#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 -5.38 -0.72 3.17 4.77 -1.26 -4.76 117.00 112.82 1p6t n LEU 2 Ca 0.00 1.03 0.09 0.00 -0.03 0.00 0.00 56.01 57.10 1p6t n LEU 2 Cb 0.00 -2.43 -0.04 0.00 -2.33 0.00 0.00 43.42 38.62 1p6t n LEU 2 CO 0.00 -2.12 -0.24 -1.20 -1.33 0.00 0.00 177.39 172.50 1p6t n SER 3 N 0.60 -4.26 -2.08 -1.43 7.64 -1.26 -4.27 113.62 108.57 1p6t n SER 3 Ca -0.07 0.54 -0.10 0.00 1.01 0.00 0.00 58.87 60.25 1p6t n SER 3 Cb 0.11 -2.34 -0.13 0.00 -1.01 0.00 0.00 64.21 60.84 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 -3.37 1.61 -4.40 1.43 1.02 -1.26 -4.74 120.64 110.93 1p6t n GLU 4 Ca -0.02 -0.79 -0.28 0.00 -0.02 0.00 0.00 57.16 56.05 1p6t n GLU 4 Cb 0.34 -1.89 -0.13 0.00 -0.02 0.00 0.00 31.44 29.74 1p6t n GLU 4 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1p6t s GLN 5 N 1.34 1.36 -0.01 3.49 -1.52 -1.26 -4.04 119.66 119.03 1p6t s GLN 5 Ca 0.53 -1.29 -0.04 0.00 -1.95 0.00 0.00 55.36 52.61 1p6t s GLN 5 Cb 0.25 -1.78 -0.00 0.00 -0.22 0.00 0.00 33.01 31.26 1p6t s GLN 5 CO 0.00 0.42 0.09 -1.59 -0.25 0.00 0.00 175.29 173.96 1p6t s LYS 6 N -1.96 0.33 0.42 2.91 0.00 -0.90 -4.59 119.74 115.95 1p6t s LYS 6 Ca 0.12 -0.29 -0.14 0.00 0.00 0.00 0.00 55.97 55.66 1p6t s LYS 6 Cb -0.10 0.14 -0.08 0.00 0.00 0.00 0.00 37.83 37.79 1p6t s LYS 6 CO 0.05 -0.07 0.84 -1.83 0.00 0.00 0.00 175.35 174.34 1p6t s GLU 7 N -0.98 3.92 -0.15 1.78 1.03 -1.26 -2.08 118.70 120.96 1p6t s GLU 7 Ca -0.11 0.71 -0.04 0.00 0.03 0.00 0.00 54.97 55.56 1p6t s GLU 7 Cb -0.06 -2.31 0.07 0.00 -0.80 0.00 0.00 34.13 31.03 1p6t s GLU 7 CO 0.01 -0.06 0.19 -1.50 -1.33 0.00 0.00 175.26 172.57 1p6t s ILE 8 N -2.33 -0.29 -0.13 1.83 2.07 0.69 -4.90 121.20 118.15 1p6t s ILE 8 Ca 0.55 0.09 -0.15 0.00 -1.41 0.00 0.00 60.65 59.73 1p6t s ILE 8 Cb -0.10 -0.50 -0.05 0.00 0.13 0.00 0.00 42.46 41.94 1p6t s ILE 8 CO 0.26 -0.05 0.37 0.00 -1.91 0.00 0.00 174.94 173.61 1p6t s ALA 9 N 2.30 3.56 0.19 1.50 0.00 -1.26 -1.08 121.76 126.98 1p6t s ALA 9 Ca 0.04 -0.33 -0.08 0.00 0.00 0.00 0.00 51.96 51.60 1p6t s ALA 9 Cb -0.14 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 1p6t s ALA 9 CO -0.09 0.11 0.28 -1.64 0.00 0.00 0.00 175.76 174.42 1p6t s MET 10 N 0.32 1.23 -0.32 0.00 -1.94 0.42 -2.97 119.30 116.04 1p6t s MET 10 Ca 0.21 -1.29 -0.11 0.00 -1.71 0.00 0.00 55.69 52.79 1p6t s MET 10 Cb -0.14 0.37 -0.01 0.00 2.01 0.00 0.00 34.83 37.05 1p6t s MET 10 CO 0.07 -0.45 0.20 -1.14 -0.01 0.00 0.00 175.02 173.69 1p6t s GLN 11 N -4.02 3.45 0.06 2.03 0.74 -1.26 -0.26 119.66 120.40 1p6t s GLN 11 Ca 0.23 -0.66 0.07 0.00 0.05 0.00 0.00 55.36 55.04 1p6t s GLN 11 Cb 0.03 -3.69 -0.03 0.00 1.10 0.00 0.00 33.01 30.42 1p6t s GLN 11 CO 0.04 -0.42 -0.15 0.54 -0.55 0.00 0.00 175.29 174.75 1p6t s VAL 12 N 1.68 3.00 0.70 1.34 0.11 -1.26 -1.30 120.40 124.67 1p6t s VAL 12 Ca 0.05 -1.20 0.00 0.00 -2.93 0.00 0.00 61.98 57.91 1p6t s VAL 12 Cb -0.17 -2.31 0.12 0.00 -1.53 0.00 0.00 36.38 32.49 1p6t s VAL 12 CO 0.09 0.27 0.97 -0.44 -3.33 0.00 0.00 175.10 172.66 1p6t s SER 13 N -1.67 4.44 0.00 3.54 0.01 0.00 -4.55 113.70 115.46 1p6t s SER 13 Ca 0.16 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1p6t s SER 13 Cb -0.11 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1p6t s SER 13 CO 0.08 -1.80 0.00 0.61 0.41 0.00 0.00 173.24 172.54 1p6t n GLY 14 N -2.76 0.49 3.29 3.44 0.00 -1.26 -4.42 105.19 103.96 1p6t n GLY 14 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1p6t n GLY 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1p6t n MET 15 N -2.60 1.79 -0.21 1.61 2.00 -1.26 -4.71 117.12 113.75 1p6t n MET 15 Ca 0.00 -2.26 0.01 0.00 0.00 0.00 0.00 57.70 55.46 1p6t n MET 15 Cb 0.04 -3.29 0.12 0.00 0.00 0.00 0.00 33.22 30.09 1p6t n MET 15 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1p6t h THR 16 N 5.14 0.65 0.00 2.03 2.02 -1.97 -3.48 112.91 117.30 1p6t h THR 16 Ca 0.36 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.44 1p6t h THR 16 Cb 0.78 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1p6t h THR 16 CO 1.65 0.05 0.00 0.00 0.37 0.00 0.00 175.52 177.59 1p6t n ALA 18 N 0.00 3.16 0.05 0.00 0.00 -1.26 -2.50 120.51 119.96 1p6t n ALA 18 Ca 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 53.44 51.07 1p6t n ALA 18 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.15 1p6t n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t n ALA 19 N 6.28 0.00 0.45 0.00 0.00 -1.26 -4.82 120.51 121.15 1p6t n ALA 19 Ca 0.41 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.66 1p6t n ALA 19 Cb 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.62 1p6t n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t h ALA 21 N -1.04 0.51 -0.88 0.00 0.00 -1.87 -2.65 119.26 113.34 1p6t h ALA 21 Ca -0.11 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 54.87 1p6t h ALA 21 Cb 0.91 -0.16 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 1p6t h ALA 21 CO 0.16 0.08 0.44 0.00 