#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6t s LEU 2 N 0.00 4.52 0.42 3.17 2.01 -1.26 -4.74 118.68 122.80 1p6t s LEU 2 Ca 0.00 2.38 0.00 0.00 0.01 0.00 0.00 54.13 56.52 1p6t s LEU 2 Cb 0.00 -3.63 0.00 0.00 0.01 0.00 0.00 46.19 42.57 1p6t s LEU 2 CO 0.00 -0.25 0.00 -1.20 1.01 0.00 0.00 176.35 175.91 1p6t n SER 3 N 1.13 -7.29 -1.24 2.29 7.64 -1.26 -4.30 113.62 110.59 1p6t n SER 3 Ca -0.01 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1p6t n SER 3 Cb 0.44 -3.98 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 1p6t n SER 3 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1p6t n GLU 4 N -4.03 0.77 -4.87 1.43 4.71 -1.26 -4.72 120.64 112.67 1p6t n GLU 4 Ca -0.04 0.00 -0.26 0.00 -0.01 0.00 0.00 57.16 56.86 1p6t n GLU 4 Cb 0.57 -1.11 -0.15 0.00 -1.01 0.00 0.00 31.44 29.73 1p6t n GLU 4 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1p6t s GLN 5 N 0.32 1.50 0.36 3.49 -1.52 -1.26 -3.97 119.66 118.57 1p6t s GLN 5 Ca 0.00 -0.71 0.08 0.00 -1.95 0.00 0.00 55.36 52.78 1p6t s GLN 5 Cb 0.00 -1.47 -0.05 0.00 -0.22 0.00 0.00 33.01 31.27 1p6t s GLN 5 CO 0.00 0.40 0.08 -1.59 -0.25 0.00 0.00 175.29 173.93 1p6t s LYS 6 N -0.56 2.18 -0.44 2.91 -2.85 0.01 -0.29 119.74 120.71 1p6t s LYS 6 Ca 0.07 -1.73 0.03 0.00 -1.00 0.00 0.00 55.97 53.34 1p6t s LYS 6 Cb -0.07 -2.00 0.12 0.00 -2.06 0.00 0.00 37.83 33.82 1p6t s LYS 6 CO -0.00 0.07 0.20 -1.21 0.10 0.00 0.00 175.35 174.50 1p6t s GLU 7 N -3.79 1.51 -0.36 1.78 8.01 -1.26 -1.04 118.70 123.55 1p6t s GLU 7 Ca 0.37 -2.11 -0.20 0.00 0.01 0.00 0.00 54.97 53.04 1p6t s GLU 7 Cb 0.00 -2.82 0.00 0.00 -4.31 0.00 0.00 34.13 27.01 1p6t s GLU 7 CO 0.21 -1.08 0.61 -1.50 0.01 0.00 0.00 175.26 173.51 1p6t s ILE 8 N 0.35 4.91 -0.24 -1.63 1.10 -0.06 -4.87 121.20 120.76 1p6t s ILE 8 Ca 0.15 0.52 -0.08 0.00 -0.51 0.00 0.00 60.65 60.73 1p6t s ILE 8 Cb -0.23 -4.06 -0.04 0.00 0.15 0.00 0.00 42.46 38.28 1p6t s ILE 8 CO -0.04 -0.31 0.09 0.00 -2.11 0.00 0.00 174.94 172.57 1p6t s ALA 9 N 2.66 3.29 0.19 1.50 0.00 -1.26 -0.72 121.76 127.42 1p6t s ALA 9 Ca 0.23 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1p6t s ALA 9 Cb -0.15 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1p6t s ALA 9 CO 0.15 -0.35 0.14 -1.64 0.00 0.00 0.00 175.76 174.06 1p6t s MET 10 N 1.36 1.18 -0.16 0.00 -1.94 0.26 -3.03 119.30 116.97 1p6t s MET 10 Ca 0.06 -1.57 -0.01 0.00 -1.71 0.00 0.00 55.69 52.46 1p6t s MET 10 Cb -0.15 0.28 -0.01 0.00 2.01 0.00 0.00 34.83 36.96 1p6t s MET 10 CO 0.05 -0.39 -0.11 -1.14 -0.01 0.00 0.00 175.02 173.42 1p6t s GLN 11 N -4.13 3.36 -0.02 2.03 0.74 -1.26 -0.53 119.66 119.84 1p6t s GLN 11 Ca 0.35 -0.67 0.06 0.00 0.05 0.00 0.00 55.36 55.15 1p6t s GLN 11 Cb 0.06 -2.75 -0.01 0.00 1.10 0.00 0.00 33.01 31.41 1p6t s GLN 11 CO 0.10 0.06 -0.21 0.54 -0.55 0.00 0.00 175.29 175.23 1p6t s VAL 12 N 0.76 1.64 0.51 1.34 0.11 -1.17 -0.90 120.40 122.70 1p6t s VAL 12 Ca -0.04 -0.88 0.09 0.00 -2.93 0.00 0.00 61.98 58.22 1p6t s VAL 12 Cb -0.15 -1.37 0.06 0.00 -1.53 0.00 0.00 36.38 33.39 1p6t s VAL 12 CO 0.01 0.46 0.70 -0.44 -3.33 0.00 0.00 175.10 172.51 1p6t s SER 13 N -0.42 5.32 0.00 3.54 0.01 0.09 -4.54 113.70 117.69 1p6t s SER 13 Ca 0.06 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1p6t s SER 13 Cb -0.09 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1p6t s SER 13 CO -0.00 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.14 1p6t n GLY 14 N -2.09 2.32 3.30 3.44 0.00 -1.26 -4.04 105.19 106.87 1p6t n GLY 14 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1p6t n GLY 14 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1p6t n MET 15 N -2.00 1.01 0.08 1.61 0.00 -1.26 -4.68 117.12 111.87 1p6t n MET 15 Ca 0.00 -1.68 0.13 0.00 0.00 0.00 0.00 57.70 56.15 1p6t n MET 15 Cb 0.00 -2.96 0.40 0.00 0.00 0.00 0.00 33.22 30.66 1p6t n MET 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1p6t n THR 16 N 6.69 0.46 -3.53 1.12 -1.04 -1.26 -4.86 114.28 111.86 1p6t n THR 16 Ca 0.48 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.05 62.16 1p6t n THR 16 Cb 0.42 -0.49 -0.03 0.00 -1.82 0.00 0.00 70.33 68.41 1p6t n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p6t h ALA 18 N 2.24 2.31 -0.91 0.00 0.00 -2.00 0.12 119.26 121.02 1p6t h ALA 18 Ca -0.20 0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1p6t h ALA 18 Cb 1.21 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 1p6t h ALA 18 CO 0.31 -0.93 0.55 0.00 0.00 0.00 0.00 179.25 179.19 1p6t h ALA 19 N 1.75 1.32 0.45 0.00 0.00 -1.97 0.22 119.26 121.02 1p6t h ALA 19 Ca 0.77 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.67 1p6t h ALA 19 Cb 2.