#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6t n LEU 2 N 0.00 0.00 0.00 4.03 -0.00 -1.26 -4.87 117.00 114.90 1p6t n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1p6t n LEU 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1p6t n LEU 2 CO 0.00 -0.49 0.00 -1.20 -0.00 0.00 0.00 177.39 175.70 1p6t n SER 3 N -1.15 -0.37 -0.40 1.96 7.64 -1.26 -4.43 113.62 115.61 1p6t n SER 3 Ca 0.00 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.41 1p6t n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1p6t n SER 3 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1p6t n GLU 4 N -0.84 0.00 -1.73 1.43 4.07 -1.26 -4.88 120.64 117.43 1p6t n GLU 4 Ca 0.00 0.40 -0.42 0.00 -0.06 0.00 0.00 57.16 57.08 1p6t n GLU 4 Cb 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.35 1p6t n GLU 4 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1p6t s GLN 5 N -3.13 3.88 0.72 5.31 -1.52 -1.26 -4.49 119.66 119.16 1p6t s GLN 5 Ca 0.00 2.35 -0.07 0.00 -1.95 0.00 0.00 55.36 55.69 1p6t s GLN 5 Cb 0.00 -4.18 0.06 0.00 -0.22 0.00 0.00 33.01 28.67 1p6t s GLN 5 CO 0.00 -1.25 1.03 -1.59 -0.25 0.00 0.00 175.29 173.24 1p6t s LYS 6 N 4.89 2.15 -0.28 2.91 -2.85 -0.66 -4.83 119.74 121.07 1p6t s LYS 6 Ca 0.88 -0.23 0.03 0.00 -1.00 0.00 0.00 55.97 55.65 1p6t s LYS 6 Cb -0.38 -2.15 0.07 0.00 -2.06 0.00 0.00 37.83 33.32 1p6t s LYS 6 CO 0.38 -1.29 -0.04 -1.21 0.10 0.00 0.00 175.35 173.29 1p6t s GLU 7 N -5.28 1.84 -0.18 1.78 8.01 -1.26 -1.93 118.70 121.68 1p6t s GLU 7 Ca 0.60 -1.46 -0.19 0.00 0.01 0.00 0.00 54.97 53.94 1p6t s GLU 7 Cb -0.11 -2.91 -0.03 0.00 -4.31 0.00 0.00 34.13 26.77 1p6t s GLU 7 CO 0.45 -0.71 0.53 -1.50 0.01 0.00 0.00 175.26 174.04 1p6t s ILE 8 N 1.10 5.11 -0.12 -1.63 1.10 -0.14 -4.83 121.20 121.78 1p6t s ILE 8 Ca -0.01 1.01 0.02 0.00 -0.51 0.00 0.00 60.65 61.15 1p6t s ILE 8 Cb -0.19 -3.86 -0.01 0.00 0.15 0.00 0.00 42.46 38.55 1p6t s ILE 8 CO -0.07 0.20 -0.18 0.00 -2.11 0.00 0.00 174.94 172.78 1p6t s ALA 9 N 1.44 2.42 0.19 1.50 0.00 -0.47 -0.85 121.76 126.00 1p6t s ALA 9 Ca 0.26 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 1p6t s ALA 9 Cb -0.15 -1.06 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 1p6t s ALA 9 CO 0.10 0.19 0.37 -1.64 0.00 0.00 0.00 175.76 174.78 1p6t s MET 10 N 0.46 1.29 -0.18 0.00 -1.94 0.29 -3.42 119.30 115.80 1p6t s MET 10 Ca -0.12 -1.15 -0.15 0.00 -1.71 0.00 0.00 55.69 52.56 1p6t s MET 10 Cb -0.17 0.42 -0.04 0.00 2.01 0.00 0.00 34.83 37.05 1p6t s MET 10 CO 0.05 -0.50 0.36 -1.14 -0.01 0.00 0.00 175.02 173.78 1p6t s GLN 11 N -3.97 4.21 0.12 2.03 0.74 -1.26 -0.59 119.66 120.94 1p6t s GLN 11 Ca 0.18 0.16 0.09 0.00 0.05 0.00 0.00 55.36 55.84 1p6t s GLN 11 Cb 0.02 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.60 1p6t s GLN 11 CO 0.02 0.07 -0.22 0.54 -0.55 0.00 0.00 175.29 175.15 1p6t s VAL 12 N 0.97 1.88 0.40 1.34 0.11 -1.18 -1.06 120.40 122.86 1p6t s VAL 12 Ca 0.18 -1.64 0.08 0.00 -2.93 0.00 0.00 61.98 57.66 1p6t s VAL 12 Cb -0.14 -1.71 -0.07 0.00 -1.53 0.00 0.00 36.38 32.93 1p6t s VAL 12 CO 0.07 -0.05 0.01 -0.44 -3.33 0.00 0.00 175.10 171.36 1p6t s SER 13 N -2.03 3.94 0.00 3.54 0.01 0.11 -4.74 113.70 114.53 1p6t s SER 13 Ca 0.10 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.07 1p6t s SER 13 Cb -0.10 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1p6t s SER 13 CO 0.05 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1p6t n GLY 14 N -0.97 0.67 3.57 3.44 0.00 -1.26 -3.67 105.19 106.96 1p6t n GLY 14 Ca -0.04 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1p6t n GLY 14 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1p6t s MET 15 N -0.58 3.56 0.28 1.61 1.00 -1.26 -4.76 119.30 119.14 1p6t s MET 15 Ca 0.00 -1.38 0.05 0.00 0.00 0.00 0.00 55.69 54.37 1p6t s MET 15 Cb 0.00 -5.39 0.40 0.00 0.00 0.00 0.00 34.83 29.84 1p6t s MET 15 CO 0.00 -2.48 1.67 1.15 0.00 0.00 0.00 175.02 175.36 1p6t h THR 16 N 6.33 1.32 -2.00 2.05 2.02 -1.98 -3.48 112.91 117.18 1p6t h THR 16 Ca 0.29 -1.58 0.24 0.00 0.77 0.00 0.00 66.41 66.13 1p6t h THR 16 Cb 0.95 1.70 -0.09 0.00 -1.74 0.00 0.00 68.15 68.97 1p6t h THR 16 CO 1.40 0.47 0.63 0.00 0.37 0.00 0.00 175.52 178.40 1p6t h ALA 18 N 2.00 3.06 -0.81 0.00 0.00 -1.98 0.93 119.26 122.46 1p6t h ALA 18 Ca -0.27 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.71 1p6t h ALA 18 Cb 1.22 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1p6t h ALA 18 CO 0.27 -1.50 0.48 0.00 0.00 0.00 0.00 179.25 178.50 1p6t h ALA 19 N 1.40 1.12 0.42 0.00 0.00 -1.97 0.22 119.26 120.44 1p6t h ALA 19 Ca 0.69 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.59 1p6t h ALA 19 Cb 2.49 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 20.11 1p6t h ALA 19 CO -0.13 0.17 -0.20 0.00 0.00 0.00 0.00 179.25 179.08 1p6t h ALA 21 N -0.49 -0.48 -0.82 0.00 0.00 -1.50 -1.53 119.26 114.44 1p6t h ALA 21 Ca -0.06 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1p6t h ALA 21 Cb 0.56 1.