0.00 0.00 0.00 179.25 179.92 1p6t h ALA 22 N 1.04 1.37 -0.19 0.00 0.00 -1.79 0.17 119.26 119.87 1p6t h ALA 22 Ca 0.14 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1p6t h ALA 22 Cb 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1p6t h ALA 22 CO -0.02 -0.19 0.06 0.00 0.00 0.00 0.00 179.25 179.10 1p6t h ARG 23 N 0.55 0.14 0.61 0.00 2.47 -0.39 0.14 114.38 117.89 1p6t h ARG 23 Ca 0.51 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 59.20 1p6t h ARG 23 Cb 0.84 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.11 1p6t h ARG 23 CO -0.43 0.09 -0.48 0.82 0.56 0.00 0.00 179.97 180.54 1p6t h ILE 24 N 0.14 0.06 -0.55 2.04 2.04 -0.45 0.42 117.51 121.20 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 0.06 0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.14 1p6t h ILE 24 CO -0.09 0.00 0.28 -0.33 0.00 0.00 0.00 178.15 178.01 1p6t h GLU 25 N -1.06 0.51 0.00 2.37 4.39 -0.71 0.45 114.58 120.53 1p6t h GLU 25 Ca -0.08 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1p6t h GLU 25 Cb 0.88 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1p6t h GLU 25 CO 0.01 0.34 0.00 -0.22 -1.16 0.00 0.00 179.01 177.98 1p6t h LYS 26 N 0.53 0.00 0.15 2.33 3.64 -0.64 0.33 116.57 122.91 1p6t h LYS 26 Ca 0.25 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.29 1p6t h LYS 26 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1p6t h LYS 26 CO -0.18 0.00 -1.70 0.78 -2.27 0.00 0.00 179.45 176.08 1p6t h GLY 27 N 1.33 0.37 1.03 5.01 0.00 0.14 -3.39 103.07 107.56 1p6t h GLY 27 Ca 0.00 -0.96 -0.07 0.00 0.00 0.00 0.00 47.33 46.31 1p6t h GLY 27 CO 0.00 0.84 0.11 1.41 0.00 0.00 0.00 176.54 178.89 1p6t h LEU 28 N 0.09 0.93 -1.31 3.11 3.38 0.81 -1.74 115.31 120.57 1p6t h LEU 28 Ca -0.32 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1p6t h LEU 28 Cb 2.07 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1p6t h LEU 28 CO 0.16 0.95 0.27 0.11 0.09 0.00 0.00 178.44 180.02 1p6t h LYS 29 N 0.87 0.00 0.00 1.13 6.56 -1.16 0.80 116.57 124.77 1p6t h LYS 29 Ca 0.18 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.76 1p6t h LYS 29 Cb 0.41 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.07 1p6t h LYS 29 CO 0.01 0.00 -0.04 -0.09 -2.06 0.00 0.00 179.45 177.27 1p6t h ARG 30 N 0.00 0.00 -6.98 3.15 9.65 -1.50 -3.43 114.38 115.27 1p6t h ARG 30 Ca 0.00 0.00 -0.45 0.00 -1.10 0.00 0.00 59.98 58.43 1p6t h ARG 30 Cb 0.53 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.09 1p6t h ARG 30 CO 0.00 0.04 0.34 -1.64 2.80 0.00 0.00 179.97 181.51 1p6t s MET 31 N -4.85 4.38 0.08 0.20 -1.94 0.27 -5.01 119.30 112.43 1p6t s MET 31 Ca -0.05 1.21 -0.16 0.00 -1.71 0.00 0.00 55.69 54.98 1p6t s MET 31 Cb 0.16 -2.45 -0.13 0.00 2.01 0.00 0.00 34.83 34.42 1p6t s MET 31 CO 0.64 0.11 1.34 -1.00 -0.01 0.00 0.00 175.02 176.09 1p6t h PRO 32 N 2.46 0.65 0.00 2.03 0.13 -1.87 -3.29 132.00 132.11 1p6t h PRO 32 Ca -0.48 -0.42 -0.04 0.00 -0.87 0.00 0.00 66.00 64.18 1p6t h PRO 32 Cb 1.18 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1p6t h PRO 32 CO 0.63 1.04 -0.21 0.78 -0.23 0.00 0.00 178.00 180.01 1p6t h GLY 33 N 0.33 0.00 -7.21 1.56 0.00 -1.93 -3.41 103.07 92.41 1p6t h GLY 33 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.78 1p6t h GLY 33 CO 0.09 0.00 1.56 -0.62 0.00 0.00 0.00 176.54 177.58 1p6t n VAL 34 N -3.59 0.08 -0.08 4.60 0.31 -1.24 -0.75 118.33 117.66 1p6t n VAL 34 Ca -0.01 -0.45 -0.22 0.00 -0.01 0.00 0.00 64.34 63.65 1p6t n VAL 34 Cb 0.35 -2.03 -0.12 0.00 -0.91 0.00 0.00 33.84 31.13 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 7.47 0.86 -2.30 2.52 2.02 -1.30 -3.47 112.91 118.71 1p6t h THR 35 Ca -0.25 -2.21 -0.19 0.00 0.77 0.00 0.00 66.41 64.53 1p6t h THR 35 Cb 1.29 2.28 -0.31 0.00 -1.74 0.00 0.00 68.15 69.67 1p6t h THR 35 CO 1.12 0.43 -0.50 -0.62 0.37 0.00 0.00 175.52 176.32 1p6t s ASP 36 N -6.90 0.42 -0.24 4.18 -1.08 -0.03 -5.02 116.67 107.99 1p6t s ASP 36 Ca -0.27 0.32 -0.02 0.00 -0.52 0.00 0.00 52.55 52.06 1p6t s ASP 36 Cb 0.06 0.93 0.02 0.00 -1.46 0.00 0.00 42.92 42.46 1p6t s ASP 36 CO 0.63 -0.28 -0.06 0.00 0.52 0.00 0.00 175.17 175.98 1p6t s ALA 37 N 2.49 2.71 0.18 3.66 0.00 -1.26 0.07 121.76 129.61 1p6t s ALA 37 Ca 0.07 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.65 1p6t s ALA 37 Cb -0.14 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 1p6t s ALA 37 CO -0.13 -0.72 0.03 -0.80 0.00 0.00 0.00 175.76 174.14 1p6t s ASN 38 N 1.36 1.07 -0.24 0.00 0.01 0.04 -4.95 114.94 112.22 1p6t s ASN 38 Ca 0.02 -1.22 -0.05 0.00 -0.71 0.00 0.00 52.86 50.89 1p6t s ASN 38 Cb -0.16 0.15 0.12 0.00 0.41 0.00 0.00 41.25 41.78 1p6t s ASN 38 CO -0.05 -0.62 0.46 0.54 -1.51 0.00 0.00 177.10 175.93 1p6t s VAL 39 N -3.74 -0.73 -1.12 1.60 0.11 -1.26 -0.54 120.40 114.72 1p6t s VAL 39 Ca 0.27 0.06 -0.17 0.00 -2.93 0.00 0.00 61.98 59.21 1p6t s VAL 39 Cb 0.07 -0.80 0.13 0.00 -1.53 0.00 0.00 36.38 34.25 1p6t s VAL 39 CO 0.05 -0.00 1.39 0.21 -3.33 0.00 0.00 175.10 173.42 1p6t s ASN 40 N 2.67 6.85 0.56 3.54 3.84 0.81 -4.83 114.94 128.37 1p6t s ASN 40 Ca 0.04 -2.48 0.32 0.00 0.21 0.00 0.00 52.86 50.95 1p6t s ASN 40 Cb -0.13 -2.44 1.63 0.00 -0.55 0.00 0.00 41.25 39.76 1p6t s ASN 40 CO -0.16 -0.98 2.12 0.17 -2.79 0.00 0.00 177.10 175.47 1p6t h LEU 41 N 10.64 0.00 -1.22 3.21 8.10 -1.94 0.46 115.31 134.56 1p6t h LEU 41 Ca 0.28 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 58.21 1p6t h LEU 41 Cb 0.93 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.14 1p6t h LEU 41 CO 1.25 0.07 -0.07 0.00 -4.11 0.00 0.00 178.44 175.58 1p6t h ALA 42 N 1.93 1.36 -0.15 0.17 0.00 -1.96 -2.75 119.26 117.86 1p6t h ALA 42 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1p6t h ALA 42 Cb 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1p6t h ALA 42 CO 0.01 0.44 0.00 0.25 0.00 0.00 0.00 179.25 179.95 1p6t n THR 43 N -4.25 1.34 -3.72 0.00 -2.24 -1.01 -5.03 114.28 99.38 1p6t n THR 43 Ca 0.01 -1.35 -0.23 0.00 -2.27 0.00 0.00 64.05 60.21 1p6t n THR 43 Cb 0.28 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.35 -1.55 -3.62 -0.78 1.02 -0.20 -5.01 120.64 110.16 1p6t n GLU 44 Ca 0.09 0.86 -0.22 0.00 -0.02 0.00 0.00 57.16 57.87 1p6t n GLU 44 Cb 0.47 -2.57 -0.17 0.00 -0.02 0.00 0.00 31.44 29.16 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 -2.91 -0.15 0.02 2.62 2.01 -0.02 -4.52 115.64 112.70 1p6t s THR 45 Ca 0.02 0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.81 1p6t s THR 45 Cb -0.00 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 1p6t s THR 45 CO 0.88 -0.10 0.88 0.54 -0.69 0.00 0.00 174.62 176.14 1p6t s VAL 46 N 2.19 4.78 -0.16 3.82 0.11 0.64 -0.14 120.40 131.66 1p6t s VAL 46 Ca 0.04 1.86 -0.02 0.00 -2.93 0.00 0.00 61.98 60.93 1p6t s VAL 46 Cb -0.14 -4.23 0.05 0.00 -1.53 0.00 0.00 36.38 30.52 1p6t s VAL 46 CO -0.07 0.26 -0.00 0.21 -3.33 0.00 0.00 175.10 172.16 1p6t s ASN 47 N 0.50 2.58 -0.06 3.54 3.84 0.30 -0.43 114.94 125.20 1p6t s ASN 47 Ca 0.45 -0.60 0.05 0.00 0.21 0.00 0.00 52.86 52.98 1p6t s ASN 47 Cb -0.21 -0.68 -0.01 0.00 -0.55 0.00 0.00 41.25 39.80 1p6t s ASN 47 CO 0.26 -0.24 -0.23 -0.69 -2.79 0.00 0.00 177.10 173.41 1p6t s VAL 48 N 1.80 2.26 -0.17 -5.21 1.01 -0.24 -0.78 120.40 119.07 1p6t s VAL 48 Ca 0.01 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1p6t s VAL 48 Cb -0.15 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1p6t s VAL 48 CO -0.07 0.57 -0.19 -0.63 0.00 0.00 0.00 175.10 174.77 1p6t s ILE 49 N -0.18 1.99 0.27 2.22 1.01 0.11 -0.22 121.20 126.40 1p6t s ILE 49 Ca -0.02 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.56 1p6t s ILE 49 Cb -0.14 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.54 1p6t s ILE 49 CO 0.03 0.53 0.59 -0.72 0.00 0.00 0.00 174.94 175.38 1p6t s TYR 50 N 1.26 0.15 -0.30 3.97 -0.85 -0.88 -0.85 117.35 119.84 1p6t s TYR 50 Ca 0.03 -0.57 -0.29 0.00 -0.52 0.00 0.00 57.07 55.73 1p6t s TYR 50 Cb -0.13 0.43 0.01 0.00 0.38 0.00 0.00 41.96 42.65 1p6t s TYR 50 CO -0.11 -1.13 1.09 0.34 -1.52 0.00 0.00 175.55 174.22 1p6t s ASP 51 N -2.99 6.94 0.00 -0.18 -1.08 0.07 -2.13 116.67 117.30 1p6t s ASP 51 Ca 0.18 1.13 0.00 0.00 -0.52 0.00 0.00 52.55 53.34 1p6t s ASP 51 Cb -0.03 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 1p6t s ASP 51 CO 0.09 -0.86 1.62 -0.81 0.52 0.00 0.00 175.17 175.73 1p6t n PRO 52 N 6.81 0.98 -0.55 4.34 -0.04 -1.26 -3.21 135.00 142.08 1p6t n PRO 52 Ca 0.12 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.58 1p6t n PRO 52 Cb 0.47 -1.01 -0.01 0.00 -0.04 0.00 0.00 33.50 32.91 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 1.16 2.15 0.00 0.55 0.00 -1.26 -4.90 120.51 118.21 1p6t n ALA 53 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1p6t n ALA 53 Cb 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.20 -5.04 120.64 115.42 1p6t n GLU 54 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1p6t n GLU 54 Cb 0.53 -0.27 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 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 -2.60 0.00 0.00 2.62 -1.04 -1.24 -4.97 114.28 107.06 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 0.21 -0.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 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 2.50 2.53 0.21 3.41 0.00 -1.26 -4.58 105.19 108.00 1p6t n GLY 56 Ca 0.00 -1.12 0.03 0.00 0.00 0.00 0.00 46.02 44.93 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 1.23 -0.25 -0.22 2.61 5.66 -1.26 0.49 114.28 122.54 1p6t n THR 57 Ca 0.00 1.31 -0.03 0.00 -3.05 0.00 0.00 64.05 62.28 1p6t n THR 57 Cb 0.00 -1.79 0.16 0.00 -1.55 0.00 0.00 70.33 67.15 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 1.07 1.23 -0.27 1.79 0.00 -1.91 -0.68 119.26 120.48 1p6t h ALA 58 Ca 0.26 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1p6t h ALA 58 Cb 0.40 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1p6t h ALA 58 CO -0.58 0.58 -0.46 