#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6t n LEU 2 N 0.00 0.00 0.00 -0.89 -0.00 -1.26 -5.03 117.00 109.82 1p6t n LEU 2 Ca 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 56.01 55.51 1p6t n LEU 2 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 1p6t n LEU 2 CO 0.00 -0.75 0.00 -1.20 -0.00 0.00 0.00 177.39 175.44 1p6t n SER 3 N -3.17 -0.29 -3.43 1.45 7.64 -1.26 -5.01 113.62 109.54 1p6t n SER 3 Ca 0.05 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.66 1p6t n SER 3 Cb 0.18 0.75 -0.10 0.00 -1.01 0.00 0.00 64.21 64.03 1p6t n SER 3 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1p6t s GLU 4 N -4.69 0.92 0.06 1.43 2.12 -1.26 -5.11 118.70 112.18 1p6t s GLU 4 Ca 0.00 -2.04 -0.37 0.00 0.36 0.00 0.00 54.97 52.93 1p6t s GLU 4 Cb 0.00 -1.51 -0.16 0.00 0.26 0.00 0.00 34.13 32.72 1p6t s GLU 4 CO 0.00 -1.35 1.40 1.04 -0.54 0.00 0.00 175.26 175.81 1p6t n GLN 5 N 3.02 1.25 -2.76 4.30 1.13 -1.26 -4.58 117.38 118.48 1p6t n GLN 5 Ca 0.26 0.45 -0.26 0.00 -1.94 0.00 0.00 57.00 55.52 1p6t n GLN 5 Cb 0.45 -2.11 0.01 0.00 0.11 0.00 0.00 30.24 28.70 1p6t n GLN 5 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1p6t s LYS 6 N 0.82 3.24 -0.05 -1.09 -2.85 0.30 -4.88 119.74 115.24 1p6t s LYS 6 Ca 0.85 -0.10 -0.00 0.00 -1.00 0.00 0.00 55.97 55.72 1p6t s LYS 6 Cb -0.94 -2.43 -0.03 0.00 -2.06 0.00 0.00 37.83 32.37 1p6t s LYS 6 CO 0.48 -0.31 -0.01 -1.21 0.10 0.00 0.00 175.35 174.40 1p6t s GLU 7 N -4.71 2.87 -0.09 1.78 8.01 -1.26 -0.81 118.70 124.48 1p6t s GLU 7 Ca 0.48 -0.51 0.01 0.00 0.01 0.00 0.00 54.97 54.96 1p6t s GLU 7 Cb -0.10 -2.71 0.02 0.00 -4.31 0.00 0.00 34.13 27.02 1p6t s GLU 7 CO 0.42 0.67 -0.10 -1.50 0.01 0.00 0.00 175.26 174.75 1p6t s ILE 8 N -0.96 1.13 -0.26 -1.63 1.10 0.41 -4.91 121.20 116.08 1p6t s ILE 8 Ca 0.16 -0.41 0.03 0.00 -0.51 0.00 0.00 60.65 59.92 1p6t s ILE 8 Cb -0.11 -1.08 0.06 0.00 0.15 0.00 0.00 42.46 41.48 1p6t s ILE 8 CO 0.05 0.37 -0.10 0.00 -2.11 0.00 0.00 174.94 173.16 1p6t s ALA 9 N 1.19 2.56 0.09 1.50 0.00 -0.64 -0.96 121.76 125.50 1p6t s ALA 9 Ca -0.04 -1.80 0.02 0.00 0.00 0.00 0.00 51.96 50.14 1p6t s ALA 9 Cb -0.14 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1p6t s ALA 9 CO -0.03 -1.23 -0.07 -1.64 0.00 0.00 0.00 175.76 172.79 1p6t s MET 10 N 1.10 0.77 -0.13 0.00 -1.94 0.01 -3.53 119.30 115.59 1p6t s MET 10 Ca -0.08 -1.18 -0.17 0.00 -1.71 0.00 0.00 55.69 52.55 1p6t s MET 10 Cb -0.20 -0.28 -0.04 0.00 2.01 0.00 0.00 34.83 36.31 1p6t s MET 10 CO -0.05 0.01 0.42 -1.14 -0.01 0.00 0.00 175.02 174.25 1p6t s GLN 11 N -3.17 4.32 0.03 2.03 0.74 -1.26 -0.08 119.66 122.26 1p6t s GLN 11 Ca 0.06 0.34 0.09 0.00 0.05 0.00 0.00 55.36 55.90 1p6t s GLN 11 Cb 0.01 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 1p6t s GLN 11 CO -0.03 0.18 -0.25 0.54 -0.55 0.00 0.00 175.29 175.18 1p6t s VAL 12 N 0.58 2.21 0.41 1.34 0.11 -1.21 -0.94 120.40 122.90 1p6t s VAL 12 Ca 0.23 -1.31 0.07 0.00 -2.93 0.00 0.00 61.98 58.04 1p6t s VAL 12 Cb -0.14 -1.85 -0.05 0.00 -1.53 0.00 0.00 36.38 32.81 1p6t s VAL 12 CO 0.08 0.40 0.20 -0.44 -3.33 0.00 0.00 175.10 172.01 1p6t s SER 13 N -1.14 4.51 0.00 3.54 0.01 0.32 -4.68 113.70 116.26 1p6t s SER 13 Ca 0.12 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.36 1p6t s SER 13 Cb -0.10 -0.51 0.00 0.00 0.21 0.00 0.00 66.02 65.62 1p6t s SER 13 CO 0.02 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.75 1p6t n GLY 14 N -1.26 1.21 3.70 3.44 0.00 -1.26 -3.27 105.19 107.75 1p6t n GLY 14 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.56 4.26 0.30 1.61 -1.94 -1.26 -4.88 119.30 116.83 1p6t s MET 15 Ca 0.00 2.14 0.24 0.00 -1.71 0.00 0.00 55.69 56.36 1p6t s MET 15 Cb 0.00 -3.47 1.05 0.00 2.01 0.00 0.00 34.83 34.42 1p6t s MET 15 CO 0.00 -0.60 1.74 1.15 -0.01 0.00 0.00 175.02 177.30 1p6t h THR 16 N 4.66 0.00 -3.35 2.05 2.02 -1.96 -3.47 112.91 112.86 1p6t h THR 16 Ca -0.41 -0.23 -0.14 0.00 0.77 0.00 0.00 66.41 66.40 1p6t h THR 16 Cb 1.19 0.96 0.07 0.00 -1.74 0.00 0.00 68.15 68.63 1p6t h THR 16 CO 0.90 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 176.49 1p6t n ALA 18 N -2.62 0.00 -0.17 0.00 0.00 -1.26 -4.95 120.51 111.50 1p6t n ALA 18 Ca -0.08 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.52 1p6t n ALA 18 Cb 0.56 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.52 1p6t n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p6t h ALA 19 N 2.00 2.16 0.52 0.00 0.00 -1.98 -1.28 119.26 120.68 1p6t h ALA 19 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1p6t h ALA 19 Cb 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1p6t h ALA 19 CO 0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 179.25 178.62 1p6t h ALA 21 N -0.56 -0.16 -0.98 0.00 0.00 -1.82 -0.27 119.26 115.47 1p6t h ALA 21 Ca -0.07 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1p6t h ALA 21 Cb 0.61 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1p6t h ALA 21 CO 