#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 -3.59 4.03 4.77 -1.26 -5.16 117.00 115.79 1p6t n LEU 2 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 1p6t n LEU 2 Cb 0.00 0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1p6t n LEU 2 CO 0.00 -0.10 1.18 -0.94 -1.33 0.00 0.00 177.39 176.20 1p6t s SER 3 N -0.36 -0.02 -0.35 -1.43 1.04 -1.26 -5.09 113.70 106.23 1p6t s SER 3 Ca 0.00 -0.02 0.15 0.00 0.48 0.00 0.00 55.95 56.56 1p6t s SER 3 Cb 0.00 0.04 0.42 0.00 0.10 0.00 0.00 66.02 66.58 1p6t s SER 3 CO 0.00 -0.07 0.97 1.21 0.98 0.00 0.00 173.24 176.33 1p6t n GLU 4 N -0.33 1.11 -1.80 4.02 2.13 -1.26 -5.13 120.64 119.39 1p6t n GLU 4 Ca -0.04 -3.03 -0.35 0.00 0.66 0.00 0.00 57.16 54.40 1p6t n GLU 4 Cb 0.61 -1.17 0.06 0.00 0.27 0.00 0.00 31.44 31.21 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 -2.37 2.67 -0.03 5.31 -1.52 -1.26 -4.33 119.66 118.12 1p6t s GLN 5 Ca 0.29 1.81 0.06 0.00 -1.95 0.00 0.00 55.36 55.56 1p6t s GLN 5 Cb 0.42 -1.89 -0.01 0.00 -0.22 0.00 0.00 33.01 31.31 1p6t s GLN 5 CO -0.01 -1.44 -0.21 -1.59 -0.25 0.00 0.00 175.29 171.79 1p6t s LYS 6 N -3.56 1.94 0.40 2.91 -2.85 0.30 -4.95 119.74 113.93 1p6t s LYS 6 Ca 0.76 -0.76 -0.13 0.00 -1.00 0.00 0.00 55.97 54.85 1p6t s LYS 6 Cb -0.30 -1.76 -0.08 0.00 -2.06 0.00 0.00 37.83 33.64 1p6t s LYS 6 CO 0.38 0.38 0.80 -1.21 0.10 0.00 0.00 175.35 175.81 1p6t s GLU 7 N -0.27 3.88 -0.21 1.78 8.01 -1.26 -1.14 118.70 129.50 1p6t s GLU 7 Ca 0.02 0.63 -0.11 0.00 0.01 0.00 0.00 54.97 55.52 1p6t s GLU 7 Cb -0.10 -2.35 0.07 0.00 -4.31 0.00 0.00 34.13 27.43 1p6t s GLU 7 CO 0.01 -0.02 0.50 -1.50 0.01 0.00 0.00 175.26 174.25 1p6t s ILE 8 N -2.30 -0.08 -0.16 -1.63 2.07 -0.27 -4.98 121.20 113.83 1p6t s ILE 8 Ca 0.54 0.07 -0.01 0.00 -1.41 0.00 0.00 60.65 59.84 1p6t s ILE 8 Cb -0.10 -0.73 -0.01 0.00 0.13 0.00 0.00 42.46 41.75 1p6t s ILE 8 CO 0.27 0.03 -0.12 0.00 -1.91 0.00 0.00 174.94 173.20 1p6t s ALA 9 N 1.59 2.60 0.29 1.50 0.00 -1.25 -0.93 121.76 125.55 1p6t s ALA 9 Ca -0.09 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.85 1p6t s ALA 9 Cb -0.08 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 1p6t s ALA 9 CO -0.15 -0.06 0.28 -1.64 0.00 0.00 0.00 175.76 174.19 1p6t s MET 10 N 0.86 1.59 -0.12 0.00 -1.94 0.11 -3.73 119.30 116.08 1p6t s MET 10 Ca -0.04 -1.79 0.01 0.00 -1.71 0.00 0.00 55.69 52.16 1p6t s MET 10 Cb -0.15 0.34 -0.01 0.00 2.01 0.00 0.00 34.83 37.02 1p6t s MET 10 CO -0.00 -0.59 -0.16 -1.14 -0.01 0.00 0.00 175.02 173.12 1p6t s GLN 11 N -3.64 3.30 0.03 2.03 -0.44 -1.26 -0.18 119.66 119.50 1p6t s GLN 11 Ca 0.37 -0.73 0.06 0.00 -2.50 0.00 0.00 55.36 52.56 1p6t s GLN 11 Cb 0.03 -2.56 -0.02 0.00 -1.64 0.00 0.00 33.01 28.82 1p6t s GLN 11 CO 0.20 0.19 -0.18 0.54 0.50 0.00 0.00 175.29 176.54 1p6t s VAL 12 N 0.38 1.44 0.18 1.34 0.11 -1.26 -0.94 120.40 121.65 1p6t s VAL 12 Ca -0.12 -1.05 0.08 0.00 -2.93 0.00 0.00 61.98 57.95 1p6t s VAL 12 Cb -0.16 -1.25 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 1p6t s VAL 12 CO 0.06 0.18 -0.01 -0.44 -3.33 0.00 0.00 175.10 171.56 1p6t s SER 13 N -1.02 4.71 0.00 3.54 0.01 0.66 -4.59 113.70 117.01 1p6t s SER 13 Ca 0.05 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1p6t s SER 13 Cb -0.08 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.17 1p6t s SER 13 CO 0.01 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1p6t n GLY 14 N -0.16 0.60 3.56 3.44 0.00 -1.26 -1.62 105.19 109.75 1p6t n GLY 14 Ca -0.10 0.00 -0.34 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 -0.69 3.06 0.58 1.61 -1.94 -1.26 -4.80 119.30 115.86 1p6t s MET 15 Ca 0.00 -0.69 0.29 0.00 -1.71 0.00 0.00 55.69 53.59 1p6t s MET 15 Cb 0.00 -5.20 1.43 0.00 2.01 0.00 0.00 34.83 33.08 1p6t s MET 15 CO 0.00 -2.80 1.84 1.15 -0.01 0.00 0.00 175.02 175.20 1p6t h THR 16 N 7.02 0.35 -3.44 2.05 2.02 -1.97 -3.47 112.91 115.47 1p6t h THR 16 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1p6t h THR 16 Cb 1.01 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1p6t h THR 16 CO 1.32 0.00 -0.22 0.00 0.37 0.00 0.00 175.52 176.98 1p6t n ALA 18 N 0.17 0.00 -0.04 0.00 0.00 -1.26 -4.91 120.51 114.48 1p6t n ALA 18 Ca -0.01 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.61 1p6t n ALA 18 Cb 0.02 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.10 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 0.00 2.35 0.52 0.00 0.00 -1.98 -2.76 119.26 117.38 1p6t