#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 -1.31 0.62 0.66 3.76 -1.26 -4.89 115.29 112.87 1k0t s HIS 2 Ca 0.00 2.00 0.00 0.00 -0.15 0.00 0.00 55.06 56.91 1k0t s HIS 2 Cb 0.00 0.68 0.00 0.00 1.11 0.00 0.00 32.58 34.37 1k0t s HIS 2 CO 0.00 -0.67 0.00 0.45 -0.85 0.00 0.00 174.74 173.67 1k0t n SER 3 N 5.39 -8.32 -2.82 1.40 2.88 -1.26 -4.68 113.62 106.22 1k0t n SER 3 Ca -0.09 1.71 -0.01 0.00 -1.33 0.00 0.00 58.87 59.16 1k0t n SER 3 Cb 0.50 -5.17 0.06 0.00 -0.75 0.00 0.00 64.21 58.85 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 -3.54 1.14 -0.71 2.46 3.14 -1.26 -4.76 118.33 114.79 1k0t n VAL 4 Ca -0.05 -2.75 -0.24 0.00 -2.96 0.00 0.00 64.34 58.34 1k0t n VAL 4 Cb 0.60 1.25 0.21 0.00 -1.06 0.00 0.00 33.84 34.84 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 -0.66 -3.20 -2.79 1.45 4.76 -1.26 -4.88 118.16 111.57 1k0t n LYS 5 Ca 0.05 -1.33 -0.43 0.00 -2.87 0.00 0.00 58.31 53.73 1k0t n LYS 5 Cb 0.81 -1.37 -0.04 0.00 -1.84 0.00 0.00 35.03 32.59 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 -2.38 4.56 0.10 -0.18 1.09 -1.26 -4.79 121.20 118.34 1k0t s ILE 6 Ca 0.56 1.18 -0.15 0.00 -1.10 0.00 0.00 60.65 61.14 1k0t s ILE 6 Cb -0.07 -4.36 0.03 0.00 -1.06 0.00 0.00 42.46 37.01 1k0t s ILE 6 CO 0.44 -0.58 0.37 -0.31 -0.10 0.00 0.00 174.94 174.76 1k0t s TYR 7 N 3.54 -0.16 -0.24 3.97 2.02 -1.26 -5.03 117.35 120.19 1k0t s TYR 7 Ca 0.39 -0.11 -0.02 0.00 -0.37 0.00 0.00 57.07 56.96 1k0t s TYR 7 Cb -0.12 0.19 0.10 0.00 -0.40 0.00 0.00 41.96 41.74 1k0t s TYR 7 CO 0.20 -0.64 2.26 -0.40 -1.57 0.00 0.00 175.55 175.39 1k0t n ASP 8 N -0.01 6.12 -4.48 2.29 5.75 -1.26 -4.76 116.55 120.19 1k0t n ASP 8 Ca -0.17 -2.89 -0.43 0.00 -0.01 0.00 0.00 54.79 51.29 1k0t n ASP 8 Cb 0.63 -1.13 -0.02 0.00 -1.03 0.00 0.00 41.12 39.56 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 -1.49 4.55 -0.20 2.12 -1.32 -1.26 -4.91 115.64 113.13 1k0t s THR 9 Ca 0.31 -1.55 -0.09 0.00 -1.21 0.00 0.00 61.69 59.14 1k0t s THR 9 Cb 0.21 -4.88 0.08 0.00 -1.51 0.00 0.00 72.50 66.40 1k0t s THR 9 CO -0.03 -1.65 0.47 0.00 -2.21 0.00 0.00 174.62 171.20 1k0t n ILE 11 N 4.73 0.00 0.00 0.00 -0.00 -1.26 -4.98 119.36 117.85 1k0t n ILE 11 Ca -0.17 -0.25 0.00 0.00 -0.00 0.00 0.00 62.75 62.33 1k0t n ILE 11 Cb 0.53 0.62 0.00 0.00 -0.00 0.00 0.00 39.64 40.79 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 1.56 0.99 3.77 3.28 0.00 -1.26 -5.15 105.19 108.38 1k0t n GLY 12 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.32 3.39 -4.26 0.00 5.66 -1.26 -4.98 114.28 111.51 1k0t n THR 14 Ca -0.00 -5.32 -0.17 0.00 -3.05 0.00 0.00 64.05 55.51 1k0t n THR 14 Cb 0.64 -1.37 -0.14 0.00 -1.55 0.00 0.00 70.33 67.92 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 -3.69 0.67 0.00 1.09 -2.07 -1.26 -4.76 119.66 109.63 1k0t s GLN 15 Ca 0.47 -0.46 0.00 0.00 -1.82 0.00 0.00 55.36 53.55 1k0t s GLN 15 Cb 0.32 -0.61 0.00 0.00 -1.09 0.00 0.00 33.01 31.63 1k0t