0.00 0.00 0.00 0.00 179.25 178.79 1p6t h ALA 59 N 1.34 0.68 0.19 0.00 0.00 -0.21 0.16 119.26 121.42 1p6t h ALA 59 Ca 0.24 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1p6t h ALA 59 Cb 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1p6t h ALA 59 CO -0.03 0.67 -0.30 0.82 0.00 0.00 0.00 179.25 180.41 1p6t h ILE 60 N 0.57 0.36 -0.72 0.00 1.08 -0.44 0.15 117.51 118.50 1p6t h ILE 60 Ca 0.03 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.46 1p6t h ILE 60 Cb 1.01 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 1p6t h ILE 60 CO 0.10 0.00 0.28 0.06 -0.69 0.00 0.00 178.15 177.90 1p6t h GLN 61 N -0.57 1.06 -0.79 2.37 -0.00 -1.06 -1.00 115.11 115.13 1p6t h GLN 61 Ca 0.01 -0.19 0.08 0.00 -0.00 0.00 0.00 58.65 58.56 1p6t h GLN 61 Cb 0.56 -0.18 -0.07 0.00 -0.00 0.00 0.00 27.48 27.80 1p6t h GLN 61 CO -0.13 0.87 0.46 1.49 -0.00 0.00 0.00 178.83 181.52 1p6t h GLU 62 N 1.04 0.77 -0.43 0.06 4.81 -0.25 -0.17 114.58 120.41 1p6t h GLU 62 Ca 0.24 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1p6t h GLU 62 Cb 0.20 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1p6t h GLU 62 CO -0.02 0.51 0.28 -0.22 -0.73 0.00 0.00 179.01 178.84 1p6t h LYS 63 N 0.80 0.56 -0.44 1.92 3.11 0.58 0.21 116.57 123.32 1p6t h LYS 63 Ca 0.37 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 58.16 1p6t h LYS 63 Cb 0.28 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.37 1p6t h LYS 63 CO -0.22 0.37 0.23 0.82 -2.81 0.00 0.00 179.45 177.84 1p6t h ILE 64 N 0.58 1.17 -0.34 2.00 2.04 -0.58 0.34 117.51 122.72 1p6t h ILE 64 Ca 0.16 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1p6t h ILE 64 Cb -0.06 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1p6t h ILE 64 CO -0.04 0.18 0.01 -0.33 0.00 0.00 0.00 178.15 177.97 1p6t h GLU 65 N 0.57 0.60 -0.91 2.37 5.08 -0.58 -2.46 114.58 119.26 1p6t h GLU 65 Ca 0.15 -0.19 0.15 0.00 -1.00 0.00 0.00 59.36 58.48 1p6t h GLU 65 Cb 0.08 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.18 1p6t h GLU 65 CO -0.02 0.72 0.51 0.87 -1.00 0.00 0.00 179.01 180.08 1p6t h LYS 66 N 0.41 0.69 0.00 2.33 1.79 -0.44 0.16 116.57 121.50 1p6t h LYS 66 Ca 0.10 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1p6t h LYS 66 Cb 0.44 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1p6t h LYS 66 CO 0.02 0.45 0.00 -0.07 -1.08 0.00 0.00 179.45 178.77 1p6t h LEU 67 N 0.71 0.00 -0.19 2.94 -0.00 -0.46 -3.46 115.31 114.85 1p6t h LEU 67 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.38 1p6t h LEU 67 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 1p6t h LEU 67 CO -0.36 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.69 1p6t n GLY 68 N -0.93 0.88 3.49 0.83 0.00 0.54 -5.08 105.19 104.92 1p6t n GLY 68 Ca -0.01 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.97 1.78 -0.01 1.61 1.51 -1.08 -5.04 117.35 114.15 1p6t s TYR 69 Ca 0.00 -1.32 -0.04 0.00 -1.01 0.00 0.00 57.07 54.70 1p6t s TYR 69 Cb 0.00 -1.11 0.00 0.00 -0.11 0.00 0.00 41.96 40.74 1p6t s TYR 69 CO 0.00 -0.35 0.09 -1.01 -1.11 0.00 0.00 175.55 173.17 1p6t s HIS 70 N -3.24 0.03 -0.10 2.71 3.76 -1.26 -4.22 115.29 112.97 1p6t s HIS 70 Ca 0.25 -0.06 -0.06 0.00 -0.15 0.00 0.00 55.06 55.05 1p6t s HIS 70 Cb 0.03 -0.05 -0.04 0.00 1.11 0.00 0.00 32.58 33.63 1p6t s HIS 70 CO 0.16 -0.18 0.12 0.14 -0.85 0.00 0.00 174.74 174.13 1p6t s VAL 71 N -0.87 5.30 -1.50 -0.90 -7.23 -1.26 -0.82 120.40 113.12 1p6t s VAL 71 Ca -0.10 0.08 -0.08 0.00 -1.81 0.00 0.00 61.98 60.07 1p6t s VAL 71 Cb -0.06 -3.32 -0.00 0.00 0.56 0.00 0.00 36.38 33.56 1p6t s VAL 71 CO 0.00 0.58 2.71 0.52 -0.31 0.00 0.00 175.10 178.60 1p6t n VAL 72 N 1.86 4.66 -5.25 1.32 0.31 -0.42 -4.88 118.33 115.94 1p6t n VAL 72 Ca -0.19 -3.29 -0.31 0.00 -0.01 0.00 0.00 64.34 60.54 1p6t n VAL 72 Cb 0.54 -2.40 -0.16 0.00 -0.91 0.00 0.00 33.84 30.91 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 0.88 2.01 0.03 2.52 2.01 -1.26 -4.16 115.64 117.66 1p6t s THR 73 Ca 0.63 -1.06 0.05 0.00 0.31 0.00 0.00 61.69 61.62 1p6t s THR 73 Cb 0.18 -1.69 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1p6t s THR 73 CO -0.07 0.56 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.67 1p6t s GLU 74 N -0.29 0.95 -0.80 4.92 0.41 0.11 -4.90 118.70 119.10 1p6t s GLU 74 Ca 0.01 -0.68 -0.15 0.00 -0.41 0.00 0.00 54.97 53.73 1p6t s GLU 74 Cb -0.12 -0.95 0.18 0.00 -1.78 0.00 0.00 34.13 31.46 1p6t s GLU 74 CO 0.02 0.24 0.81 -1.59 -0.49 0.00 0.00 175.26 174.25 1p6t s LYS 75 N -0.94 3.50 0.34 1.61 -2.85 -1.26 -1.18 119.74 118.97 1p6t s LYS 75 Ca 0.02 -2.17 -0.06 0.00 -1.00 0.00 0.00 55.97 52.77 1p6t s LYS 75 Cb -0.07 -4.50 -0.05 0.00 -2.06 0.00 0.00 37.83 31.15 1p6t s LYS 75 CO 0.01 -1.41 0.63 0.00 0.10 0.00 0.00 175.35 174.68 1p6t s ALA 76 N 0.98 3.54 -0.24 0.59 0.00 0.26 -4.89 121.76 122.00 1p6t s ALA 76 Ca 0.19 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 1p6t s ALA 76 Cb -0.12 -2.41 0.03 0.00 0.00 0.00 0.00 