0.12 -0.67 0.63 0.00 0.00 0.00 0.00 179.25 179.34 1p6t h ALA 22 N 0.73 1.32 -0.55 0.00 0.00 -1.17 -1.15 119.26 118.44 1p6t h ALA 22 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1p6t h ALA 22 Cb 0.41 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1p6t h ALA 22 CO -0.29 0.48 0.35 0.00 0.00 0.00 0.00 179.25 179.79 1p6t h ARG 23 N 1.20 0.73 0.87 0.00 2.47 0.55 0.96 114.38 121.16 1p6t h ARG 23 Ca 0.40 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 59.03 1p6t h ARG 23 Cb 0.07 -0.16 0.01 0.00 -1.65 0.00 0.00 29.97 28.24 1p6t h ARG 23 CO -0.14 0.50 -0.44 0.82 0.56 0.00 0.00 179.97 181.26 1p6t h ILE 24 N 0.74 0.10 -0.83 2.04 2.04 -0.17 0.18 117.51 121.62 1p6t h ILE 24 Ca 0.20 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.10 1p6t h ILE 24 Cb -0.06 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.06 1p6t h ILE 24 CO -0.04 0.00 0.52 -0.33 0.00 0.00 0.00 178.15 178.30 1p6t h GLU 25 N -1.20 0.97 -0.43 2.37 4.39 -1.03 0.28 114.58 119.93 1p6t h GLU 25 Ca -0.12 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 1p6t h GLU 25 Cb 0.93 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1p6t h GLU 25 CO 0.18 0.64 0.19 -0.22 -1.16 0.00 0.00 179.01 178.64 1p6t h LYS 26 N 1.00 0.63 -0.82 2.33 3.64 -0.77 0.11 116.57 122.68 1p6t h LYS 26 Ca 0.34 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1p6t h LYS 26 Cb 0.06 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1p6t h LYS 26 CO -0.13 0.56 0.45 0.78 -2.27 0.00 0.00 179.45 178.84 1p6t h GLY 27 N 0.55 1.23 1.28 5.01 0.00 0.81 -2.74 103.07 109.19 1p6t h GLY 27 Ca 0.14 -0.55 -0.16 0.00 0.00 0.00 0.00 47.33 46.76 1p6t h GLY 27 CO -0.02 0.53 -0.44 1.41 0.00 0.00 0.00 176.54 178.02 1p6t h LEU 28 N 1.14 0.84 -1.67 3.11 -0.00 -0.29 -2.46 115.31 115.98 1p6t h LEU 28 Ca 0.29 -0.40 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 1p6t h LEU 28 Cb 0.03 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.45 1p6t h LEU 28 CO -0.05 1.16 0.23 0.11 -0.00 0.00 0.00 178.44 179.90 1p6t h LYS 29 N 0.63 0.00 0.00 1.13 6.56 -0.47 0.33 116.57 124.74 1p6t h LYS 29 Ca 0.04 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1p6t h LYS 29 Cb 1.01 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.67 1p6t h LYS 29 CO 0.10 0.00 -0.00 -0.09 -2.06 0.00 0.00 179.45 177.40 1p6t h ARG 30 N 0.00 0.00 -6.98 3.15 9.65 -1.31 -3.44 114.38 115.45 1p6t h ARG 30 Ca 0.00 0.00 -0.48 0.00 -1.10 0.00 0.00 59.98 58.40 1p6t h ARG 30 Cb 0.46 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.06 1p6t h ARG 30 CO 0.00 0.00 0.41 -1.64 2.80 0.00 0.00 179.97 181.54 1p6t s MET 31 N -5.03 4.12 0.08 0.20 -1.94 0.10 -4.99 119.30 111.84 1p6t s MET 31 Ca -0.05 1.48 -0.16 0.00 -1.71 0.00 0.00 55.69 55.25 1p6t s MET 31 Cb 0.17 -2.47 -0.10 0.00 2.01 0.00 0.00 34.83 34.44 1p6t s MET 31 CO 0.66 -0.18 1.40 -1.00 -0.01 0.00 0.00 175.02 175.89 1p6t h PRO 32 N 2.36 0.61 -0.38 2.03 0.13 -1.88 -3.26 132.00 131.61 1p6t h PRO 32 Ca -0.48 -0.32 -0.09 0.00 -0.87 0.00 0.00 66.00 64.24 1p6t h PRO 32 Cb 1.21 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1p6t h PRO 32 CO 0.62 0.92 -0.12 0.78 -0.23 0.00 0.00 178.00 179.96 1p6t h GLY 33 N 0.32 0.73 -7.26 1.56 0.00 -1.89 -3.41 103.07 93.11 1p6t h GLY 33 Ca 0.04 -0.54 -0.37 0.00 0.00 0.00 0.00 47.33 46.46 1p6t h GLY 33 CO 0.06 0.50 1.44 -0.62 0.00 0.00 0.00 176.54 177.92 1p6t n VAL 34 N -4.17 -0.03 0.06 4.60 0.31 -1.23 -2.78 118.33 115.09 1p6t n VAL 34 Ca 0.01 -0.45 -0.22 0.00 -0.01 0.00 0.00 64.34 63.67 1p6t n VAL 34 Cb 0.36 -1.46 -0.15 0.00 -0.91 0.00 0.00 33.84 31.68 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 1.12 -3.74 2.52 2.02 -0.77 -3.47 112.91 118.26 1p6t h THR 35 Ca -0.09 -2.50 -0.11 0.00 0.77 0.00 0.00 66.41 64.48 1p6t h THR 35 Cb 1.21 2.87 -0.16 0.00 -1.74 0.00 0.00 68.15 70.32 1p6t h THR 35 CO 1.28 0.77 -0.44 -0.62 0.37 0.00 0.00 175.52 176.89 1p6t s ASP 36 N -7.19 0.13 -0.19 4.18 -1.08 -0.35 -5.03 116.67 107.13 1p6t s ASP 36 Ca -0.16 -0.54 -0.05 0.00 -0.52 0.00 0.00 52.55 51.29 1p6t s ASP 36 Cb 0.04 0.28 0.10 0.00 -1.46 0.00 0.00 42.92 41.88 1p6t s ASP 36 CO 0.83 -0.60 0.33 0.00 0.52 0.00 0.00 175.17 176.25 1p6t s ALA 37 N -3.06 -0.83 0.13 3.66 0.00 -1.26 -0.45 121.76 119.95 1p6t s ALA 37 Ca -0.01 0.97 0.03 0.00 0.00 0.00 0.00 51.96 52.94 1p6t s ALA 37 Cb 0.01 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 1p6t s ALA 37 CO -0.07 -0.95 -0.07 -0.80 0.00 0.00 0.00 175.76 173.88 1p6t s ASN 38 N 2.49 1.42 -0.26 0.00 0.01 0.20 -4.89 114.94 113.91 1p6t s ASN 38 Ca 0.05 -1.04 -0.01 0.00 -0.71 0.00 0.00 52.86 51.15 1p6t s ASN 38 Cb -0.14 0.05 0.13 0.00 0.41 0.00 0.00 41.25 41.71 1p6t s ASN 38 CO -0.12 -0.43 0.32 0.54 -1.51 0.00 0.00 177.10 175.90 1p6t s VAL 39 N -3.51 -0.48 -1.46 1.60 0.11 -1.26 -0.31 120.40 115.09 1p6t s VAL 39 Ca 0.16 -0.29 -0.13 0.00 -2.93 0.00 0.00 61.98 58.79 1p6t s VAL 39 Cb 0.04 -0.89 