h ALA 19 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1p6t h ALA 19 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1p6t h ALA 19 CO 0.00 -0.51 -0.25 0.00 0.00 0.00 0.00 179.25 178.49 1p6t h ALA 21 N -0.74 0.30 -0.92 0.00 0.00 -1.89 -1.22 119.26 114.80 1p6t h ALA 21 Ca -0.07 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1p6t h ALA 21 Cb 0.61 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1p6t h ALA 21 CO 0.12 -0.33 0.60 0.00 0.00 0.00 0.00 179.25 179.63 1p6t h ALA 22 N 1.18 1.52 -0.63 0.00 0.00 -1.44 0.40 119.26 120.29 1p6t h ALA 22 Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1p6t h ALA 22 Cb 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1p6t h ALA 22 CO -0.14 0.33 0.29 0.00 0.00 0.00 0.00 179.25 179.73 1p6t h ARG 23 N 1.03 0.92 0.50 0.00 2.47 0.78 0.12 114.38 120.19 1p6t h ARG 23 Ca 0.40 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 58.96 1p6t h ARG 23 Cb 0.24 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1p6t h ARG 23 CO -0.16 0.74 -0.24 0.82 0.56 0.00 0.00 179.97 181.70 1p6t h ILE 24 N 0.87 0.49 -0.65 2.04 2.04 -0.29 0.23 117.51 122.23 1p6t h ILE 24 Ca 0.21 -0.20 0.10 0.00 1.00 0.00 0.00 64.86 65.98 1p6t h ILE 24 Cb 0.14 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 36.72 1p6t h ILE 24 CO -0.02 0.03 0.26 -0.33 0.00 0.00 0.00 178.15 178.09 1p6t h GLU 25 N -0.79 0.43 -0.08 2.37 5.08 -0.65 0.20 114.58 121.15 1p6t h GLU 25 Ca -0.07 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1p6t h GLU 25 Cb 0.57 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1p6t h GLU 25 CO 0.11 0.28 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.07 1p6t h LYS 26 N 0.44 0.21 -0.81 2.33 3.64 -0.75 0.19 116.57 121.82 1p6t h LYS 26 Ca 0.33 -0.13 0.08 0.00 -1.27 0.00 0.00 60.65 59.67 1p6t h LYS 26 Cb 0.43 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.19 1p6t h LYS 26 CO -0.32 0.69 0.48 0.78 -2.27 0.00 0.00 179.45 178.80 1p6t h GLY 27 N -0.24 1.24 1.06 5.01 0.00 0.11 -1.31 103.07 108.94 1p6t h GLY 27 Ca 0.01 -0.33 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 1p6t h GLY 27 CO 0.03 0.18 -0.52 1.41 0.00 0.00 0.00 176.54 177.64 1p6t h LEU 28 N 0.84 0.85 -1.95 3.11 -0.00 -0.66 -3.02 115.31 114.47 1p6t h LEU 28 Ca 0.37 -0.56 0.17 0.00 -0.00 0.00 0.00 57.88 57.86 1p6t h LEU 28 Cb 0.27 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 1p6t h LEU 28 CO -0.21 1.26 0.52 0.50 -0.00 0.00 0.00 178.44 180.51 1p6t h LYS 29 N 0.48 0.00 -0.30 1.13 1.63 0.06 0.39 116.57 119.96 1p6t h LYS 29 Ca -0.00 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.89 1p6t h LYS 29 Cb 1.14 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 1p6t h LYS 29 CO 0.11 0.00 0.27 -0.09 -3.45 0.00 0.00 179.45 176.29 1p6t h ARG 30 N 0.00 0.00 -6.97 1.90 2.43 -1.14 -3.43 114.38 107.16 1p6t h ARG 30 Ca 0.28 0.00 -0.46 0.00 -0.81 0.00 0.00 59.98 58.99 1p6t h ARG 30 Cb 1.31 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 1p6t h ARG 30 CO -0.00 0.00 0.35 -1.64 -1.51 0.00 0.00 179.97 177.17 1p6t s MET 31 N -4.79 4.35 0.06 0.20 -1.94 0.12 -5.00 119.30 112.31 1p6t s MET 31 Ca -0.05 1.27 -0.18 0.00 -1.71 0.00 0.00 55.69 55.02 1p6t s MET 31 Cb 0.17 -2.48 -0.12 0.00 2.01 0.00 0.00 34.83 34.40 1p6t s MET 31 CO 0.62 0.07 1.37 -1.00 -0.01 0.00 0.00 175.02 176.07 1p6t h PRO 32 N 2.50 0.50 -0.19 2.03 0.13 -1.88 -3.15 132.00 131.94 1p6t h PRO 32 Ca -0.48 -0.26 -0.06 0.00 -0.87 0.00 0.00 66.00 64.33 1p6t h PRO 32 Cb 1.19 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1p6t h PRO 32 CO 0.63 0.84 -0.15 0.78 -0.23 0.00 0.00 178.00 179.86 1p6t h GLY 33 N 0.17 0.34 -7.48 1.56 0.00 -1.90 -3.41 103.07 92.35 1p6t h GLY 33 Ca 0.03 -0.23 -0.45 0.00 0.00 0.00 0.00 47.33 46.68 1p6t h GLY 33 CO 0.05 0.21 1.61 -0.62 0.00 0.00 0.00 176.54 177.79 1p6t n VAL 34 N -4.23 -0.07 0.06 4.60 0.31 -1.19 -1.78 118.33 116.03 1p6t n VAL 34 Ca -0.00 -0.64 -0.22 0.00 -0.01 0.00 0.00 64.34 63.46 1p6t n VAL 34 Cb 0.30 -2.33 -0.15 0.00 -0.91 0.00 0.00 33.84 30.76 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 7.76 1.24 -3.65 2.52 2.02 -1.00 -3.47 112.91 118.33 1p6t h THR 35 Ca -0.19 -2.53 -0.07 0.00 0.77 0.00 0.00 66.41 64.38 1p6t h THR 35 Cb 1.27 2.97 -0.14 0.00 -1.74 0.00 0.00 68.15 70.51 1p6t h THR 35 CO 1.20 0.76 -0.26 -0.62 0.37 0.00 0.00 175.52 176.96 1p6t s ASP 36 N -7.18 -0.01 -0.23 4.18 2.15 -0.06 -5.02 116.67 110.49 1p6t