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1p6t h ALA 19 CO -0.53 0.20 -0.21 0.00 0.00 0.00 0.00 179.25 178.71 1p6t h ALA 21 N -0.25 -0.15 -0.88 0.00 0.00 -1.40 -1.72 119.26 114.86 1p6t h ALA 21 Ca -0.06 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1p6t h ALA 21 Cb 0.53 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1p6t h ALA 21 CO 0.10 -0.70 0.57 0.00 0.00 0.00 0.00 179.25 179.22 1p6t h ALA 22 N 0.79 1.61 -0.14 0.00 0.00 -0.41 0.12 119.26 121.22 1p6t h ALA 22 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1p6t h ALA 22 Cb 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1p6t h ALA 22 CO -0.49 0.23 0.06 0.00 0.00 0.00 0.00 179.25 179.06 1p6t h ARG 23 N 0.91 0.21 -0.06 0.00 2.47 -0.14 0.52 114.38 118.29 1p6t h ARG 23 Ca 0.39 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.08 1p6t h ARG 23 Cb 0.33 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 1p6t h ARG 23 CO -0.16 0.28 0.03 0.82 0.56 0.00 0.00 179.97 181.49 1p6t h ILE 24 N 0.09 1.00 -0.20 2.04 2.04 -0.37 -0.07 117.51 122.05 1p6t h ILE 24 Ca 0.05 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1p6t h ILE 24 Cb 0.14 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 37.08 1p6t h ILE 24 CO -0.01 0.01 -0.52 -0.33 0.00 0.00 0.00 178.15 177.30 1p6t h GLU 25 N 0.06 -0.50 -0.51 2.37 4.39 -0.75 0.28 114.58 119.91 1p6t h GLU 25 Ca 0.02 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.78 1p6t h GLU 25 Cb 0.01 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1p6t h GLU 25 CO -0.02 -0.34 0.34 -0.22 -1.16 0.00 0.00 179.01 177.62 1p6t h LYS 26 N -0.52 0.61 -0.18 2.33 3.64 -0.64 0.21 116.57 122.02 1p6t h LYS 26 Ca 0.05 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1p6t h LYS 26 Cb 0.66 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1p6t h LYS 26 CO -0.47 0.40 -0.25 0.78 -2.27 0.00 0.00 179.45 177.64 1p6t h GLY 27 N 0.63 0.53 1.00 5.01 0.00 -0.00 -3.10 103.07 107.13 1p6t h GLY 27 Ca 0.20 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1p6t h GLY 27 CO -0.05 0.52 0.26 1.41 0.00 0.00 0.00 176.54 178.69 1p6t h LEU 28 N 0.14 0.47 -1.21 3.11 3.38 0.35 -1.59 115.31 119.96 1p6t h LEU 28 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p6t h LEU 28 Cb 0.82 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1p6t h LEU 28 CO 0.06 0.35 0.15 0.11 0.09 0.00 0.00 178.44 179.20 1p6t h LYS 29 N 0.54 0.00 -0.65 1.13 1.57 -0.98 0.11 116.57 118.29 1p6t h LYS 29 Ca 0.15 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.01 1p6t h LYS 29 Cb -0.05 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 1p6t h LYS 29 CO -0.03 0.00 0.43 -0.09 -0.57 0.00 0.00 179.45 179.19 1p6t h ARG 30 N 0.00 0.54 -6.94 3.15 9.65 -1.21 -3.44 114.38 116.14 1p6t h ARG 30 Ca 0.00 -0.03 -0.46 0.00 -1.10 0.00 0.00 59.98 58.39 1p6t h ARG 30 Cb 0.31 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 1p6t h ARG 30 CO 0.00 0.36 0.31 -1.64 2.80 0.00 0.00 179.97 181.80 1p6t s MET 31 N -5.52 4.36 0.04 0.20 -1.94 0.37 -5.02 119.30 111.80 1p6t s MET 31 Ca -0.09 1.16 -0.18 0.00 -1.71 0.00 0.00 55.69 54.87 1p6t s MET 31 Cb 0.20 -2.49 -0.19 0.00 2.01 0.00 0.00 34.83 34.36 1p6t s MET 31 CO 0.76 0.13 1.22 -1.00 -0.01 0.00 0.00 175.02 176.12 1p6t h PRO 32 N 2.54 0.50 0.00 2.03 0.13 -1.87 -3.29 132.00 132.04 1p6t h PRO 32 Ca -0.48 -0.41 -0.02 0.00 -0.87 0.00 0.00 66.00 64.22 1p6t h PRO 32 Cb 1.19 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1p6t h PRO 32 CO 0.63 1.04 -0.09 0.78 -0.23 0.00 0.00 178.00 180.13 1p6t h GLY 33 N 0.08 0.00 -7.36 1.56 0.00 -1.87 -3.41 103.07 92.06 1p6t h GLY 33 Ca -0.04 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.79 1p6t h GLY 33 CO 0.10 0.00 1.63 -0.62 0.00 0.00 0.00 176.54 177.66 1p6t n VAL 34 N -3.27 -0.01 -0.04 4.60 0.31 -1.24 -0.79 118.33 117.89 1p6t n VAL 34 Ca -0.00 -0.54 -0.19 0.00 -0.01 0.00 0.00 64.34 63.60 1p6t n VAL 34 Cb 0.32 -2.13 -0.13 0.00 -0.91 0.00 0.00 33.84 30.99 1p6t n VAL 34 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1p6t h THR 35 N 7.67 1.28 -1.55 2.52 2.02 -1.17 -3.46 112.91 120.23 1p6t h THR 35 Ca -0.21 -2.34 -0.05 0.00 0.77 0.00 0.00 66.41 64.57 1p6t h THR 35 Cb 1.28 2.84 -0.26 0.00 -1.74 0.00 0.00 68.15 70.28 1p6t h THR 35 CO 1.18 0.58 -0.39 -0.62 0.37 0.00 0.00 175.52 176.64 1p6t s ASP 36 N -6.74 -0.43 -0.07 4.18 -1.08 -0.05 -5.01 116.67 107.47 1p6t s ASP 36 Ca -0.21 0.51 -0.19 0.00 -0.52 0.00 0.00 52.55 52.14 1p6t s ASP 36 Cb 0.02 1.55 -0.05 0.00 -1.46 0.00 0.00 42.92 42.98 1p6t s ASP 36 CO 0.71 -0.28 0.53 0.00 0.52 0.00 0.00 175.17 176.64 1p6t s ALA 37 N 2.67 3.49 0.10 3.66 0.00 -1.26 -0.32 121.76 130.11 1p6t s ALA 37 Ca 0.16 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.06 1p6t s ALA 37 Cb -0.15 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 1p6t s ALA 37 CO -0.18 0.09 -0.09 -0.80 0.00 0.00 0.00 175.76 174.79 1p6t s ASN 38 N 0.21 1.36 -0.26 0.00 0.02 0.57 -4.99 114.94 111.86 1p6t s ASN 38 Ca 0.28 -0.90 -0.06 0.00 -1.02 0.00 0.00 52.86 51.16 1p6t s ASN 38 Cb -0.16 0.04 0.13 0.00 0.02 0.00 0.00 41.25 41.27 1p6t s ASN 38 CO 0.14 -0.34 0.53 0.54 0.02 0.00 0.00 177.10 177.98 1p6t s VAL 39 N -2.95 -0.84 -0.66 1.60 0.11 -1.26 -0.49 120.40 115.92 1p6t s VAL 39 Ca 0.09 0.04 -0.21 0.00 -2.93 0.00 0.00 