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.45 1p6t h ALA 21 CO 0.10 -0.73 0.53 0.00 0.00 0.00 0.00 179.25 179.15 1p6t h ALA 22 N -0.15 1.74 -0.49 0.00 0.00 -0.48 0.12 119.26 120.00 1p6t h ALA 22 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1p6t h ALA 22 Cb 0.33 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1p6t h ALA 22 CO -0.56 0.09 0.31 0.00 0.00 0.00 0.00 179.25 179.10 1p6t h ARG 23 N 0.76 0.62 -0.09 0.00 2.47 -0.10 0.12 114.38 118.15 1p6t h ARG 23 Ca 0.38 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 59.05 1p6t h ARG 23 Cb 0.45 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1p6t h ARG 23 CO -0.15 0.41 0.02 0.82 0.56 0.00 0.00 179.97 181.63 1p6t h ILE 24 N 0.64 1.21 -0.30 2.04 2.04 0.11 0.13 117.51 123.37 1p6t h ILE 24 Ca 0.19 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.46 1p6t h ILE 24 Cb -0.04 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 1p6t h ILE 24 CO -0.06 0.18 -0.02 -0.33 0.00 0.00 0.00 178.15 177.93 1p6t h GLU 25 N -0.07 0.07 -0.34 2.37 5.08 -0.74 0.38 114.58 121.32 1p6t h GLU 25 Ca 0.03 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1p6t h GLU 25 Cb 0.27 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1p6t h GLU 25 CO 0.00 0.04 0.21 -0.22 -1.00 0.00 0.00 179.01 178.05 1p6t h LYS 26 N 0.07 0.42 -1.01 2.33 3.64 -0.71 0.48 116.57 121.79 1p6t h LYS 26 Ca 0.15 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1p6t h LYS 26 Cb 0.20 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 1p6t h LYS 26 CO -0.26 0.28 0.66 0.78 -2.27 0.00 0.00 179.45 178.64 1p6t h GLY 27 N 0.43 1.47 0.80 5.01 0.00 0.05 -2.97 103.07 107.87 1p6t h GLY 27 Ca 0.13 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 1p6t h GLY 27 CO -0.05 0.43 -0.19 1.41 0.00 0.00 0.00 176.54 178.13 1p6t h LEU 28 N 1.27 0.47 -2.03 3.11 3.38 0.29 -2.95 115.31 118.85 1p6t h LEU 28 Ca 0.40 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1p6t h LEU 28 Cb 0.01 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1p6t h LEU 28 CO -0.13 0.87 0.23 0.50 0.09 0.00 0.00 178.44 179.99 1p6t h LYS 29 N 0.09 0.00 -0.20 1.13 1.63 -0.76 0.92 116.57 119.38 1p6t h LYS 29 Ca 0.03 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.86 1p6t h LYS 29 Cb 0.74 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 1p6t h LYS 29 CO 0.05 0.00 0.14 -0.09 -3.45 0.00 0.00 179.45 176.10 1p6t h ARG 30 N 0.00 0.12 -6.71 1.90 9.65 -1.44 -3.43 114.38 114.47 1p6t h ARG 30 Ca 0.00 -0.01 -0.50 0.00 -1.10 0.00 0.00 59.98 58.38 1p6t h ARG 30 Cb 0.45 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.98 1p6t h ARG 30 CO 0.00 0.08 0.17 -1.64 2.80 0.00 0.00 179.97 181.38 1p6t s MET 31 N -5.16 4.24 0.09 0.20 -1.94 0.32 -5.01 119.30 112.03 1p6t s MET 31 Ca -0.06 0.92 -0.14 0.00 -1.71 0.00 0.00 55.69 54.70 1p6t s MET 31 Cb 0.18 -2.68 -0.16 0.00 2.01 0.00 0.00 34.83 34.17 1p6t s MET 31 CO 0.70 0.27 1.29 -1.00 -0.01 0.00 0.00 175.02 176.26 1p6t h PRO 32 N 2.92 0.75 0.00 2.03 0.13 -1.86 -3.23 132.00 132.73 1p6t h PRO 32 Ca -0.48 -0.62 0.00 0.00 -0.87 0.00 0.00 66.00 64.03 1p6t h PRO 32 Cb 1.19 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1p6t h PRO 32 CO 0.65 1.23 0.00 0.78 -0.23 0.00 0.00 178.00 180.42 1p6t h GLY 33 N 0.46 0.00 -7.16 1.56 0.00 -1.89 -3.41 103.07 92.63 1p6t h GLY 33 Ca -0.05 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.73 1p6t h GLY 33 CO 0.15 0.00 1.52 0.14 0.00 0.00 0.00 176.54 178.35 1p6t s VAL 34 N -3.64 3.04 -0.15 4.60 1.01 -1.22 -0.63 120.40 123.42 1p6t s VAL 34 Ca 0.02 0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.78 1p6t s VAL 34 Cb 0.09 -3.07 -0.25 0.00 0.00 0.00 0.00 36.38 33.15 1p6t s VAL 34 CO 0.55 -0.05 0.63 0.74 0.00 0.00 0.00 175.10 176.97 1p6t h THR 35 N 7.29 1.52 -3.62 3.92 2.02 -1.04 -3.48 112.91 119.52 1p6t h THR 35 Ca -0.35 -2.33 -0.10 0.00 0.77 0.00 0.00 66.41 64.40 1p6t h THR 35 Cb 1.24 3.06 -0.17 0.00 -1.74 0.00 0.00 68.15 70.54 1p6t h THR 35 CO 1.03 0.55 -0.39 -0.62 0.37 0.00 0.00 175.52 176.46 1p6t s ASP 36 N -6.48 0.06 -0.17 4.18 -1.08 0.02 -5.03 116.67 108.18 1p6t s ASP 36 Ca -0.21 -0.44 -0.04 0.00 -0.52 0.00 0.00 52.55 51.34 1p6t s ASP 36 Cb -0.00 0.30 0.08 0.00 -1.46 0.00 0.00 42.92 41.84 1p6t s ASP 36 CO 0.68 -0.60 0.20 0.00 0.52 0.00 0.00 175.17 175.97 1p6t s ALA 37 N -2.87 -0.22 -0.03 3.66 0.00 -1.26 -0.50 121.76 120.54 1p6t s ALA 37 Ca -0.03 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.30 1p6t s ALA 37 Cb 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.98 1p6t s ALA 37 CO -0.06 -1.00 -0.06 -0.80 0.00 0.00 0.00 175.76 173.85 1p6t s ASN 38 N 2.31 0.89 -0.19 0.00 0.02 -0.55 -4.81 114.94 112.61 1p6t s ASN 38 Ca 0.05 -0.13 -0.03 0.00 -1.02 0.00 0.00 52.86 51.73 1p6t s ASN 38 Cb -0.15 -0.30 0.06 0.00 0.02 0.00 0.00 41.25 40.88 1p6t s ASN 38 CO -0.10 0.01 0.04 0.54 0.02 0.00 0.00 177.10 177.61 1p6t s VAL 39 N 0.44 0.46 -0.99 1.60 0.11 -1.26 -0.39 120.40 120.36 1p6t s VAL 39 Ca -0.06 -0.52 -0.21 0.00 -2.93 0.00 0.00 61.98 58.27 1p6t s VAL 39 Cb -0.10 -0.98 0.09 0.00 -1.53 0.00 0.00 36.38 33.86 1p6t s VAL 39 CO 0.00 -0.22 1.32 0.20 -3.33 0.00 0.00 175.10 173.07 1p6t s ASN 40 N 1.89 6.58 0.53 3.54 -0.87 0.13 -4.83 114.94 121.90 1p6t s ASN 40 Ca -0.01 -1.76 0.28 0.00 -1.57 0.00 0.00 52.86 49.81 1p6t s ASN 40 Cb -0.17 -2.49 1.43 0.00 -0.02 0.00 0.00 41.25 40.00 1p6t s ASN 40 CO -0.08 -1.30 1.93 0.17 -2.57 0.00 0.00 177.10 175.25 1p6t h LEU 41 N 11.72 0.02 -1.98 0.60 -0.00 -1.91 0.15 115.31 123.92 1p6t h LEU 41 Ca 0.19 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 58.15 1p6t h LEU 41 Cb 1.