23.12 20.62 1p6t s ALA 76 CO -0.07 0.09 -0.09 -1.21 0.00 0.00 0.00 175.76 174.49 1p6t s GLU 77 N -3.83 2.78 -0.08 0.00 0.41 -1.26 -0.07 118.70 116.64 1p6t s GLU 77 Ca 0.46 -1.01 0.02 0.00 -0.41 0.00 0.00 54.97 54.03 1p6t s GLU 77 Cb -0.10 -2.92 -0.02 0.00 -1.78 0.00 0.00 34.13 29.31 1p6t s GLU 77 CO 0.33 -0.40 -0.14 -0.06 -0.49 0.00 0.00 175.26 174.50 1p6t s PHE 78 N 1.29 2.75 0.19 1.61 0.08 -0.00 -2.66 117.98 121.23 1p6t s PHE 78 Ca -0.00 -0.36 -0.23 0.00 0.12 0.00 0.00 56.93 56.45 1p6t s PHE 78 Cb -0.17 -1.72 -0.08 0.00 -0.57 0.00 0.00 43.02 40.49 1p6t s PHE 78 CO -0.06 0.02 0.75 0.34 -0.10 0.00 0.00 175.22 176.17 1p6t s ASP 79 N -0.28 7.23 -0.10 1.36 -1.08 0.13 -0.23 116.67 123.70 1p6t s ASP 79 Ca 0.02 1.54 0.03 0.00 -0.52 0.00 0.00 52.55 53.63 1p6t s ASP 79 Cb -0.13 -2.46 -0.01 0.00 -1.46 0.00 0.00 42.92 38.86 1p6t s ASP 79 CO 0.03 0.13 -0.21 -0.63 0.52 0.00 0.00 175.17 175.00 1p6t s ILE 80 N -1.33 2.31 -0.29 4.11 1.01 0.10 0.12 121.20 127.22 1p6t s ILE 80 Ca 0.39 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 1p6t s ILE 80 Cb -0.20 -1.90 0.04 0.00 0.01 0.00 0.00 42.46 40.42 1p6t s ILE 80 CO 0.23 0.55 0.00 -1.61 0.00 0.00 0.00 174.94 174.12 1p6t s GLU 81 N 0.23 2.56 0.00 2.79 2.02 -0.04 -4.72 118.70 121.54 1p6t s GLU 81 Ca -0.14 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.67 1p6t s GLU 81 Cb -0.17 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.89 1p6t s GLU 81 CO 0.07 -0.57 0.00 0.41 0.02 0.00 0.00 175.26 175.19 1p6t n GLY 82 N 4.66 -0.01 3.52 -1.39 0.00 -1.26 -1.43 105.19 109.27 1p6t n GLY 82 Ca -0.14 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.32 0.04 1.61 0.00 -1.26 -4.98 117.12 112.20 1p6t n MET 83 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.66 1p6t n MET 83 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 33.22 31.16 1p6t n MET 83 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1p6t n THR 84 N -3.80 0.38 0.00 3.17 -2.24 -1.26 -5.06 114.28 105.47 1p6t n THR 84 Ca 0.09 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1p6t n THR 84 Cb 0.53 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 1p6t n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p6t n ALA 86 N 0.00 -0.02 -1.62 0.00 0.00 -1.26 -4.73 120.51 112.89 1p6t n ALA 86 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1p6t n ALA 86 Cb 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.47 0.63 -0.01 0.00 0.00 -1.26 -5.03 120.51 113.38 1p6t n ALA 87 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 1p6t n ALA 87 Cb 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 19.45 19.15 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 1.76 -0.21 0.00 0.00 -1.96 0.30 119.26 119.77 1p6t h ALA 89 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1p6t h ALA 89 Cb 0.40 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1p6t h ALA 89 CO 0.00 0.05 -0.28 -0.91 0.00 0.00 0.00 179.25 178.12 1p6t h ASN 90 N 0.74 0.61 0.25 0.00 4.21 -1.81 0.23 115.58 119.81 1p6t h ASN 90 Ca 0.39 -0.50 0.00 0.00 1.21 0.00 0.00 56.30 57.40 1p6t h ASN 90 Cb 0.51 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.52 1p6t h ASN 90 CO -0.16 0.99 -0.28 0.03 -1.29 0.00 0.00 177.43 176.73 1p6t h ARG 91 N 0.25 -0.55 -0.12 0.81 -0.00 -0.32 -1.39 114.38 113.05 1p6t h ARG 91 Ca 0.03 0.04 -0.03 0.00 -0.50 0.00 0.00 59.98 59.52 1p6t h ARG 91 Cb 0.85 0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.93 1p6t h ARG 91 CO 0.07 -0.37 -0.05 -0.84 0.00 0.00 0.00 179.97 178.78 1p6t h ILE 92 N -0.57 1.11 0.73 2.04 -0.00 -0.87 -2.16 117.51 117.79 1p6t h ILE 92 Ca -0.00 -0.47 -0.03 0.00 -0.00 0.00 0.00 64.86 64.35 1p6t h ILE 92 Cb 0.53 1.08 0.00 0.00 -0.00 0.00 0.00 36.82 38.43 1p6t h ILE 92 CO -0.07 0.15 -0.41 -0.08 -0.00 0.00 0.00 178.15 177.74 1p6t h GLU 93 N 0.18 -1.01 -0.37 0.16 4.22 -0.28 0.92 114.58 118.41 1p6t h GLU 93 Ca 0.04 0.07 0.11 0.00 0.08 0.00 0.00 59.36 59.66 1p6t h GLU 93 Cb 0.21 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1p6t h GLU 93 CO 0.01 -0.67 0.38 0.87 -2.18 0.00 0.00 179.01 177.41 1p6t h LYS 94 N -1.05 0.00 0.00 1.92 6.56 -0.79 0.25 116.57 123.47 1p6t h LYS 94 Ca -0.10 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.49 1p6t h LYS 94 Cb 0.82 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.48 1p6t h LYS 94 CO 0.13 0.00 0.00 0.54 -2.06 0.00 0.00 179.45 178.06 1p6t n ARG 95 N -3.80 0.00 -0.33 3.15 5.12 -0.85 -4.27 116.66 115.67 1p6t n ARG 95 Ca 0.06 0.47 0.21 0.00 -1.93 0.00 0.00 57.85 56.66 1p6t n ARG 95 Cb 0.55 -1.17 0.47 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 0.52 -0.49 0.55 3.38 0.42 -1.69 115.31 118.00 1p6t h LEU 96 Ca 0.00 0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.24 1p6t h LEU 96 Cb 0.00 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 1p6t h LEU 96 CO 0.00 0.09 0.15 -3.20 0.09 0.00 0.00 178.44 175.57 1p6t n ASN 97 N -4.70 0.07 -2.75 -0.43 2.85 0.76 -3.03 