s GLN 15 CO -0.18 0.16 0.00 0.00 -1.32 0.00 0.00 175.29 173.94 1k0t n VAL 17 N 0.00 2.27 0.03 0.00 0.31 -1.26 -4.03 118.33 115.65 1k0t n VAL 17 Ca 0.00 -1.11 0.00 0.00 -0.01 0.00 0.00 64.34 63.22 1k0t n VAL 17 Cb 0.00 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 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 -0.44 0.00 -2.58 5.55 3.00 -1.26 -4.96 116.66 115.96 1k0t n ARG 18 Ca 0.34 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.77 1k0t n ARG 18 Cb 1.17 -0.25 -0.03 0.00 0.00 0.00 0.00 32.46 33.36 1k0t n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k0t s ALA 19 N -2.00 2.76 0.00 7.54 0.00 -1.26 -4.75 121.76 124.06 1k0t s ALA 19 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 49.85 1k0t s ALA 19 Cb 0.00 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.68 1k0t s ALA 19 CO 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 175.76 172.25 1k0t h PRO 21 N 0.00 0.69 0.00 0.00 0.13 -1.98 -3.41 132.00 127.43 1k0t h PRO 21 Ca 0.00 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1k0t h PRO 21 Cb 0.00 0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.30 1k0t h PRO 21 CO 0.00 1.26 0.00 1.28 -0.23 0.00 0.00 178.00 180.31 1k0t n LEU 22 N -3.87 0.00 0.00 1.56 7.99 -1.26 -4.95 117.00 116.47 1k0t n LEU 22 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.91 1k0t n LEU 22 Cb 0.83 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.14 1k0t n LEU 22 CO 0.54 0.00 0.00 -0.90 -1.51 0.00 0.00 177.39 175.52 1k0t n ASP 23 N 0.00 0.00 -3.85 -1.43 5.68 -1.26 -5.07 116.55 110.62 1k0t n ASP 23 Ca 0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 53.96 1k0t n ASP 23 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 1k0t n ASP 23 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1k0t n VAL 24 N 0.00 2.91 0.00 2.12 0.31 -1.26 -4.71 118.33 117.69 1k0t n VAL 24 Ca 0.00 -5.22 0.00 0.00 -0.01 0.00 0.00 64.34 59.11 1k0t n VAL 24 Cb 0.00 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 30.71 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 1.67 0.00 0.00 7.52 4.77 -1.26 -4.76 117.00 124.94 1k0t n LEU 25 Ca 0.24 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1k0t n LEU 25 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1k0t n LEU 25 CO 0.41 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.85 1k0t n GLU 26 N 0.00 2.23 -3.12 3.23 1.02 0.12 -4.82 120.64 119.31 1k0t n GLU 26 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 1k0t n GLU 26 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1k0t n GLU 26 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1k0t s MET 27 N -1.63 4.39 0.27 3.49 -1.94 -1.26 0.20 119.30 122.83 1k0t s MET 27 Ca 0.00 0.95 0.02 0.00 -1.71 0.00 0.00 55.69 54.95 1k0t s MET 27 Cb 0.00 -3.25 -0.05 0.00 2.01 0.00 0.00 34.83 33.53 1k0t s MET 27 CO 0.00 0.59 0.09 0.14 -0.01 0.00 0.00 175.02 175.83 1k0t s VAL 28 N -1.09 0.70 -0.28 -6.03 -7.23 0.10 -4.80 120.40 101.78 1k0t s VAL 28 Ca 0.33 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 1k0t s VAL 28 Cb -0.21 -2.66 -0.00 0.00 0.56 0.00 0.00 36.38 34.06 1k0t s VAL 28 CO 0.23 -0.01 1.34 -2.16 -0.31 0.00 0.00 175.10 174.18 1k0t s PRO 29 N -4.00 3.93 0.00 4.82 0.04 -1.26 -1.21 135.00 137.32 1k0t s PRO 29 Ca 0.37 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1k0t s PRO 29 Cb 0.08 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1k0t s PRO 29 CO 0.14 -1.10 0.00 1.87 0.04 0.00 0.00 177.00 177.95 1k0t n TRP 30 N 7.63 0.00 0.00 0.56 -0.00 0.95 -4.73 117.44 121.85 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 0.10 5.87 2.03 -1.16 -4.71 116.55 118.68 1k0t n ASP 31 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 1k0t n ASP 31 Cb 0.00 0.00 0.31 0.00 -0.72 0.00 0.00 41.12 40.71 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 -0.66 3.85 0.27 0.00 -1.26 -3.96 105.19 103.43 1k0t n GLY 32 Ca 0.00 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 1.24 0.00 -0.17 0.00 6.56 -1.88 0.31 116.57 122.63 1k0t h LYS 34 Ca -0.47 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 1k0t h LYS 34 Cb 1.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1k0t h LYS 34 CO 0.62 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 178.01 1k0t n ALA 35 N -2.29 2.51 -3.34 3.86 0.00 -1.26 -4.96 120.51 115.03 1k0t n ALA 35 Ca -0.01 -1.99 -0.24 0.00 0.00 0.00 0.00 53.44 51.20 1k0t n ALA 35 Cb 0.17 -0.47 0.02 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.55 -0.50 2.86 0.00 0.00 0.11 -4.90 105.19 102.21 1k0t n GLY 36 Ca 0.15 0.13 -0.16 0.00 0.00 0.00 0.00 46.02 46.14 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 -6.02 0.05 0.00 1.61 1.03 -1.26 -0.04 119.66 115.04 1k0t s GLN 37 Ca 0.42 0.52 -0.01 0.00 0.04 0.00 0.00 55.36 56.33 1k0t s GLN 37 Cb -0.21 -0.24 -0.04 0.00 0.03 0.00 0.00 33.01 32.55 1k0t s GLN 37 CO 0.51 -0.27 0.11 -1.50 -2.54 0.00 0.00 175.29 171.61 1k0t s ILE 38 N 2.02 4.94 -0.50 3.63 2.07 -0.35 -4.71 121.20 128.30 1k0t s ILE 38 Ca 0.00 -0.37 -0.28 0.00 -1.41 0.00 0.00 60.65 58.59 1k0t s ILE 38 Cb -0.12 -3.29 0.02 0.00 0.13 0.00 0.00 42.46 39.20 1k0t s ILE 38 CO -0.06 0.31 1.36 0.00 -1.91 0.00 0.00 174.94 174.65 1k0t s ALA 39 N -1.26 2.95 0.32 1.50 0.00 -1.26 0.02 121.76 124.03 1k0t s ALA 39 Ca 0.25 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 1k0t s ALA 39 Cb -0.12 -4.01 -0.01 0.00 0.00 0.00 0.00 23.12 18.98 1k0t s ALA 39 CO 0.17 -2.64 0.41 -1.12 0.00 0.00 0.00 175.76 172.58 1k0t s SER 40 N 3.90 0.90 -0.47 0.00 0.01 0.54 -4.85 113.70 113.73 1k0t s SER 40 Ca 0.54 -1.48 -0.01 0.00 1.31 0.00 0.00 55.95 56.31 1k0t s SER 40 Cb -0.11 0.61 0.13 0.00 0.21 0.00 0.00 66.02 66.86 1k0t s SER 40 CO 0.29 -1.20 0.25 -0.94 0.41 0.00 0.00 173.24 172.04 1k0t s SER 41 N -3.24 5.04 -0.06 2.44 1.04 -1.26 0.15 113.70 117.81 1k0t s SER 41 Ca 0.32 -2.41 -0.10 0.00 0.48 