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.66 1p6t h LEU 41 CO 1.29 0.01 0.20 0.00 -0.00 0.00 0.00 178.44 179.94 1p6t h ALA 42 N 1.62 2.24 -0.02 0.17 0.00 -1.96 -0.31 119.26 121.01 1p6t h ALA 42 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1p6t h ALA 42 Cb 1.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1p6t h ALA 42 CO -0.01 -0.31 0.00 0.25 0.00 0.00 0.00 179.25 179.17 1p6t n THR 43 N -4.46 1.20 -3.42 0.00 -2.24 -0.38 -5.00 114.28 99.98 1p6t n THR 43 Ca 0.04 -1.27 -0.24 0.00 -2.27 0.00 0.00 64.05 60.31 1p6t n THR 43 Cb 0.35 0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.91 1p6t n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1p6t n GLU 44 N -0.66 -3.20 -3.70 -0.78 1.02 0.37 -4.94 120.64 108.75 1p6t n GLU 44 Ca 0.04 0.43 -0.38 0.00 -0.02 0.00 0.00 57.16 57.22 1p6t n GLU 44 Cb 0.34 -5.12 -0.12 0.00 -0.02 0.00 0.00 31.44 26.53 1p6t n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1p6t s THR 45 N -2.92 3.90 -0.10 2.62 2.01 -0.20 -3.10 115.64 117.86 1p6t s THR 45 Ca 0.42 -1.28 -0.24 0.00 0.31 0.00 0.00 61.69 60.89 1p6t s THR 45 Cb -0.22 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 1p6t s THR 45 CO 0.51 -0.32 0.76 0.54 -0.69 0.00 0.00 174.62 175.43 1p6t s VAL 46 N 1.39 4.98 -0.16 3.82 0.11 0.24 -0.70 120.40 130.08 1p6t s VAL 46 Ca 0.01 1.54 -0.01 0.00 -2.93 0.00 0.00 61.98 60.59 1p6t s VAL 46 Cb -0.21 -4.09 0.04 0.00 -1.53 0.00 0.00 36.38 30.60 1p6t s VAL 46 CO 0.02 0.16 -0.03 0.54 -3.33 0.00 0.00 175.10 172.47 1p6t s ASN 47 N 0.96 2.68 -0.11 3.54 2.20 0.47 -0.55 114.94 124.13 1p6t s ASN 47 Ca 0.38 -0.62 0.01 0.00 -0.94 0.00 0.00 52.86 51.70 1p6t s ASN 47 Cb -0.18 -0.78 -0.01 0.00 -2.00 0.00 0.00 41.25 38.28 1p6t s ASN 47 CO 0.17 -0.21 -0.15 -0.69 -2.94 0.00 0.00 177.10 173.27 1p6t s VAL 48 N 1.73 2.85 -0.29 3.54 1.01 -0.03 -1.48 120.40 127.73 1p6t s VAL 48 Ca 0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1p6t s VAL 48 Cb -0.15 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1p6t s VAL 48 CO -0.07 0.54 0.05 -0.63 0.00 0.00 0.00 175.10 174.99 1p6t s ILE 49 N 0.21 3.66 0.26 2.22 1.09 0.35 -0.96 121.20 128.02 1p6t s ILE 49 Ca -0.10 -0.88 -0.19 0.00 -1.10 0.00 0.00 60.65 58.39 1p6t s ILE 49 Cb -0.16 -2.93 0.02 0.00 -1.06 0.00 0.00 42.46 38.33 1p6t s ILE 49 CO 0.06 0.05 0.64 -0.72 -0.10 0.00 0.00 174.94 174.86 1p6t s TYR 50 N 1.43 -0.09 -0.23 3.97 1.13 -0.81 -0.50 117.35 122.24 1p6t s TYR 50 Ca 0.01 -0.31 -0.22 0.00 -1.41 0.00 0.00 57.07 55.14 1p6t s TYR 50 Cb -0.18 0.56 -0.02 0.00 -1.10 0.00 0.00 41.96 41.23 1p6t s TYR 50 CO 0.01 -1.13 0.68 0.34 -2.51 0.00 0.00 175.55 172.95 1p6t s ASP 51 N -2.92 6.68 0.00 -0.18 -1.08 0.20 -1.65 116.67 117.71 1p6t s ASP 51 Ca 0.12 0.83 0.00 0.00 -0.52 0.00 0.00 52.55 52.99 1p6t s ASP 51 Cb -0.04 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1p6t s ASP 51 CO 0.05 -0.38 1.30 -0.81 0.52 0.00 0.00 175.17 175.85 1p6t n PRO 52 N 5.59 0.79 -0.47 4.34 -0.04 -1.26 -3.40 135.00 140.56 1p6t n PRO 52 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1p6t n PRO 52 Cb 0.49 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 1p6t n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p6t n ALA 53 N 1.24 1.93 0.00 0.55 0.00 -1.26 -4.45 120.51 118.53 1p6t n ALA 53 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1p6t n ALA 53 Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1p6t n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1p6t n GLU 54 N 0.00 0.00 0.00 0.00 1.02 -1.22 -5.07 120.64 115.38 1p6t n GLU 54 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1p6t n GLU 54 Cb 0.54 -0.57 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 1p6t n GLU 54 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1p6t n THR 55 N -2.01 0.00 0.00 2.62 -1.04 -1.25 -4.86 114.28 107.75 1p6t n THR 55 Ca 0.00 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1p6t n THR 55 Cb 0.17 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 1p6t n THR 55 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1p6t n GLY 56 N 3.56 3.62 0.33 3.41 0.00 -1.26 -4.60 105.19 110.25 1p6t n GLY 56 Ca 0.00 -1.29 0.11 0.00 0.00 0.00 0.00 46.02 44.85 1p6t n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p6t h THR 57 N 0.00 0.65 -0.89 2.61 1.03 -1.94 0.85 112.91 115.21 1p6t h THR 57 Ca 0.00 -0.21 0.01 0.00 -0.01 0.00 0.00 66.41 66.20 1p6t h THR 57 Cb 0.00 -0.03 -0.04 0.00 -1.07 0.00 0.00 68.15 67.01 1p6t h THR 57 CO 0.00 0.11 0.59 0.00 -0.01 0.00 0.00 175.52 176.22 1p6t h ALA 58 N 1.64 1.13 -0.21 0.00 0.00 -1.90 0.82 119.26 120.73 1p6t h ALA 58 Ca 0.54 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.27 1p6t h ALA 58 Cb 0.88 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1p6t h