115.26 108.02 1p6t n ASN 97 Ca 0.26 0.82 -0.07 0.00 -0.11 0.00 0.00 54.58 55.48 1p6t n ASN 97 Cb 0.84 -0.35 0.04 0.00 1.24 0.00 0.00 39.78 41.55 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 -4.31 0.67 0.07 1.20 -0.00 -0.64 -4.40 118.16 110.75 1p6t n LYS 98 Ca 0.15 -1.74 -0.03 0.00 -0.00 0.00 0.00 58.31 56.70 1p6t n LYS 98 Cb 0.51 -1.38 -0.01 0.00 -0.00 0.00 0.00 35.03 34.15 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 3.40 0.00 0.00 0.58 1.08 -1.45 -3.49 117.51 117.64 1p6t h ILE 99 Ca -0.10 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1p6t h ILE 99 Cb 1.06 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1p6t h ILE 99 CO 0.22 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 177.06 1p6t n GLU 100 N -2.60 0.00 -1.13 2.37 -0.58 -1.26 -4.97 120.64 112.46 1p6t n GLU 100 Ca -0.02 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.49 1p6t n GLU 100 Cb 0.07 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.83 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p6t n GLY 101 N 0.92 3.52 3.39 0.62 0.00 -1.16 -4.41 105.19 108.07 1p6t n GLY 101 Ca 0.00 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 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 1.43 4.16 -0.01 1.61 1.01 -1.26 -0.53 120.40 126.80 1p6t s VAL 102 Ca 0.68 -0.47 -0.25 0.00 0.00 0.00 0.00 61.98 61.95 1p6t s VAL 102 Cb 0.26 -3.06 -0.19 0.00 0.00 0.00 0.00 36.38 33.39 1p6t s VAL 102 CO -0.03 0.18 1.25 0.00 0.00 0.00 0.00 175.10 176.50 1p6t h ALA 103 N 8.25 0.05 -2.79 5.51 0.00 -0.64 -3.42 119.26 126.23 1p6t h ALA 103 Ca -0.34 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 1p6t h ALA 103 Cb 1.15 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 1p6t h ALA 103 CO 0.60 -0.14 -0.14 -0.80 0.00 0.00 0.00 179.25 178.77 1p6t s ASN 104 N -5.86 -0.09 -0.47 0.00 0.01 -0.75 -4.46 114.94 103.32 1p6t s ASN 104 Ca -0.16 -0.81 0.06 0.00 -0.71 0.00 0.00 52.86 51.25 1p6t s ASN 104 Cb 0.02 0.54 0.30 0.00 0.41 0.00 0.00 41.25 42.53 1p6t s ASN 104 CO 0.70 -1.05 1.06 0.00 -1.51 0.00 0.00 177.10 176.30 1p6t n ALA 105 N -0.33 -0.90 -1.82 0.60 0.00 -1.26 -0.49 120.51 116.31 1p6t n ALA 105 Ca -0.05 -1.47 -0.41 0.00 0.00 0.00 0.00 53.44 51.51 1p6t n ALA 105 Cb 0.62 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 0.34 4.48 0.05 0.00 0.04 -1.10 -4.58 135.00 134.24 1p6t s PRO 106 Ca 0.25 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.30 1p6t s PRO 106 Cb 0.28 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 1p6t s PRO 106 CO -0.10 -0.03 0.13 0.14 0.04 0.00 0.00 177.00 177.18 1p6t s VAL 107 N -0.89 4.89 -0.14 -0.36 -7.23 -1.26 -1.11 120.40 114.30 1p6t s VAL 107 Ca 0.48 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 1p6t s VAL 107 Cb -0.36 -3.34 -0.01 0.00 0.56 0.00 0.00 36.38 33.24 1p6t s VAL 107 CO 0.45 0.19 -0.15 0.20 -0.31 0.00 0.00 175.10 175.48 1p6t s ASN 108 N -2.25 3.72 0.05 4.85 -0.87 0.31 -4.99 114.94 115.77 1p6t s ASN 108 Ca 0.29 -0.43 0.25 0.00 -1.57 0.00 0.00 52.86 51.40 1p6t s ASN 108 Cb -0.12 -1.57 0.50 0.00 -0.02 0.00 0.00 41.25 40.04 1p6t s ASN 108 CO 0.22 0.12 1.42 0.33 -2.57 0.00 0.00 177.10 176.61 1p6t n PHE 109 N 3.85 0.23 0.01 2.20 7.35 -1.26 -2.31 117.46 127.53 1p6t n PHE 109 Ca -0.19 0.07 -0.21 0.00 -0.76 0.00 0.00 57.45 56.36 1p6t n PHE 109 Cb 0.52 -0.44 -0.14 0.00 0.35 0.00 0.00 39.48 39.77 1p6t n PHE 109 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1p6t h ALA 110 N 2.80 0.43 0.00 3.13 0.00 -1.96 -3.39 119.26 120.26 1p6t h ALA 110 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.54 1p6t h ALA 110 Cb 0.60 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1p6t h ALA 110 CO 0.00 1.30 -1.37 1.28 0.00 0.00 0.00 179.25 180.47 1p6t n LEU 111 N -3.47 0.58 -3.80 0.00 4.77 -1.26 -4.99 117.00 108.85 1p6t n LEU 111 Ca -0.30 -0.26 -0.24 0.00 -0.03 0.00 0.00 56.01 55.18 1p6t n LEU 111 Cb 1.05 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 42.15 1p6t n LEU 111 CO 0.44 0.13 -0.06 -0.62 -1.33 0.00 0.00 177.39 175.96 1p6t n GLU 112 N -1.83 -4.76 -4.37 3.23 1.02 -0.98 -4.89 120.64 108.06 1p6t n GLU 112 Ca 0.01 0.58 -0.24 0.00 -0.02 0.00 0.00 57.16 57.49 1p6t n GLU 112 Cb 0.43 -5.14 -0.09 0.00 -0.02 0.00 0.00 31.44 26.62 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 -3.63 2.89 -0.11 2.62 -4.23 -1.18 -0.72 115.64 111.28 1p6t s THR 113 Ca 0.16 -2.11 0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1p6t s THR 113 Cb -0.08 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.12 1p6t s THR 113 CO 0.83 -0.34 -0.21 0.54 -0.54 0.00 0.00 174.62 174.90 1p6t s VAL 114 N -2.44 2.36 -0.21 2.29 0.11 0.68 -0.53 120.40 122.66 1p6t s VAL 114 Ca 0.32 -0.92 -0.26 0.00 -2.93 0.00 0.00 61.98 58.19 1p6t s VAL 114 Cb -0.04 -1.93 -0.00 0.00 -1.53 0.00 0.00 36.38 32.88 1p6t s VAL 114 CO 0.18 0.55 0.90 -0.89 -3.33 0.00 0.00 175.10 172.51 1p6t s THR 115 N 0.31 4.80 -0.29 5.04 2.01 -0.26 -0.82 115.64 