#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 1.77 -0.03 4.03 2.34 -1.26 -5.18 118.68 120.36 1p6t s LEU 2 Ca 0.00 -1.30 -0.30 0.00 0.06 0.00 0.00 54.13 52.59 1p6t s LEU 2 Cb 0.00 0.03 0.11 0.00 -0.56 0.00 0.00 46.19 45.77 1p6t s LEU 2 CO 0.00 -0.68 1.01 -0.55 -1.06 0.00 0.00 176.35 175.07 1p6t s SER 3 N -3.24 -0.26 -0.39 1.48 0.15 -1.26 -5.09 113.70 105.09 1p6t s SER 3 Ca 0.33 -0.07 0.10 0.00 0.70 0.00 0.00 55.95 57.01 1p6t s SER 3 Cb 0.07 0.32 0.34 0.00 -1.71 0.00 0.00 66.02 65.04 1p6t s SER 3 CO 0.10 -0.54 0.80 1.21 1.20 0.00 0.00 173.24 176.01 1p6t n GLU 4 N -0.26 0.96 -1.58 5.44 2.13 -1.26 -5.13 120.64 120.95 1p6t n GLU 4 Ca -0.06 -3.05 -0.35 0.00 0.66 0.00 0.00 57.16 54.36 1p6t n GLU 4 Cb 0.61 -1.54 0.08 0.00 0.27 0.00 0.00 31.44 30.85 1p6t n GLU 4 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1p6t s GLN 5 N -1.77 2.37 0.39 5.31 -1.52 -1.26 -4.36 119.66 118.82 1p6t s GLN 5 Ca 0.36 1.76 0.08 0.00 -1.95 0.00 0.00 55.36 55.60 1p6t s GLN 5 Cb 0.33 -1.86 -0.02 0.00 -0.22 0.00 0.00 33.01 31.23 1p6t s GLN 5 CO -0.08 -1.66 0.35 -1.59 -0.25 0.00 0.00 175.29 172.06 1p6t s LYS 6 N -3.80 2.59 -0.04 2.91 -2.85 0.16 -4.95 119.74 113.76 1p6t s LYS 6 Ca 0.75 -1.46 0.06 0.00 -1.00 0.00 0.00 55.97 54.31 1p6t s LYS 6 Cb -0.29 -2.41 -0.02 0.00 -2.06 0.00 0.00 37.83 33.05 1p6t s LYS 6 CO 0.42 -0.10 -0.21 -1.21 0.10 0.00 0.00 175.35 174.35 1p6t s GLU 7 N -4.09 2.39 -0.10 1.78 8.01 -1.26 -1.51 118.70 123.93 1p6t s GLU 7 Ca 0.46 -0.83 0.02 0.00 0.01 0.00 0.00 54.97 54.63 1p6t s GLU 7 Cb -0.04 -2.22 0.01 0.00 -4.31 0.00 0.00 34.13 27.58 1p6t s GLU 7 CO 0.27 0.54 -0.16 -1.50 0.01 0.00 0.00 175.26 174.42 1p6t s ILE 8 N -0.54 1.50 -0.27 -1.63 1.10 0.18 -4.85 121.20 116.70 1p6t s ILE 8 Ca 0.07 -0.66 0.02 0.00 -0.51 0.00 0.00 60.65 59.57 1p6t s ILE 8 Cb -0.11 -1.36 0.07 0.00 0.15 0.00 0.00 42.46 41.21 1p6t s ILE 8 CO 0.01 0.44 -0.03 0.00 -2.11 0.00 0.00 174.94 173.24 1p6t s ALA 9 N 0.80 2.23 0.26 1.50 0.00 -1.18 -0.84 121.76 124.54 1p6t s ALA 9 Ca -0.11 -1.70 0.02 0.00 0.00 0.00 0.00 51.96 50.18 1p6t s ALA 9 Cb -0.16 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.33 1p6t s ALA 9 CO 0.01 -1.33 0.05 -1.64 0.00 0.00 0.00 175.76 172.86 1p6t s MET 10 N 1.26 1.43 0.12 0.00 -1.94 -0.05 -4.23 119.30 115.89 1p6t s MET 10 Ca -0.02 -1.76 -0.06 0.00 -1.71 0.00 0.00 55.69 52.14 1p6t s MET 10 Cb -0.19 -0.50 -0.05 0.00 2.01 0.00 0.00 34.83 36.10 1p6t s MET 10 CO -0.08 -0.21 0.37 -0.65 -0.01 0.00 0.00 175.02 174.44 1p6t s GLN 11 N -3.95 3.63 0.24 2.03 -0.21 -1.26 0.13 119.66 120.28 1p6t s GLN 11 Ca 0.34 -0.06 0.06 0.00 0.02 0.00 0.00 55.36 55.72 1p6t s GLN 11 Cb 0.07 -2.90 -0.05 0.00 1.00 0.00 0.00 33.01 31.14 1p6t s GLN 11 CO 0.12 0.50 -0.06 0.54 -2.12 0.00 0.00 175.29 174.27 1p6t s VAL 12 N -1.58 1.44 0.14 1.09 0.11 -0.51 -0.72 120.40 120.37 1p6t s VAL 12 Ca 0.38 -2.11 -0.11 0.00 -2.93 0.00 0.00 61.98 57.22 1p6t s VAL 12 Cb -0.12 -2.28 0.00 0.00 -1.53 0.00 0.00 36.38 32.45 1p6t s VAL 12 CO 0.23 -0.41 0.30 -0.44 -3.33 0.00 0.00 175.10 171.45 1p6t s SER 13 N -3.35 -0.01 0.00 3.54 0.01 0.85 -4.79 113.70 109.94 1p6t s SER 13 Ca 0.26 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1p6t s SER 13 Cb 0.03 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1p6t s SER 13 CO 0.09 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.49 1p6t n GLY 14 N -0.18 0.68 3.64 3.44 0.00 -1.26 -1.42 105.19 110.09 1p6t n GLY 14 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.55 4.04 0.02 1.61 1.00 -1.26 -4.88 119.30 119.28 1p6t s MET 15 Ca 0.00 1.51 0.10 0.00 0.00 0.00 0.00 55.69 57.30 1p6t s MET 15 Cb 0.00 -3.86 -0.22 0.00 0.00 0.00 0.00 34.83 30.75 1p6t s MET 15 CO 0.00 -0.96 0.90 1.15 0.00 0.00 0.00 175.02 176.11 1p6t h THR 16 N 5.77 1.18 -1.74 2.05 2.02 -1.98 -3.50 112.91 116.71 1p6t h THR 16 Ca -0.28 -2.98 0.29 0.00 0.77 0.00 0.00 66.41 64.22 1p6t h THR 16 Cb 1.11 2.59 -0.10 0.00 -1.74 0.00 0.00 68.15 70.00 1p6t h THR 16 CO 1.00 0.68 0.75 0.00 0.37 0.00 0.00 175.52 178.32 1p6t h ALA 18 N 2.00 2.97 -0.60 0.00 0.00 -1.97 0.60 119.26 122.26 1p6t h ALA 18 Ca -0.28 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1p6t h ALA 18 Cb 1.21 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1p6t h ALA 18 CO 0.28 -1.37 0.31 0.00 0.00 0.00 0.00 179.25 178.47 1p6t h ALA 19 N 1.43 0.79 0.33 0.00 0.00 -1.98 0.22 119.26 120.06 1p6t h ALA 19 Ca 0.63 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.55 1p6t h ALA 19 Cb 2.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1p6t h ALA 19 CO -0.10 -0.04 -0.16 0.00 0.00 0.00 0.00 179.25 178.94 1p6t h ALA 21 N 0.03 -0.75 -0.83 0.00 0.00 -1.45 -1.16 119.26 115.10 1p6t h ALA 21 Ca -0.05 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1p6t h ALA 21 Cb 0.43 1.