ALA 58 CO -0.42 0.53 -0.35 0.00 0.00 0.00 0.00 179.25 179.02 1p6t h ALA 59 N 1.33 0.33 -0.03 0.00 0.00 -1.14 0.23 119.26 119.98 1p6t h ALA 59 Ca 0.33 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1p6t h ALA 59 Cb -0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1p6t h ALA 59 CO -0.07 0.39 -0.09 0.82 0.00 0.00 0.00 179.25 180.30 1p6t h ILE 60 N 0.30 0.76 -0.62 0.00 2.04 -0.88 0.16 117.51 119.27 1p6t h ILE 60 Ca 0.02 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 1p6t h ILE 60 Cb 0.94 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1p6t h ILE 60 CO 0.08 0.00 0.09 0.06 0.00 0.00 0.00 178.15 178.38 1p6t h GLN 61 N -0.14 1.02 -0.85 2.37 3.07 -0.84 -1.76 115.11 117.98 1p6t h GLN 61 Ca 0.04 -0.26 0.11 0.00 0.09 0.00 0.00 58.65 58.64 1p6t h GLN 61 Cb 0.20 -0.12 -0.08 0.00 0.08 0.00 0.00 27.48 27.56 1p6t h GLN 61 CO -0.11 0.94 0.48 1.49 0.09 0.00 0.00 178.83 181.72 1p6t h GLU 62 N 0.95 0.74 -0.04 0.06 4.81 0.04 -0.61 114.58 120.53 1p6t h GLU 62 Ca 0.19 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1p6t h GLU 62 Cb 0.43 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1p6t h GLU 62 CO 0.01 0.49 0.02 -0.22 -0.73 0.00 0.00 179.01 178.58 1p6t h LYS 63 N 0.76 0.05 -0.56 1.92 1.63 0.12 0.22 116.57 120.71 1p6t h LYS 63 Ca 0.43 -0.00 0.11 0.00 -0.85 0.00 0.00 60.65 60.34 1p6t h LYS 63 Cb 0.47 -0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 32.00 1p6t h LYS 63 CO -0.29 0.08 0.00 0.82 -3.45 0.00 0.00 179.45 176.61 1p6t h ILE 64 N 0.01 0.56 0.06 2.00 2.04 -0.56 0.27 117.51 121.89 1p6t h ILE 64 Ca 0.01 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1p6t h ILE 64 Cb 0.04 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1p6t h ILE 64 CO -0.00 0.02 -0.03 -0.33 0.00 0.00 0.00 178.15 177.81 1p6t h GLU 65 N 0.12 -0.08 0.00 2.37 5.08 -0.52 -2.66 114.58 118.90 1p6t h GLU 65 Ca 0.29 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1p6t h GLU 65 Cb 0.44 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1p6t h GLU 65 CO -0.47 0.06 -0.05 0.87 -1.00 0.00 0.00 179.01 178.42 1p6t h LYS 66 N -0.20 0.00 0.00 2.33 1.57 -0.09 0.15 116.57 120.33 1p6t h LYS 66 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1p6t h LYS 66 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1p6t h LYS 66 CO 0.01 0.05 0.00 1.28 -0.57 0.00 0.00 179.45 180.22 1p6t n LEU 67 N -4.38 0.00 -0.32 2.94 4.77 0.92 -4.87 117.00 116.06 1p6t n LEU 67 Ca -0.03 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1p6t n LEU 67 Cb 0.13 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1p6t n LEU 67 CO 0.34 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1p6t n GLY 68 N -0.06 0.90 3.41 -0.72 0.00 0.51 -5.08 105.19 104.16 1p6t n GLY 68 Ca 0.06 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 1p6t n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p6t s TYR 69 N -2.48 1.74 0.02 1.61 2.02 -1.07 -5.00 117.35 114.20 1p6t s TYR 69 Ca 0.00 -1.42 -0.05 0.00 -0.37 0.00 0.00 57.07 55.24 1p6t s TYR 69 Cb 0.00 -0.97 -0.01 0.00 -0.40 0.00 0.00 41.96 40.58 1p6t s TYR 69 CO 0.00 -0.51 0.07 -1.58 -1.57 0.00 0.00 175.55 171.96 1p6t s HIS 70 N -3.35 0.18 0.00 2.71 2.46 -1.24 -4.18 115.29 111.87 1p6t s HIS 70 Ca 0.31 -0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.41 1p6t s HIS 70 Cb 0.03 -0.14 -0.04 0.00 -0.13 0.00 0.00 32.58 32.30 1p6t s HIS 70 CO 0.19 -0.31 0.05 0.14 -2.47 0.00 0.00 174.74 172.34 1p6t s VAL 71 N -2.07 4.51 -0.76 0.89 -7.23 -1.26 -0.71 120.40 113.77 1p6t s VAL 71 Ca -0.10 -0.50 -0.06 0.00 -1.81 0.00 0.00 61.98 59.51 1p6t s VAL 71 Cb -0.04 -3.05 -0.08 0.00 0.56 0.00 0.00 36.38 33.76 1p6t s VAL 71 CO -0.02 0.35 3.04 0.52 -0.31 0.00 0.00 175.10 178.68 1p6t n VAL 72 N 1.22 3.82 -5.21 1.32 0.31 -0.22 -4.87 118.33 114.70 1p6t n VAL 72 Ca -0.13 -2.63 -0.32 0.00 -0.01 0.00 0.00 64.34 61.25 1p6t n VAL 72 Cb 0.53 -2.08 -0.17 0.00 -0.91 0.00 0.00 33.84 31.21 1p6t n VAL 72 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1p6t s THR 73 N 0.17 2.11 0.02 2.52 2.01 -1.26 -4.15 115.64 117.06 1p6t s THR 73 Ca 0.64 -1.01 0.05 0.00 0.31 0.00 0.00 61.69 61.67 1p6t s THR 73 Cb 0.27 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 1p6t s THR 73 CO -0.08 0.56 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.64 1p6t s GLU 74 N 0.19 1.14 -1.25 4.92 0.41 -0.14 -4.88 118.70 119.08 1p6t s GLU 74 Ca -0.14 -0.69 -0.16 0.00 -0.41 0.00 0.00 54.97 53.57 1p6t s GLU 74 Cb -0.17 -1.14 0.11 0.00 -1.78 0.00 0.00 34.13 31.15 1p6t s GLU 74 CO 0.07 0.30 1.60 -1.59 -0.49 0.00 0.00 175.26 175.15 1p6t s LYS 75 N -0.78 4.02 0.07 1.61 -2.85 -1.26 -1.74 119.74 118.81 1p6t s LYS 75 Ca 0.04 -2.22 -0.26 0.00 -1.00 0.00 0.00 55.97 52.54 1p6t s LYS 75 Cb -0.07 -5.33 -0.06 0.00 -2.06 0.00 0.00 37.83 30.31 1p6t s LYS 75 CO 0.00 -2.05 0.79 0.00 0.10 0.00 0.00 175.35 174.20 1p6t s ALA 76 N 3.15 3.36 -0.23 0.59 0.00 0.20 -4.85 121.76 123.98 1p6t s ALA 76 Ca 0.49 0.34 -0.20 0.00 0.00 0.00 0.00 51.96 52.59 1p6t s ALA 76 Cb 0.01 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 1p6t s ALA 76 CO 0.04 0.09 0.59 -2.00 