126.42 1p6t s THR 115 Ca -0.16 1.75 -0.08 0.00 0.31 0.00 0.00 61.69 63.51 1p6t s THR 115 Cb -0.17 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 1p6t s THR 115 CO 0.08 -0.07 0.10 0.54 -0.69 0.00 0.00 174.62 174.58 1p6t s VAL 116 N 2.69 4.27 -0.63 3.82 0.11 0.89 -2.71 120.40 128.85 1p6t s VAL 116 Ca 0.39 -0.45 -0.07 0.00 -2.93 0.00 0.00 61.98 58.93 1p6t s VAL 116 Cb -0.16 -3.13 0.16 0.00 -1.53 0.00 0.00 36.38 31.73 1p6t s VAL 116 CO 0.09 0.16 0.49 -0.70 -3.33 0.00 0.00 175.10 171.81 1p6t s GLU 117 N 1.57 2.77 0.25 1.54 2.12 0.35 -0.58 118.70 126.74 1p6t s GLU 117 Ca 0.04 -2.33 -0.07 0.00 0.36 0.00 0.00 54.97 52.98 1p6t s GLU 117 Cb -0.16 -3.94 -0.01 0.00 0.26 0.00 0.00 34.13 30.28 1p6t s GLU 117 CO 0.04 -1.20 0.37 1.52 -0.54 0.00 0.00 175.26 175.44 1p6t s TYR 118 N 0.34 0.77 -0.53 5.30 1.13 -0.33 0.08 117.35 124.10 1p6t s TYR 118 Ca 0.14 -1.05 -0.17 0.00 -1.41 0.00 0.00 57.07 54.58 1p6t s TYR 118 Cb -0.19 -0.11 0.11 0.00 -1.10 0.00 0.00 41.96 40.67 1p6t s TYR 118 CO -0.04 -0.91 0.53 1.21 -2.51 0.00 0.00 175.55 173.82 1p6t s ASN 119 N -3.11 6.18 0.00 -0.18 3.84 0.30 -0.71 114.94 121.26 1p6t s ASN 119 Ca 0.29 -1.58 0.00 0.00 0.21 0.00 0.00 52.86 51.79 1p6t s ASN 119 Cb 0.02 -2.23 0.00 0.00 -0.55 0.00 0.00 41.25 38.49 1p6t s ASN 119 CO 0.12 -0.87 0.66 -0.81 -2.79 0.00 0.00 177.10 173.42 1p6t n PRO 120 N 5.50 0.82 -0.12 0.43 -0.04 -1.26 -1.74 135.00 138.60 1p6t n PRO 120 Ca -0.12 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.18 1p6t n PRO 120 Cb 0.41 -1.15 -0.12 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.28 0.67 -0.05 0.54 4.76 -1.26 -4.67 118.16 117.88 1p6t n LYS 121 Ca 0.00 0.11 -0.14 0.00 -2.87 0.00 0.00 58.31 55.41 1p6t n LYS 121 Cb 0.08 -1.48 -0.12 0.00 -1.84 0.00 0.00 35.03 31.67 1p6t n LYS 121 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1p6t h GLU 122 N 0.00 -0.00 0.00 1.97 4.22 -1.72 -3.47 114.58 115.58 1p6t h GLU 122 Ca -0.53 0.00 -0.38 0.00 0.08 0.00 0.00 59.36 58.53 1p6t h GLU 122 Cb 1.90 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 31.08 1p6t h GLU 122 CO -0.06 0.80 -0.28 0.00 -2.18 0.00 0.00 179.01 177.29 1p6t n ALA 123 N -2.51 0.27 -3.22 2.92 0.00 -0.86 -4.99 120.51 112.12 1p6t n ALA 123 Ca -0.09 -1.32 -0.11 0.00 0.00 0.00 0.00 53.44 51.92 1p6t n ALA 123 Cb 0.39 0.75 -0.03 0.00 0.00 0.00 0.00 19.45 20.56 1p6t n ALA 123 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1p6t s SER 124 N -2.61 -0.35 0.36 0.00 0.01 -1.26 -4.23 113.70 105.63 1p6t s SER 124 Ca 0.02 -0.26 0.14 0.00 1.31 0.00 0.00 55.95 57.17 1p6t s SER 124 Cb 0.00 0.54 1.00 0.00 0.21 0.00 0.00 66.02 67.78 1p6t s SER 124 CO 0.02 -0.95 1.75 0.58 0.41 0.00 0.00 173.24 175.05 1p6t h VAL 125 N 2.20 0.52 -0.76 3.43 2.07 -1.99 0.14 116.25 121.86 1p6t h VAL 125 Ca -0.32 -0.17 0.15 0.00 0.82 0.00 0.00 66.70 67.18 1p6t h VAL 125 Cb 1.27 -0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.94 1p6t h VAL 125 CO 0.41 0.09 0.28 0.28 0.02 0.00 0.00 177.57 178.65 1p6t h SER 126 N 0.48 0.23 -0.02 0.57 0.02 -1.98 0.13 113.55 112.97 1p6t h SER 126 Ca 0.62 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.70 1p6t h SER 126 Cb 1.39 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 64.03 1p6t h SER 126 CO -0.39 0.07 -0.04 -0.78 -1.14 0.00 0.00 176.83 174.55 1p6t h ASP 127 N 0.40 -0.11 -0.63 3.07 3.58 -1.14 -0.01 116.42 121.59 1p6t h ASP 127 Ca 0.42 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.89 1p6t h ASP 127 Cb 0.67 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.74 1p6t h ASP 127 CO -0.43 -0.05 0.36 -0.07 -2.88 0.00 0.00 179.24 176.17 1p6t h LEU 128 N -0.05 0.77 -0.19 2.28 3.38 -1.31 0.16 115.31 120.34 1p6t h LEU 128 Ca 0.02 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1p6t h LEU 128 Cb 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1p6t h LEU 128 CO -0.05 0.62 0.10 0.11 0.09 0.00 0.00 178.44 179.30 1p6t h LYS 129 N 0.85 0.21 -0.47 1.13 1.57 -0.57 -0.07 116.57 119.21 1p6t h LYS 129 Ca 0.22 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1p6t h LYS 129 Cb 0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1p6t h LYS 129 CO -0.04 0.14 0.24 1.49 -0.57 0.00 0.00 179.45 180.70 1p6t h GLU 130 N 0.21 0.45 0.39 3.15 4.22 0.05 -0.04 114.58 123.01 1p6t h GLU 130 Ca 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.48 1p6t h GLU 130 Cb 0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1p6t h GLU 130 CO -0.05 0.30 -0.31 0.00 -2.18 0.00 0.00 179.01 176.78 1p6t h ALA 131 N 1.25 -0.70 -0.20 2.92 0.00 -0.40 -0.03 119.26 122.10 1p6t h ALA 131 Ca 0.21 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1p6t h ALA 131 Cb 0.12 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1p6t h ALA 131 CO -0.15 -0.92 -0.11 -0.24 0.00 0.00 0.00 179.25 177.84 1p6t h VAL 132 N -0.70 1.19 -0.36 0.00 3.04 -0.85 -0.01 116.25 118.56 1p6t h VAL 132 Ca -0.03 -0.81 0.06 0.00 -1.01 0.00 0.00 66.70 64.90 1p6t