s ASP 36 Ca -0.15 -0.52 -0.03 0.00 0.43 0.00 0.00 52.55 52.28 1p6t s ASP 36 Cb 0.03 0.39 0.11 0.00 -0.30 0.00 0.00 42.92 43.15 1p6t s ASP 36 CO 0.84 -0.77 0.28 0.00 -0.17 0.00 0.00 175.17 175.35 1p6t s ALA 37 N -3.81 -0.51 -0.02 3.66 0.00 -1.26 -0.57 121.76 119.24 1p6t s ALA 37 Ca 0.04 0.28 0.08 0.00 0.00 0.00 0.00 51.96 52.36 1p6t s ALA 37 Cb 0.04 -1.52 -0.02 0.00 0.00 0.00 0.00 23.12 21.62 1p6t s ALA 37 CO -0.11 -1.34 -0.26 -0.80 0.00 0.00 0.00 175.76 173.25 1p6t s ASN 38 N 2.39 3.01 -0.25 0.00 0.01 0.16 -4.83 114.94 115.43 1p6t s ASN 38 Ca 0.09 -0.47 0.03 0.00 -0.71 0.00 0.00 52.86 51.80 1p6t s ASN 38 Cb -0.15 -0.37 0.06 0.00 0.41 0.00 0.00 41.25 41.20 1p6t s ASN 38 CO -0.18 0.31 -0.10 0.54 -1.51 0.00 0.00 177.10 176.16 1p6t s VAL 39 N -0.57 2.07 -1.43 1.60 0.11 -1.26 -0.11 120.40 120.80 1p6t s VAL 39 Ca 0.09 -1.56 -0.14 0.00 -2.93 0.00 0.00 61.98 57.44 1p6t s VAL 39 Cb -0.10 -2.19 0.05 0.00 -1.53 0.00 0.00 36.38 32.61 1p6t s VAL 39 CO -0.01 -0.03 2.14 0.59 -3.33 0.00 0.00 175.10 174.47 1p6t n ASN 40 N 4.47 4.08 0.31 3.54 4.13 0.11 -4.67 115.26 127.23 1p6t n ASN 40 Ca -0.14 -2.86 0.19 0.00 1.68 0.00 0.00 54.58 53.45 1p6t n ASN 40 Cb 0.43 -1.66 1.00 0.00 -1.54 0.00 0.00 39.78 38.01 1p6t n ASN 40 CO 0.00 0.00 0.00 0.17 0.28 0.00 0.00 177.26 177.71 1p6t h LEU 41 N 10.25 0.00 -1.18 3.41 8.10 -1.94 0.79 115.31 134.74 1p6t h LEU 41 Ca 0.54 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.50 1p6t h LEU 41 Cb 0.67 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.87 1p6t h LEU 41 CO 1.82 0.00 0.14 0.00 -4.11 0.00 0.00 178.44 176.28 1p6t h ALA 42 N 1.73 1.34 -0.14 0.17 0.00 -1.94 -3.01 119.26 117.41 1p6t h ALA 42 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1p6t h ALA 42 Cb 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1p6t h ALA 42 CO -0.00 0.47 0.00 0.25 0.00 0.00 0.00 179.25 179.97 1p6t n THR 43 N -4.31 0.54 -3.63 0.00 -2.24 -0.25 -5.01 114.28 99.38 1p6t n THR 43 Ca 0.03 -0.77 -0.20 0.00 -2.27 0.00 0.00 64.05 60.84 1p6t n THR 43 Cb 0.20 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 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 0.34 -1.53 -3.75 -0.78 1.02 0.11 -5.03 120.64 111.02 1p6t n GLU 44 Ca 0.07 0.95 -0.20 0.00 -0.02 0.00 0.00 57.16 57.95 1p6t n GLU 44 Cb 0.30 -2.98 -0.17 0.00 -0.02 0.00 0.00 31.44 28.56 1p6t n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1p6t s THR 45 N -2.92 0.08 -0.20 2.62 2.01 -0.47 -4.54 115.64 112.24 1p6t s THR 45 Ca 0.02 0.27 -0.17 0.00 0.31 0.00 0.00 61.69 62.13 1p6t s THR 45 Cb -0.00 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1p6t s THR 45 CO 0.87 0.19 0.43 0.54 -0.69 0.00 0.00 174.62 175.96 1p6t s VAL 46 N 1.87 5.17 -0.24 3.82 0.11 0.74 0.05 120.40 131.93 1p6t s VAL 46 Ca 0.02 0.79 -0.00 0.00 -2.93 0.00 0.00 61.98 59.85 1p6t s VAL 46 Cb -0.12 -3.76 0.03 0.00 -1.53 0.00 0.00 36.38 30.99 1p6t s VAL 46 CO -0.03 0.24 -0.09 0.20 -3.33 0.00 0.00 175.10 172.08 1p6t s ASN 47 N 1.04 4.13 -0.09 3.54 0.01 0.84 -0.71 114.94 123.71 1p6t s ASN 47 Ca 0.21 -0.92 0.03 0.00 -0.71 0.00 0.00 52.86 51.47 1p6t s ASN 47 Cb -0.15 -1.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.89 1p6t s ASN 47 CO 0.09 -0.12 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.68 1p6t s VAL 48 N 1.28 2.56 -0.21 1.60 1.01 -0.11 -0.67 120.40 125.86 1p6t s VAL 48 Ca -0.01 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1p6t s VAL 48 Cb -0.17 -2.00 0.04 0.00 0.00 0.00 0.00 36.38 34.25 1p6t s VAL 48 CO -0.06 0.56 -0.16 -0.63 0.00 0.00 0.00 175.10 174.81 1p6t s ILE 49 N -0.02 2.14 0.30 2.22 1.09 0.26 -1.12 121.20 126.07 1p6t s ILE 49 Ca -0.06 -1.22 -0.16 0.00 -1.10 0.00 0.00 60.65 58.11 1p6t s ILE 49 Cb -0.15 -2.05 0.02 0.00 -1.06 0.00 0.00 42.46 39.22 1p6t s ILE 49 CO 0.05 0.30 0.65 -0.72 -0.10 0.00 0.00 174.94 175.12 1p6t s TYR 50 N 1.22 0.14 -0.12 3.97 1.13 -0.29 -0.46 117.35 122.94 1p6t s TYR 50 Ca -0.01 -0.60 -0.21 0.00 -1.41 0.00 0.00 57.07 54.84 1p6t s TYR 50 Cb -0.16 0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 41.20 1p6t s TYR 50 CO -0.09 -1.24 0.60 0.34 -2.51 0.00 0.00 175.55 172.65 1p6t s ASP 51 N -3.01 6.80 0.00 -0.18 -1.08 -0.73 -0.54 116.67 117.93 1p6t s ASP 51 Ca 0.17 0.96 0.00 0.00 -0.52 0.00 0.00 52.55 53.16 1p6t s ASP 51 Cb -0.04 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 1p6t s ASP 51 CO 0.10 -0.12 1.61 -0.81 0.52 0.00 0.00 175.17 176.47 