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 1p6t h ALA 21 CO 0.07 -1.02 0.54 0.00 0.00 0.00 0.00 179.25 178.85 1p6t h ALA 22 N -0.06 1.62 -0.19 0.00 0.00 -0.34 0.67 119.26 120.95 1p6t h ALA 22 Ca 0.08 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1p6t h ALA 22 Cb 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1p6t h ALA 22 CO -0.60 0.24 0.08 0.00 0.00 0.00 0.00 179.25 178.98 1p6t h ARG 23 N 0.89 0.18 0.61 0.00 2.47 -0.17 0.15 114.38 118.51 1p6t h ARG 23 Ca 0.37 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 59.05 1p6t h ARG 23 Cb 0.27 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1p6t h ARG 23 CO -0.14 0.12 -0.40 0.82 0.56 0.00 0.00 179.97 180.93 1p6t h ILE 24 N 0.18 0.00 -0.78 2.04 2.04 0.13 -0.02 117.51 121.11 1p6t h ILE 24 Ca 0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.99 1p6t h ILE 24 Cb 0.03 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.07 1p6t h ILE 24 CO -0.07 0.00 0.51 -0.33 0.00 0.00 0.00 178.15 178.26 1p6t h GLU 25 N -0.95 0.87 -0.44 2.37 4.39 -0.80 0.28 114.58 120.30 1p6t h GLU 25 Ca -0.08 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 1p6t h GLU 25 Cb 0.77 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1p6t h GLU 25 CO 0.07 0.57 0.13 -0.22 -1.16 0.00 0.00 179.01 178.40 1p6t h LYS 26 N 0.89 0.68 -0.55 2.33 3.64 -0.67 0.21 116.57 123.11 1p6t h LYS 26 Ca 0.32 -0.15 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1p6t h LYS 26 Cb 0.14 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1p6t h LYS 26 CO -0.10 0.67 0.31 0.78 -2.27 0.00 0.00 179.45 178.84 1p6t h GLY 27 N 0.57 0.78 1.46 5.01 0.00 0.13 -2.97 103.07 108.05 1p6t h GLY 27 Ca 0.14 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 47.08 1p6t h GLY 27 CO -0.00 0.17 -0.54 1.41 0.00 0.00 0.00 176.54 177.57 1p6t h LEU 28 N 0.61 0.63 -1.77 3.11 -0.00 -0.37 -2.68 115.31 114.83 1p6t h LEU 28 Ca 0.23 -0.34 0.17 0.00 -0.00 0.00 0.00 57.88 57.95 1p6t h LEU 28 Cb 0.08 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.54 1p6t h LEU 28 CO -0.13 1.05 0.65 0.50 -0.00 0.00 0.00 178.44 180.51 1p6t h LYS 29 N 0.44 0.00 0.00 1.13 1.63 -0.42 0.17 116.57 119.52 1p6t h LYS 29 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1p6t h LYS 29 Cb 1.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1p6t h LYS 29 CO 0.10 0.00 0.00 -0.09 -3.45 0.00 0.00 179.45 176.01 1p6t h ARG 30 N 0.00 0.00 -6.80 1.90 2.43 -1.47 -3.44 114.38 107.00 1p6t h ARG 30 Ca 0.28 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.97 1p6t h ARG 30 Cb 1.57 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.10 1p6t h ARG 30 CO -0.00 0.00 0.31 -1.64 -1.51 0.00 0.00 179.97 177.13 1p6t s MET 31 N -3.68 4.60 0.08 0.20 -1.94 0.05 -5.00 119.30 113.61 1p6t s MET 31 Ca 0.00 1.30 -0.16 0.00 -1.71 0.00 0.00 55.69 55.12 1p6t s MET 31 Cb 0.10 -2.93 -0.11 0.00 2.01 0.00 0.00 34.83 33.89 1p6t s MET 31 CO 0.45 0.36 1.37 -1.00 -0.01 0.00 0.00 175.02 176.18 1p6t h PRO 32 N 3.47 0.64 0.00 2.03 0.13 -1.88 -2.98 132.00 133.40 1p6t h PRO 32 Ca -0.47 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 1p6t h PRO 32 Cb 1.19 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1p6t h PRO 32 CO 0.66 0.99 0.00 0.78 -0.23 0.00 0.00 178.00 180.20 1p6t h GLY 33 N 0.34 0.00 -6.92 1.56 0.00 -1.89 -3.42 103.07 92.74 1p6t h GLY 33 Ca 0.02 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.78 1p6t h GLY 33 CO 0.08 0.00 1.32 0.14 0.00 0.00 0.00 176.54 178.08 1p6t s VAL 34 N -3.42 3.38 -0.19 4.60 1.01 -1.13 -0.40 120.40 124.25 1p6t s VAL 34 Ca 0.04 0.38 -0.21 0.00 0.00 0.00 0.00 61.98 62.18 1p6t s VAL 34 Cb 0.09 -3.52 -0.19 0.00 0.00 0.00 0.00 36.38 32.77 1p6t s VAL 34 CO 0.46 -0.34 0.26 0.74 0.00 0.00 0.00 175.10 176.22 1p6t h THR 35 N 6.89 0.96 -2.03 3.92 2.02 -1.09 -3.47 112.91 120.11 1p6t h THR 35 Ca -0.35 -2.10 -0.29 0.00 0.77 0.00 0.00 66.41 64.44 1p6t h THR 35 Cb 1.18 2.19 -0.32 0.00 -1.74 0.00 0.00 68.15 69.46 1p6t h THR 35 CO 1.02 0.32 -0.61 -0.62 0.37 0.00 0.00 175.52 176.01 1p6t s ASP 36 N -6.66 1.33 -0.31 4.18 -1.08 0.04 -5.01 116.67 109.16 1p6t s ASP 36 Ca -0.26 -0.67 -0.15 0.00 -0.52 0.00 0.00 52.55 50.95 1p6t s ASP 36 Cb 0.04 0.67 -0.02 0.00 -1.46 0.00 0.00 42.92 42.15 1p6t s ASP 36 CO 0.57 -0.38 0.36 0.00 0.52 0.00 0.00 175.17 176.24 1p6t s ALA 37 N 2.40 3.52 0.15 3.66 0.00 -1.26 -0.39 121.76 129.83 1p6t s ALA 37 Ca 0.10 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 1p6t s ALA 37 Cb -0.13 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1p6t s ALA 37 CO -0.32 -0.90 0.06 -0.80 0.00 0.00 0.00 175.76 173.80 1p6t s ASN 38 N 1.71 0.46 -0.23 0.00 0.01 -0.50 -4.88 114.94 111.51 1p6t s ASN 38 Ca 0.13 -1.23 -0.11 0.00 -0.71 0.00 0.00 52.86 50.94 1p6t s ASN 38 Cb -0.16 0.27 0.08 0.00 0.41 0.00 0.00 41.25 41.85 1p6t s ASN 38 CO 0.11 -0.72 0.53 0.54 -1.51 0.00 0.00 177.10 176.06 1p6t s VAL 39 N -3.99 -0.31 -1.09 1.60 0.11 -1.26 -0.49 120.40 114.97 1p6t s VAL 39 Ca 0.26 0.07 -0.18 0.00 -2.93 0.00 0.00 61.98 59.19 1p6t s VAL 39 Cb 0.07 -0.80 0.11 0.00 -1.53 0.00 0.00 36.38 34.23 1p6t s VAL 39 CO 0.04 0.03 1.39 0.20 -3.33 0.00 0.00 175.10 173.42 1p6t s ASN 40 N 1.97 6.75 0.55 3.54 -0.87 0.41 -4.82 114.94 122.47 1p6t s ASN 40 Ca -0.07 -2.23 0.27 0.00 -1.57 0.00 0.00 52.86 49.25 1p6t s ASN 40 Cb -0.09 -2.47 1.44 0.00 -0.02 0.00 0.00 41.25 40.11 1p6t s ASN 40 CO -0.16 -1.10 1.99 0.17 -2.57 0.00 0.00 177.10 175.43 1p6t h LEU 41 N 11.16 0.00 -2.01 0.60 -0.00 -1.92 0.12 115.31 123.26 1p6t h LEU 41 Ca 0.26 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 58.26 1p6t h LEU 41 Cb 0.95 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.60 1p6t h LEU 41 CO 1.28 0.00 0.29 0.00 -0.00 0.00 0.00 178.44 180.01 1p6t h ALA 42 N 1.69 2.36 0.00 0.17 0.00 -1.96 -0.28 119.26 121.24 1p6t h ALA 42 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1p6t h ALA 42 Cb 1.