h VAL 132 Cb 0.60 1.16 -0.05 0.00 -2.01 0.00 0.00 31.29 30.99 1p6t h VAL 132 CO -0.01 0.26 0.04 0.44 -1.01 0.00 0.00 177.57 177.29 1p6t h ASP 133 N 0.30 -0.05 -0.09 3.17 3.32 -0.42 -0.89 116.42 121.76 1p6t h ASP 133 Ca 0.06 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1p6t h ASP 133 Cb 0.38 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1p6t h ASP 133 CO 0.02 0.01 0.03 0.50 -1.72 0.00 0.00 179.24 178.08 1p6t h LYS 134 N 0.15 0.20 0.00 3.56 3.64 0.74 0.23 116.57 125.09 1p6t h LYS 134 Ca 0.17 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1p6t h LYS 134 Cb 0.22 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1p6t h LYS 134 CO -0.25 0.19 0.00 -0.07 -2.27 0.00 0.00 179.45 177.05 1p6t h LEU 135 N 0.20 0.00 0.00 5.20 -0.00 0.15 -3.47 115.31 117.39 1p6t h LEU 135 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1p6t h LEU 135 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 1p6t h LEU 135 CO -0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.05 1p6t n GLY 136 N -0.07 1.58 3.29 0.83 0.00 0.81 -5.07 105.19 106.57 1p6t n GLY 136 Ca 0.01 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 1.47 0.05 1.61 2.02 -0.77 -5.00 117.35 114.74 1p6t s TYR 137 Ca 0.00 -1.52 0.07 0.00 -0.37 0.00 0.00 57.07 55.25 1p6t s TYR 137 Cb 0.00 -0.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.96 1p6t s TYR 137 CO 0.00 -0.84 -0.20 -1.59 -1.57 0.00 0.00 175.55 171.35 1p6t s LYS 138 N -3.62 1.29 -0.00 -0.62 0.00 -0.52 -2.89 119.74 113.38 1p6t s LYS 138 Ca 0.39 -0.96 -0.03 0.00 0.00 0.00 0.00 55.97 55.37 1p6t s LYS 138 Cb 0.03 -1.41 -0.04 0.00 0.00 0.00 0.00 37.83 36.41 1p6t s LYS 138 CO 0.22 0.35 0.20 -0.51 0.00 0.00 0.00 175.35 175.61 1p6t s LEU 139 N -1.30 4.37 0.20 2.77 1.43 -1.26 -0.86 118.68 124.03 1p6t s LEU 139 Ca 0.06 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 1p6t s LEU 139 Cb -0.09 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 1p6t s LEU 139 CO 0.02 0.26 -0.04 -0.54 0.23 0.00 0.00 176.35 176.28 1p6t s LYS 140 N -1.93 1.24 -0.10 1.70 -0.14 0.12 -4.96 119.74 115.68 1p6t s LYS 140 Ca 0.28 -1.60 -0.02 0.00 -1.36 0.00 0.00 55.97 53.27 1p6t s LYS 140 Cb -0.13 -0.64 -0.03 0.00 -1.68 0.00 0.00 37.83 35.35 1p6t s LYS 140 CO 0.19 -0.03 -0.02 -0.51 -0.76 0.00 0.00 175.35 174.21 1p6t s LEU 141 N -3.26 3.41 -0.76 3.17 1.02 -1.26 0.19 118.68 121.19 1p6t s LEU 141 Ca 0.24 0.05 -0.24 0.00 0.02 0.00 0.00 54.13 54.20 1p6t s LEU 141 Cb 0.04 -1.78 0.05 0.00 0.02 0.00 0.00 46.19 44.53 1p6t s LEU 141 CO 0.06 0.33 1.18 -0.54 0.02 0.00 0.00 176.35 177.40 1p6t s LYS 142 N -0.61 3.23 0.00 1.70 1.02 -1.09 -3.87 119.74 120.12 1p6t s LYS 142 Ca 0.10 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.44 1p6t s LYS 142 Cb -0.12 -4.38 0.00 0.00 -0.52 0.00 0.00 37.83 32.81 1p6t s LYS 142 CO 0.02 -2.01 0.00 0.41 -0.92 0.00 0.00 175.35 172.85 1p6t n GLY 143 N 5.54 1.60 0.42 -3.33 0.00 -1.26 -4.63 105.19 103.53 1p6t n GLY 143 Ca 0.05 -0.11 0.26 0.00 0.00 0.00 0.00 46.02 46.22 1p6t n GLY 143 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1p6t h GLU 144 N 0.00 0.30 -0.68 1.61 4.57 -1.93 0.70 114.58 119.15 1p6t h GLU 144 Ca 0.00 -0.02 0.20 0.00 -1.18 0.00 0.00 59.36 58.36 1p6t h GLU 144 Cb 0.00 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 1p6t h GLU 144 CO 0.00 0.20 0.70 0.37 -1.18 0.00 0.00 179.01 179.10 1p6t h GLN 145 N 0.31 0.00 -0.02 1.92 -0.00 -1.82 0.48 115.11 115.97 1p6t h GLN 145 Ca 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.29 1p6t h GLN 145 Cb 1.75 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.23 1p6t h GLN 145 CO -0.31 0.00 -0.25 -3.47 0.00 0.00 0.00 178.83 174.81 1p6t n ASP 146 N -3.67 2.42 -0.79 -0.69 2.03 0.24 -4.46 116.55 111.63 1p6t n ASP 146 Ca 0.14 -1.71 -0.01 0.00 0.52 0.00 0.00 54.79 53.73 1p6t n ASP 146 Cb 0.94 0.26 -0.01 0.00 -0.72 0.00 0.00 41.12 41.58 1p6t n ASP 146 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1p6t n SER 147 N 0.58 -0.06 -0.22 1.67 7.64 0.16 -5.00 113.62 118.38 1p6t n SER 147 Ca 0.11 -1.66 0.15 0.00 1.01 0.00 0.00 58.87 58.48 1p6t n SER 147 Cb 0.51 -0.03 0.29 0.00 -1.01 0.00 0.00 64.21 63.96 1p6t n SER 147 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1p6t n ILE 148 N 0.09 -0.28 -3.78 0.44 -5.35 0.14 -4.48 119.36 106.13 1p6t n ILE 148 Ca -0.06 1.42 -0.09 0.00 -0.27 0.00 0.00 62.75 63.75 1p6t n ILE 148 Cb 0.71 -2.18 -0.04 0.00 -1.74 0.00 0.00 39.64 36.39 1p6t n ILE 148 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1p6t s GLU 149 N -5.31 1.39 0.05 6.28 2.12 -1.26 -5.08 118.70 116.88 1p6t s GLU 149 Ca -0.07 -0.93 0.00 0.00 0.36 0.00 0.00 54.97 54.33 1p6t s GLU 149 Cb 0.21 0.51 0.00 0.00 0.26 0.00 0.00 34.13 35.11 1p6t s GLU 149 CO 0.52 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 1p6t n GLY 150 N -0.34 -0.02 0.00 -1.50 0.00 -1.26 -5.14 105.19 96.93 1p6t n GLY 150 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19