61.98 58.97 1p6t s VAL 39 Cb 0.00 -0.87 0.09 0.00 -1.53 0.00 0.00 36.38 34.07 1p6t s VAL 39 CO -0.02 0.00 0.89 0.20 -3.33 0.00 0.00 175.10 172.85 1p6t s ASN 40 N 2.76 6.21 0.47 3.54 -0.87 0.60 -4.89 114.94 122.75 1p6t s ASN 40 Ca 0.04 -1.22 0.13 0.00 -1.57 0.00 0.00 52.86 50.24 1p6t s ASN 40 Cb -0.13 -2.38 1.10 0.00 -0.02 0.00 0.00 41.25 39.82 1p6t s ASN 40 CO -0.17 -1.31 2.09 0.17 -2.57 0.00 0.00 177.10 175.31 1p6t h LEU 41 N 10.82 0.22 -1.17 0.60 -0.00 -1.93 0.12 115.31 123.97 1p6t h LEU 41 Ca -0.26 -0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.64 1p6t h LEU 41 Cb 1.07 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 41.63 1p6t h LEU 41 CO 1.15 0.15 0.56 0.00 -0.00 0.00 0.00 178.44 180.30 1p6t h ALA 42 N 1.85 1.44 -0.30 0.17 0.00 -1.95 -1.42 119.26 119.06 1p6t h ALA 42 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1p6t h ALA 42 Cb 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1p6t h ALA 42 CO -0.02 0.49 0.00 0.25 0.00 0.00 0.00 179.25 179.97 1p6t n THR 43 N -4.43 1.54 -4.49 0.00 -2.24 -1.03 -4.99 114.28 98.65 1p6t n THR 43 Ca 0.11 -1.38 -0.41 0.00 -2.27 0.00 0.00 64.05 60.11 1p6t n THR 43 Cb 0.08 0.18 -0.08 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.04 -0.98 -3.84 -0.78 1.02 0.05 -4.91 120.64 111.23 1p6t n GLU 44 Ca 0.15 0.16 -0.36 0.00 -0.02 0.00 0.00 57.16 57.09 1p6t n GLU 44 Cb 0.61 -4.60 -0.13 0.00 -0.02 0.00 0.00 31.44 27.30 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 -3.41 3.50 -0.17 2.62 2.01 0.21 -3.04 115.64 117.37 1p6t s THR 45 Ca 0.71 -0.89 -0.19 0.00 0.31 0.00 0.00 61.69 61.64 1p6t s THR 45 Cb -0.41 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 1p6t s THR 45 CO 1.02 0.09 0.51 0.54 -0.69 0.00 0.00 174.62 176.09 1p6t s VAL 46 N 1.41 5.13 -0.15 3.82 0.11 0.31 -0.29 120.40 130.74 1p6t s VAL 46 Ca 0.01 0.98 -0.00 0.00 -2.93 0.00 0.00 61.98 60.03 1p6t s VAL 46 Cb -0.17 -3.84 0.03 0.00 -1.53 0.00 0.00 36.38 30.87 1p6t s VAL 46 CO -0.00 0.22 -0.08 0.21 -3.33 0.00 0.00 175.10 172.12 1p6t s ASN 47 N 0.98 2.64 -0.15 3.54 2.47 0.36 -0.58 114.94 124.20 1p6t s ASN 47 Ca 0.25 -0.54 0.02 0.00 0.42 0.00 0.00 52.86 53.01 1p6t s ASN 47 Cb -0.15 -0.95 0.01 0.00 -1.45 0.00 0.00 41.25 38.71 1p6t s ASN 47 CO 0.10 -0.14 -0.19 -0.69 -3.72 0.00 0.00 177.10 172.45 1p6t s VAL 48 N 1.62 1.91 -0.29 -5.21 1.01 0.10 -0.32 120.40 119.22 1p6t s VAL 48 Ca 0.03 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1p6t s VAL 48 Cb -0.14 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1p6t s VAL 48 CO -0.08 0.52 0.19 -0.63 0.00 0.00 0.00 175.10 175.09 1p6t s ILE 49 N 1.04 5.18 0.20 2.22 1.09 0.57 -0.88 121.20 130.63 1p6t s ILE 49 Ca -0.03 0.05 -0.18 0.00 -1.10 0.00 0.00 60.65 59.39 1p6t s ILE 49 Cb -0.14 -3.51 0.03 0.00 -1.06 0.00 0.00 42.46 37.78 1p6t s ILE 49 CO -0.06 0.20 0.54 -0.72 -0.10 0.00 0.00 174.94 174.81 1p6t s TYR 50 N 1.73 -0.11 -0.12 3.97 1.13 -0.21 -0.73 117.35 123.02 1p6t s TYR 50 Ca 0.07 -0.24 -0.25 0.00 -1.41 0.00 0.00 57.07 55.24 1p6t s TYR 50 Cb -0.16 0.41 -0.02 0.00 -1.10 0.00 0.00 41.96 41.09 1p6t s TYR 50 CO 0.10 -0.95 0.79 0.34 -2.51 0.00 0.00 175.55 173.32 1p6t s ASP 51 N -2.88 6.99 -0.06 -0.18 -1.08 0.03 -0.81 116.67 118.68 1p6t s ASP 51 Ca 0.10 1.21 0.01 0.00 -0.52 0.00 0.00 52.55 53.34 1p6t s ASP 51 Cb -0.01 -2.45 0.10 0.00 -1.46 0.00 0.00 42.92 39.11 1p6t s ASP 51 CO -0.02 -0.29 1.04 -0.81 0.52 0.00 0.00 175.17 175.62 1p6t n PRO 52 N 4.62 1.27 0.00 4.34 -0.04 -1.25 -3.59 135.00 140.35 1p6t n PRO 52 Ca 0.02 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 1p6t n PRO 52 Cb 0.50 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.22 0.61 0.00 0.55 0.00 -1.26 -4.85 120.51 115.78 1p6t n ALA 53 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1p6t n ALA 53 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 1.85 0.00 0.00 1.02 -1.24 -5.05 120.64 117.23 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 0.40 -0.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 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 -1.88 0.00 0.00 2.62 -1.04 -1.25 -4.82 114.28 107.91 1p6t n THR 55 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1p6t n THR 55 Cb 0.38 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 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 3.17 2.47 0.30 3.41 0.00 -1.26 -4.51 105.19 108.78 1p6t n GLY 56 Ca 0.00 -1.44 0.15 0.00 0.00 0.00 0.00 46.02 44.73 1p6t n GLY 56 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1p6t n THR 57 N 1.80 -0.37 -0.34 2.61 5.66 -1.26 0.17 114.28 122.55 1p6t n THR 57 Ca 0.00 1.92 -0.03 0.00 -3.05 0.00 0.00 64.05 62.89 1p6t n THR 57 Cb 0.00 -2.85 0.09 0.00 -1.55 0.00 0.00 70.33 66.02 1p6t n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p6t h ALA 58 N 1.77 1.17 -0.27 1.79 0.00 -1.89 -1.19 119.26 120.63 1p6t h ALA 58 Ca 0.56 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.25 1p6t h ALA 58 Cb 1.22 