0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1p6t s VAL 39 CO -0.01 -0.31 2.29 -3.20 -3.33 0.00 0.00 175.10 170.55 1p6t n ASN 40 N 5.33 4.83 0.06 3.54 5.15 0.11 -4.72 115.26 129.56 1p6t n ASN 40 Ca -0.03 -2.84 0.20 0.00 -0.60 0.00 0.00 54.58 51.31 1p6t n ASN 40 Cb 0.48 -1.61 0.74 0.00 -0.53 0.00 0.00 39.78 38.86 1p6t n ASN 40 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 1p6t h LEU 41 N 9.18 0.00 -1.40 1.20 8.10 -1.92 0.22 115.31 130.70 1p6t h LEU 41 Ca 0.59 0.00 0.11 0.00 0.11 0.00 0.00 57.88 58.70 1p6t h LEU 41 Cb 0.58 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.74 1p6t h LEU 41 CO 1.83 0.00 0.51 0.00 -4.11 0.00 0.00 178.44 176.68 1p6t h ALA 42 N 1.64 1.85 -0.11 0.17 0.00 -1.95 -1.58 119.26 119.27 1p6t h ALA 42 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1p6t h ALA 42 Cb 1.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1p6t h ALA 42 CO -0.00 -0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.47 1p6t n THR 43 N -4.51 1.61 -3.47 0.00 -2.24 0.55 -5.01 114.28 101.21 1p6t n THR 43 Ca 0.14 -1.66 -0.25 0.00 -2.27 0.00 0.00 64.05 60.01 1p6t n THR 43 Cb 0.38 0.06 -0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.69 -3.55 -3.90 -0.78 1.02 0.12 -4.96 120.64 107.90 1p6t n GLU 44 Ca 0.12 0.48 -0.35 0.00 -0.02 0.00 0.00 57.16 57.39 1p6t n GLU 44 Cb 0.56 -5.21 -0.14 0.00 -0.02 0.00 0.00 31.44 26.63 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 -2.99 3.24 -0.17 2.62 2.01 -0.86 -3.30 115.64 116.19 1p6t s THR 45 Ca 0.45 -0.87 -0.26 0.00 0.31 0.00 0.00 61.69 61.32 1p6t s THR 45 Cb -0.24 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 1p6t s THR 45 CO 0.55 0.19 0.86 0.54 -0.69 0.00 0.00 174.62 176.07 1p6t s VAL 46 N 1.39 4.86 -0.21 3.82 0.11 0.88 0.04 120.40 131.29 1p6t s VAL 46 Ca 0.01 1.68 0.01 0.00 -2.93 0.00 0.00 61.98 60.76 1p6t s VAL 46 Cb -0.16 -4.16 0.05 0.00 -1.53 0.00 0.00 36.38 30.57 1p6t s VAL 46 CO -0.02 0.01 -0.11 0.21 -3.33 0.00 0.00 175.10 171.85 1p6t s ASN 47 N 1.17 3.64 -0.06 3.54 2.47 0.57 -0.81 114.94 125.46 1p6t s ASN 47 Ca 0.39 -1.01 0.06 0.00 0.42 0.00 0.00 52.86 52.72 1p6t s ASN 47 Cb -0.16 -1.31 -0.01 0.00 -1.45 0.00 0.00 41.25 38.31 1p6t s ASN 47 CO 0.12 -0.15 -0.24 -0.69 -3.72 0.00 0.00 177.10 172.42 1p6t s VAL 48 N 1.33 1.99 -0.20 -5.21 1.01 -0.13 -0.63 120.40 118.56 1p6t s VAL 48 Ca -0.03 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1p6t s VAL 48 Cb -0.17 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.55 1p6t s VAL 48 CO -0.08 0.55 -0.16 -0.63 0.00 0.00 0.00 175.10 174.79 1p6t s ILE 49 N -0.06 1.94 0.20 2.22 1.01 0.40 -0.44 121.20 126.47 1p6t s ILE 49 Ca -0.06 -1.06 -0.19 0.00 0.00 0.00 0.00 60.65 59.34 1p6t s ILE 49 Cb -0.14 -1.87 0.03 0.00 0.01 0.00 0.00 42.46 40.49 1p6t s ILE 49 CO 0.04 0.34 0.56 -0.72 0.00 0.00 0.00 174.94 175.16 1p6t s TYR 50 N 1.30 -0.20 -0.01 3.97 1.13 0.01 -0.14 117.35 123.40 1p6t s TYR 50 Ca 0.01 -0.14 -0.24 0.00 -1.41 0.00 0.00 57.07 55.29 1p6t s TYR 50 Cb -0.15 0.45 -0.04 0.00 -1.10 0.00 0.00 41.96 41.12 1p6t s TYR 50 CO -0.10 -0.94 0.74 0.34 -2.51 0.00 0.00 175.55 173.08 1p6t s ASP 51 N -2.86 7.11 0.00 -0.18 -1.08 -1.12 -0.54 116.67 118.01 1p6t s ASP 51 Ca 0.08 1.33 -0.04 0.00 -0.52 0.00 0.00 52.55 53.40 1p6t s ASP 51 Cb -0.01 -2.44 -0.18 0.00 -1.46 0.00 0.00 42.92 38.82 1p6t s ASP 51 CO -0.04 -0.05 2.69 -0.81 0.52 0.00 0.00 175.17 177.48 1p6t n PRO 52 N 3.30 1.41 -0.81 4.34 -0.04 -1.26 -3.51 135.00 138.42 1p6t n PRO 52 Ca -0.02 -0.67 -0.04 0.00 -0.04 0.00 0.00 63.50 62.74 1p6t n PRO 52 Cb 0.51 -1.80 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 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 2.53 3.02 0.00 0.55 0.00 -1.26 -4.94 120.51 120.41 1p6t n ALA 53 Ca 0.29 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1p6t n ALA 53 Cb 0.65 -0.22 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 0.01 0.00 0.00 0.00 1.02 -1.23 -5.08 120.64 115.37 1p6t n GLU 54 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1p6t n GLU 54 Cb 0.63 -0.16 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 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 -1.98 0.00 0.00 2.62 -1.04 -1.25 -4.87 114.28 107.75 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 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 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 3.59 2.66 0.30 3.41 0.00 -1.26 -4.56 105.19 109.33 1p6t n GLY 56 Ca 0.00 -1.20 0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 1.32 -0.38 -0.29 2.61 5.66 -1.26 0.34 114.28 122.27 1p6t n THR 57 Ca 0.00 1.92 -0.05 0.00 -3.05 0.00 0.00 64.05 62.88 1p6t n THR 57 Cb 0.00 -2.92 0.07 0.00 -1.55 0.00 0.00 70.33 65.93 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 1.80 1.02 -0.28 1.79 0.00 -1.91 -0.14 119.26 121.54 1p6t h ALA 58 Ca 0.63 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.28 1p6t h ALA 58 Cb 1.46 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1p6t