0.00 0.00 55.95 54.24 1k0t s SER 41 Cb 0.01 -1.78 -0.06 0.00 0.10 0.00 0.00 66.02 64.29 1k0t s SER 41 CO 0.20 -0.43 0.43 1.55 0.98 0.00 0.00 173.24 175.97 1k0t h PRO 42 N 7.49 -0.31 -4.26 4.02 0.13 -1.92 -3.39 132.00 133.75 1k0t h PRO 42 Ca -0.08 0.02 -0.76 0.00 -0.87 0.00 0.00 66.00 64.31 1k0t h PRO 42 Cb 1.00 0.07 -0.22 0.00 0.13 0.00 0.00 31.00 31.98 1k0t h PRO 42 CO 0.67 -0.17 0.94 1.03 -0.23 0.00 0.00 178.00 180.24 1k0t s ARG 43 N -2.69 4.11 -0.21 0.86 1.81 -1.26 -4.81 118.95 116.75 1k0t s ARG 43 Ca -0.06 -2.81 0.02 0.00 -1.72 0.00 0.00 55.73 51.16 1k0t s ARG 43 Cb 0.00 -4.84 0.31 0.00 -0.45 0.00 0.00 34.95 29.98 1k0t s ARG 43 CO 0.18 -1.54 1.43 2.41 -0.68 0.00 0.00 175.30 177.10 1k0t n THR 44 N 3.85 2.04 0.30 0.02 -1.04 -1.26 -4.25 114.28 113.94 1k0t n THR 44 Ca 0.30 -0.90 0.19 0.00 -2.04 0.00 0.00 64.05 61.61 1k0t n THR 44 Cb 0.42 -0.75 0.90 0.00 -1.82 0.00 0.00 70.33 69.07 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 0.47 0.00 -4.85 -2.82 4.11 -1.94 -3.38 114.58 106.17 1k0t h GLU 45 Ca 0.30 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 59.05 1k0t h GLU 45 Cb 1.88 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.79 1k0t h GLU 45 CO 0.52 0.00 -0.75 -0.51 0.07 0.00 0.00 179.01 178.34 1k0t s ASP 46 N -5.40 4.50 0.00 3.06 1.01 -1.26 -5.00 116.67 113.58 1k0t s ASP 46 Ca -0.01 -1.15 0.00 0.00 0.71 0.00 0.00 52.55 52.10 1k0t s ASP 46 Cb 0.10 -1.64 0.00 0.00 1.01 0.00 0.00 42.92 42.39 1k0t s ASP 46 CO 0.48 -0.19 0.00 0.00 0.21 0.00 0.00 175.17 175.67 1k0t n VAL 48 N 0.00 3.16 -3.64 0.00 3.14 -1.26 -4.91 118.33 114.83 1k0t n VAL 48 Ca 0.00 -4.67 -0.21 0.00 -2.96 0.00 0.00 64.34 56.50 1k0t n VAL 48 Cb 0.00 -1.27 0.01 0.00 -1.06 0.00 0.00 33.84 31.52 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 -0.49 -1.23 3.72 7.55 0.00 -1.26 -4.91 105.19 108.56 1k0t n GLY 49 Ca 0.47 0.54 -0.39 0.00 0.00 0.00 0.00 46.02 46.64 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 3.75 0.31 -2.28 0.00 2.85 -1.26 -4.64 118.16 116.89 1k0t n LYS 51 Ca -0.05 -0.13 0.01 0.00 -1.05 0.00 0.00 58.31 57.09 1k0t n LYS 51 Cb 0.51 -2.12 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 1k0t n LYS 51 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1k0t n ARG 52 N 7.86 0.00 -4.21 -1.58 0.63 -1.26 -5.00 116.66 113.10 1k0t n ARG 52 Ca 0.58 -0.07 -0.32 0.00 -0.92 0.00 0.00 57.85 57.12 1k0t n ARG 52 Cb 0.23 0.14 -0.05 0.00 0.45 0.00 0.00 32.46 33.22 1k0t n ARG 52 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1k0t n GLU 54 N -4.41 3.57 -2.72 0.00 0.28 -1.26 -4.48 120.64 111.62 1k0t n GLU 54 Ca -0.16 -4.01 -0.05 0.00 -0.16 0.00 0.00 57.16 52.78 1k0t n GLU 54 Cb 0.61 -2.32 0.08 0.00 1.43 0.00 0.00 31.44 31.24 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 -0.39 0.61 -1.01 3.84 5.66 -1.26 -4.86 114.28 116.87 1k0t n THR 55 Ca 0.49 -2.21 -0.35 0.00 -3.05 0.00 0.00 64.05 58.93 1k0t n THR 55 Cb 0.30 