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1p6t h ALA 42 CO -0.00 -0.50 -0.03 0.25 0.00 0.00 0.00 179.25 178.97 1p6t n THR 43 N -4.39 1.15 -4.20 0.00 -2.24 -0.20 -5.00 114.28 99.40 1p6t n THR 43 Ca 0.07 -1.28 -0.36 0.00 -2.27 0.00 0.00 64.05 60.21 1p6t n THR 43 Cb 0.48 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.74 -2.99 -3.59 -0.78 1.02 0.22 -4.94 120.64 108.84 1p6t n GLU 44 Ca 0.05 0.36 -0.40 0.00 -0.02 0.00 0.00 57.16 57.15 1p6t n GLU 44 Cb 0.43 -5.08 -0.10 0.00 -0.02 0.00 0.00 31.44 26.67 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 -3.24 4.24 -0.25 2.62 2.01 -0.17 -1.42 115.64 119.43 1p6t s THR 45 Ca 0.74 -1.45 -0.26 0.00 0.31 0.00 0.00 61.69 61.03 1p6t s THR 45 Cb -0.40 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1p6t s THR 45 CO 0.91 -0.55 0.89 0.54 -0.69 0.00 0.00 174.62 175.72 1p6t s VAL 46 N 1.42 4.77 -0.32 3.82 0.11 0.12 -0.44 120.40 129.88 1p6t s VAL 46 Ca 0.03 1.63 0.02 0.00 -2.93 0.00 0.00 61.98 60.74 1p6t s VAL 46 Cb -0.23 -4.18 0.10 0.00 -1.53 0.00 0.00 36.38 30.53 1p6t s VAL 46 CO 0.02 -0.15 0.05 0.54 -3.33 0.00 0.00 175.10 172.23 1p6t s ASN 47 N 1.36 4.48 -0.10 3.54 2.20 0.36 -0.87 114.94 125.92 1p6t s ASN 47 Ca 0.37 -1.91 0.02 0.00 -0.94 0.00 0.00 52.86 50.41 1p6t s ASN 47 Cb -0.15 -1.38 -0.01 0.00 -2.00 0.00 0.00 41.25 37.71 1p6t s ASN 47 CO 0.08 -0.37 -0.17 -0.69 -2.94 0.00 0.00 177.10 173.01 1p6t s VAL 48 N 1.15 2.72 -0.18 3.54 1.01 -0.02 -1.41 120.40 127.20 1p6t s VAL 48 Ca 0.09 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1p6t s VAL 48 Cb -0.19 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 1p6t s VAL 48 CO -0.13 0.55 -0.11 -0.63 0.00 0.00 0.00 175.10 174.78 1p6t s ILE 49 N 0.07 2.90 0.27 2.22 1.01 0.47 -0.64 121.20 127.50 1p6t s ILE 49 Ca -0.07 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 59.71 1p6t s ILE 49 Cb -0.15 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.07 1p6t s ILE 49 CO 0.05 0.48 0.67 -0.72 0.00 0.00 0.00 174.94 175.42 1p6t s TYR 50 N 1.13 -0.13 -0.18 3.97 1.13 -0.57 -0.57 117.35 122.14 1p6t s TYR 50 Ca 0.01 -0.30 -0.23 0.00 -1.41 0.00 0.00 57.07 55.15 1p6t s TYR 50 Cb -0.14 0.62 -0.02 0.00 -1.10 0.00 0.00 41.96 41.31 1p6t s TYR 50 CO -0.03 -1.17 0.71 0.34 -2.51 0.00 0.00 175.55 172.88 1p6t s ASP 51 N -2.92 6.81 0.00 -0.18 -1.08 0.47 -0.66 116.67 119.10 1p6t s ASP 51 Ca 0.12 0.99 0.00 0.00 -0.52 0.00 0.00 52.55 53.14 1p6t s ASP 51 Cb -0.05 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1p6t s ASP 51 CO 0.06 -0.31 1.67 -0.81 0.52 0.00 0.00 175.17 176.30 1p6t n PRO 52 N 5.01 0.89 -0.78 4.34 -0.04 -1.26 -3.32 135.00 139.84 1p6t n PRO 52 Ca 0.01 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.43 1p6t n PRO 52 Cb 0.49 -1.06 -0.04 0.00 -0.04 0.00 0.00 33.50 32.86 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 1.43 2.45 0.00 0.55 0.00 -1.26 -4.90 120.51 118.78 1p6t n ALA 53 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1p6t n ALA 53 Cb 0.44 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.21 -5.06 120.64 115.39 1p6t n GLU 54 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 1p6t n GLU 54 Cb 0.56 -0.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 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 -2.29 0.00 0.00 2.62 -1.04 -1.23 -4.83 114.28 107.51 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 0.00 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 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 3.04 2.68 0.33 3.41 0.00 -1.26 -4.70 105.19 108.70 1p6t n GLY 56 Ca 0.00 -1.15 0.21 0.00 0.00 0.00 0.00 46.02 45.09 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 0.06 -0.75 2.61 1.03 -1.92 0.39 112.91 114.34 1p6t h THR 57 Ca 0.00 -0.02 0.09 0.00 -0.01 0.00 0.00 66.41 66.48 1p6t h THR 57 Cb 0.00 0.01 -0.07 0.00 -1.07 0.00 0.00 68.15 67.02 1p6t h THR 57 CO 0.00 0.01 0.40 0.00 -0.01 0.00 0.00 175.52 175.92 1p6t h ALA 58 N 1.96 1.06 -0.04 0.00 0.00 -1.92 0.14 119.26 120.46 1p6t h ALA 58 Ca 0.70 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.57 1p6t h ALA 58 Cb 1.63 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1p6t h ALA 58 CO -0.82 0.01 -0.35 0.00 0.00 0.00 0.00 179.25 178.09 1p6t h ALA 