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1p6t h ALA 58 CO -0.81 0.63 -0.33 0.00 0.00 0.00 0.00 179.25 178.74 1p6t h ALA 59 N 1.30 0.91 0.23 0.00 0.00 -0.51 0.13 119.26 121.33 1p6t h ALA 59 Ca 0.33 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1p6t h ALA 59 Cb -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1p6t h ALA 59 CO -0.06 0.62 -0.15 0.82 0.00 0.00 0.00 179.25 180.48 1p6t h ILE 60 N 0.50 0.68 -0.70 0.00 1.08 -0.75 -0.05 117.51 118.26 1p6t h ILE 60 Ca 0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 1p6t h ILE 60 Cb 0.82 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 35.21 1p6t h ILE 60 CO 0.07 0.00 0.35 0.06 -0.69 0.00 0.00 178.15 177.94 1p6t h GLN 61 N -0.38 0.99 -0.91 2.37 3.07 -1.12 -2.09 115.11 117.04 1p6t h GLN 61 Ca -0.02 -0.14 0.15 0.00 0.09 0.00 0.00 58.65 58.73 1p6t h GLN 61 Cb 0.32 -0.18 -0.09 0.00 0.08 0.00 0.00 27.48 27.60 1p6t h GLN 61 CO 0.01 0.77 0.52 1.49 0.09 0.00 0.00 178.83 181.71 1p6t h GLU 62 N 0.97 0.72 0.29 0.06 4.81 -0.32 0.87 114.58 121.97 1p6t h GLU 62 Ca 0.24 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1p6t h GLU 62 Cb 0.10 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1p6t h GLU 62 CO -0.03 0.47 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.30 1p6t h LYS 63 N 0.74 -0.47 -0.55 1.92 1.63 -0.33 0.47 116.57 119.98 1p6t h LYS 63 Ca 0.49 0.03 0.11 0.00 -0.85 0.00 0.00 60.65 60.43 1p6t h LYS 63 Cb 0.66 0.11 -0.09 0.00 -0.60 0.00 0.00 32.23 32.30 1p6t h LYS 63 CO -0.34 -0.31 0.00 0.82 -3.45 0.00 0.00 179.45 176.17 1p6t h ILE 64 N -0.49 0.56 0.43 2.00 2.04 -0.75 0.53 117.51 121.84 1p6t h ILE 64 Ca -0.02 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1p6t h ILE 64 Cb 0.42 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1p6t h ILE 64 CO 0.01 0.02 -0.21 -0.33 0.00 0.00 0.00 178.15 177.64 1p6t h GLU 65 N 0.12 -0.56 0.00 2.37 5.08 -0.50 -2.50 114.58 118.59 1p6t h GLU 65 Ca 0.28 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 1p6t h GLU 65 Cb 0.43 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1p6t h GLU 65 CO -0.46 -0.37 -0.14 0.87 -1.00 0.00 0.00 179.01 177.91 1p6t h LYS 66 N -0.58 0.00 0.00 2.33 6.56 -0.54 0.14 116.57 124.48 1p6t h LYS 66 Ca -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1p6t h LYS 66 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.10 1p6t h LYS 66 CO 0.10 0.14 0.00 1.28 -2.06 0.00 0.00 179.45 178.91 1p6t n LEU 67 N -3.79 0.00 -0.38 2.94 4.77 0.15 -4.88 117.00 115.81 1p6t n LEU 67 Ca -0.02 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1p6t n LEU 67 Cb 0.25 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1p6t n LEU 67 CO 0.32 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1p6t n GLY 68 N -0.20 0.85 3.48 -0.72 0.00 0.49 -5.05 105.19 104.03 1p6t n GLY 68 Ca 0.03 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.50 1.81 0.00 1.61 1.51 -0.98 -5.04 117.35 113.76 1p6t s TYR 69 Ca 0.00 -1.19 0.01 0.00 -1.01 0.00 0.00 57.07 54.88 1p6t s TYR 69 Cb 0.00 -1.17 -0.00 0.00 -0.11 0.00 0.00 41.96 40.68 1p6t s TYR 69 CO 0.00 -0.22 -0.03 -1.58 -1.11 0.00 0.00 175.55 172.61 1p6t s HIS 70 N -3.28 0.26 -0.07 2.71 2.46 -1.26 -4.16 115.29 111.95 1p6t s HIS 70 Ca 0.28 -0.10 -0.09 0.00 0.47 0.00 0.00 55.06 55.62 1p6t s HIS 70 Cb 0.05 -0.16 -0.05 0.00 -0.13 0.00 0.00 32.58 32.29 1p6t s HIS 70 CO 0.15 -0.02 0.23 0.14 -2.47 0.00 0.00 174.74 172.76 1p6t s VAL 71 N -0.23 5.36 -1.00 0.89 -7.23 -1.26 -0.73 120.40 116.19 1p6t s VAL 71 Ca -0.01 0.38 -0.07 0.00 -1.81 0.00 0.00 61.98 60.47 1p6t s VAL 71 Cb -0.02 -3.50 -0.07 0.00 0.56 0.00 0.00 36.38 33.34 1p6t s VAL 71 CO -0.00 0.58 2.99 0.52 -0.31 0.00 0.00 175.10 178.88 1p6t n VAL 72 N 1.85 4.06 -5.24 1.32 0.31 -0.08 -4.87 118.33 115.69 1p6t n VAL 72 Ca -0.17 -2.74 -0.32 0.00 -0.01 0.00 0.00 64.34 61.10 1p6t n VAL 72 Cb 0.54 -2.21 -0.16 0.00 -0.91 0.00 0.00 33.84 31.10 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 0.58 2.10 -0.02 2.52 2.01 -1.26 -4.07 115.64 117.50 1p6t s THR 73 Ca 0.64 -1.04 0.05 0.00 0.31 0.00 0.00 61.69 61.65 1p6t s THR 73 Cb 0.24 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 1p6t s THR 73 CO -0.07 0.57 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.65 1p6t s GLU 74 N -0.10 1.52 -1.19 4.92 0.41 0.50 -4.87 118.70 119.89 1p6t s GLU 74 Ca -0.05 -0.60 -0.07 0.00 -0.41 0.00 0.00 54.97 53.83 1p6t s GLU 74 Cb -0.14 -1.41 0.23 0.00 -1.78 0.00 0.00 34.13 31.03 1p6t s GLU 74 CO 0.04 0.32 1.68 0.36 -0.49 0.00 0.00 175.26 177.17 1p6t n LYS 75 N 2.85 3.98 -3.03 1.61 2.85 -1.26 -1.39 118.16 123.78 1p6t n LYS 75 Ca -0.16 -3.99 -0.34 0.00 -1.05 0.00 0.00 58.31 52.77 1p6t n LYS 75 Cb 0.54 -2.74 -0.06 0.00 -0.65 0.00 0.00 35.03 32.11 1p6t n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p6t s ALA 76 N -0.97 3.26 -0.11 0.58 0.00 0.19 -4.85 121.76 119.86 1p6t s ALA 76 Ca 0.36 0.