h ALA 58 CO -0.79 0.52 -0.41 0.00 0.00 0.00 0.00 179.25 178.57 1p6t h ALA 59 N 1.24 0.75 0.27 0.00 0.00 -0.36 0.58 119.26 121.73 1p6t h ALA 59 Ca 0.28 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1p6t h ALA 59 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1p6t h ALA 59 CO -0.05 0.66 -0.27 0.82 0.00 0.00 0.00 179.25 180.41 1p6t h ILE 60 N 0.56 0.42 -0.54 0.00 1.08 -0.50 0.20 117.51 118.74 1p6t h ILE 60 Ca 0.05 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.54 1p6t h ILE 60 Cb 0.94 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 35.08 1p6t h ILE 60 CO 0.09 0.00 0.32 0.06 -0.69 0.00 0.00 178.15 177.92 1p6t h GLN 61 N -0.58 0.61 -0.97 2.37 3.07 -0.99 -1.73 115.11 116.89 1p6t h GLN 61 Ca -0.01 -0.04 0.09 0.00 0.09 0.00 0.00 58.65 58.78 1p6t h GLN 61 Cb 0.53 -0.14 -0.07 0.00 0.08 0.00 0.00 27.48 27.88 1p6t h GLN 61 CO -0.06 0.40 0.62 1.49 0.09 0.00 0.00 178.83 181.38 1p6t h GLU 62 N 0.63 1.01 -0.31 0.06 4.81 -0.29 0.66 114.58 121.14 1p6t h GLU 62 Ca 0.22 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1p6t h GLU 62 Cb 0.04 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1p6t h GLU 62 CO -0.10 0.67 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.56 1p6t h LYS 63 N 1.04 0.60 -0.34 1.92 1.63 0.21 0.11 116.57 121.75 1p6t h LYS 63 Ca 0.44 -0.23 0.07 0.00 -0.85 0.00 0.00 60.65 60.08 1p6t h LYS 63 Cb 0.32 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.85 1p6t h LYS 63 CO -0.20 0.78 -0.10 0.82 -3.45 0.00 0.00 179.45 177.31 1p6t h ILE 64 N 0.38 0.64 0.02 2.00 2.04 -0.54 0.13 117.51 122.17 1p6t h ILE 64 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1p6t h ILE 64 Cb 0.56 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1p6t h ILE 64 CO 0.03 0.00 -0.04 -0.33 0.00 0.00 0.00 178.15 177.81 1p6t h GLU 65 N -0.02 -0.08 -0.66 2.37 5.08 -0.55 -1.90 114.58 118.81 1p6t h GLU 65 Ca 0.16 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.61 1p6t h GLU 65 Cb 0.27 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1p6t h GLU 65 CO -0.36 -0.06 0.44 0.87 -1.00 0.00 0.00 179.01 178.90 1p6t h LYS 66 N -0.09 0.56 0.00 2.33 6.56 -0.44 0.86 116.57 126.35 1p6t h LYS 66 Ca 0.01 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1p6t h LYS 66 Cb 0.10 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.63 1p6t h LYS 66 CO -0.03 0.37 0.00 1.28 -2.06 0.00 0.00 179.45 179.02 1p6t n LEU 67 N -4.48 0.54 -0.08 2.94 4.77 0.42 -4.86 117.00 116.25 1p6t n LEU 67 Ca 0.10 0.69 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 1p6t n LEU 67 Cb 0.30 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1p6t n LEU 67 CO 0.34 -0.72 0.00 0.61 -1.33 0.00 0.00 177.39 176.28 1p6t n GLY 68 N -0.71 0.95 3.51 -0.72 0.00 0.29 -5.08 105.19 103.44 1p6t n GLY 68 Ca 0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.08 1.79 0.00 1.61 1.51 -1.15 -4.98 117.35 114.06 1p6t s TYR 69 Ca 0.00 -1.28 0.00 0.00 -1.01 0.00 0.00 57.07 54.78 1p6t s TYR 69 Cb 0.00 -1.15 -0.00 0.00 -0.11 0.00 0.00 41.96 40.69 1p6t s TYR 69 CO 0.00 -0.30 -0.01 -1.58 -1.11 0.00 0.00 175.55 172.55 1p6t s HIS 70 N -3.22 0.11 -0.10 2.71 2.46 -1.20 -4.29 115.29 111.77 1p6t s HIS 70 Ca 0.24 -0.12 -0.12 0.00 0.47 0.00 0.00 55.06 55.54 1p6t s HIS 70 Cb 0.03 -0.08 -0.05 0.00 -0.13 0.00 0.00 32.58 32.35 1p6t s HIS 70 CO 0.15 -0.04 0.27 0.14 -2.47 0.00 0.00 174.74 172.79 1p6t s VAL 71 N -0.31 5.29 -1.46 0.89 -7.23 -1.26 -0.52 120.40 115.79 1p6t s VAL 71 Ca -0.03 0.51 -0.08 0.00 -1.81 0.00 0.00 61.98 60.57 1p6t s VAL 71 Cb -0.02 -3.57 -0.01 0.00 0.56 0.00 0.00 36.38 33.34 1p6t s VAL 71 CO -0.00 0.53 2.75 0.52 -0.31 0.00 0.00 175.10 178.58 1p6t n VAL 72 N 2.47 4.66 -4.96 1.32 0.31 -0.11 -4.87 118.33 117.15 1p6t n VAL 72 Ca -0.15 -3.27 -0.29 0.00 -0.01 0.00 0.00 64.34 60.62 1p6t n VAL 72 Cb 0.53 -2.37 -0.17 0.00 -0.91 0.00 0.00 33.84 30.92 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 0.74 1.67 0.02 2.52 2.01 -1.26 -4.24 115.64 117.10 1p6t s THR 73 Ca 0.63 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.89 1p6t s THR 73 Cb 0.19 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.22 1p6t s THR 73 CO -0.08 0.47 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.55 1p6t s GLU 74 N 0.41 1.27 -1.22 4.92 0.41 0.03 -4.85 118.70 119.67 1p6t s GLU 74 Ca -0.16 -0.73 -0.17 0.00 -0.41 0.00 0.00 54.97 53.50 1p6t s GLU 74 Cb -0.17 -1.28 0.11 0.00 -1.78 0.00 0.00 34.13 31.01 1p6t s GLU 74 CO 0.06 0.34 1.57 -1.59 -0.49 0.00 0.00 175.26 175.15 1p6t s LYS 75 N -0.79 3.96 -0.01 1.61 -2.85 -1.26 -1.56 119.74 118.85 1p6t s LYS 75 Ca 0.06 -2.11 -0.26 0.00 -1.00 0.00 0.00 55.97 52.66 1p6t s LYS 75 Cb -0.07 -5.32 -0.04 0.00 -2.06 0.00 0.00 37.83 30.34 1p6t s LYS 75 CO 0.00 -2.05 0.79 0.00 0.10 0.00 0.00 175.35 174.20 1p6t s ALA 76 N 3.28 3.30 -0.05 0.59 0.00 0.13 -4.86 121.76 124.14 1p6t s ALA 76 Ca 0.48 0.29 -0.16 0.00 0.00 0.00 0.00 