59 N 1.44 1.35 0.41 0.00 0.00 -0.50 0.13 119.26 122.10 1p6t h ALA 59 Ca 0.37 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1p6t h ALA 59 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1p6t h ALA 59 CO -0.26 0.47 -0.20 0.82 0.00 0.00 0.00 179.25 180.09 1p6t h ILE 60 N 0.06 0.60 -0.63 0.00 1.08 -0.67 -0.39 117.51 117.57 1p6t h ILE 60 Ca 0.01 -0.10 -0.04 0.00 -0.39 0.00 0.00 64.86 64.33 1p6t h ILE 60 Cb 0.65 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 1p6t h ILE 60 CO 0.05 0.02 0.22 0.06 -0.69 0.00 0.00 178.15 177.81 1p6t h GLN 61 N -0.61 0.93 -0.98 2.37 3.07 -1.00 -0.57 115.11 118.32 1p6t h GLN 61 Ca -0.06 -0.16 0.10 0.00 0.09 0.00 0.00 58.65 58.62 1p6t h GLN 61 Cb 0.46 -0.15 -0.08 0.00 0.08 0.00 0.00 27.48 27.79 1p6t h GLN 61 CO 0.09 0.78 0.62 1.49 0.09 0.00 0.00 178.83 181.90 1p6t h GLU 62 N 0.91 1.00 -0.24 0.06 4.57 -0.56 -0.19 114.58 120.14 1p6t h GLU 62 Ca 0.21 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.24 1p6t h GLU 62 Cb 0.22 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1p6t h GLU 62 CO -0.01 0.66 -0.19 -0.22 -1.18 0.00 0.00 179.01 178.07 1p6t h LYS 63 N 1.03 0.55 -0.41 1.92 1.63 0.47 0.01 116.57 121.76 1p6t h LYS 63 Ca 0.46 -0.27 0.08 0.00 -0.85 0.00 0.00 60.65 60.08 1p6t h LYS 63 Cb 0.36 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 31.92 1p6t h LYS 63 CO -0.23 0.85 -0.10 0.82 -3.45 0.00 0.00 179.45 177.33 1p6t h ILE 64 N 0.25 0.59 -0.03 2.00 1.08 -0.54 0.22 117.51 121.08 1p6t h ILE 64 Ca 0.04 -0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1p6t h ILE 64 Cb 0.73 0.59 -0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1p6t h ILE 64 CO 0.05 0.00 0.01 -0.33 -0.69 0.00 0.00 178.15 177.19 1p6t h GLU 65 N 0.00 0.05 -0.85 2.37 5.08 -0.89 -2.35 114.58 117.99 1p6t h GLU 65 Ca 0.20 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.68 1p6t h GLU 65 Cb 0.30 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 1p6t h GLU 65 CO -0.43 0.16 0.55 0.87 -1.00 0.00 0.00 179.01 179.16 1p6t h LYS 66 N -0.08 0.66 0.00 2.33 1.57 -0.56 0.16 116.57 120.66 1p6t h LYS 66 Ca 0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1p6t h LYS 66 Cb 0.13 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1p6t h LYS 66 CO -0.00 0.43 0.00 1.28 -0.57 0.00 0.00 179.45 180.59 1p6t n LEU 67 N -4.53 0.53 -0.26 2.94 4.77 0.75 -4.88 117.00 116.31 1p6t n LEU 67 Ca 0.16 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.80 1p6t n LEU 67 Cb 0.43 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1p6t n LEU 67 CO 0.31 -0.61 0.00 0.61 -1.33 0.00 0.00 177.39 176.37 1p6t n GLY 68 N -0.36 0.91 3.56 -0.72 0.00 0.58 -5.08 105.19 104.08 1p6t n GLY 68 Ca 0.01 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.39 1.91 0.04 1.61 1.51 -0.93 -4.94 117.35 114.16 1p6t s TYR 69 Ca 0.00 -1.08 0.05 0.00 -1.01 0.00 0.00 57.07 55.03 1p6t s TYR 69 Cb 0.00 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 1p6t s TYR 69 CO 0.00 -0.04 -0.14 -1.58 -1.11 0.00 0.00 175.55 172.68 1p6t s HIS 70 N -3.12 1.27 -0.01 2.71 2.46 -0.51 -4.13 115.29 113.96 1p6t s HIS 70 Ca 0.24 -0.35 -0.12 0.00 0.47 0.00 0.00 55.06 55.30 1p6t s HIS 70 Cb 0.05 -0.76 -0.05 0.00 -0.13 0.00 0.00 32.58 31.69 1p6t s HIS 70 CO 0.12 0.03 0.35 0.14 -2.47 0.00 0.00 174.74 172.92 1p6t s VAL 71 N -0.81 5.14 -0.98 0.89 -7.23 -1.26 -0.10 120.40 116.05 1p6t s VAL 71 Ca 0.02 0.64 -0.20 0.00 -1.81 0.00 0.00 61.98 60.63 1p6t s VAL 71 Cb -0.08 -3.64 0.10 0.00 0.56 0.00 0.00 36.38 33.33 1p6t s VAL 71 CO 0.01 0.55 1.28 -0.69 -0.31 0.00 0.00 175.10 175.93 1p6t s VAL 72 N -1.12 4.39 -0.24 1.32 1.01 0.10 -4.92 120.40 120.95 1p6t s VAL 72 Ca 0.23 -1.27 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 1p6t s VAL 72 Cb -0.15 -4.90 0.07 0.00 0.00 0.00 0.00 36.38 31.39 1p6t s VAL 72 CO 0.12 -1.70 0.59 -0.89 0.00 0.00 0.00 175.10 173.22 1p6t s THR 73 N 3.63 -0.01 -0.04 3.92 2.01 -1.26 -4.30 115.64 119.58 1p6t s THR 73 Ca 0.39 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.47 1p6t s THR 73 Cb -0.03 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 1p6t s THR 73 CO -0.09 0.01 -0.21 -1.61 -0.69 0.00 0.00 174.62 172.03 1p6t s GLU 74 N 1.46 2.06 -0.82 4.92 2.02 0.22 -4.83 118.70 123.72 1p6t s GLU 74 Ca -0.09 -0.75 -0.21 0.00 0.02 0.00 0.00 54.97 53.95 1p6t s GLU 74 Cb -0.06 -1.80 0.10 0.00 0.10 0.00 0.00 34.13 32.47 1p6t s GLU 74 CO -0.16 0.33 1.08 -1.59 0.02 0.00 0.00 175.26 174.95 1p6t s LYS 75 N -0.13 3.39 0.29 1.61 -2.85 -1.26 -1.75 119.74 119.04 1p6t s LYS 75 Ca -0.02 -1.31 0.01 0.00 -1.00 0.00 0.00 55.97 53.66 1p6t s LYS 75 Cb -0.12 -4.66 -0.03 0.00 -2.06 0.00 0.00 37.83 30.96 1p6t s LYS 75 CO 0.02 -1.83 0.48 0.00 0.10 0.00 0.00 175.35 174.12 1p6t s ALA 76 N 3.48 3.77 -0.12 0.59 0.00 0.65 -4.94 121.76 125.18 1p6t s ALA 76 Ca 0.29 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1p6t s ALA 76 Cb -0.10 -2.01 -0.00 0.00 0.00 0.00 0.00 23.12 21.01 1p6t s ALA 76 CO -0.01 0.13 -0.19 -1.21 0.00 0.00 0.00 175.76 174.48 1p6t s GLU 77 N -4.03 3.16 0.09 0.00 2.02 -1.26 -0.35 118.70 118.33 1p6t s GLU 77 Ca 0.38 -0.80 0.09 0.00 0.02 0.00 0.00 54.97 54.66 1p6t s GLU 77 Cb -0.10 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.63 1p6t s GLU 77 CO 0.33 0.13 -0.23 -0.06 0.02 0.00 0.00 175.26 175.44 1p6t s PHE 78 N 0.51 2.02 -0.11 1.61 0.08 -0.01 -3.22 117.98 118.86 1p6t s PHE 78 Ca -0.13 -0.40 -0.05 0.00 0.12 0.00 0.00 56.93 56.48 1p6t s PHE 78 Cb -0.17 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 1p6t s PHE 78 CO 0.05 0.21 0.08 0.34 -0.10 0.00 0.00 175.22 175.79 1p6t s ASP 79 N -1.70 5.87 -0.15 1.36 2.15 0.73 -0.18 116.67 124.75 1p6t s ASP 79 Ca 0.10 0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.40 1p6t s ASP 79 Cb -0.10 -1.81 -0.00 0.00 -0.30 0.00 0.00 42.92 40.71 1p6t s ASP 79 CO 0.04 0.39 -0.15 -0.63 -0.17 0.00 0.00 175.17 174.64 1p6t s ILE 80 N -0.92 2.67 -0.35 4.11 1.01 0.17 0.35 121.20 128.24 1p6t s ILE 80 Ca 0.14 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1p6t s ILE 80 Cb -0.12 -2.12 0.10 0.00 0.01 0.00 0.00 42.46 40.33 1p6t s ILE 80 CO 0.03 0.52 0.08 -1.61 0.00 0.00 0.00 174.94 173.96 1p6t s GLU 81 N 0.76 1.71 0.00 2.79 2.02 -0.93 -4.73 118.70 120.32 1p6t s GLU 81 Ca -0.06 -1.81 0.00 0.00 0.02 0.00 0.00 54.97 53.12 1p6t s GLU 81 Cb -0.15 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.78 1p6t s GLU 81 CO 0.01 -0.94 0.00 0.41 0.02 0.00 0.00 175.26 174.76 1p6t n GLY 82 N 4.37 0.04 3.68 -1.39 0.00 -1.26 -2.86 105.19 107.77 1p6t n GLY 82 Ca 0.00 0.19 -0.46 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 2.29 0.00 1.61 0.00 -1.26 -4.84 117.12 114.92 1p6t n MET 83 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 57.70 58.53 1p6t n MET 83 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 33.22 30.57 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 4.33 0.00 -3.74 3.17 5.66 -1.26 -5.00 114.28 117.43 1p6t n THR 84 Ca 0.19 -0.38 -0.10 0.00 -3.05 0.00 0.00 64.05 60.71 1p6t n THR 84 Cb 0.31 1.12 -0.05 0.00 -1.55 0.00 0.00 70.33 70.15 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 -0.21 3.72 0.14 0.00 0.00 -1.26 -3.47 120.51 119.43 1p6t n ALA 86 Ca -0.14 -3.37 0.00 0.00 0.00 0.00 0.00 53.44 49.93 1p6t n ALA 86 Cb 0.63 -3.61 0.00 0.00 0.00 0.00 0.00 19.45 16.47 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 7.16 1.39 -0.16 0.00 0.00 -1.26 -4.80 120.51 122.84 1p6t n ALA 87 Ca 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.85 1p6t n ALA 87 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 1.03 0.50 -0.37 0.00 0.00 -1.92 0.12 119.26 118.63 1p6t h ALA 89 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1p6t h ALA 89 Cb 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1p6t h ALA 89 CO -0.01 -0.20 0.23 -0.91 0.00 0.00 0.00 179.25 178.36 1p6t h ASN 90 N 0.37 0.43 -0.17 0.00 2.35 -1.71 0.18 115.58 117.03 1p6t h ASN 90 Ca 0.18 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1p6t h ASN 90 Cb 0.13 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1p6t h ASN 90 CO -0.15 0.34 0.09 -0.09 -1.65 0.00 0.00 177.43 175.96 1p6t h ARG 91 N 0.49 0.18 -0.70 0.81 2.43 -0.62 -0.55 114.38 116.42 1p6t h ARG 91 Ca 0.13 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1p6t h ARG 91 Cb -0.02 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 1p6t h ARG 91 CO -0.03 0.12 0.39 0.97 -1.51 0.00 0.00 179.97 179.91 1p6t h ILE 92 N 0.19 0.96 0.72 1.20 2.10 -0.30 -0.92 117.51 121.46 1p6t h ILE 92 Ca 0.07 -0.24 -0.03 0.00 1.08 0.00 0.00 64.86 65.73 1p6t h ILE 92 Cb 0.01 0.19 -0.00 0.00 -1.09 0.00 0.00 36.82 35.92 1p6t h ILE 92 CO -0.04 0.13 -0.44 -0.08 -1.08 0.00 0.00 178.15 176.64 1p6t h GLU 93 N 0.71 -1.05 -0.43 2.19 4.81 -0.19 0.12 114.58 120.73 1p6t h GLU 93 Ca 0.32 0.07 0.12 0.00 -0.13 0.00 0.00 59.36 59.74 1p6t h GLU 93 Cb 0.21 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1p6t h GLU 93 CO -0.19 -0.70 0.36 0.87 -0.73 0.00 0.00 179.01 178.61 1p6t h LYS 94 N -1.09 0.00 0.00 1.92 1.79 -0.71 0.19 116.57 118.66 1p6t h LYS 94 Ca -0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1p6t h LYS 94 Cb 0.88 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1p6t h LYS 94 CO 0.10 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 179.01 1p6t n ARG 95 N -4.10 0.00 -0.33 3.15 5.12 -0.39 -4.32 116.66 115.80 1p6t n ARG 95 Ca 0.07 0.44 0.20 0.00 -1.93 0.00 0.00 57.85 56.63 1p6t n ARG 95 Cb 0.55 -1.12 0.42 0.00 -1.16 0.00 0.00 32.46 31.14 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 0.49 -0.48 0.55 3.38 0.02 -0.95 115.31 118.32 1p6t h LEU 96 Ca 0.00 0.17 0.19 0.00 0.09 0.00 0.00 57.88 58.33 1p6t h LEU 96 Cb 0.00 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.78 1p6t h LEU 96 CO 0.00 -0.06 0.21 -3.20 0.09 0.00 0.00 178.44 175.48 1p6t n ASN 97 N -5.02 0.13 -2.94 -0.43 2.85 0.58 -1.66 115.26 108.76 1p6t n ASN 97 Ca 0.29 0.80 -0.13 0.00 -0.11 0.00 0.00 54.58 55.43 1p6t n