1p6t n PRO 52 N 4.09 0.93 -0.38 4.34 -0.04 -1.26 -3.16 135.00 139.53 1p6t n PRO 52 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1p6t n PRO 52 Cb 0.51 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 1.26 1.75 0.00 0.55 0.00 -1.26 -4.94 120.51 117.88 1p6t n ALA 53 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1p6t n ALA 53 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.19 -5.07 120.64 115.40 1p6t n GLU 54 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1p6t n GLU 54 Cb 0.52 -0.57 0.00 0.00 -0.02 0.00 0.00 31.44 31.37 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 -2.06 0.00 0.00 2.62 -1.04 -1.25 -4.85 114.28 107.70 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 0.18 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 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 4.24 2.97 0.30 3.41 0.00 -1.26 -4.54 105.19 110.30 1p6t n GLY 56 Ca 0.00 -1.36 0.16 0.00 0.00 0.00 0.00 46.02 44.82 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 1.29 -0.37 -0.25 2.61 5.66 -1.26 0.22 114.28 122.17 1p6t n THR 57 Ca 0.00 1.93 -0.05 0.00 -3.05 0.00 0.00 64.05 62.89 1p6t n THR 57 Cb 0.00 -2.88 0.06 0.00 -1.55 0.00 0.00 70.33 65.96 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 1.78 0.89 -0.55 1.79 0.00 -1.90 0.29 119.26 121.57 1p6t h ALA 58 Ca 0.58 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.36 1p6t h ALA 58 Cb 1.28 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1p6t h ALA 58 CO -0.81 0.28 -0.02 0.00 0.00 0.00 0.00 179.25 178.69 1p6t h ALA 59 N 1.27 0.75 0.27 0.00 0.00 -0.47 0.77 119.26 121.85 1p6t h ALA 59 Ca 0.26 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1p6t h ALA 59 Cb -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1p6t h ALA 59 CO -0.07 0.59 -0.36 0.82 0.00 0.00 0.00 179.25 180.23 1p6t h ILE 60 N 0.87 0.27 -0.83 0.00 1.08 -0.29 0.31 117.51 118.91 1p6t h ILE 60 Ca 0.15 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.61 1p6t h ILE 60 Cb 0.57 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 1p6t h ILE 60 CO 0.03 0.00 0.47 0.06 -0.69 0.00 0.00 178.15 178.02 1p6t h GLN 61 N -0.68 1.14 -0.79 2.37 3.07 -0.92 -0.13 115.11 119.18 1p6t h GLN 61 Ca -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 58.65 58.62 1p6t h GLN 61 Cb 0.65 -0.23 -0.04 0.00 0.08 0.00 0.00 27.48 27.94 1p6t h GLN 61 CO -0.11 0.82 0.50 1.49 0.09 0.00 0.00 178.83 181.62 1p6t h GLU 62 N 1.15 1.05 -0.15 0.06 4.81 -0.35 -1.07 114.58 120.08 1p6t h GLU 62 Ca 0.30 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1p6t h GLU 62 Cb -0.00 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1p6t h GLU 62 CO -0.05 0.71 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.70 1p6t h LYS 63 N 1.07 0.28 -0.36 1.92 1.63 0.13 0.12 116.57 121.37 1p6t h LYS 63 Ca 0.29 -0.10 0.08 0.00 -0.85 0.00 0.00 60.65 60.06 1p6t h LYS 63 Cb -0.09 -0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 31.44 1p6t h LYS 63 CO -0.06 0.54 -0.28 0.82 -3.45 0.00 0.00 179.45 177.02 1p6t h ILE 64 N 0.00 0.30 -0.11 2.00 2.04 -0.88 0.28 117.51 121.14 1p6t h ILE 64 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1p6t h ILE 64 Cb 0.42 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1p6t h ILE 64 CO 0.01 0.00 0.07 -0.33 0.00 0.00 0.00 178.15 177.91 1p6t h GLU 65 N -0.23 0.15 -0.32 2.37 5.08 -0.90 -1.76 114.58 118.97 1p6t h GLU 65 Ca 0.17 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 1p6t h GLU 65 Cb 0.50 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1p6t h GLU 65 CO -0.49 0.10 0.23 0.87 -1.00 0.00 0.00 179.01 178.72 1p6t h LYS 66 N 0.15 0.01 0.00 2.33 1.57 -0.19 0.16 116.57 120.60 1p6t h LYS 66 Ca 0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1p6t h LYS 66 Cb -0.02 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1p6t h LYS 66 CO -0.01 0.01 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1p6t n LEU 67 N -4.45 0.56 -0.04 2.94 4.77 0.93 -4.89 117.00 116.83 1p6t n LEU 67 Ca 0.05 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 1p6t n LEU 67 Cb 0.39 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1p6t n LEU 67 CO 0.36 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 1p6t n GLY 68 N 0.13 0.86 3.51 -0.72 0.00 0.57 -5.06 105.19 104.48 1p6t n GLY 68 Ca 0.03 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.80 1.80 -0.07 1.61 1.51 -1.11 -4.88 117.35 114.41 1p6t s