51.96 52.57 1p6t s ALA 76 Cb 0.01 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 1p6t s ALA 76 CO 0.02 -0.08 0.42 -1.21 0.00 0.00 0.00 175.76 174.91 1p6t s GLU 77 N 0.56 4.09 0.14 0.00 2.02 -1.26 -0.56 118.70 123.69 1p6t s GLU 77 Ca 0.42 0.39 0.06 0.00 0.02 0.00 0.00 54.97 55.85 1p6t s GLU 77 Cb -0.20 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 1p6t s GLU 77 CO 0.22 0.48 -0.12 -0.06 0.02 0.00 0.00 175.26 175.80 1p6t s PHE 78 N -0.39 1.37 0.05 1.61 0.40 0.52 -1.84 117.98 119.71 1p6t s PHE 78 Ca 0.24 -0.63 0.05 0.00 -0.60 0.00 0.00 56.93 55.98 1p6t s PHE 78 Cb -0.16 -0.70 -0.04 0.00 0.51 0.00 0.00 43.02 42.64 1p6t s PHE 78 CO 0.11 0.14 -0.06 0.34 0.70 0.00 0.00 175.22 176.45 1p6t s ASP 79 N -2.81 4.63 -0.03 1.36 -1.08 0.77 -0.43 116.67 119.09 1p6t s ASP 79 Ca 0.13 -0.23 0.07 0.00 -0.52 0.00 0.00 52.55 52.00 1p6t s ASP 79 Cb -0.02 -1.03 -0.02 0.00 -1.46 0.00 0.00 42.92 40.40 1p6t s ASP 79 CO 0.03 0.23 -0.23 -0.63 0.52 0.00 0.00 175.17 175.08 1p6t s ILE 80 N -1.13 1.84 -0.26 4.11 1.01 -0.00 -0.18 121.20 126.59 1p6t s ILE 80 Ca 0.20 -0.98 0.12 0.00 0.00 0.00 0.00 60.65 59.99 1p6t s ILE 80 Cb -0.11 -1.54 0.46 0.00 0.01 0.00 0.00 42.46 41.28 1p6t s ILE 80 CO 0.12 0.52 1.18 -0.62 0.00 0.00 0.00 174.94 176.13 1p6t n GLU 81 N 2.66 2.78 0.00 2.79 1.02 -0.47 -4.76 120.64 124.66 1p6t n GLU 81 Ca -0.16 -3.81 0.00 0.00 -0.02 0.00 0.00 57.16 53.16 1p6t n GLU 81 Cb 0.52 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1p6t n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p6t n GLY 82 N -0.68 0.00 3.57 0.62 0.00 -1.26 -4.39 105.19 103.06 1p6t n GLY 82 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 1p6t n GLY 82 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1p6t s MET 83 N -1.65 -0.05 0.00 1.61 0.23 -1.26 -4.88 119.30 113.29 1p6t s MET 83 Ca 0.00 1.12 0.00 0.00 -1.03 0.00 0.00 55.69 55.78 1p6t s MET 83 Cb 0.00 -1.63 0.00 0.00 -1.53 0.00 0.00 34.83 31.67 1p6t s MET 83 CO 0.00 -3.22 0.00 -2.37 -2.03 0.00 0.00 175.02 167.40 1p6t n THR 84 N -4.60 0.00 -0.55 3.16 5.66 -1.26 -5.00 114.28 111.69 1p6t n THR 84 Ca 0.07 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.90 1p6t n THR 84 Cb 0.53 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 69.41 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 -0.40 -0.72 -0.02 0.00 0.00 -1.26 -4.71 120.51 113.41 1p6t n ALA 86 Ca 0.38 0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.79 1p6t n ALA 86 Cb 1.07 -0.60 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.01 2.69 -0.25 0.00 0.00 -1.26 -4.29 120.51 115.38 1p6t n ALA 87 Ca -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.22 1p6t n ALA 87 Cb 0.40 0.42 0.11 0.00 0.00 0.00 0.00 19.45 20.38 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 1.36 0.34 -0.22 0.00 0.00 -1.96 0.21 119.26 119.00 1p6t h ALA 89 Ca 0.32 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1p6t h ALA 89 Cb 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1p6t h ALA 89 CO -0.18 -0.30 0.13 -0.91 0.00 0.00 0.00 179.25 177.99 1p6t h ASN 90 N 0.23 0.28 -0.31 0.00 2.35 -1.46 0.13 115.58 116.80 1p6t h ASN 90 Ca 0.13 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1p6t h ASN 90 Cb 0.11 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1p6t h ASN 90 CO -0.14 0.27 0.18 0.03 -1.65 0.00 0.00 177.43 176.12 1p6t h ARG 91 N 0.26 0.43 -0.47 0.81 3.08 -0.73 -1.54 114.38 116.23 1p6t h ARG 91 Ca 0.08 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1p6t h ARG 91 Cb 0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1p6t h ARG 91 CO -0.01 0.34 0.14 0.97 -1.07 0.00 0.00 179.97 180.34 1p6t h ILE 92 N 0.39 1.19 0.43 2.04 2.10 -0.33 0.19 117.51 123.53 1p6t h ILE 92 Ca 0.11 -0.66 -0.02 0.00 1.08 0.00 0.00 64.86 65.38 1p6t h ILE 92 Cb 0.03 0.69 -0.00 0.00 -1.09 0.00 0.00 36.82 36.45 1p6t h ILE 92 CO -0.02 0.25 -0.23 -0.08 -1.08 0.00 0.00 178.15 176.98 1p6t h GLU 93 N 0.67 -0.60 0.00 2.19 4.22 -0.66 0.23 114.58 120.64 1p6t h GLU 93 Ca 0.16 0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.59 1p6t h GLU 93 Cb 0.21 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1p6t h GLU 93 CO -0.01 -0.40 -0.24 0.87 -2.18 0.00 0.00 179.01 177.06 1p6t h LYS 94 N -0.62 0.00 0.00 1.92 1.79 -0.62 0.10 116.57 119.14 1p6t h LYS 94 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1p6t h LYS 94 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1p6t h LYS 94 CO 0.07 0.24 0.00 0.54 -1.08 0.00 0.00 179.45 179.22 1p6t n ARG 95 N -3.93 0.00 -0.35 3.15 5.12 0.61 -4.23 116.66 117.04 1p6t n ARG 95 Ca -0.02 0.47 0.25 0.00 -1.93 0.00 0.00 57.85 56.62 1p6t n ARG 95 Cb 0.32 -1.14 0.51 0.00 -1.16 0.00 0.00 32.46 30.99 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 0.45 -0.36 0.55 3.38 -0.45 -1.44 115.31 117.44 1p6t h LEU 96 Ca 0.00 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.17 1p6t h LEU 96 Cb 0.00 