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.45 1p6t s ALA 76 Cb 0.07 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 1p6t s ALA 76 CO 0.05 0.27 0.10 -1.21 0.00 0.00 0.00 175.76 174.96 1p6t s GLU 77 N -2.78 3.31 0.09 0.00 0.41 -1.26 -0.24 118.70 118.23 1p6t s GLU 77 Ca 0.54 -0.22 0.06 0.00 -0.41 0.00 0.00 54.97 54.94 1p6t s GLU 77 Cb -0.12 -3.07 -0.03 0.00 -1.78 0.00 0.00 34.13 29.13 1p6t s GLU 77 CO 0.17 0.75 -0.16 -0.06 -0.49 0.00 0.00 175.26 175.47 1p6t s PHE 78 N -0.97 1.42 0.12 1.61 0.40 0.47 -1.21 117.98 119.82 1p6t s PHE 78 Ca 0.14 -0.46 0.04 0.00 -0.60 0.00 0.00 56.93 56.06 1p6t s PHE 78 Cb -0.12 -0.78 -0.04 0.00 0.51 0.00 0.00 43.02 42.59 1p6t s PHE 78 CO 0.03 0.11 0.10 0.34 0.70 0.00 0.00 175.22 176.51 1p6t s ASP 79 N -1.87 5.52 -0.10 1.36 -1.08 0.68 -0.41 116.67 120.77 1p6t s ASP 79 Ca 0.02 -0.07 0.03 0.00 -0.52 0.00 0.00 52.55 52.01 1p6t s ASP 79 Cb -0.09 -1.46 0.01 0.00 -1.46 0.00 0.00 42.92 39.91 1p6t s ASP 79 CO 0.03 0.13 -0.20 -0.63 0.52 0.00 0.00 175.17 175.02 1p6t s ILE 80 N -1.55 1.79 -0.15 4.11 1.01 0.47 -0.17 121.20 126.72 1p6t s ILE 80 Ca 0.30 -0.85 0.10 0.00 0.00 0.00 0.00 60.65 60.20 1p6t s ILE 80 Cb -0.11 -1.58 0.19 0.00 0.01 0.00 0.00 42.46 40.97 1p6t s ILE 80 CO 0.23 0.50 1.12 1.21 0.00 0.00 0.00 174.94 177.99 1p6t n GLU 81 N 3.79 2.27 -0.06 2.79 2.13 -0.42 -4.72 120.64 126.42 1p6t n GLU 81 Ca -0.20 -2.11 -0.08 0.00 0.66 0.00 0.00 57.16 55.44 1p6t n GLU 81 Cb 0.52 -1.30 -0.06 0.00 0.27 0.00 0.00 31.44 30.87 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 -0.81 -0.20 3.57 8.31 0.00 -1.24 -4.75 105.19 110.07 1p6t n GLY 82 Ca 0.09 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1p6t n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1p6t n MET 83 N -2.80 1.08 -0.57 1.61 0.00 -1.26 -4.92 117.12 110.25 1p6t n MET 83 Ca -0.21 0.39 0.06 0.00 0.00 0.00 0.00 57.70 57.95 1p6t n MET 83 Cb 0.74 -1.92 0.18 0.00 0.00 0.00 0.00 33.22 32.22 1p6t n MET 83 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1p6t n THR 84 N -0.77 1.95 -2.84 3.17 5.66 -1.26 -5.00 114.28 115.18 1p6t n THR 84 Ca 0.10 -2.85 -0.07 0.00 -3.05 0.00 0.00 64.05 58.19 1p6t n THR 84 Cb 0.40 -0.13 0.03 0.00 -1.55 0.00 0.00 70.33 69.08 1p6t n THR 84 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p6t n ALA 86 N -2.34 1.63 -2.01 0.00 0.00 -1.26 -5.04 120.51 111.50 1p6t n ALA 86 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 1p6t n ALA 86 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.70 2.45 -0.05 0.00 0.00 -1.26 -4.96 120.51 114.99 1p6t n ALA 87 Ca 0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.02 1p6t n ALA 87 Cb 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.25 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 0.62 1.93 -0.63 0.00 0.00 -1.97 0.24 119.26 119.45 1p6t h ALA 89 Ca 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1p6t h ALA 89 Cb 0.66 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1p6t h ALA 89 CO 0.03 -0.07 0.24 -0.97 0.00 0.00 0.00 179.25 178.49 1p6t h ASN 90 N 0.51 0.87 -0.00 0.00 -0.73 -1.61 0.14 115.58 114.77 1p6t h ASN 90 Ca 0.30 -0.18 -0.00 0.00 1.87 0.00 0.00 56.30 58.29 1p6t h ASN 90 Cb 0.49 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 38.86 1p6t h ASN 90 CO -0.09 0.81 -0.00 -0.09 -0.37 0.00 0.00 177.43 177.69 1p6t h ARG 91 N 0.88 0.00 -0.60 6.67 1.12 0.64 -2.69 114.38 120.40 1p6t h ARG 91 Ca 0.21 -0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 59.04 1p6t h ARG 91 Cb 0.22 -0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.15 1p6t h ARG 91 CO -0.02 0.41 0.22 -0.84 -3.11 0.00 0.00 179.97 176.64 1p6t h ILE 92 N -0.41 1.22 0.33 1.20 -0.00 -1.01 -3.09 117.51 115.76 1p6t h ILE 92 Ca 0.00 -0.72 -0.00 0.00 -0.00 0.00 0.00 64.86 64.14 1p6t h ILE 92 Cb 0.41 0.52 -0.03 0.00 -0.00 0.00 0.00 36.82 37.72 1p6t h ILE 92 CO 0.00 0.28 -0.48 -0.08 -0.00 0.00 0.00 178.15 177.87 1p6t h GLU 93 N 0.87 -0.81 -0.36 0.16 4.22 -0.63 0.18 114.58 118.21 1p6t h GLU 93 Ca 0.20 0.06 0.10 0.00 0.08 0.00 0.00 59.36 59.80 1p6t h GLU 93 Cb 0.20 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1p6t h GLU 93 CO -0.02 -0.54 0.33 0.87 -2.18 0.00 0.00 179.01 177.47 1p6t h LYS 94 N -0.85 0.00 0.00 1.92 6.56 -1.47 0.20 116.57 122.94 1p6t h LYS 94 Ca -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1p6t h LYS 94 Cb 0.77 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.43 1p6t h LYS 94 CO -0.14 0.00 0.00 0.54 -2.06 0.00 0.00 179.45 177.79 1p6t n ARG 95 N -3.97 0.00 -0.34 3.15 5.12 -0.37 -4.22 116.66 116.04 1p6t n ARG 95 Ca 0.06 0.44 0.02 0.00 -1.93 0.00 0.00 57.85 56.43 1p6t n ARG 95 Cb 0.50 -1.12 0.08 0.00 -1.16 0.00 0.00 32.46 30.77 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 -1.11 -0.80 0.55 3.38 -0.03 -1.11 115.31 116.19 1p6t h LEU 96 Ca 0.00 0.29 0.33 0.00 0.09 0.00 0.00 57.88 58.59 1p6t h LEU 96 Cb 0.00 0.65 -0.14 0.00 0.09 0.00 0.00 40.66 41.25 1p6t h LEU 96 CO 0.00 -0.30 0.40 -3.20 0.09 0.00 0.00 178.44 175.43 1p6t n ASN 