TYR 69 Ca 0.00 -1.25 -0.03 0.00 -1.01 0.00 0.00 57.07 54.78 1p6t s TYR 69 Cb 0.00 -1.17 0.04 0.00 -0.11 0.00 0.00 41.96 40.72 1p6t s TYR 69 CO 0.00 -0.26 0.15 -1.58 -1.11 0.00 0.00 175.55 172.75 1p6t s HIS 70 N -3.22 -0.17 -0.02 2.71 2.46 -0.64 -4.27 115.29 112.14 1p6t s HIS 70 Ca 0.25 0.50 -0.25 0.00 0.47 0.00 0.00 55.06 56.02 1p6t s HIS 70 Cb 0.03 -0.08 -0.04 0.00 -0.13 0.00 0.00 32.58 32.36 1p6t s HIS 70 CO 0.14 -0.17 0.79 0.14 -2.47 0.00 0.00 174.74 173.17 1p6t s VAL 71 N 1.18 4.92 -1.42 0.89 -7.23 -1.26 -0.24 120.40 117.23 1p6t s VAL 71 Ca -0.09 1.65 -0.10 0.00 -1.81 0.00 0.00 61.98 61.63 1p6t s VAL 71 Cb -0.11 -4.13 0.06 0.00 0.56 0.00 0.00 36.38 32.76 1p6t s VAL 71 CO -0.06 0.26 2.32 0.52 -0.31 0.00 0.00 175.10 177.83 1p6t n VAL 72 N 3.56 4.25 -4.27 1.32 0.31 -0.12 -4.86 118.33 118.53 1p6t n VAL 72 Ca 0.00 -3.57 -0.17 0.00 -0.01 0.00 0.00 64.34 60.59 1p6t n VAL 72 Cb 0.51 -2.44 -0.14 0.00 -0.91 0.00 0.00 33.84 30.86 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 1.31 0.59 0.01 2.52 2.01 -1.26 -4.45 115.64 116.37 1p6t s THR 73 Ca 0.51 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 62.21 1p6t s THR 73 Cb 0.15 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 1p6t s THR 73 CO -0.06 0.14 -0.16 -1.83 -0.69 0.00 0.00 174.62 172.02 1p6t s GLU 74 N -0.25 1.23 -1.10 4.92 -1.05 -1.20 -4.94 118.70 116.30 1p6t s GLU 74 Ca 0.02 -0.69 -0.20 0.00 -0.15 0.00 0.00 54.97 53.95 1p6t s GLU 74 Cb -0.03 -1.23 0.08 0.00 -0.44 0.00 0.00 34.13 32.51 1p6t s GLU 74 CO -0.00 0.33 1.48 -1.59 0.95 0.00 0.00 175.26 176.43 1p6t s LYS 75 N -0.72 3.75 0.31 -4.83 -2.85 -1.26 -2.95 119.74 111.19 1p6t s LYS 75 Ca 0.05 -1.60 -0.14 0.00 -1.00 0.00 0.00 55.97 53.29 1p6t s LYS 75 Cb -0.07 -5.32 -0.09 0.00 -2.06 0.00 0.00 37.83 30.29 1p6t s LYS 75 CO 0.00 -2.12 0.71 0.00 0.10 0.00 0.00 175.35 174.04 1p6t s ALA 76 N 4.12 3.36 -0.23 0.59 0.00 0.20 -4.87 121.76 124.93 1p6t s ALA 76 Ca 0.46 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1p6t s ALA 76 Cb 0.00 -2.71 0.04 0.00 0.00 0.00 0.00 23.12 20.45 1p6t s ALA 76 CO -0.04 0.34 -0.13 -1.21 0.00 0.00 0.00 175.76 174.72 1p6t s GLU 77 N -3.01 2.65 0.11 0.00 2.02 -1.26 -0.32 118.70 118.90 1p6t s GLU 77 Ca 0.53 -1.07 0.04 0.00 0.02 0.00 0.00 54.97 54.49 1p6t s GLU 77 Cb -0.10 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 1p6t s GLU 77 CO 0.19 -0.40 0.07 -0.06 0.02 0.00 0.00 175.26 175.08 1p6t s PHE 78 N 1.22 3.11 -0.11 1.61 0.40 0.28 -2.04 117.98 122.46 1p6t s PHE 78 Ca -0.02 0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.30 1p6t s PHE 78 Cb -0.17 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 1p6t s PHE 78 CO -0.08 0.51 -0.01 0.34 0.70 0.00 0.00 175.22 176.68 1p6t s ASP 79 N -2.61 5.08 -0.23 1.36 -1.08 0.41 -0.48 116.67 119.11 1p6t s ASP 79 Ca 0.29 0.05 -0.05 0.00 -0.52 0.00 0.00 52.55 52.32 1p6t s ASP 79 Cb -0.11 -1.54 -0.01 0.00 -1.46 0.00 0.00 42.92 39.79 1p6t s ASP 79 CO 0.21 0.31 -0.01 -0.63 0.52 0.00 0.00 175.17 175.58 1p6t s ILE 80 N -0.47 3.64 -0.75 4.11 1.01 0.18 0.19 121.20 129.10 1p6t s ILE 80 Ca 0.08 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.34 1p6t s ILE 80 Cb -0.12 -2.68 0.33 0.00 0.01 0.00 0.00 42.46 40.00 1p6t s ILE 80 CO 0.02 0.38 1.28 1.21 0.00 0.00 0.00 174.94 177.83 1p6t n GLU 81 N 4.83 4.07 0.22 2.79 2.13 -0.57 -4.44 120.64 129.67 1p6t n GLU 81 Ca -0.17 -4.79 0.00 0.00 0.66 0.00 0.00 57.16 52.85 1p6t n GLU 81 Cb 0.51 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 29.89 1p6t n GLU 81 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p6t n GLY 82 N -0.17 -1.46 3.71 8.31 0.00 -1.26 -4.33 105.19 109.98 1p6t n GLY 82 Ca 0.37 0.28 -0.43 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.47 2.70 -1.41 1.61 0.00 -1.26 -4.84 117.12 110.45 1p6t n MET 83 Ca 0.00 0.98 -0.03 0.00 0.00 0.00 0.00 57.70 58.64 1p6t n MET 83 Cb 0.00 -2.83 -0.02 0.00 0.00 0.00 0.00 33.22 30.38 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 4.08 0.06 0.00 3.17 5.66 -1.26 -5.02 114.28 120.98 1p6t n THR 84 Ca 0.17 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 1p6t n THR 84 Cb 0.35 0.72 0.00 0.00 -1.55 0.00 0.00 70.33 69.84 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 -3.00 2.72 0.00 0.00 0.00 -1.26 -4.96 120.51 114.01 1p6t n ALA 86 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 52.05 1p6t n ALA 86 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.27 