ASN 97 Cb 0.86 -0.37 0.03 0.00 1.24 0.00 0.00 39.78 41.54 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 -4.17 0.98 -2.26 1.20 2.85 -0.37 -4.52 118.16 111.87 1p6t n LYS 98 Ca 0.17 -2.58 -0.36 0.00 -1.05 0.00 0.00 58.31 54.49 1p6t n LYS 98 Cb 0.57 -1.34 -0.04 0.00 -0.65 0.00 0.00 35.03 33.57 1p6t n LYS 98 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1p6t s ILE 99 N -0.92 3.59 0.00 0.58 1.01 -0.66 -4.81 121.20 119.99 1p6t s ILE 99 Ca 0.30 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1p6t s ILE 99 Cb 0.31 -4.41 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1p6t s ILE 99 CO -0.07 -1.35 0.00 -0.62 0.00 0.00 0.00 174.94 172.90 1p6t n GLU 100 N 9.03 0.00 -2.47 2.79 1.02 -1.26 -2.91 120.64 126.85 1p6t n GLU 100 Ca 0.27 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.28 1p6t n GLU 100 Cb 0.50 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.95 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 0.00 3.93 3.72 0.62 0.00 -1.26 -3.08 105.19 109.12 1p6t n GLY 101 Ca 0.00 -1.86 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 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 -4.21 5.32 -0.14 1.61 1.01 -1.14 -0.77 120.40 122.09 1p6t s VAL 102 Ca 0.38 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.54 1p6t s VAL 102 Cb 0.38 -3.60 -0.26 0.00 0.00 0.00 0.00 36.38 32.90 1p6t s VAL 102 CO -0.02 0.39 0.77 0.00 0.00 0.00 0.00 175.10 176.24 1p6t h ALA 103 N 6.78 0.00 -2.52 5.51 0.00 -0.84 -3.43 119.26 124.76 1p6t h ALA 103 Ca -0.40 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 53.88 1p6t h ALA 103 Cb 1.16 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 1p6t h ALA 103 CO 0.75 0.02 -0.41 -0.80 0.00 0.00 0.00 179.25 178.80 1p6t s ASN 104 N -6.25 0.15 -0.47 0.00 0.01 -0.55 -4.40 114.94 103.44 1p6t s ASN 104 Ca -0.19 -0.84 0.06 0.00 -0.71 0.00 0.00 52.86 51.18 1p6t s ASN 104 Cb -0.03 0.36 0.29 0.00 0.41 0.00 0.00 41.25 42.28 1p6t s ASN 104 CO 0.69 -0.78 1.03 0.00 -1.51 0.00 0.00 177.10 176.53 1p6t n ALA 105 N -0.11 -1.08 -2.05 0.60 0.00 -1.26 -0.18 120.51 116.43 1p6t n ALA 105 Ca -0.11 -1.42 -0.41 0.00 0.00 0.00 0.00 53.44 51.50 1p6t n ALA 105 Cb 0.63 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 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 0.44 4.43 0.21 0.00 0.04 -1.16 -4.63 135.00 134.33 1p6t s PRO 106 Ca 0.26 1.96 -0.07 0.00 0.04 0.00 0.00 61.00 63.19 1p6t s PRO 106 Cb 0.27 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.52 1p6t s PRO 106 CO -0.13 -0.18 0.48 0.14 0.04 0.00 0.00 177.00 177.34 1p6t s VAL 107 N 0.11 5.05 0.18 -0.36 -7.23 -1.26 -1.00 120.40 115.88 1p6t s VAL 107 Ca 0.55 0.20 0.10 0.00 -1.81 0.00 0.00 61.98 61.02 1p6t s VAL 107 Cb -0.34 -3.64 -0.04 0.00 0.56 0.00 0.00 36.38 32.91 1p6t s VAL 107 CO 0.37 -0.08 -0.18 0.20 -0.31 0.00 0.00 175.10 175.10 1p6t s ASN 108 N -2.56 3.81 -0.12 4.85 -0.87 0.58 -4.97 114.94 115.66 1p6t s ASN 108 Ca 0.44 -0.71 0.14 0.00 -1.57 0.00 0.00 52.86 51.16 1p6t s ASN 108 Cb -0.11 -0.47 0.30 0.00 -0.02 0.00 0.00 41.25 40.94 1p6t s ASN 108 CO 0.24 0.12 1.15 0.33 -2.57 0.00 0.00 177.10 176.37 1p6t n PHE 109 N 0.26 0.00 0.00 2.20 -0.00 -1.26 -3.80 117.46 114.86 1p6t n PHE 109 Ca -0.12 -0.92 0.00 0.00 -0.00 0.00 0.00 57.45 56.40 1p6t n PHE 109 Cb 0.55 -0.16 0.00 0.00 -0.00 0.00 0.00 39.48 39.87 1p6t n PHE 109 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1p6t n ALA 110 N -0.86 1.88 0.81 3.13 0.00 -1.26 -4.73 120.51 119.47 1p6t n ALA 110 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.66 1p6t n ALA 110 Cb 0.73 0.22 -0.04 0.00 0.00 0.00 0.00 19.45 20.36 1p6t n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1p6t n LEU 111 N -1.82 1.36 -3.39 0.00 4.77 -1.26 -5.00 117.00 111.65 1p6t n LEU 111 Ca 0.00 -0.65 -0.25 0.00 -0.03 0.00 0.00 56.01 55.08 1p6t n LEU 111 Cb 0.26 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1p6t n LEU 111 CO 0.00 0.28 0.06 -0.62 -1.33 0.00 0.00 177.39 175.78 1p6t n GLU 112 N -0.65 -5.29 -4.26 3.23 4.71 -1.26 -4.88 120.64 112.25 1p6t n GLU 112 Ca 0.06 0.74 -0.24 0.00 -0.01 0.00 0.00 57.16 57.70 1p6t n GLU 112 Cb 0.33 -5.61 -0.08 0.00 -1.01 0.00 0.00 31.44 25.08 1p6t n GLU 112 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1p6t s THR 113 N -3.18 2.79 -0.06 2.62 -4.23 -1.25 -0.65 115.64 111.68 1p6t s THR 113 Ca 0.46 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 1p6t s THR 113 Cb -0.22 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1p6t s THR 113 CO 0.56 -0.20 -0.17 0.54 -0.54 0.00 0.00 174.62 174.81 1p6t s VAL 114 N -2.48 1.47 0.04 2.29 0.11 0.74 -0.31 120.40 122.26 1p6t s VAL 114 Ca 0.36 -0.71 -0.27 0.00 -2.93 0.00 0.00 61.98 58.43 1p6t s VAL 114 Cb -0.01 -1.29 -0.05 0.00 -1.53 0.00 0.00 36.38 33.50 1p6t s VAL 114 CO 0.20 0.43 0.86 -0.89 -3.33 0.00 0.00 175.10 172.37 1p6t s THR 115 N 0.29 4.74 -0.14 5.04 2.01 -0.17 -0.83 115.64 126.58 1p6t s THR 115 Ca -0.10 1.83 -0.03 0.00 0.31 0.00 0.00 61.69 