0.00 0.00 0.00 175.76 174.49 1p6t s GLU 77 N -0.23 4.15 0.05 0.00 -6.30 -1.26 -0.27 118.70 114.84 1p6t s GLU 77 Ca 0.39 0.52 0.08 0.00 -2.50 0.00 0.00 54.97 53.46 1p6t s GLU 77 Cb -0.21 -3.61 -0.03 0.00 0.00 0.00 0.00 34.13 30.28 1p6t s GLU 77 CO 0.24 -0.29 -0.22 -0.06 0.02 0.00 0.00 175.26 174.95 1p6t s PHE 78 N 2.11 2.44 -0.02 5.30 0.40 0.41 -2.53 117.98 126.10 1p6t s PHE 78 Ca 0.26 -0.33 -0.04 0.00 -0.60 0.00 0.00 56.93 56.22 1p6t s PHE 78 Cb -0.16 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 1p6t s PHE 78 CO 0.09 0.20 0.20 0.34 0.70 0.00 0.00 175.22 176.75 1p6t s ASP 79 N -1.38 6.40 -0.04 1.36 -1.08 0.47 -0.41 116.67 122.00 1p6t s ASP 79 Ca 0.13 0.40 0.06 0.00 -0.52 0.00 0.00 52.55 52.62 1p6t s ASP 79 Cb -0.10 -2.03 -0.01 0.00 -1.46 0.00 0.00 42.92 39.32 1p6t s ASP 79 CO 0.04 0.28 -0.20 -0.63 0.52 0.00 0.00 175.17 175.17 1p6t s ILE 80 N -1.29 1.66 -0.39 4.11 1.01 0.11 0.09 121.20 126.50 1p6t s ILE 80 Ca 0.26 -0.86 0.12 0.00 0.00 0.00 0.00 60.65 60.17 1p6t s ILE 80 Cb -0.13 -1.40 0.40 0.00 0.01 0.00 0.00 42.46 41.35 1p6t s ILE 80 CO 0.17 0.47 0.91 1.21 0.00 0.00 0.00 174.94 177.69 1p6t n GLU 81 N 2.89 1.75 0.00 2.79 2.13 -0.47 -4.76 120.64 124.97 1p6t n GLU 81 Ca -0.17 -3.71 0.00 0.00 0.66 0.00 0.00 57.16 53.94 1p6t n GLU 81 Cb 0.53 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.55 1p6t n GLU 81 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p6t n GLY 82 N -0.05 0.05 3.54 8.31 0.00 -1.26 -4.51 105.19 111.27 1p6t n GLY 82 Ca 0.22 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1p6t n GLY 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1p6t n MET 83 N -1.04 0.48 0.17 1.61 2.81 -1.26 -4.79 117.12 115.09 1p6t n MET 83 Ca 0.00 -0.35 0.19 0.00 -1.81 0.00 0.00 57.70 55.73 1p6t n MET 83 Cb 0.00 -2.76 0.79 0.00 -0.71 0.00 0.00 33.22 30.54 1p6t n MET 83 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1p6t h THR 84 N 7.59 0.34 0.00 2.03 1.03 -2.00 -3.44 112.91 118.46 1p6t h THR 84 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.34 1p6t h THR 84 Cb 1.14 0.72 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 1p6t h THR 84 CO 1.23 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 176.74 1p6t n ALA 86 N -0.71 0.34 0.05 0.00 0.00 -1.26 -4.91 120.51 114.01 1p6t n ALA 86 Ca 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 53.44 51.14 1p6t n ALA 86 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1p6t n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t n ALA 87 N 1.16 0.81 -0.14 0.00 0.00 -1.26 -4.86 120.51 116.21 1p6t n ALA 87 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.55 1p6t n ALA 87 Cb 0.62 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.12 1p6t n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t h ALA 89 N 1.32 1.20 -0.36 0.00 0.00 -1.92 0.17 119.26 119.66 1p6t h ALA 89 Ca 0.22 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1p6t h ALA 89 Cb 0.24 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1p6t h ALA 89 CO -0.24 0.58 0.15 -0.91 0.00 0.00 0.00 179.25 178.83 1p6t h ASN 90 N 0.97 0.20 0.15 0.00 2.35 -1.56 0.32 115.58 118.01 1p6t h ASN 90 Ca 0.23 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1p6t h ASN 90 Cb 0.19 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1p6t h ASN 90 CO -0.02 0.15 -0.07 0.03 -1.65 0.00 0.00 177.43 175.87 1p6t h ARG 91 N 0.32 -0.19 -0.86 0.81 3.08 -0.82 -2.67 114.38 114.05 1p6t h ARG 91 Ca 0.16 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.32 1p6t h ARG 91 Cb 0.11 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 1p6t h ARG 91 CO -0.14 -0.04 0.51 0.97 -1.07 0.00 0.00 179.97 180.19 1p6t h ILE 92 N -0.30 0.92 0.38 2.04 2.10 -0.27 0.78 117.51 123.15 1p6t h ILE 92 Ca -0.02 -0.29 -0.02 0.00 1.08 0.00 0.00 64.86 65.61 1p6t h ILE 92 Cb 0.24 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 35.97 1p6t h ILE 92 CO 0.03 0.15 -0.18 -0.08 -1.08 0.00 0.00 178.15 177.00 1p6t h GLU 93 N 0.85 -0.49 -0.05 2.19 4.81 -0.30 0.20 114.58 121.80 1p6t h GLU 93 Ca 0.42 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.61 1p6t h GLU 93 Cb 0.37 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1p6t h GLU 93 CO -0.25 -0.30 -0.27 0.87 -0.73 0.00 0.00 179.01 178.33 1p6t h LYS 94 N -0.54 0.09 0.00 1.92 6.56 -1.09 -0.94 116.57 122.57 1p6t h LYS 94 Ca -0.05 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1p6t h LYS 94 Cb 0.41 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 1p6t h LYS 94 CO 0.08 0.36 0.00 0.54 -2.06 0.00 0.00 179.45 178.37 1p6t n ARG 95 N -4.19 0.00 -0.35 3.15 5.12 0.23 -4.06 116.66 116.55 1p6t n ARG 95 Ca -0.02 0.45 0.25 0.00 -1.93 0.00 0.00 57.85 56.61 1p6t n ARG 95 Cb 0.34 -1.15 0.52 0.00 -1.16 0.00 0.00 32.46 31.00 1p6t n ARG 95 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1p6t h LEU 96 N 0.00 0.44 -0.38 0.55 3.38 -0.68 -2.22 115.31 116.39 1p6t h LEU 96 Ca 0.00 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.17 1p6t h LEU 96 Cb 0.00 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 1p6t h LEU 96 CO 0.00 -0.00 -0.06 -3.20 0.09 0.00 