97 N -5.54 0.25 -2.97 -0.43 2.85 0.65 -2.66 115.26 107.42 1p6t n ASN 97 Ca 0.12 1.34 -0.12 0.00 -0.11 0.00 0.00 54.58 55.80 1p6t n ASN 97 Cb 0.43 -0.64 -0.02 0.00 1.24 0.00 0.00 39.78 40.79 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 -4.84 0.46 0.00 1.20 2.85 -0.45 -4.09 118.16 113.29 1p6t n LYS 98 Ca 0.30 -2.41 0.00 0.00 -1.05 0.00 0.00 58.31 55.15 1p6t n LYS 98 Cb 1.01 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.87 1p6t n LYS 98 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1p6t n ILE 99 N 2.71 0.00 0.00 0.58 2.08 -0.99 -4.97 119.36 118.78 1p6t n ILE 99 Ca 0.21 0.98 0.00 0.00 0.56 0.00 0.00 62.75 64.50 1p6t n ILE 99 Cb 0.54 -1.85 0.00 0.00 -0.75 0.00 0.00 39.64 37.58 1p6t n ILE 99 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1p6t n GLU 100 N -1.26 0.00 -1.20 0.38 1.02 -1.26 -4.95 120.64 113.37 1p6t n GLU 100 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1p6t n GLU 100 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p6t n GLY 101 N 0.30 3.62 3.20 0.62 0.00 -1.17 -4.33 105.19 107.43 1p6t n GLY 101 Ca 0.00 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 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 0.72 2.64 -0.05 1.61 1.01 -1.26 -0.56 120.40 124.51 1p6t s VAL 102 Ca 0.66 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 61.65 1p6t s VAL 102 Cb 0.29 -2.15 -0.23 0.00 0.00 0.00 0.00 36.38 34.28 1p6t s VAL 102 CO -0.05 0.49 1.04 0.00 0.00 0.00 0.00 175.10 176.58 1p6t h ALA 103 N 7.99 0.03 -2.83 5.51 0.00 -0.70 -3.43 119.26 125.84 1p6t h ALA 103 Ca -0.44 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.00 1p6t h ALA 103 Cb 1.15 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1p6t h ALA 103 CO 0.62 0.04 -0.06 -0.80 0.00 0.00 0.00 179.25 179.05 1p6t s ASN 104 N -6.22 -0.15 -0.48 0.00 0.01 -0.79 -4.66 114.94 102.65 1p6t s ASN 104 Ca -0.16 -0.72 0.05 0.00 -0.71 0.00 0.00 52.86 51.32 1p6t s ASN 104 Cb 0.01 0.57 0.22 0.00 0.41 0.00 0.00 41.25 42.45 1p6t s ASN 104 CO 0.73 -1.09 0.85 0.00 -1.51 0.00 0.00 177.10 176.09 1p6t n ALA 105 N -0.35 -2.02 -1.77 0.60 0.00 -1.26 -0.44 120.51 115.27 1p6t n ALA 105 Ca -0.06 -1.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.00 1p6t n ALA 105 Cb 0.62 -1.73 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 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 0.77 4.35 -0.11 0.00 0.04 -1.15 -4.46 135.00 134.45 1p6t s PRO 106 Ca 0.30 1.65 -0.06 0.00 0.04 0.00 0.00 61.00 62.93 1p6t s PRO 106 Cb 0.11 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 1p6t s PRO 106 CO -0.13 -0.01 0.14 0.14 0.04 0.00 0.00 177.00 177.18 1p6t s VAL 107 N -1.44 5.44 0.04 -0.36 -7.23 -1.26 -0.93 120.40 114.66 1p6t s VAL 107 Ca 0.52 0.15 -0.06 0.00 -1.81 0.00 0.00 61.98 60.78 1p6t s VAL 107 Cb -0.27 -3.39 -0.29 0.00 0.56 0.00 0.00 36.38 32.99 1p6t s VAL 107 CO 0.34 0.59 0.99 0.78 -0.31 0.00 0.00 175.10 177.49 1p6t h ASN 108 N 4.87 0.49 0.00 4.85 4.21 -1.28 -3.48 115.58 125.24 1p6t h ASN 108 Ca -0.54 -0.58 0.00 0.00 1.21 0.00 0.00 56.30 56.39 1p6t h ASN 108 Cb 1.22 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.26 1p6t h ASN 108 CO 0.59 1.47 0.00 0.49 -1.29 0.00 0.00 177.43 178.69 1p6t n PHE 109 N -3.53 0.00 -0.05 1.19 3.72 -1.25 -4.42 117.46 113.12 1p6t n PHE 109 Ca -0.14 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.19 1p6t n PHE 109 Cb 1.05 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.70 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 0.90 -0.19 4.37 0.00 -1.92 -0.07 119.26 122.35 1p6t h ALA 110 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1p6t h ALA 110 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1p6t h ALA 110 CO 0.00 0.62 0.00 1.28 0.00 0.00 0.00 179.25 181.15 1p6t n LEU 111 N -4.09 2.54 -3.38 0.00 4.77 -1.26 -4.99 117.00 110.59 1p6t n LEU 111 Ca -0.01 -1.00 -0.19 0.00 -0.03 0.00 0.00 56.01 54.78 1p6t n LEU 111 Cb 0.45 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1p6t n LEU 111 CO 0.44 0.50 0.02 -0.62 -1.33 0.00 0.00 177.39 176.40 1p6t n GLU 112 N 0.93 -1.82 -4.03 3.23 1.02 -0.04 -4.87 120.64 115.06 1p6t n GLU 112 Ca 0.17 0.79 -0.09 0.00 -0.02 0.00 0.00 57.16 58.02 1p6t n GLU 112 Cb 0.49 -5.21 -0.09 0.00 -0.02 0.00 0.00 31.44 26.61 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 -3.37 0.14 -0.03 2.62 -4.23 -1.26 -0.39 115.64 109.12 1p6t s THR 113 Ca 0.41 -1.62 -0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1p6t s THR 113 Cb -0.09 -1.68 0.03 0.00 1.34 0.00 0.00 72.50 72.10 1p6t s THR 113 CO 0.78 -0.65 0.03 0.54 -0.54 0.00 0.00 174.62 174.78 1p6t s VAL 114 N -3.95 0.01 0.23 2.29 0.11 0.45 -0.66 120.40 118.89 1p6t s VAL 114 Ca 0.13 0.22 -0.26 0.00 -2.93 0.00 0.00 61.98 59.14 1p6t s VAL 114 Cb 0.06 -0.17 -0.09 0.00 -1.53 0.00 0.00 36.38 34.66 1p6t s VAL 114 CO -0.05 0.13 0.86 -0.89 -3.33 0.00 0.00 175.10 171.82 1p6t s THR 115 N 1.32 4.27 -0.17 5.04 2.01 -0.11 -0.40 115.64 127.61 1p6t s