63.70 1p6t s THR 115 Cb -0.14 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 1p6t s THR 115 CO 0.04 0.29 -0.05 0.54 -0.69 0.00 0.00 174.62 174.75 1p6t s VAL 116 N 0.32 3.81 -0.47 3.82 0.11 0.52 -3.00 120.40 125.51 1p6t s VAL 116 Ca 0.44 -0.40 0.03 0.00 -2.93 0.00 0.00 61.98 59.12 1p6t s VAL 116 Cb -0.21 -2.65 0.13 0.00 -1.53 0.00 0.00 36.38 32.12 1p6t s VAL 116 CO 0.25 0.52 0.24 -0.70 -3.33 0.00 0.00 175.10 172.07 1p6t s GLU 117 N 0.14 1.57 0.19 1.54 -6.30 0.74 -0.25 118.70 116.33 1p6t s GLU 117 Ca -0.02 -2.23 -0.07 0.00 -2.50 0.00 0.00 54.97 50.15 1p6t s GLU 117 Cb -0.14 -2.78 -0.02 0.00 0.00 0.00 0.00 34.13 31.19 1p6t s GLU 117 CO 0.03 -1.12 0.26 1.52 0.02 0.00 0.00 175.26 175.97 1p6t s TYR 118 N 0.14 0.64 -0.53 5.30 1.13 -0.72 -0.19 117.35 123.12 1p6t s TYR 118 Ca 0.17 -0.97 -0.27 0.00 -1.41 0.00 0.00 57.07 54.59 1p6t s TYR 118 Cb -0.25 -0.18 0.03 0.00 -1.10 0.00 0.00 41.96 40.47 1p6t s TYR 118 CO -0.01 -0.74 1.07 1.21 -2.51 0.00 0.00 175.55 174.57 1p6t s ASN 119 N -3.04 6.48 0.00 -0.18 3.84 0.05 -0.61 114.94 121.48 1p6t s ASN 119 Ca 0.25 0.09 0.16 0.00 0.21 0.00 0.00 52.86 53.57 1p6t s ASN 119 Cb 0.04 -2.51 0.97 0.00 -0.55 0.00 0.00 41.25 39.21 1p6t s ASN 119 CO 0.05 -1.28 1.49 -0.81 -2.79 0.00 0.00 177.10 173.76 1p6t n PRO 120 N 7.83 0.80 -0.08 0.43 -0.04 -1.26 -2.26 135.00 140.41 1p6t n PRO 120 Ca 0.07 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.32 1p6t n PRO 120 Cb 0.49 -1.32 -0.12 0.00 -0.04 0.00 0.00 33.50 32.50 1p6t n PRO 120 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1p6t n LYS 121 N -0.82 0.67 0.08 0.54 -0.00 -1.26 -4.52 118.16 112.86 1p6t n LYS 121 Ca 0.12 0.26 -0.13 0.00 -0.00 0.00 0.00 58.31 58.56 1p6t n LYS 121 Cb 0.06 -1.61 -0.08 0.00 -0.00 0.00 0.00 35.03 33.39 1p6t n LYS 121 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1p6t h GLU 122 N -0.25 -0.20 -5.12 -1.58 4.22 -1.86 -3.46 114.58 106.33 1p6t h GLU 122 Ca -0.52 0.01 -0.62 0.00 0.08 0.00 0.00 59.36 58.32 1p6t h GLU 122 Cb 1.83 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.99 1p6t h GLU 122 CO -0.09 0.09 -0.51 0.00 -2.18 0.00 0.00 179.01 176.32 1p6t s ALA 123 N -5.06 3.54 0.22 2.92 0.00 -0.96 -5.04 121.76 117.38 1p6t s ALA 123 Ca -0.15 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 1p6t s ALA 123 Cb 0.03 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.55 1p6t s ALA 123 CO 0.62 -0.18 0.49 -1.54 0.00 0.00 0.00 175.76 175.15 1p6t s SER 124 N -3.75 -0.14 0.34 0.00 1.04 -1.26 -4.29 113.70 105.64 1p6t s SER 124 Ca 0.14 -0.74 0.10 0.00 0.48 0.00 0.00 55.95 55.93 1p6t s SER 124 Cb 0.02 0.58 0.86 0.00 0.10 0.00 0.00 66.02 67.58 1p6t s SER 124 CO 0.09 -1.10 1.79 -0.37 0.98 0.00 0.00 173.24 174.63 1p6t h VAL 125 N 2.25 0.67 -0.89 5.02 -1.51 -1.99 0.71 116.25 120.52 1p6t h VAL 125 Ca -0.27 -0.22 0.13 0.00 -1.23 0.00 0.00 66.70 65.11 1p6t h VAL 125 Cb 1.25 -0.02 -0.09 0.00 -2.13 0.00 0.00 31.29 30.30 1p6t h VAL 125 CO 0.37 0.12 0.50 0.28 -1.23 0.00 0.00 177.57 177.61 1p6t h SER 126 N 0.64 0.68 -0.21 4.19 0.02 -1.98 0.19 113.55 117.07 1p6t h SER 126 Ca 0.56 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.55 1p6t h SER 126 Cb 1.04 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1p6t h SER 126 CO -0.33 0.33 0.03 -0.78 -1.14 0.00 0.00 176.83 174.94 1p6t h ASP 127 N 0.76 0.34 -0.59 3.07 3.58 -1.27 -0.37 116.42 121.93 1p6t h ASP 127 Ca 0.46 -0.27 0.01 0.00 0.42 0.00 0.00 57.03 57.66 1p6t h ASP 127 Cb 0.56 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 1p6t h ASP 127 CO -0.31 0.52 0.38 -0.07 -2.88 0.00 0.00 179.24 176.88 1p6t h LEU 128 N 0.14 0.65 0.31 2.28 3.38 -1.03 0.24 115.31 121.29 1p6t h LEU 128 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1p6t h LEU 128 Cb 0.33 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1p6t h LEU 128 CO 0.01 0.47 -0.43 0.11 0.09 0.00 0.00 178.44 178.68 1p6t h LYS 129 N 0.77 -0.76 -0.98 1.13 1.57 -0.55 -0.70 116.57 117.05 1p6t h LYS 129 Ca 0.22 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 59.17 1p6t h LYS 129 Cb -0.06 0.17 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 1p6t h LYS 129 CO -0.06 -0.51 0.62 0.93 -0.57 0.00 0.00 179.45 179.86 1p6t h GLU 130 N -0.79 0.93 0.68 3.15 5.08 0.20 0.18 114.58 124.02 1p6t h GLU 130 Ca -0.02 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1p6t h GLU 130 Cb 0.74 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.79 1p6t h GLU 130 CO -0.13 0.62 -0.33 0.00 -1.00 0.00 0.00 179.01 178.16 1p6t h ALA 131 N 1.54 -0.92 -0.05 3.43 0.00 -0.38 -2.36 119.26 120.53 1p6t h ALA 131 Ca 0.48 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1p6t h ALA 131 Cb 0.49 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1p6t h ALA 131 CO -0.24 -0.99 -0.25 0.28 0.00 0.00 0.00 179.25 178.04 1p6t h VAL 132 N -0.97 1.21 -0.60 0.00 2.07 -0.23 0.12 116.25 117.85 1p6t h VAL 132 Ca -0.09 -0.98 0.10 0.00 0.82 0.00 0.00 66.70 66.55 1p6t h VAL 132 Cb 0.72 1.46 -0.08 0.00 -1.52 0.00 0.00 31.29 31.87 1p6t h VAL 132 CO 0.15 0.29 0.20 0.44 0.02 0.00 0.00 177.57 178.67 1p6t h ASP 133 N 0.08 0.16 -0.78 0.57 5.19 -0.62 0.13 116.42 121.15 1p6t h ASP 133 Ca 0.01 0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 1p6t h ASP 133 Cb 0.50 0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.06 1p6t h ASP 133 CO 0.04 0.09 0.38 0.50 -3.12 0.00 0.00 179.24 177.13 1p6t h LYS 134 N 0.36 1.13 0.00 3.56 1.63 -0.25 -1.52 116.57 121.47 1p6t h LYS 134 Ca 0.31 -0.16 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 1p6t h LYS 134 Cb 0.40 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1p6t h LYS 134 CO -0.33 0.86 -0.17 -0.07 -3.45 0.00 0.00 179.45 176.29 1p6t h LEU 135 N 1.12 0.00 -0.41 5.20 -0.00 -0.12 -3.47 115.31 117.63 1p6t h LEU 135 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1p6t h LEU 135 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1p6t h LEU 135 CO -0.04 0.17 0.00 0.61 -0.00 0.00 0.00 178.44 179.19 1p6t n GLY 136 N -0.97 0.99 0.00 0.83 0.00 0.33 -5.09 105.19 101.28 1p6t n GLY 136 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.93 0.00 -3.84 1.61 4.01 -1.02 -5.04 117.16 110.95 1p6t n TYR 137 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 1p6t n TYR 137 Cb 0.30 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.25 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 1.07 0.65 0.06 -0.72 0.00 -1.13 -4.16 119.74 115.50 1p6t s LYS 138 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 55.97 55.45 1p6t s LYS 138 Cb 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 37.83 38.06 1p6t s LYS 138 CO 0.00 -0.18 0.12 -0.51 0.00 0.00 0.00 175.35 174.78 1p6t s LEU 139 N -1.85 4.01 0.36 2.77 1.43 -1.26 -2.19 118.68 121.94 1p6t s LEU 139 Ca -0.08 0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.20 1p6t s LEU 139 Cb -0.03 -2.61 -0.07 0.00 0.03 0.00 0.00 46.19 43.52 1p6t s LEU 139 CO -0.02 0.19 -0.03 -0.54 0.23 0.00 0.00 176.35 176.18 1p6t s LYS 140 N -2.32 1.83 -0.09 1.70 1.02 0.15 -4.96 119.74 117.07 1p6t s LYS 140 Ca 0.30 -1.99 0.01 0.00 0.02 0.00 0.00 55.97 54.31 1p6t s LYS 140 Cb -0.12 -1.53 -0.03 0.00 -0.52 0.00 0.00 37.83 35.63 1p6t s LYS 140 CO 0.23 0.02 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.07 1p6t s LEU 141 N -3.62 2.99 -1.15 3.17 1.02 -1.26 -0.19 118.68 119.64 1p6t s LEU 141 Ca 0.34 -0.14 -0.21 0.00 0.02 0.00 0.00 54.13 54.14 1p6t s LEU 141 Cb 0.06 -1.66 0.05 0.00 0.02 0.00 0.00 46.19 44.67 1p6t s LEU 141 CO 0.16 0.29 1.62 -0.54 0.02 0.00 0.00 176.35 177.90 1p6t s LYS 142 N -0.38 3.71 0.00 1.70 1.02 -1.20 -4.60 119.74 119.99 1p6t s LYS 142 Ca 0.05 -1.51 0.00 0.00 0.02 0.00 0.00 55.97 54.53 1p6t s LYS 142 Cb -0.12 -5.43 0.00 0.00 -0.52 0.00 0.00 37.83 31.75 1p6t s LYS 142 CO 0.02 -2.32 0.00 0.41 -0.92 0.00 0.00 175.35 172.54 1p6t n GLY 143 N 6.15 2.12 4.00 -3.33 0.00 -1.26 -4.71 105.19 108.16 1p6t n GLY 143 Ca 0.41 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 1p6t n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p6t n GLU 144 N 0.00 -1.10 0.01 1.61 -0.58 -1.26 -4.56 120.64 114.76 1p6t n GLU 144 Ca 0.00 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 1p6t n GLU 144 Cb 0.00 -3.43 0.00 0.00 -0.57 0.00 0.00 31.44 27.44 1p6t n GLU 144 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1p6t n GLN 145 N -4.66 0.00 -0.00 3.49 6.02 -1.26 -4.99 117.38 115.98 1p6t n GLN 145 Ca -0.18 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.86 1p6t n GLN 145 Cb 0.61 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.81 1p6t n GLN 145 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1p6t n ASP 146 N -2.46 0.74 -0.00 1.08 8.00 -1.26 -4.39 116.55 118.25 1p6t n ASP 146 Ca 0.00 -0.66 0.09 0.00 0.71 0.00 0.00 54.79 54.93 1p6t n ASP 146 Cb 0.00 1.06 -0.13 0.00 -0.02 0.00 0.00 41.12 42.03 1p6t n ASP 146 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1p6t n SER 147 N -1.33 0.73 -3.08 -2.24 3.41 -1.26 -4.77 113.62 105.09 1p6t n SER 147 Ca 0.02 -0.51 -0.34 0.00 -0.26 0.00 0.00 58.87 57.77 1p6t n SER 147 Cb 0.18 1.41 -0.05 0.00 -0.26 0.00 0.00 64.21 65.49 1p6t n SER 147 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1p6t n ILE 148 N -1.78 4.18 0.00 -1.33 2.08 -1.26 -3.66 119.36 117.59 1p6t n ILE 148 Ca 0.00 -2.63 0.00 0.00 0.56 0.00 0.00 62.75 60.69 1p6t n ILE 148 Cb 0.39 -2.41 0.00 0.00 -0.75 0.00 0.00 39.64 36.87 1p6t n ILE 148 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1p6t n GLU 149 N 3.07 0.00 -1.17 0.38 1.02 -1.26 -5.05 120.64 117.63 1p6t n GLU 149 Ca 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1p6t n GLU 149 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.78 1p6t n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p6t n GLY 150 N -0.34 -0.24 0.30 0.62 0.00 -1.24 -5.27 105.19 99.03 1p6t n GLY 150 Ca 0.00 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 45.90 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19