0.69 -0.30 0.00 0.00 -1.26 -4.88 120.51 113.48 1p6t n ALA 87 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 1p6t n ALA 87 Cb 0.86 0.00 0.07 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 1.24 1.62 -0.32 0.00 0.00 -1.95 0.70 119.26 120.56 1p6t h ALA 89 Ca 0.29 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1p6t h ALA 89 Cb 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1p6t h ALA 89 CO -0.05 0.33 -0.45 -0.91 0.00 0.00 0.00 179.25 178.17 1p6t h ASN 90 N 0.80 0.89 0.53 0.00 2.35 -1.08 -0.11 115.58 118.96 1p6t h ASN 90 Ca 0.25 -0.43 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1p6t h ASN 90 Cb 0.02 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 1p6t h ASN 90 CO -0.07 1.21 -0.29 0.03 -1.65 0.00 0.00 177.43 176.66 1p6t h ARG 91 N 0.66 -0.74 -0.98 0.81 3.08 0.04 -2.45 114.38 114.80 1p6t h ARG 91 Ca 0.04 0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.16 1p6t h ARG 91 Cb 1.03 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 1p6t h ARG 91 CO 0.10 -0.49 0.65 -0.84 -1.07 0.00 0.00 179.97 178.32 1p6t h ILE 92 N -0.77 1.21 0.16 2.04 -0.00 -0.92 -2.92 117.51 116.32 1p6t h ILE 92 Ca -0.07 -0.44 0.01 0.00 -0.00 0.00 0.00 64.86 64.36 1p6t h ILE 92 Cb 0.61 -0.19 -0.05 0.00 -0.00 0.00 0.00 36.82 37.19 1p6t h ILE 92 CO 0.09 0.24 -0.51 -0.08 -0.00 0.00 0.00 178.15 177.88 1p6t h GLU 93 N 1.29 -0.74 -0.30 0.16 4.81 -0.89 0.19 114.58 119.10 1p6t h GLU 93 Ca 0.37 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.74 1p6t h GLU 93 Cb -0.08 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1p6t h GLU 93 CO -0.10 -0.50 0.29 0.87 -0.73 0.00 0.00 179.01 178.85 1p6t h LYS 94 N -0.77 0.00 0.00 1.92 6.56 -1.27 0.20 116.57 123.21 1p6t h LYS 94 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1p6t h LYS 94 Cb 0.77 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.43 1p6t h LYS 94 CO -0.26 0.00 0.00 0.54 -2.06 0.00 0.00 179.45 177.67 1p6t n ARG 95 N -3.90 0.00 -0.31 3.15 3.00 0.11 -4.26 116.66 114.46 1p6t n ARG 95 Ca 0.04 0.49 0.16 0.00 -0.01 0.00 0.00 57.85 58.53 1p6t n ARG 95 Cb 0.45 -1.18 0.34 0.00 0.00 0.00 0.00 32.46 32.06 1p6t n ARG 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1p6t h LEU 96 N 0.00 0.09 -0.49 0.55 4.07 0.08 -1.08 115.31 118.52 1p6t h LEU 96 Ca 0.00 0.20 0.15 0.00 0.08 0.00 0.00 57.88 58.32 1p6t h LEU 96 Cb 0.00 0.25 -0.09 0.00 1.08 0.00 0.00 40.66 41.90 1p6t h LEU 96 CO 0.00 -0.17 0.07 -3.20 -1.08 0.00 0.00 178.44 174.06 1p6t n ASN 97 N -5.21 -0.00 -2.78 -0.43 2.85 0.61 -3.08 115.26 107.23 1p6t n ASN 97 Ca 0.24 0.83 -0.07 0.00 -0.11 0.00 0.00 54.58 55.47 1p6t n ASN 97 Cb 0.76 -0.33 0.03 0.00 1.24 0.00 0.00 39.78 41.49 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 -4.45 0.67 0.16 1.20 2.85 -0.43 -4.36 118.16 113.80 1p6t n LYS 98 Ca 0.13 -1.92 -0.07 0.00 -1.05 0.00 0.00 58.31 55.41 1p6t n LYS 98 Cb 0.44 -1.47 -0.03 0.00 -0.65 0.00 0.00 35.03 33.32 1p6t n LYS 98 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1p6t h ILE 99 N 3.79 0.00 0.00 0.58 2.04 -1.44 -3.49 117.51 118.99 1p6t h ILE 99 Ca -0.05 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1p6t h ILE 99 Cb 1.06 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1p6t h ILE 99 CO 0.21 0.00 0.00 1.21 0.00 0.00 0.00 178.15 179.57 1p6t n GLU 100 N -3.63 0.00 -2.09 2.37 0.00 -1.26 -4.97 120.64 111.06 1p6t n GLU 100 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.71 1p6t n GLU 100 Cb 0.17 0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.64 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1p6t n GLY 101 N 0.04 5.60 3.41 8.31 0.00 -1.24 -3.97 105.19 117.34 1p6t n GLY 101 Ca 0.00 -2.45 -0.38 0.00 0.00 0.00 0.00 46.02 43.19 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 -4.56 4.35 0.00 1.61 1.01 -1.26 -0.84 120.40 120.72 1p6t s VAL 102 Ca 0.49 -0.46 -0.25 0.00 0.00 0.00 0.00 61.98 61.76 1p6t s VAL 102 Cb 0.36 -3.19 -0.18 0.00 0.00 0.00 0.00 36.38 33.36 1p6t s VAL 102 CO -0.32 0.12 1.33 0.00 0.00 0.00 0.00 175.10 176.23 1p6t h ALA 103 N 8.29 -0.13 -2.91 5.51 0.00 -0.45 -3.42 119.26 126.16 1p6t h ALA 103 Ca -0.33 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1p6t h ALA 103 Cb 1.15 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1p6t h ALA 103 CO 0.60 -0.39 0.01 -0.80 0.00 0.00 0.00 179.25 178.68 1p6t s ASN 104 N -5.42 -0.00 -0.49 0.00 0.01 -0.85 -4.55 114.94 