THR 115 Ca -0.06 1.79 0.01 0.00 0.31 0.00 0.00 61.69 63.74 1p6t s THR 115 Cb -0.13 -4.13 0.03 0.00 0.01 0.00 0.00 72.50 68.28 1p6t s THR 115 CO -0.03 0.38 -0.13 0.54 -0.69 0.00 0.00 174.62 174.70 1p6t s VAL 116 N -1.32 1.64 -0.64 3.82 0.11 0.66 -2.92 120.40 121.75 1p6t s VAL 116 Ca 0.42 -0.81 -0.10 0.00 -2.93 0.00 0.00 61.98 58.55 1p6t s VAL 116 Cb -0.22 -1.61 0.17 0.00 -1.53 0.00 0.00 36.38 33.19 1p6t s VAL 116 CO 0.27 0.34 0.54 -0.70 -3.33 0.00 0.00 175.10 172.22 1p6t s GLU 117 N 1.43 2.96 0.22 1.54 -6.30 0.41 -0.64 118.70 118.33 1p6t s GLU 117 Ca 0.02 -2.18 -0.10 0.00 -2.50 0.00 0.00 54.97 50.22 1p6t s GLU 117 Cb -0.14 -4.11 -0.01 0.00 0.00 0.00 0.00 34.13 29.87 1p6t s GLU 117 CO -0.10 -1.24 0.37 1.52 0.02 0.00 0.00 175.26 175.83 1p6t s TYR 118 N 0.64 0.53 -0.59 5.30 1.13 -0.49 -0.02 117.35 123.86 1p6t s TYR 118 Ca 0.12 -0.86 -0.12 0.00 -1.41 0.00 0.00 57.07 54.80 1p6t s TYR 118 Cb -0.20 -0.01 0.15 0.00 -1.10 0.00 0.00 41.96 40.80 1p6t s TYR 118 CO -0.04 -0.87 0.51 1.21 -2.51 0.00 0.00 175.55 173.85 1p6t s ASN 119 N -3.04 6.08 0.00 -0.18 3.84 0.28 -0.37 114.94 121.55 1p6t s ASN 119 Ca 0.25 -2.13 0.00 0.00 0.21 0.00 0.00 52.86 51.18 1p6t s ASN 119 Cb 0.02 -2.11 0.00 0.00 -0.55 0.00 0.00 41.25 38.60 1p6t s ASN 119 CO 0.08 -0.70 0.97 -0.81 -2.79 0.00 0.00 177.10 173.86 1p6t n PRO 120 N 4.69 0.91 -0.06 0.43 -0.04 -1.26 -2.31 135.00 137.35 1p6t n PRO 120 Ca -0.04 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.31 1p6t n PRO 120 Cb 0.42 -1.05 -0.05 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.62 0.29 0.30 0.54 4.76 -1.26 -4.70 118.16 118.71 1p6t n LYS 121 Ca 0.00 0.10 -0.15 0.00 -2.87 0.00 0.00 58.31 55.39 1p6t n LYS 121 Cb 0.45 -1.09 -0.08 0.00 -1.84 0.00 0.00 35.03 32.47 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 -0.26 -0.74 0.00 1.97 4.39 -1.82 -3.47 114.58 114.64 1p6t h GLU 122 Ca -0.31 0.05 -0.24 0.00 0.34 0.00 0.00 59.36 59.20 1p6t h GLU 122 Cb 1.35 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 30.13 1p6t h GLU 122 CO -0.13 -0.43 -0.16 0.00 -1.16 0.00 0.00 179.01 177.13 1p6t n ALA 123 N -2.59 0.22 -3.84 3.43 0.00 -1.13 -5.04 120.51 111.56 1p6t n ALA 123 Ca -0.11 -0.88 -0.07 0.00 0.00 0.00 0.00 53.44 52.39 1p6t n ALA 123 Cb 0.34 0.44 -0.02 0.00 0.00 0.00 0.00 19.45 20.21 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 -2.14 -0.23 0.42 0.00 1.04 -1.26 -4.28 113.70 107.25 1p6t s SER 124 Ca 0.04 -0.61 0.27 0.00 0.48 0.00 0.00 55.95 56.13 1p6t s SER 124 Cb -0.00 0.70 1.37 0.00 0.10 0.00 0.00 66.02 68.19 1p6t s SER 124 CO 0.03 -1.30 1.63 0.58 0.98 0.00 0.00 173.24 175.15 1p6t h VAL 125 N 2.00 0.15 -0.71 5.02 2.07 -1.99 0.45 116.25 123.23 1p6t h VAL 125 Ca -0.21 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.34 1p6t h VAL 125 Cb 1.25 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1p6t h VAL 125 CO 0.24 0.02 0.40 0.28 0.02 0.00 0.00 177.57 178.53 1p6t h SER 126 N 0.11 0.58 0.16 0.57 0.02 -1.99 0.19 113.55 113.19 1p6t h SER 126 Ca 0.80 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.78 1p6t h SER 126 Cb 2.41 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.88 1p6t h SER 126 CO -0.46 0.36 -0.08 -0.78 -1.14 0.00 0.00 176.83 174.73 1p6t h ASP 127 N 0.71 -0.18 -0.53 3.07 3.58 -1.31 -1.62 116.42 120.15 1p6t h ASP 127 Ca 0.33 -0.04 0.07 0.00 0.42 0.00 0.00 57.03 57.80 1p6t h ASP 127 Cb 0.24 0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.28 1p6t h ASP 127 CO -0.20 -0.07 0.22 -0.07 -2.88 0.00 0.00 179.24 176.23 1p6t h LEU 128 N -0.27 0.25 -0.32 2.28 3.38 -1.31 0.18 115.31 119.50 1p6t h LEU 128 Ca -0.02 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1p6t h LEU 128 Cb 0.21 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1p6t h LEU 128 CO 0.04 0.17 0.02 0.11 0.09 0.00 0.00 178.44 178.87 1p6t h LYS 129 N 0.42 0.11 -0.28 1.13 1.79 -0.49 0.89 116.57 120.14 1p6t h LYS 129 Ca 0.25 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.69 1p6t h LYS 129 Cb 0.24 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1p6t h LYS 129 CO -0.23 0.07 0.10 1.49 -1.08 0.00 0.00 179.45 179.81 1p6t h GLU 130 N 0.11 0.42 0.24 3.15 4.22 -0.13 -0.04 114.58 122.56 1p6t h GLU 130 Ca 0.15 -0.08 -0.00 0.00 0.08 0.00 0.00 59.36 59.51 1p6t h GLU 130 Cb 0.20 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1p6t h GLU 130 CO -0.24 0.46 -0.18 0.00 -2.18 0.00 0.00 179.01 176.86 1p6t h ALA 131 N 0.94 -0.41 -0.15 2.92 0.00 -0.42 -0.99 119.26 121.16 1p6t h ALA 131 Ca 0.09 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1p6t h ALA 131 Cb 0.20 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1p6t h ALA 131 CO -0.01 -0.75 -0.35 0.28 0.00 0.00 0.00 179.25 178.43 1p6t h VAL 132 N -0.43 1.29 -0.06 0.00 2.07 -0.78 0.81 116.25 119.15 1p6t h VAL 132 Ca -0.02 -1.39 0.04 0.00 0.82 0.00 0.00 66.70 66.15 1p6t h VAL 132 Cb 0.37 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 1p6t h VAL 132 CO -0.00 0.42 -0.21 -0.78 0.02 0.00 0.00 177.57 177.02 1p6t h ASP 133 N 0.26 -0.64 -0.74 0.57 1.82 -0.63 0.84 116.42 117.91 1p6t h ASP 133 Ca 0.03 0.10 0.08 0.00 -0.39 0.00 0.00 57.03 56.85 1p6t h ASP 133 Cb 0.74 0.28 -0.06 0.00 0.68 0.00 0.00 39.33 40.96 1p6t h ASP 133 CO 0.06 -0.27 0.41 0.11 -1.61 0.00 0.00 179.24 177.94 1p6t h LYS 134 N -0.30 0.70 0.00 0.28 1.57 -0.50 0.10 116.57 118.41 1p6t h LYS 134 Ca 0.08 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1p6t h LYS 134 Cb 0.41 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1p6t h LYS 134 CO -0.24 0.47 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.02 1p6t h LEU 135 N 0.72 0.00 -0.85 2.94 -0.00 -0.13 -3.47 115.31 114.53 1p6t h LEU 135 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.23 1p6t h LEU 135 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 1p6t h LEU 135 CO -0.22 0.02 0.00 0.61 -0.00 0.00 0.00 178.44 178.85 1p6t n GLY 136 N -0.81 0.77 3.29 0.83 0.00 0.35 -5.07 105.19 104.55 1p6t n GLY 136 Ca -0.02 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 1p6t n GLY 136 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p6t s TYR 137 N -2.45 1.52 -0.16 1.61 2.02 -0.95 -5.02 117.35 113.93 1p6t s TYR 137 Ca 0.00 -1.42 0.02 0.00 -0.37 0.00 0.00 57.07 55.30 1p6t s TYR 137 Cb 0.00 -0.76 0.01 0.00 -0.40 0.00 0.00 41.96 40.82 1p6t s TYR 137 CO 0.00 -0.61 -0.21 -1.59 -1.57 0.00 0.00 175.55 171.57 1p6t s LYS 138 N -3.84 2.97 -0.14 -0.62 -2.85 -1.26 -4.13 119.74 109.86 1p6t s LYS 138 Ca 0.38 -0.83 -0.05 0.00 -1.00 0.00 0.00 55.97 54.47 1p6t s LYS 138 Cb 0.05 -2.46 -0.04 0.00 -2.06 0.00 0.00 37.83 33.32 1p6t s LYS 138 CO 0.18 -0.10 0.04 -1.17 0.10 0.00 0.00 175.35 174.40 1p6t s LEU 139 N 1.02 3.73 0.31 2.77 1.98 -1.26 -1.30 118.68 125.93 1p6t s LEU 139 Ca -0.02 0.12 0.11 0.00 -2.89 0.00 0.00 54.13 51.44 1p6t s LEU 139 Cb -0.14 -1.90 -0.06 0.00 0.66 0.00 0.00 46.19 44.75 1p6t s LEU 139 CO -0.07 0.27 -0.12 -0.54 -1.89 0.00 0.00 176.35 174.00 1p6t s LYS 140 N -0.19 1.83 -0.10 1.98 -0.14 0.76 -4.97 119.74 118.91 1p6t s LYS 140 Ca 0.07 -1.80 -0.06 0.00 -1.36 0.00 0.00 55.97 52.82 1p6t s LYS 140 Cb -0.12 -1.80 -0.04 0.00 -1.68 0.00 0.00 37.83 34.19 1p6t s LYS 140 CO 0.02 0.24 0.13 -0.51 -0.76 0.00 0.00 175.35 174.46 1p6t s LEU 141 N -3.59 4.28 -0.49 3.17 1.02 -1.26 -0.23 118.68 121.58 1p6t s LEU 141 Ca 0.32 0.40 0.00 0.00 0.02 0.00 0.00 54.13 54.87 1p6t s LEU 141 Cb -0.02 -2.12 0.13 0.00 0.02 0.00 0.00 46.19 44.20 1p6t s LEU 141 CO 0.17 0.38 0.26 -0.54 0.02 0.00 0.00 176.35 176.63 1p6t s LYS 142 N -1.16 2.05 0.00 1.70 -0.14 -0.35 -4.57 119.74 117.27 1p6t s LYS 142 Ca 0.17 -2.26 0.00 0.00 -1.36 0.00 0.00 55.97 52.51 1p6t s LYS 142 Cb -0.12 -3.48 0.00 0.00 -1.68 0.00 0.00 37.83 32.55 1p6t s LYS 142 CO 0.06 -1.09 0.00 0.41 -0.76 0.00 0.00 175.35 173.98 1p6t n GLY 143 N 3.79 1.48 3.65 -3.33 0.00 -1.26 -4.13 105.19 105.38 1p6t n GLY 143 Ca 0.04 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1p6t n GLY 143 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1p6t n GLU 144 N 0.00 -4.39 0.00 1.61 2.13 -1.26 -4.39 120.64 114.35 1p6t n GLU 144 Ca 0.00 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.38 1p6t n GLU 144 Cb 0.00 -5.36 0.00 0.00 0.27 0.00 0.00 31.44 26.35 1p6t n GLU 144 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1p6t n GLN 145 N -4.22 0.00 -2.91 5.31 7.27 -1.26 -5.06 117.38 116.51 1p6t n GLN 145 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.07 1p6t n GLN 145 Cb 0.54 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.18 1p6t n GLN 145 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1p6t n ASP 146 N -0.59 -6.54 -2.18 1.69 -0.08 -1.26 -0.78 116.55 106.82 1p6t n ASP 146 Ca 0.00 1.01 -0.20 0.00 -1.51 0.00 0.00 54.79 54.09 1p6t n ASP 146 Cb 0.00 -3.61 -0.02 0.00 2.34 0.00 0.00 41.12 39.83 1p6t n ASP 146 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1p6t n SER 147 N 1.23 -5.70 -3.56 1.67 2.88 -1.26 -2.59 113.62 106.28 1p6t n SER 147 Ca -0.05 0.07 -0.24 0.00 -1.33 0.00 0.00 58.87 57.31 1p6t n SER 147 Cb 0.26 -4.76 0.05 0.00 -0.75 0.00 0.00 64.21 59.01 1p6t n SER 147 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1p6t n ILE 148 N -3.76 -6.46 -1.61 2.46 5.41 -1.22 -4.97 119.36 109.21 1p6t n ILE 148 Ca -0.23 -0.95 -0.33 0.00 1.00 0.00 0.00 62.75 62.23 1p6t n ILE 148 Cb 0.68 -4.83 0.07 0.00 -0.71 0.00 0.00 39.64 34.84 1p6t n ILE 148 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1p6t s GLU 149 N -5.52 2.54 -0.30 0.38 2.12 0.04 -5.03 118.70 112.94 1p6t s GLU 149 Ca 0.34 1.47 -0.08 0.00 0.36 0.00 0.00 54.97 57.06 1p6t s GLU 149 Cb -0.09 -1.91 0.19 0.00 0.26 0.00 0.00 34.13 32.57 1p6t s GLU 149 CO 0.81 -1.46 0.95 0.20 -0.54 0.00 0.00 175.26 175.22 1p6t s GLY 150 N -2.51 -0.84 0.00 -1.50 0.00 -1.26 -4.96 107.32 96.26 1p6t s GLY 150 Ca 0.68 2.10 0.00 0.00 0.00 0.00 0.00 44.72 47.50 1p6t s GLY 150 CO 0.44 3.93 0.00 0.54 0.00 0.00 0.00 173.10 178.01