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1p6t h LEU 96 CO 0.00 -0.00 -0.06 -3.20 0.09 0.00 0.00 178.44 175.27 1p6t n ASN 97 N -4.75 -0.10 -2.90 -0.43 2.85 0.34 -2.93 115.26 107.35 1p6t n ASN 97 Ca 0.29 0.62 -0.12 0.00 -0.11 0.00 0.00 54.58 55.25 1p6t n ASN 97 Cb 0.98 -0.20 0.04 0.00 1.24 0.00 0.00 39.78 41.85 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 -4.50 0.98 -0.01 1.20 -0.00 -0.55 -4.30 118.16 110.98 1p6t n LYS 98 Ca 0.07 -2.44 -0.11 0.00 -0.00 0.00 0.00 58.31 55.83 1p6t n LYS 98 Cb 0.21 -1.29 -0.06 0.00 -0.00 0.00 0.00 35.03 33.90 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 2.31 1.08 0.00 0.58 1.08 -1.52 -3.47 117.51 117.57 1p6t h ILE 99 Ca -0.03 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1p6t h ILE 99 Cb 1.05 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.84 1p6t h ILE 99 CO 0.28 0.07 0.00 1.21 -0.69 0.00 0.00 178.15 179.01 1p6t n GLU 100 N -4.98 0.00 -2.35 2.37 2.13 -1.26 -4.98 120.64 111.56 1p6t n GLU 100 Ca -0.05 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.52 1p6t n GLU 100 Cb 0.06 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.78 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p6t n GLY 101 N -0.92 5.80 3.56 8.31 0.00 -1.23 -1.62 105.19 119.10 1p6t n GLY 101 Ca 0.00 -2.62 -0.36 0.00 0.00 0.00 0.00 46.02 43.04 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 -5.07 4.83 -0.08 1.61 1.01 -1.26 -0.66 120.40 120.78 1p6t s VAL 102 Ca 0.47 -0.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.20 1p6t s VAL 102 Cb 0.40 -3.24 -0.26 0.00 0.00 0.00 0.00 36.38 33.28 1p6t s VAL 102 CO -0.10 0.36 0.92 0.00 0.00 0.00 0.00 175.10 176.27 1p6t h ALA 103 N 7.71 -0.01 -2.65 5.51 0.00 -0.69 -3.41 119.26 125.73 1p6t h ALA 103 Ca -0.37 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 53.93 1p6t h ALA 103 Cb 1.18 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 1p6t h ALA 103 CO 0.62 0.12 -0.26 -0.80 0.00 0.00 0.00 179.25 178.93 1p6t s ASN 104 N -6.43 -0.00 -0.44 0.00 0.01 -0.76 -4.56 114.94 102.76 1p6t s ASN 104 Ca -0.16 -0.71 0.07 0.00 -0.71 0.00 0.00 52.86 51.35 1p6t s ASN 104 Cb -0.00 0.43 0.33 0.00 0.41 0.00 0.00 41.25 42.42 1p6t s ASN 104 CO 0.75 -0.87 1.03 0.00 -1.51 0.00 0.00 177.10 176.50 1p6t n ALA 105 N -0.19 -0.16 -1.94 0.60 0.00 -1.26 -0.42 120.51 117.14 1p6t n ALA 105 Ca -0.10 -1.90 -0.41 0.00 0.00 0.00 0.00 53.44 51.02 1p6t n ALA 105 Cb 0.63 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 4.39 0.02 0.00 0.04 -1.13 -4.69 135.00 133.29 1p6t s PRO 106 Ca 0.26 2.08 -0.01 0.00 0.04 0.00 0.00 61.00 63.37 1p6t s PRO 106 Cb 0.30 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 1p6t s PRO 106 CO -0.06 -0.22 0.14 0.14 0.04 0.00 0.00 177.00 177.04 1p6t s VAL 107 N -0.19 5.09 -0.11 -0.36 -7.23 -1.26 -1.31 120.40 115.03 1p6t s VAL 107 Ca 0.55 -0.36 0.02 0.00 -1.81 0.00 0.00 61.98 60.38 1p6t s VAL 107 Cb -0.37 -3.39 -0.01 0.00 0.56 0.00 0.00 36.38 33.17 1p6t s VAL 107 CO 0.41 0.28 -0.17 0.20 -0.31 0.00 0.00 175.10 175.51 1p6t s ASN 108 N -2.03 3.69 0.00 4.85 -0.87 0.52 -4.99 114.94 116.12 1p6t s ASN 108 Ca 0.27 -0.40 0.21 0.00 -1.57 0.00 0.00 52.86 51.38 1p6t s ASN 108 Cb -0.12 -1.46 0.54 0.00 -0.02 0.00 0.00 41.25 40.18 1p6t s ASN 108 CO 0.19 0.18 1.45 0.33 -2.57 0.00 0.00 177.10 176.68 1p6t n PHE 109 N 3.41 0.45 -0.09 2.20 7.35 -1.26 -2.31 117.46 127.22 1p6t n PHE 109 Ca -0.18 -0.23 -0.18 0.00 -0.76 0.00 0.00 57.45 56.10 1p6t n PHE 109 Cb 0.53 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.24 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 4.27 0.15 -0.10 3.13 0.00 -1.95 -3.40 119.26 121.36 1p6t h ALA 110 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1p6t h ALA 110 Cb 0.78 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1p6t h ALA 110 CO 0.00 0.39 0.00 1.47 0.00 0.00 0.00 179.25 181.11 1p6t n LEU 111 N -4.51 2.01 -3.42 0.00 -0.00 -1.26 -5.01 117.00 104.80 1p6t n LEU 111 Ca -0.22 -1.50 -0.20 0.00 -0.00 0.00 0.00 56.01 54.09 1p6t n LEU 111 Cb 0.59 -0.06 0.08 0.00 -0.00 0.00 0.00 43.42 44.02 1p6t n LEU 111 CO 0.25 0.47 0.17 -0.62 -0.00 0.00 0.00 177.39 177.67 1p6t n GLU 112 N 0.20 -7.05 -4.27 1.47 1.02 -0.98 -4.84 120.64 106.18 1p6t n GLU 112 Ca 0.05 0.81 -0.23 0.00 -0.02 0.00 0.00 57.16 57.77 1p6t n GLU 112 Cb 0.25 -5.77 -0.07 0.00 -0.02 0.00 0.00 31.44 25.82 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 -3.33 3.21 -0.07 2.62 -4.23 -1.03 -0.82 115.64 111.99 1p6t s THR 113 Ca 0.27 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 58.90 1p6t s THR 113 Cb -0.12 -2.84 0.01 0.00 1.34 0.00 0.00 72.50 70.90 1p6t s THR 113 CO 0.71 -0.32 -0.12 0.54 -0.54 0.00 0.00 174.62 174.89 1p6t s VAL 114 N -2.38 1.13 -0.19 2.29 0.11 0.43 -0.35 120.40 121.44 1p6t s VAL 114 Ca 0.33 -0.47 -0.24 0.00 -2.93 0.00 0.00 61.98 58.67 1p6t s VAL 114 Cb -0.05 -1.04 -0.02 0.00 -1.53 0.00 0.00 36.38 33.75 1p6t s VAL 114 CO 0.20 0.35 0.79 -0.89 -3.33 