0.98 0.08 0.00 -1.55 0.00 0.00 70.33 70.13 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 -0.64 -3.13 -1.28 1.79 0.00 -1.26 -4.10 120.51 111.90 1k0t n ALA 56 Ca -0.00 -0.49 -0.39 0.00 0.00 0.00 0.00 53.44 52.56 1k0t n ALA 56 Cb 0.83 -1.61 0.02 0.00 0.00 0.00 0.00 19.45 18.69 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 1.26 2.36 0.00 0.00 -0.04 -1.26 -4.13 135.00 133.19 1k0t n PRO 58 Ca 0.08 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 1k0t n PRO 58 Cb 0.47 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 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 3.50 0.00 0.00 0.52 -1.04 -1.26 -4.87 114.28 111.13 1k0t n THR 59 Ca 0.50 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 1k0t n THR 59 Cb 0.34 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 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 -2.06 0.00 -0.01 8.00 2.03 -1.26 -4.26 116.55 118.99 1k0t n ASP 60 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 1k0t n ASP 60 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 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 0.00 -0.67 3.72 -1.26 -5.05 117.46 114.20 1k0t n PHE 61 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1k0t n PHE 61 Cb 0.00 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 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 -3.73 0.00 -0.87 4.37 4.77 -1.26 -4.67 117.00 115.62 1k0t n LEU 62 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1k0t n LEU 62 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1k0t n LEU 62 CO 0.06 -1.17 0.00 -0.24 -1.33 0.00 0.00 177.39 174.71 1k0t n SER 63 N -1.76 -1.95 0.00 -1.43 2.88 -1.26 -4.92 113.62 105.18 1k0t n SER 63 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1k0t n SER 63 Cb 0.00 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1k0t n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k0t n ILE 64 N -1.30 0.00 -4.14 2.46 0.00 -1.26 -5.10 119.36 110.02 1k0t n ILE 64 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 62.75 62.66 1k0t n ILE 64 Cb 0.49 -0.51 -0.10 0.00 0.00 0.00 0.00 39.64 39.52 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 -1.81 0.87 0.04 9.51 1.81 -1.26 -5.16 118.95 122.93 1k0t s ARG 65 Ca 0.00 -1.40 0.07 0.00 -1.72 0.00 0.00 55.73 52.68 1k0t s ARG 65 Cb 0.00 0.22 -0.03 0.00 -0.45 0.00 0.00 34.95 34.69 1k0t s ARG 65 CO 0.00 -0.22 -0.17 0.54 -0.68 0.00 0.00 175.30 174.77 1k0t s VAL 66 N -4.01 2.88 0.00 3.52 0.11 -1.26 -4.40 120.40 117.23 1k0t s VAL 66 Ca 0.21 -1.