 0.00 -2.96 0.00 0.00 64.34 60.60 1k0t n VAL 48 Cb 0.00 0.97 -0.01 0.00 -1.06 0.00 0.00 33.84 33.74 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 0.14 -4.30 1.18 7.55 0.00 -1.26 -5.05 105.19 103.45 1k0t n GLY 49 Ca -0.11 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.91 2.73 -1.03 0.00 4.81 -1.26 -5.09 118.16 115.42 1k0t n LYS 51 Ca 0.00 -4.00 0.12 0.00 -0.87 0.00 0.00 58.31 53.57 1k0t n LYS 51 Cb 0.41 -1.94 -0.07 0.00 0.02 0.00 0.00 35.03 33.45 1k0t n LYS 51 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1k0t n ARG 52 N -0.47 -2.36 0.00 1.64 1.74 -1.26 -4.78 116.66 111.16 1k0t n ARG 52 Ca 0.29 1.92 0.00 0.00 -0.77 0.00 0.00 57.85 59.29 1k0t n ARG 52 Cb 0.80 -2.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 1k0t n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k0t n GLU 54 N 0.00 2.48 -2.69 0.00 1.02 -1.26 -4.26 120.64 115.93 1k0t n GLU 54 Ca 0.00 -2.85 -0.02 0.00 -0.02 0.00 0.00 57.16 54.27 1k0t n GLU 54 Cb 0.00 -2.12 0.05 0.00 -0.02 0.00 0.00 31.44 29.34 1k0t n GLU 54 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1k0t n THR 55 N -0.32 1.35 -0.25 2.62 5.66 -1.26 -4.32 114.28 117.76 1k0t n THR 55 Ca 0.52 -2.97 0.05 0.00 -3.05 0.00 0.00 64.05 58.60 1k0t n THR 55 Cb 0.53 1.03 0.16 0.00 -1.55 0.00 0.00 70.33 70.51 1k0t n THR 55 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1k0t h ALA 56 N 2.49 0.82 -1.06 1.79 0.00 -1.80 -3.37 119.26 118.12 1k0t h ALA 56 Ca -0.09 0.22 0.27 0.00 0.00 0.00 0.00 54.91 55.32 1k0t h ALA 56 Cb 1.32 0.37 -0.25 0.00 0.00 0.00 0.00 17.79 19.24 1k0t h ALA 56 CO 0.24 -0.41 0.96 0.00 0.00 0.00 0.00 179.25 180.04 1k0t n PRO 58 N 0.32 2.00 0.00 0.00 -0.04 -1.26 -4.90 135.00 131.11 1k0t n PRO 58 Ca 0.02 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1k0t n PRO 58 Cb 0.58 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 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 3.14 0.00 0.00 0.52 -1.04 -1.26 -4.87 114.28 110.77 1k0t n THR 59 Ca 0.43 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 1k0t n THR 59 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 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 -1.98 0.00 -0.02 8.00 -0.08 -1.26 -4.36 116.55 116.86 1k0t n ASP 60 Ca 0.00 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.25 1k0t n ASP 60 Cb 0.00 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 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 0.00 -2.73 -0.67 3.72 -1.26 -5.00 117.46 111.52 1k0t n PHE 61 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 1k0t n PHE 61 Cb 0.00 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.31 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 -6.84 4.50 -0.49 4.37 2.34 -1.26 -4.94 118.68 116.36 1k0t s LEU 62 Ca -0.11 1.79 -0.01 0.00 0.06 0.00 0.00 54.13 55.87 1k0t s LEU 62 Cb 0.02 -3.59 0.37 0.00 -0.56 0.00 0.00 46.19 42.43 1k0t s LEU 62 CO 0.16 -0.07 1.98 -1.54 -1.06 0.00 0.00 176.35 175.83 1k0t n SER 63 N 2.79 6.63 -3.08 1.48 3.41 -1.26 -4.56 113.62 119.03 1k0t n SER 63 Ca 0.02 -3.43 -0.00 0.00 -0.26 0.00 0.00 58.87 55.20 1k0t n SER 63 Cb 0.49 -0.98 -0.00 0.00 -0.26 0.00 0.00 64.21 63.46 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 -0.42 -4.06 1.42 -1.33 -0.00 -1.26 -4.81 119.36 108.90 1k0t n ILE 64 Ca 0.48 0.77 0.15 0.00 -0.00 0.00 0.00 62.75 64.15 1k0t n ILE 64 Cb 0.74 -3.78 0.75 0.00 -0.00 0.00 0.00 39.64 37.35 1k0t n ILE 64 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1k0t n ARG 65 N 1.28 0.42 -2.45 0.38 3.00 -1.26 -4.99 116.66 113.04 1k0t n ARG 65 Ca -0.01 -0.00 -0.02 0.00 -0.01 0.00 0.00 57.85 57.81 1k0t n ARG 65 Cb 0.37 -1.50 -0.02 0.00 0.00 0.00 0.00 32.46 31.32 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 -1.29-12.21 0.01 1.55 0.31 -1.26 -5.05 118.33 100.40 1k0t n VAL 66 Ca 0.14 2.79 0.00 0.00 -0.01 0.00 0.00 64.34 67.26 1k0t n VAL 66 Cb 0.24 -5.91 0.00 0.00 -0.91 0.00 0.00 33.84 27.27 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 1.85 -0.09 -1.63 3.52 4.02 -1.26 -4.81 117.16 118.76 1k0t n TYR 67 Ca -0.15 0.02 -0.59 0.00 -0.01 0.00 0.00 57.90 57.16 1k0t n TYR 67 Cb 0.23 0.32 -0.08 0.00 -0.02 0.00 0.00 39.34 39.79 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 -2.55 1.15 -3.54 7.72 7.99 -1.26 -1.97 117.00 124.54 1k0t n LEU 68 Ca 0.00 1.14 -0.28 0.00 -0.01 0.00 0.00 56.01 56.86 1k0t n LEU 68 Cb 0.00 -1.02 0.01 0.00 -0.11 0.00 0.00 43.42 42.31 1k0t n LEU 68 CO 0.00 -1.15 -0.24 0.61 -1.51 0.00 0.00 177.39 175.10 1k0t n GLY 69 N 2.90 -0.65 2.01 -0.72 0.00 -1.26 -4.59 105.19 102.88 1k0t n GLY 69 Ca 0.24 0.76 0.00 0.00 0.00 0.00 0.00 46.02 47.02 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 -1.55 0.73 -0.00 4.61 0.00 -0.83 -4.99 120.51 118.48 1k0t n ALA 70 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1k0t n ALA 70 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.56 0.00 -3.74 0.00 1.02 -1.24 -4.91 120.64 109.20 1k0t n GLU 71 Ca 0.00 0.52 -0.28 0.00 -0.02 0.00 0.00 57.16 57.38 1k0t n GLU 71 Cb 0.00 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 29.93 1k0t n GLU 71 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1k0t n THR 72 N -2.04 -3.33 0.00 2.62 -2.24 -1.26 -4.77 114.28 103.26 1k0t n THR 72 Ca 0.00 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1k0t n THR 72 Cb 0.00 -2.99 0.00 0.00 -2.10 0.00 0.00 70.33 65.24 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 -2.11 0.00 -0.03 4.28 5.66 -1.26 -4.78 114.28 116.04 1k0t n THR 73 Ca -0.28 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.70 1k0t n THR 73 Cb 0.69 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.41 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 -2.04 2.02 -0.01 1.09 1.85 -1.26 -4.59 116.66 113.72 1k0t n ARG 74 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1k0t n ARG 74 Cb 0.00 -1.22 0.01 0.00 -1.05 0.00 0.00 32.46 30.19 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 -2.20 1.86 -0.24 2.89 3.41 -1.26 -4.63 113.62 113.45 1k0t n SER 75 Ca -0.11 -1.82 -0.06 0.00 -0.26 0.00 0.00 58.87 56.61 1k0t n SER 75 Cb 0.65 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.54 1k0t n SER 75 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1k0t n MET 76 N -0.36 -0.25 0.00 4.33 0.00 -1.26 -4.76 117.12 114.82 1k0t n MET 76 Ca 0.01 1.12 0.00 0.00 0.00 0.00 0.00 57.70 58.83 1k0t n MET 76 Cb 0.21 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 31.77 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 -1.14 0.00 1.08 -5.12 0.00 -1.26 -4.94 105.19 93.81 1k0t n GLY 77 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 1.07 0.05 0.99 -0.00 -1.26 -4.81 117.00 113.05 1k0t n LEU 78 Ca 0.00 0.15 -0.10 0.00 -0.00 0.00 0.00 56.01 56.06 1k0t n LEU 78 Cb 0.00 -0.31 -0.13 0.00 -0.00 0.00 0.00 43.42 42.98 1k0t n LEU 78 CO 0.00 -0.76 -0.06 0.00 -0.00 0.00 0.00 177.39 176.57 1k0t h ALA 79 N 0.00 0.38 0.00 1.96 0.00 -1.96 -3.54 119.26 116.11 1k0t h ALA 79 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1k0t h ALA 79 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1k0t h ALA 79 CO 0.00 1.26 0.00 2.48 0.00 0.00 0.00 179.25 182.99