0.00 178.44 175.27 1p6t n ASN 97 N -4.73 -0.11 -2.73 -0.43 2.85 -0.36 -3.41 115.26 106.34 1p6t n ASN 97 Ca 0.29 0.65 -0.05 0.00 -0.11 0.00 0.00 54.58 55.36 1p6t n ASN 97 Cb 0.99 -0.21 0.04 0.00 1.24 0.00 0.00 39.78 41.84 1p6t n ASN 97 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1p6t n LYS 98 N -4.53 0.51 0.25 1.20 0.00 -0.84 -3.91 118.16 110.84 1p6t n LYS 98 Ca 0.07 -1.56 -0.13 0.00 -0.00 0.00 0.00 58.31 56.69 1p6t n LYS 98 Cb 0.23 -1.08 -0.07 0.00 -0.00 0.00 0.00 35.03 34.11 1p6t n LYS 98 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1p6t h ILE 99 N 3.39 0.23 0.00 0.58 2.04 -1.56 -3.48 117.51 118.71 1p6t h ILE 99 Ca -0.07 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1p6t h ILE 99 Cb 1.10 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1p6t h ILE 99 CO 0.09 0.04 0.00 1.21 0.00 0.00 0.00 178.15 179.49 1p6t n GLU 100 N -5.25 0.00 -2.57 2.37 2.13 -1.26 -4.98 120.64 111.07 1p6t n GLU 100 Ca -0.10 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.56 1p6t n GLU 100 Cb 0.31 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.04 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p6t n GLY 101 N 1.28 3.52 3.27 8.31 0.00 -1.22 -1.36 105.19 118.98 1p6t n GLY 101 Ca 0.00 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 1p6t n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p6t s VAL 102 N -4.18 3.02 -0.05 1.61 1.01 -1.26 -0.84 120.40 119.71 1p6t s VAL 102 Ca 0.36 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.48 1p6t s VAL 102 Cb 0.42 -2.34 -0.19 0.00 0.00 0.00 0.00 36.38 34.27 1p6t s VAL 102 CO -0.05 0.46 1.06 0.00 0.00 0.00 0.00 175.10 176.56 1p6t h ALA 103 N 7.93 -0.10 -2.76 5.51 0.00 -0.60 -3.39 119.26 125.85 1p6t h ALA 103 Ca -0.41 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 1p6t h ALA 103 Cb 1.16 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 1p6t h ALA 103 CO 0.61 -0.25 -0.15 -0.80 0.00 0.00 0.00 179.25 178.66 1p6t s ASN 104 N -5.65 -0.10 -0.43 0.00 0.01 -0.98 -4.84 114.94 102.95 1p6t s ASN 104 Ca -0.15 -0.72 0.08 0.00 -0.71 0.00 0.00 52.86 51.36 1p6t s ASN 104 Cb 0.01 0.52 0.32 0.00 0.41 0.00 0.00 41.25 42.51 1p6t s ASN 104 CO 0.60 -1.00 0.97 0.00 -1.51 0.00 0.00 177.10 176.16 1p6t n ALA 105 N -0.29 0.17 -1.79 0.60 0.00 -1.26 -0.95 120.51 116.99 1p6t n ALA 105 Ca -0.08 -2.14 -0.35 0.00 0.00 0.00 0.00 53.44 50.87 1p6t n ALA 105 Cb 0.63 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 1p6t n ALA 105 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1p6t s PRO 106 N -0.63 3.91 -0.11 0.00 0.04 -1.14 -4.65 135.00 132.42 1p6t s PRO 106 Ca 0.29 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.78 1p6t s PRO 106 Cb 0.30 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1p6t s PRO 106 CO -0.07 -0.36 0.02 0.54 0.04 0.00 0.00 177.00 177.17 1p6t s VAL 107 N -1.79 4.47 0.02 -0.36 0.11 -1.26 -0.98 120.40 120.60 1p6t s VAL 107 Ca 0.63 -0.18 -0.02 0.00 -2.93 0.00 0.00 61.98 59.49 1p6t s VAL 107 Cb -0.21 -2.91 -0.27 0.00 -1.53 0.00 0.00 36.38 31.46 1p6t s VAL 107 CO 0.25 0.58 0.91 0.78 -3.33 0.00 0.00 175.10 174.29 1p6t h ASN 108 N 5.51 0.35 0.00 3.54 4.21 -1.30 -3.48 115.58 124.40 1p6t h ASN 108 Ca -0.47 -0.47 0.00 0.00 1.21 0.00 0.00 56.30 56.57 1p6t h ASN 108 Cb 1.19 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.28 1p6t h ASN 108 CO 0.58 1.39 0.00 0.49 -1.29 0.00 0.00 177.43 178.59 1p6t n PHE 109 N -3.43 0.00 -0.21 1.19 3.72 -1.25 -4.51 117.46 112.98 1p6t n PHE 109 Ca -0.14 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.32 1p6t n PHE 109 Cb 1.03 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 39.91 1p6t n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1p6t h ALA 110 N 0.00 1.67 -0.51 4.37 0.00 -1.93 0.11 119.26 122.97 1p6t h ALA 110 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1p6t h ALA 110 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1p6t h ALA 110 CO 0.00 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.74 1p6t n LEU 111 N -4.48 3.43 -3.51 0.00 4.77 -1.26 -5.00 117.00 110.95 1p6t n LEU 111 Ca 0.11 -1.87 -0.24 0.00 -0.03 0.00 0.00 56.01 53.98 1p6t n LEU 111 Cb 0.23 -0.34 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1p6t n LEU 111 CO 0.33 0.83 -0.02 -0.62 -1.33 0.00 0.00 177.39 176.58 1p6t n GLU 112 N 1.19 -1.57 -4.27 3.23 1.02 0.36 -4.88 120.64 115.72 1p6t n GLU 112 Ca 0.18 0.66 -0.18 0.00 -0.02 0.00 0.00 57.16 57.80 1p6t n GLU 112 Cb 0.54 -4.73 -0.11 0.00 -0.02 0.00 0.00 31.44 27.11 1p6t n GLU 112 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1p6t s THR 113 N -3.40 1.45 -0.08 2.62 -4.23 -1.26 -0.71 115.64 110.03 1p6t s THR 113 Ca 0.44 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 1p6t s THR 113 Cb -0.12 -1.67 0.01 0.00 1.34 0.00 0.00 72.50 72.06 1p6t s THR 113 CO 0.82 -0.44 -0.16 0.54 -0.54 0.00 0.00 174.62 174.83 1p6t s VAL 114 N -2.31 1.44 -0.11 2.29 0.11 0.46 -0.70 120.40 121.57 1p6t s VAL 114 Ca 0.12 -0.66 -0.27 0.00 -2.93 0.00 0.00 61.98 58.24 1p6t s VAL 114 Cb -0.04 -1.29 -0.02 0.00 -1.53 0.00 0.00 36.38 33.51 1p6t s VAL 114 CO 0.04 0.42 0.89 -0.89 -3.33 0.00 0.00 175.10 172.24 1p6t s THR 115 N 0.56 4.87 -0.38 5.04 2.01 -0.15 -0.45 115.64 127.13 1p6t s THR 115 Ca -0.16 1.80 -0.10 0.00 0.31 0.00 0.00 61.69 63.54 1p6t s THR 115 Cb -0.17 -4.21 0.04 0.00 0.01 0.00 0.00 72.50 68.17 1p6t s THR 115 CO 0.05 0.06 0.21 0.54 -0.69 0.00 0.00 174.62 174.80 1p6t s VAL 116 N 1.79 4.47 -0.66 3.82 0.11 0.63 -2.89 120.40 127.67 1p6t s VAL 116 Ca 0.43 -0.97 -0.19 0.00 -2.93 0.00 0.00 61.98 58.32 1p6t s VAL 116 Cb -0.18 -3.54 0.11 0.00 -1.53 0.00 0.00 36.38 31.25 1p6t s VAL 116 CO 0.17 -0.28 0.79 -1.61 -3.33 0.00 0.00 175.10 170.84 1p6t s GLU 117 N 1.52 3.16 0.23 1.54 2.02 -0.12 -0.63 118.70 126.41 1p6t s GLU 117 Ca 0.02 -1.40 -0.08 0.00 0.02 0.00 0.00 54.97 53.53 1p6t s GLU 117 Cb -0.20 -4.35 -0.02 0.00 0.10 0.00 0.00 34.13 29.66 1p6t s GLU 117 CO 0.06 -1.59 0.33 1.52 0.02 0.00 0.00 175.26 175.60 1p6t s TYR 118 N 2.68 0.70 -0.44 1.61 1.13 -0.71 0.04 117.35 122.36 1p6t s TYR 118 Ca 0.16 -1.00 -0.18 0.00 -1.41 0.00 0.00 57.07 54.63 1p6t s TYR 118 Cb -0.20 -0.12 0.03 0.00 -1.10 0.00 0.00 41.96 40.57 1p6t s TYR 118 CO 0.04 -0.85 0.52 1.21 -2.51 0.00 0.00 175.55 173.96 1p6t s ASN 119 N -3.08 6.23 -0.00 -0.18 3.84 -0.02 -0.96 114.94 120.77 1p6t s ASN 119 Ca 0.29 -0.65 0.00 0.00 0.21 0.00 0.00 52.86 52.72 1p6t s ASN 119 Cb 0.03 -2.26 0.01 0.00 -0.55 0.00 0.00 41.25 38.48 1p6t s ASN 119 CO 0.10 -0.69 0.63 -0.81 -2.79 0.00 0.00 177.10 173.54 1p6t n PRO 120 N 5.87 1.05 -0.08 0.43 -0.04 -1.26 -2.47 135.00 138.49 1p6t n PRO 120 Ca -0.06 -0.05 -0.14 0.00 -0.04 0.00 0.00 63.50 63.22 1p6t n PRO 120 Cb 0.47 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 1p6t n PRO 120 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1p6t n LYS 121 N 0.11 0.45 0.24 0.54 4.76 -1.26 -4.68 118.16 118.33 1p6t n LYS 121 Ca 0.01 0.19 -0.16 0.00 -2.87 0.00 0.00 58.31 55.48 1p6t n LYS 121 Cb 0.32 -1.27 -0.08 0.00 -1.84 0.00 0.00 35.03 32.16 1p6t n LYS 121 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1p6t h GLU 122 N -0.81 -0.68 0.00 1.97 3.07 -1.91 -3.46 114.58 112.74 1p6t h GLU 122 Ca -0.22 0.05 -0.29 0.00 -0.50 0.00 0.00 59.36 58.40 1p6t h GLU 122 Cb 1.07 0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 29.10 1p6t h GLU 122 CO -0.13 -0.46 -0.18 0.00 -1.40 0.00 0.00 179.01 176.84 1p6t n ALA 123 N -2.57 0.27 -3.81 3.43 0.00 -1.03 -5.06 120.51 111.74 1p6t n ALA 123 Ca -0.10 -1.03 -0.07 0.00 0.00 0.00 0.00 53.44 52.24 1p6t n ALA 123 Cb 0.34 0.51 -0.02 0.00 0.00 0.00 0.00 19.45 20.28 1p6t n ALA 123 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1p6t s SER 124 N -2.34 -0.27 0.28 0.00 1.04 -1.26 -4.28 113.70 106.87 1p6t s SER 124 Ca 0.05 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 55.97 1p6t s SER 124 Cb -0.00 0.68 0.67 0.00 0.10 0.00 0.00 66.02 67.47 1p6t s SER 124 CO 0.03 -1.24 1.40 0.52 0.98 0.00 0.00 173.24 174.94 1p6t n VAL 125 N -0.45 -0.38 -0.14 5.02 0.31 -1.26 -0.61 118.33 120.82 1p6t n VAL 125 Ca -0.05 1.97 -0.04 0.00 -0.01 0.00 0.00 64.34 66.20 1p6t n VAL 125 Cb 0.60 -2.87 0.04 0.00 -0.91 0.00 0.00 33.84 30.70 1p6t n VAL 125 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1p6t h SER 126 N 0.00 0.18 -0.17 4.52 0.02 -1.98 0.16 113.55 116.28 1p6t h SER 126 Ca 0.54 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1p6t h SER 126 Cb 1.10 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1p6t h SER 126 CO -0.84 0.13 0.10 -0.78 -1.14 0.00 0.00 176.83 174.30 1p6t h ASP 127 N 0.34 0.17 -0.16 3.07 3.58 -1.25 0.14 116.42 122.31 1p6t h ASP 127 Ca 0.21 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.67 1p6t h ASP 127 Cb 0.20 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1p6t h ASP 127 CO -0.21 0.12 0.05 -0.07 -2.88 0.00 0.00 179.24 176.25 1p6t h LEU 128 N 0.21 0.04 -0.11 2.28 3.38 -0.89 0.19 115.31 120.41 1p6t h LEU 128 Ca 0.06 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1p6t h LEU 128 Cb -0.01 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1p6t h LEU 128 CO -0.02 0.05 -0.24 0.11 0.09 0.00 0.00 178.44 178.43 1p6t h LYS 129 N 0.12 -0.30 -0.63 1.13 1.79 -0.51 -0.91 116.57 117.26 1p6t h LYS 129 Ca 0.07 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1p6t h LYS 129 Cb 0.05 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 1p6t h LYS 129 CO -0.08 -0.20 0.39 1.49 -1.08 0.00 0.00 179.45 179.97 1p6t h GLU 130 N -0.31 0.85 0.12 3.15 4.81 -0.11 0.26 114.58 123.34 1p6t h GLU 130 Ca 0.10 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1p6t h GLU 130 Cb 0.45 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1p6t h GLU 130 CO -0.29 0.59 -0.10 0.00 -0.73 0.00 0.00 179.01 178.48 1p6t h ALA 131 N 1.20 -0.21 0.00 2.92 0.00 -0.38 -0.08 119.26 122.71 1p6t h ALA 131 Ca 0.23 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1p6t h ALA 131 Cb -0.05 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1p6t h ALA 131 CO -0.04 -0.63 -0.41 0.28 0.00 0.00 0.00 179.25 178.44 1p6t h VAL 132 N -0.24 1.26 -0.23 0.00 2.07 -0.82 -0.22 116.25 118.06 1p6t h VAL 132 Ca 0.00 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.11 