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.12 1k0t s VAL 66 Cb 0.08 -2.21 0.00 0.00 -1.53 0.00 0.00 36.38 32.71 1k0t s VAL 66 CO -0.01 0.35 0.00 -1.22 -3.33 0.00 0.00 175.10 170.89 1k0t n TYR 67 N 1.57 -0.78 0.13 1.54 4.02 -1.26 -4.88 117.16 117.50 1k0t n TYR 67 Ca -0.16 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.59 1k0t n TYR 67 Cb 0.52 0.21 -0.07 0.00 -0.02 0.00 0.00 39.34 39.98 1k0t n TYR 67 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1k0t h LEU 68 N 0.00 -1.15 -6.47 7.72 3.38 -1.90 -3.18 115.31 113.72 1k0t h LEU 68 Ca 0.00 0.13 -0.69 0.00 0.09 0.00 0.00 57.88 57.41 1k0t h LEU 68 Cb 0.00 0.43 -0.36 0.00 0.09 0.00 0.00 40.66 40.82 1k0t h LEU 68 CO 0.00 -0.48 0.00 0.61 0.09 0.00 0.00 178.44 178.67 1k0t n GLY 69 N -1.46 5.01 1.91 0.83 0.00 -1.26 -4.57 105.19 105.65 1k0t n GLY 69 Ca -0.07 -2.73 0.00 0.00 0.00 0.00 0.00 46.02 43.22 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 1.00 3.00 0.11 4.61 0.00 -1.20 -4.95 120.51 123.09 1k0t n ALA 70 Ca 0.29 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.63 1k0t n ALA 70 Cb 0.37 0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.34 -6.59 0.00 5.08 -1.83 -3.46 114.58 107.43 1k0t h GLU 71 Ca 0.00 0.02 -0.48 0.00 -1.00 0.00 0.00 59.36 57.90 1k0t h GLU 71 Cb 0.00 0.08 -0.27 0.00 0.50 0.00 0.00 28.75 29.06 1k0t h GLU 71 CO 0.00 -0.03 -0.70 -2.37 -1.00 0.00 0.00 179.01 174.91 1k0t n THR 72 N -5.02 -0.22 -0.08 1.13 5.66 -1.26 -4.77 114.28 109.72 1k0t n THR 72 Ca -0.07 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.78 1k0t n THR 72 Cb 0.24 -0.69 -0.14 0.00 -1.55 0.00 0.00 70.33 68.20 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 -3.81 1.54 0.76 1.09 5.66 -1.26 -2.30 114.28 115.96 1k0t n THR 73 Ca 0.08 -0.70 0.12 0.00 -3.05 0.00 0.00 64.05 60.50 1k0t n THR 73 Cb 0.47 -1.16 0.50 0.00 -1.55 0.00 0.00 70.33 68.59 1k0t n THR 73 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1k0t n ARG 74 N -3.13 0.06 -0.92 1.09 1.74 -1.26 -3.07 116.66 111.17 1k0t n ARG 74 Ca -0.35 0.14 0.04 0.00 -0.77 0.00 0.00 57.85 56.90 1k0t n ARG 74 Cb 1.06 -1.59 0.06 0.00 -1.02 0.00 0.00 32.46 30.97 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 -1.70 0.96 -0.28 0.55 2.88 -1.26 -4.84 113.62 109.93 1k0t n SER 75 Ca 0.05 -2.41 0.26 0.00 -1.33 0.00 0.00 58.87 55.44 1k0t n SER 75 Cb 0.30 -0.32 0.46 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.10 -0.04 0.00 -1.46 2.81 -0.97 -4.61 117.12 112.76 1k0t n MET 76 Ca 0.07 0.97 0.00 0.00 -1.81 0.00 0.00 57.70 56.93 1k0t n MET 76 Cb 0.90 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 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 -1.27 1.35 1.95 3.03 0.00 -1.26 -5.03 105.19 103.96 1k0t n GLY 77 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 -0.46 0.99 -0.00 -1.26 -4.81 117.00 111.46 1k0t n LEU 78 Ca 0.00 0.00 0.39 0.00 -0.00 0.00 0.00 56.01 56.40 1k0t n LEU 78 Cb 0.00 0.00 0.72 0.00 -0.00 0.00 0.00 43.42 44.14 1k0t n LEU 78 CO 0.00 -0.48 1.34 0.00 -0.00 0.00 0.00 177.39 178.24 1k0t h ALA 79 N 0.00 3.12 0.00 1.96 0.00 -1.93 -3.53 119.26 118.88 1k0t h ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k0t h ALA 79 Cb 0.03 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1k0t h ALA 79 CO 0.00 -1.59 0.00 2.48 0.00 0.00 0.00 179.25 180.14