0.00 0.00 175.10 172.23 1p6t s THR 115 N 0.71 4.90 -0.31 5.04 2.01 -0.43 -0.35 115.64 127.20 1p6t s THR 115 Ca -0.14 1.53 -0.09 0.00 0.31 0.00 0.00 61.69 63.31 1p6t s THR 115 Cb -0.16 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.26 1p6t s THR 115 CO 0.03 0.03 0.13 0.54 -0.69 0.00 0.00 174.62 174.66 1p6t s VAL 116 N 2.21 4.37 -0.76 3.82 0.11 0.28 -2.84 120.40 127.59 1p6t s VAL 116 Ca 0.36 -0.56 -0.12 0.00 -2.93 0.00 0.00 61.98 58.73 1p6t s VAL 116 Cb -0.16 -3.26 0.20 0.00 -1.53 0.00 0.00 36.38 31.63 1p6t s VAL 116 CO 0.11 0.04 0.68 -0.70 -3.33 0.00 0.00 175.10 171.90 1p6t s GLU 117 N 1.57 3.35 0.26 1.54 -6.30 0.44 -0.69 118.70 118.86 1p6t s GLU 117 Ca 0.04 -2.41 -0.04 0.00 -2.50 0.00 0.00 54.97 50.05 1p6t s GLU 117 Cb -0.17 -4.28 -0.02 0.00 0.00 0.00 0.00 34.13 29.66 1p6t s GLU 117 CO 0.05 -1.27 0.34 1.52 0.02 0.00 0.00 175.26 175.92 1p6t s TYR 118 N 0.25 0.93 -0.48 5.30 1.13 -0.60 -0.04 117.35 123.84 1p6t s TYR 118 Ca 0.16 -1.17 -0.17 0.00 -1.41 0.00 0.00 57.07 54.48 1p6t s TYR 118 Cb -0.14 -0.22 0.06 0.00 -1.10 0.00 0.00 41.96 40.56 1p6t s TYR 118 CO -0.07 -0.89 0.50 1.21 -2.51 0.00 0.00 175.55 173.79 1p6t s ASN 119 N -3.15 6.19 0.00 -0.18 3.84 0.17 -0.79 114.94 121.02 1p6t s ASN 119 Ca 0.32 -1.03 0.15 0.00 0.21 0.00 0.00 52.86 52.50 1p6t s ASN 119 Cb 0.02 -2.23 0.90 0.00 -0.55 0.00 0.00 41.25 39.39 1p6t s ASN 119 CO 0.14 -0.73 1.48 -0.81 -2.79 0.00 0.00 177.10 174.39 1p6t n PRO 120 N 5.68 0.86 -0.06 0.43 -0.04 -1.26 -1.77 135.00 138.83 1p6t n PRO 120 Ca -0.09 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.15 1p6t n PRO 120 Cb 0.45 -1.27 -0.13 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.77 0.68 -0.01 0.54 -0.00 -1.26 -4.53 118.16 112.81 1p6t n LYS 121 Ca 0.11 0.29 -0.17 0.00 -0.00 0.00 0.00 58.31 58.54 1p6t n LYS 121 Cb 0.05 -1.65 -0.10 0.00 -0.00 0.00 0.00 35.03 33.34 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 -0.24 0.49 0.00 -1.58 4.57 -1.83 -3.47 114.58 112.52 1p6t h GLU 122 Ca -0.48 -0.46 -0.59 0.00 -1.18 0.00 0.00 59.36 56.65 1p6t h GLU 122 Cb 1.84 0.11 -0.13 0.00 -0.16 0.00 0.00 28.75 30.41 1p6t h GLU 122 CO -0.06 1.10 -0.48 0.00 -1.18 0.00 0.00 179.01 178.39 1p6t n ALA 123 N -2.57 0.56 -3.41 2.92 0.00 -0.73 -4.99 120.51 112.29 1p6t n ALA 123 Ca -0.09 -2.18 -0.12 0.00 0.00 0.00 0.00 53.44 51.06 1p6t n ALA 123 Cb 0.66 1.41 -0.02 0.00 0.00 0.00 0.00 19.45 21.49 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 -3.64 -0.52 0.25 0.00 0.01 -1.26 -4.20 113.70 104.34 1p6t s SER 124 Ca 0.17 -0.07 0.05 0.00 1.31 0.00 0.00 55.95 57.41 1p6t s SER 124 Cb 0.01 0.60 0.68 0.00 0.21 0.00 0.00 66.02 67.52 1p6t s SER 124 CO 0.12 -0.98 1.21 0.52 0.41 0.00 0.00 173.24 174.52 1p6t n VAL 125 N -0.37 -0.32 -0.29 3.43 0.31 -1.26 -0.15 118.33 119.68 1p6t n VAL 125 Ca -0.16 1.66 0.06 0.00 -0.01 0.00 0.00 64.34 65.89 1p6t n VAL 125 Cb 0.65 -2.48 0.20 0.00 -0.91 0.00 0.00 33.84 31.29 1p6t n VAL 125 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1p6t h SER 126 N 0.00 0.56 -0.55 4.52 0.02 -1.98 0.12 113.55 116.23 1p6t h SER 126 Ca 0.51 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.52 1p6t h SER 126 Cb 1.13 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 1p6t h SER 126 CO -0.70 0.26 0.30 -0.78 -1.14 0.00 0.00 176.83 174.78 1p6t h ASP 127 N 0.66 0.69 0.10 3.07 3.58 -0.96 0.10 116.42 123.66 1p6t h ASP 127 Ca 0.44 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.79 1p6t h ASP 127 Cb 0.56 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1p6t h ASP 127 CO -0.33 0.58 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.49 1p6t h LEU 128 N 0.74 -0.11 0.17 2.28 3.38 -1.05 0.27 115.31 120.99 1p6t h LEU 128 Ca 0.19 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1p6t h LEU 128 Cb 0.04 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1p6t h LEU 128 CO -0.03 -0.07 -0.30 0.11 0.09 0.00 0.00 178.44 178.23 1p6t h LYS 129 N -0.13 -0.53 -0.92 1.13 1.57 -0.66 -0.00 116.57 117.02 1p6t h LYS 129 Ca -0.01 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1p6t h LYS 129 Cb 0.10 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 1p6t h LYS 129 CO 0.02 -0.35 0.60 0.93 -0.57 0.00 0.00 179.45 180.07 1p6t h GLU 130 N -0.55 0.96 0.31 3.15 5.08 -0.45 0.22 114.58 123.30 1p6t h GLU 130 Ca 0.02 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1p6t h GLU 130 Cb 0.56 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1p6t h GLU 130 CO -0.15 0.63 -0.15 0.00 -1.00 0.00 0.00 179.01 178.35 1p6t h ALA 131 N 1.52 -0.41 -0.21 3.43 0.00 -0.10 -2.28 119.26 121.21 1p6t h ALA 131 Ca 0.42 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1p6t h ALA 131 Cb 0.31 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1p6t h ALA 131 CO -0.17 -0.60 -0.19 0.28 0.00 0.00 0.00 179.25 178.57 1p6t h VAL 132 N -0.68 1.23 -0.94 0.00 2.07 -0.44 0.13 116.25 117.63 1p6t h VAL 132 Ca -0.04 -1.05 0.08 0.00 