1p6t h VAL 132 Cb 0.22 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1p6t h VAL 132 CO -0.02 0.41 0.06 -0.78 0.02 0.00 0.00 177.57 177.26 1p6t h ASP 133 N 0.00 0.05 -0.55 0.57 1.82 -0.01 0.24 116.42 118.53 1p6t h ASP 133 Ca -0.00 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.65 1p6t h ASP 133 Cb 0.75 0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.77 1p6t h ASP 133 CO 0.05 0.06 0.30 0.50 -1.61 0.00 0.00 179.24 178.54 1p6t h LYS 134 N 0.16 0.80 -0.04 0.28 3.64 -0.13 0.13 116.57 121.41 1p6t h LYS 134 Ca 0.10 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1p6t h LYS 134 Cb 0.09 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1p6t h LYS 134 CO -0.12 0.61 -0.26 -0.07 -2.27 0.00 0.00 179.45 177.34 1p6t h LEU 135 N 0.81 0.06 -0.29 5.20 -0.00 -0.48 -3.48 115.31 117.14 1p6t h LEU 135 Ca 0.20 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1p6t h LEU 135 Cb 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1p6t h LEU 135 CO -0.03 0.32 0.00 0.61 -0.00 0.00 0.00 178.44 179.34 1p6t n GLY 136 N -0.73 1.06 0.00 0.83 0.00 0.73 -5.08 105.19 102.00 1p6t n GLY 136 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1p6t n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1p6t n TYR 137 N -1.07 0.00 -3.73 1.61 4.01 -0.58 -5.02 117.16 112.37 1p6t n TYR 137 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1p6t n TYR 137 Cb 0.17 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.03 1p6t n TYR 137 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1p6t s LYS 138 N -1.90 0.12 0.49 -0.72 -2.85 -1.26 -4.10 119.74 109.52 1p6t s LYS 138 Ca 0.00 0.26 -0.10 0.00 -1.00 0.00 0.00 55.97 55.13 1p6t s LYS 138 Cb 0.00 -0.58 -0.05 0.00 -2.06 0.00 0.00 37.83 35.13 1p6t s LYS 138 CO 0.00 -0.28 0.86 -0.51 0.10 0.00 0.00 175.35 175.51 1p6t s LEU 139 N 1.88 3.62 0.31 2.77 1.43 -1.26 -1.37 118.68 126.07 1p6t s LEU 139 Ca 0.02 1.20 0.05 0.00 -1.03 0.00 0.00 54.13 54.36 1p6t s LEU 139 Cb -0.12 -4.14 -0.03 0.00 0.03 0.00 0.00 46.19 41.93 1p6t s LEU 139 CO -0.03 -0.57 0.29 -0.54 0.23 0.00 0.00 176.35 175.72 1p6t s LYS 140 N -4.40 1.69 0.12 1.70 1.02 0.11 -4.91 119.74 115.08 1p6t s LYS 140 Ca 0.52 -1.92 0.09 0.00 0.02 0.00 0.00 55.97 54.68 1p6t s LYS 140 Cb -0.10 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.50 1p6t s LYS 140 CO 0.40 -0.63 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.50 1p6t s LEU 141 N -3.32 2.68 -1.43 3.17 1.02 -1.26 -0.39 118.68 119.14 1p6t s LEU 141 Ca 0.39 -0.57 -0.09 0.00 0.02 0.00 0.00 54.13 53.88 1p6t s LEU 141 Cb 0.03 -1.52 -0.08 0.00 0.02 0.00 0.00 46.19 44.63 1p6t s LEU 141 CO 0.24 0.18 2.96 1.17 0.02 0.00 0.00 176.35 180.92 1p6t n LYS 142 N 0.80 3.64 -3.00 1.70 3.00 -1.05 -4.53 118.16 118.72 1p6t n LYS 142 Ca -0.16 -2.24 -0.19 0.00 -0.00 0.00 0.00 58.31 55.72 1p6t n LYS 142 Cb 0.53 -2.70 -0.00 0.00 0.00 0.00 0.00 35.03 32.86 1p6t n LYS 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1p6t n GLY 143 N 3.22 -0.49 0.29 3.14 0.00 -1.26 -4.84 105.19 105.24 1p6t n GLY 143 Ca 0.73 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.95 1p6t n GLY 143 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1p6t h GLU 144 N -0.67 0.00 0.00 1.61 -0.00 -1.90 -3.02 114.58 110.60 1p6t h GLU 144 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.97 1p6t h GLU 144 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.02 1p6t h GLU 144 CO 0.46 0.00 -0.56 1.04 -0.00 0.00 0.00 179.01 179.96 1p6t n GLN 145 N -4.04 0.30 -0.52 1.06 3.00 -1.26 -5.15 117.38 110.77 1p6t n GLN 145 Ca -0.03 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1p6t n GLN 145 Cb 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 30.24 29.31 1p6t n GLN 145 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1p6t n ASP 146 N -3.61 -2.93 -3.24 1.08 2.03 -1.15 -4.93 116.55 103.80 1p6t n ASP 146 Ca -0.08 0.57 -0.23 0.00 0.52 0.00 0.00 54.79 55.56 1p6t n ASP 146 Cb 0.29 -0.97 0.05 0.00 -0.72 0.00 0.00 41.12 39.77 1p6t n ASP 146 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1p6t n SER 147 N -1.65 -6.04 -3.40 1.67 2.88 -1.26 -4.87 113.62 100.96 1p6t n SER 147 Ca 0.00 -0.38 -0.33 0.00 -1.33 0.00 0.00 58.87 56.83 1p6t n SER 147 Cb 0.12 -4.84 -0.06 0.00 -0.75 0.00 0.00 64.21 58.68 1p6t n SER 147 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1p6t n ILE 148 N -4.63 1.01 -4.35 2.46 -5.35 -1.26 -4.84 119.36 102.40 1p6t n ILE 148 Ca -0.07 -0.77 -0.25 0.00 -0.27 0.00 0.00 62.75 61.40 1p6t n ILE 148 Cb 0.60 -2.04 -0.12 0.00 -1.74 0.00 0.00 39.64 36.34 1p6t n ILE 148 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1p6t s GLU 149 N 5.38 1.32 0.00 6.28 2.02 -1.26 -5.11 118.70 127.32 1p6t s GLU 149 Ca 0.48 -1.37 0.00 0.00 0.02 0.00 0.00 54.97 54.10 1p6t s GLU 149 Cb 0.11 -1.55 0.00 0.00 0.10 0.00 0.00 34.13 32.79 1p6t s GLU 149 CO 0.15 0.34 0.00 0.41 0.02 0.00 0.00 175.26 176.17 1p6t n GLY 150 N 0.56 0.10 0.00 -1.39 0.00 -1.26 -5.23 105.19 97.97 1p6t n GLY 150 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1p6t n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86