0.82 0.00 0.00 66.70 66.51 1p6t h VAL 132 Cb 0.47 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 1p6t h VAL 132 CO 0.07 0.33 0.60 0.44 0.02 0.00 0.00 177.57 179.03 1p6t h ASP 133 N 0.33 0.90 -0.32 0.57 3.32 -0.59 0.22 116.42 120.86 1p6t h ASP 133 Ca 0.06 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 1p6t h ASP 133 Cb 0.52 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1p6t h ASP 133 CO 0.03 0.55 -0.29 0.50 -1.72 0.00 0.00 179.24 178.31 1p6t h LYS 134 N 1.01 0.77 0.00 3.56 1.63 -0.20 -2.35 116.57 120.99 1p6t h LYS 134 Ca 0.42 -0.40 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1p6t h LYS 134 Cb 0.30 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1p6t h LYS 134 CO -0.18 1.02 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.76 1p6t h LEU 135 N 0.54 0.00 -0.27 5.20 -0.00 -0.32 -3.46 115.31 116.99 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 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 1p6t h LEU 135 CO 0.07 0.01 0.00 0.61 -0.00 0.00 0.00 178.44 179.14 1p6t n GLY 136 N -1.35 1.09 3.56 0.83 0.00 0.69 -5.08 105.19 104.92 1p6t n GLY 136 Ca -0.03 -0.26 -0.27 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 -2.27 1.79 -0.01 1.61 2.02 -0.60 -5.01 117.35 114.87 1p6t s TYR 137 Ca 0.00 -1.27 0.07 0.00 -0.37 0.00 0.00 57.07 55.50 1p6t s TYR 137 Cb 0.00 -1.21 -0.02 0.00 -0.40 0.00 0.00 41.96 40.33 1p6t s TYR 137 CO 0.00 -0.26 -0.22 -1.59 -1.57 0.00 0.00 175.55 171.91 1p6t s LYS 138 N -3.71 1.74 -0.06 -0.62 -2.85 -1.26 -3.64 119.74 109.34 1p6t s LYS 138 Ca 0.20 -0.82 0.04 0.00 -1.00 0.00 0.00 55.97 54.39 1p6t s LYS 138 Cb 0.02 -1.71 0.00 0.00 -2.06 0.00 0.00 37.83 34.08 1p6t s LYS 138 CO 0.13 0.47 -0.17 -1.17 0.10 0.00 0.00 175.35 174.70 1p6t s LEU 139 N -0.62 1.89 0.22 2.77 1.98 -1.26 -1.37 118.68 122.28 1p6t s LEU 139 Ca 0.08 -0.38 0.11 0.00 -2.89 0.00 0.00 54.13 51.06 1p6t s LEU 139 Cb -0.09 -1.03 -0.05 0.00 0.66 0.00 0.00 46.19 45.69 1p6t s LEU 139 CO -0.00 0.13 -0.22 -0.54 -1.89 0.00 0.00 176.35 173.83 1p6t s LYS 140 N 0.22 1.54 0.13 1.98 -0.14 0.75 -4.96 119.74 119.25 1p6t s LYS 140 Ca -0.09 -1.59 -0.14 0.00 -1.36 0.00 0.00 55.97 52.79 1p6t s LYS 140 Cb -0.14 -1.76 -0.07 0.00 -1.68 0.00 0.00 37.83 34.19 1p6t s LYS 140 CO 0.04 0.36 0.54 -0.51 -0.76 0.00 0.00 175.35 175.02 1p6t s LEU 141 N -2.93 4.36 -1.21 3.17 1.02 -1.26 -0.16 118.68 121.67 1p6t s LEU 141 Ca 0.23 1.07 -0.20 0.00 0.02 0.00 0.00 54.13 55.26 1p6t s LEU 141 Cb -0.07 -3.19 0.06 0.00 0.02 0.00 0.00 46.19 43.01 1p6t s LEU 141 CO 0.11 0.13 1.67 -0.54 0.02 0.00 0.00 176.35 177.74 1p6t s LYS 142 N -1.85 3.79 0.00 1.70 1.02 -0.77 -4.57 119.74 119.06 1p6t s LYS 142 Ca 0.36 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.67 1p6t s LYS 142 Cb -0.15 -5.47 0.00 0.00 -0.52 0.00 0.00 37.83 31.69 1p6t s LYS 142 CO 0.19 -2.33 0.00 0.41 -0.92 0.00 0.00 175.35 172.70 1p6t n GLY 143 N 5.87 1.50 2.71 -3.33 0.00 -1.26 -4.61 105.19 106.06 1p6t n GLY 143 Ca 0.44 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.19 0.00 1.61 2.13 -1.26 -4.45 120.64 115.48 1p6t n GLU 144 Ca 0.00 0.93 0.00 0.00 0.66 0.00 0.00 57.16 58.75 1p6t n GLU 144 Cb 0.00 -5.68 0.00 0.00 0.27 0.00 0.00 31.44 26.03 1p6t n GLU 144 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1p6t n GLN 145 N -3.48 0.00 -3.38 5.31 6.02 -1.26 -5.02 117.38 115.57 1p6t n GLN 145 Ca -0.18 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.65 1p6t n GLN 145 Cb 0.65 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.99 1p6t n GLN 145 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1p6t n ASP 146 N -1.80 -3.38 -0.79 1.08 2.03 -1.26 -2.38 116.55 110.06 1p6t n ASP 146 Ca 0.00 -0.65 -0.10 0.00 0.52 0.00 0.00 54.79 54.56 1p6t n ASP 146 Cb 0.00 -5.13 -0.04 0.00 -0.72 0.00 0.00 41.12 35.23 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 -3.16 -5.21 -3.94 1.67 7.64 -1.26 -4.91 113.62 104.46 1p6t n SER 147 Ca -0.23 0.26 -0.42 0.00 1.01 0.00 0.00 58.87 59.49 1p6t n SER 147 Cb 0.66 -3.62 -0.01 0.00 -1.01 0.00 0.00 64.21 60.23 1p6t n SER 147 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1p6t n ILE 148 N -2.38 3.42 -4.69 0.44 2.08 -1.00 -4.84 119.36 112.39 1p6t n ILE 148 Ca -0.10 -3.14 -0.33 0.00 0.56 0.00 0.00 62.75 59.73 1p6t n ILE 148 Cb 0.50 -2.52 -0.14 0.00 -0.75 0.00 0.00 39.64 36.73 1p6t n ILE 148 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1p6t s GLU 149 N 3.64 3.37 0.00 0.38 2.02 -1.26 -4.97 118.70 121.88 1p6t s GLU 149 Ca 0.50 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.85 1p6t s GLU 149 Cb 0.11 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.66 1p6t s GLU 149 CO -0.03 0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.92 1p6t n GLY 150 N 3.39 0.15 0.00 -1.39 0.00 -1.26 -5.23 105.19 100.86 1p6t n GLY 150 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1p6t n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86