103.64 1p6t s ASN 104 Ca -0.15 -0.94 0.06 0.00 -0.71 0.00 0.00 52.86 51.12 1p6t s ASN 104 Cb 0.02 0.67 0.24 0.00 0.41 0.00 0.00 41.25 42.60 1p6t s ASN 104 CO 0.63 -1.29 0.89 0.00 -1.51 0.00 0.00 177.10 175.83 1p6t n ALA 105 N -0.44 -1.29 -1.88 0.60 0.00 -1.26 -0.53 120.51 115.71 1p6t n ALA 105 Ca -0.03 -1.45 -0.41 0.00 0.00 0.00 0.00 53.44 51.55 1p6t n ALA 105 Cb 0.61 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1p6t n ALA 105 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1p6t s PRO 106 N 0.63 4.47 -0.12 0.00 0.04 -1.14 -4.65 135.00 134.23 1p6t s PRO 106 Ca 0.32 2.00 -0.03 0.00 0.04 0.00 0.00 61.00 63.32 1p6t s PRO 106 Cb 0.23 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.57 1p6t s PRO 106 CO -0.24 -0.07 -0.02 0.08 0.04 0.00 0.00 177.00 176.80 1p6t s VAL 107 N -0.63 4.12 0.13 -0.36 1.01 -1.26 -0.96 120.40 122.44 1p6t s VAL 107 Ca 0.50 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 62.14 1p6t s VAL 107 Cb -0.35 -2.77 -0.19 0.00 0.00 0.00 0.00 36.38 33.07 1p6t s VAL 107 CO 0.43 0.54 1.29 0.78 0.00 0.00 0.00 175.10 178.14 1p6t h ASN 108 N 6.01 0.54 0.00 3.32 4.21 -1.25 -3.48 115.58 124.92 1p6t h ASN 108 Ca -0.40 -0.44 0.00 0.00 1.21 0.00 0.00 56.30 56.67 1p6t h ASN 108 Cb 1.19 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.22 1p6t h ASN 108 CO 0.60 1.24 0.00 0.49 -1.29 0.00 0.00 177.43 178.47 1p6t n PHE 109 N -3.74 0.00 -0.04 1.19 3.72 -1.25 -4.39 117.46 112.95 1p6t n PHE 109 Ca -0.07 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.30 1p6t n PHE 109 Cb 0.84 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.60 1p6t n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1p6t h ALA 110 N 0.00 1.19 -0.00 4.37 0.00 -1.91 0.46 119.26 123.36 1p6t h ALA 110 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1p6t h ALA 110 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1p6t h ALA 110 CO 0.00 0.52 -0.20 1.28 0.00 0.00 0.00 179.25 180.85 1p6t n LEU 111 N -4.22 0.48 -3.49 0.00 4.77 -1.26 -4.95 117.00 108.33 1p6t n LEU 111 Ca 0.01 0.05 -0.19 0.00 -0.03 0.00 0.00 56.01 55.85 1p6t n LEU 111 Cb 0.31 -0.24 0.08 0.00 -2.33 0.00 0.00 43.42 41.24 1p6t n LEU 111 CO 0.41 0.10 0.15 -0.62 -1.33 0.00 0.00 177.39 176.09 1p6t n GLU 112 N -1.12 -6.97 -4.20 3.23 1.02 0.15 -4.93 120.64 107.82 1p6t n GLU 112 Ca 0.11 0.83 -0.18 0.00 -0.02 0.00 0.00 57.16 57.91 1p6t n GLU 112 Cb 0.31 -5.85 -0.12 0.00 -0.02 0.00 0.00 31.44 25.76 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 -3.36 0.94 -0.14 2.62 -4.23 -1.26 -0.65 115.64 109.56 1p6t s THR 113 Ca 0.18 -1.09 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 1p6t s THR 113 Cb -0.08 -0.90 0.01 0.00 1.34 0.00 0.00 72.50 72.87 1p6t s THR 113 CO 0.73 -0.16 -0.21 0.54 -0.54 0.00 0.00 174.62 174.97 1p6t s VAL 114 N -1.09 2.13 0.08 2.29 0.11 0.37 -0.61 120.40 123.68 1p6t s VAL 114 Ca -0.02 -0.96 -0.26 0.00 -2.93 0.00 0.00 61.98 57.80 1p6t s VAL 114 Cb -0.09 -1.85 -0.06 0.00 -1.53 0.00 0.00 36.38 32.85 1p6t s VAL 114 CO 0.01 0.55 0.81 -0.89 -3.33 0.00 0.00 175.10 172.25 1p6t s THR 115 N 0.76 4.62 -0.18 5.04 2.01 -0.13 -0.55 115.64 127.20 1p6t s THR 115 Ca -0.08 1.74 0.01 0.00 0.31 0.00 0.00 61.69 63.67 1p6t s THR 115 Cb -0.16 -4.17 0.03 0.00 0.01 0.00 0.00 72.50 68.21 1p6t s THR 115 CO -0.01 0.38 -0.17 0.54 -0.69 0.00 0.00 174.62 174.68 1p6t s VAL 116 N -0.23 1.92 -0.65 3.82 0.11 0.56 -2.88 120.40 123.05 1p6t s VAL 116 Ca 0.40 -0.96 -0.15 0.00 -2.93 0.00 0.00 61.98 58.34 1p6t s VAL 116 Cb -0.22 -1.80 0.17 0.00 -1.53 0.00 0.00 36.38 33.00 1p6t s VAL 116 CO 0.25 0.42 0.60 -1.61 -3.33 0.00 0.00 175.10 171.43 1p6t s GLU 117 N 1.33 3.23 0.06 1.54 2.02 0.31 -0.63 118.70 126.56 1p6t s GLU 117 Ca 0.03 -2.01 -0.03 0.00 0.02 0.00 0.00 54.97 52.98 1p6t s GLU 117 Cb -0.14 -4.35 -0.03 0.00 0.10 0.00 0.00 34.13 29.72 1p6t s GLU 117 CO -0.11 -1.31 0.04 1.52 0.02 0.00 0.00 175.26 175.41 1p6t s TYR 118 N 1.03 0.40 -0.50 1.61 1.13 -1.15 0.26 117.35 120.13 1p6t s TYR 118 Ca 0.09 -0.90 -0.25 0.00 -1.41 0.00 0.00 57.07 54.60 1p6t s TYR 118 Cb -0.22 -0.28 0.03 0.00 -1.10 0.00 0.00 41.96 40.39 1p6t s TYR 118 CO -0.02 -0.42 0.95 1.21 -2.51 0.00 0.00 175.55 174.76 1p6t s ASN 119 N -2.84 6.44 0.00 -0.18 2.47 -0.02 -3.28 114.94 117.53 1p6t s ASN 119 Ca 0.05 -0.05 0.09 0.00 0.42 0.00 0.00 52.86 53.37 1p6t s ASN 119 Cb 0.06 -2.45 0.52 0.00 -1.45 0.00 0.00 41.25 37.93 1p6t s ASN 119 CO -0.10 -1.15 1.04 -0.81 -3.72 0.00 0.00 177.10 172.36 1p6t n PRO 120 N 7.37 0.62 -0.06 0.43 -0.04 -1.26 -1.64 135.00 140.41 1p6t n PRO 120 Ca 0.05 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.32 1p6t n PRO 120 Cb 0.48 -1.22 -0.13 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.72 0.70 0.07 0.54 -0.00 -1.26 -4.54 118.16 112.95 1p6t n LYS 121 Ca 0.07 0.20 -0.16 0.00 -0.00 0.00 0.00 58.31 58.42 1p6t n LYS 121 Cb 0.03 -1.62 -0.14 0.00 -0.00 0.00 0.00 35.03 33.30 1p6t n LYS 121 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1p6t h GLU 122 N 0.03 0.24 0.00 -1.58 3.07 -1.69 -3.48 114.58 111.17 1p6t h GLU 122 Ca -0.49 -0.41 -0.36 0.00 -0.50 0.00 0.00 59.36 57.61 1p6t h GLU 122 Cb 1.99 0.15 -0.09 0.00 -0.84 0.00 0.00 28.75 29.96 1p6t h GLU 122 CO 0.01 1.13 -0.33 0.00 -1.40 0.00 0.00 179.01 178.41 1p6t n ALA 123 N -2.60 0.47 -3.68 3.43 0.00 -0.80 -4.91 120.51 112.41 1p6t n ALA 123 Ca -0.13 -1.40 -0.09 0.00 0.00 0.00 0.00 53.44 51.82 1p6t n ALA 123 Cb 1.03 1.06 -0.01 0.00 0.00 0.00 0.00 19.45 21.54 1p6t n ALA 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1p6t s SER 124 N -2.69 -0.04 0.42 0.00 0.15 -1.26 -4.24 113.70 106.04 1p6t s SER 124 Ca 0.23 -0.93 0.22 0.00 0.70 0.00 0.00 55.95 56.17 1p6t s SER 124 Cb 0.01 0.76 1.21 0.00 -1.71 0.00 0.00 66.02 66.28 1p6t s SER 124 CO 0.16 -1.46 1.74 -0.37 1.20 0.00 0.00 173.24 174.52 1p6t h VAL 125 N 2.04 0.43 -0.91 4.45 -1.51 -1.99 0.19 116.25 118.94 1p6t h VAL 125 Ca -0.26 -0.10 0.18 0.00 -1.23 0.00 0.00 66.70 65.29 1p6t h VAL 125 Cb 1.25 0.11 -0.10 0.00 -2.13 0.00 0.00 31.29 30.41 1p6t h VAL 125 CO 0.33 0.05 0.49 0.28 -1.23 0.00 0.00 177.57 177.50 1p6t h SER 126 N 0.30 0.59 -0.39 4.19 0.02 -1.98 0.19 113.55 116.46 1p6t h SER 126 Ca 0.64 0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 61.57 1p6t h SER 126 Cb 1.79 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.33 1p6t h SER 126 CO -0.30 0.20 -0.23 -0.78 -1.14 0.00 0.00 176.83 174.57 1p6t h ASP 127 N 0.63 0.88 -0.47 3.07 3.58 -1.04 -0.59 116.42 122.49 1p6t h ASP 127 Ca 0.52 -0.42 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 1p6t h ASP 127 Cb 0.82 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 1p6t h ASP 127 CO -0.40 1.11 0.17 -0.07 -2.88 0.00 0.00 179.24 177.17 1p6t h LEU 128 N 0.65 0.67 0.41 2.28 3.38 -1.14 0.22 115.31 121.77 1p6t h LEU 128 Ca 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1p6t h LEU 128 Cb 0.80 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1p6t h LEU 128 CO 0.07 0.68 -0.49 0.11 0.09 0.00 0.00 178.44 178.89 1p6t h LYS 129 N 0.62 -0.89 -0.69 1.13 1.79 -0.57 0.13 116.57 118.09 1p6t h LYS 129 Ca 0.15 0.06 0.14 0.00 -2.18 0.00 0.00 60.65 58.83 1p6t h LYS 129 Cb 0.23 0.20 -0.10 0.00 -1.58 0.00 0.00 32.23 30.98 1p6t h LYS 129 CO -0.01 -0.59 0.14 0.93 -1.08 0.00 0.00 179.45 178.84 1p6t h GLU 130 N -0.92 0.24 -0.31 3.15 4.39 -0.74 0.13 114.58 120.52 1p6t h GLU 130 Ca -0.05 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 1p6t h GLU 130 Cb 0.82 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1p6t h GLU 130 CO -0.11 0.16 0.05 0.00 -1.16 0.00 0.00 179.01 177.95 1p6t h ALA 131 N 1.57 0.41 -0.31 3.43 0.00 -0.31 0.29 119.26 124.34 1p6t h ALA 131 Ca 0.38 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 1p6t h ALA 131 Cb 0.62 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1p6t h ALA 131 CO -0.49 0.11 -0.50 -0.24 0.00 0.00 0.00 179.25 178.14 1p6t h VAL 132 N 0.34 1.27 -0.89 0.00 3.04 0.01 -2.91 116.25 117.12 1p6t h VAL 132 Ca 0.09 -1.68 0.01 0.00 -1.01 0.00 0.00 66.70 64.11 1p6t h VAL 132 Cb 0.35 1.57 -0.04 0.00 -2.01 0.00 0.00 31.29 31.16 1p6t h VAL 132 CO 0.01 0.55 0.58 0.44 -1.01 0.00 0.00 177.57 178.14 1p6t h ASP 133 N 0.68 1.03 -0.28 3.17 3.32 -0.66 0.80 116.42 124.47 1p6t h ASP 133 Ca 0.03 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.13 1p6t h ASP 133 Cb 1.10 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1p6t h ASP 133 CO 0.11 0.76 0.23 0.11 -1.72 0.00 0.00 179.24 178.72 1p6t h LYS 134 N 1.22 0.00 0.11 3.56 1.79 -0.74 -1.15 116.57 121.36 1p6t h LYS 134 Ca 0.33 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.65 1p6t h LYS 134 Cb -0.13 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.54 1p6t h LYS 134 CO -0.07 0.00 -0.66 -0.07 -1.08 0.00 0.00 179.45 177.57 1p6t h LEU 135 N 0.00 0.38 0.00 2.94 -0.00 -0.87 -3.49 115.31 114.27 1p6t h LEU 135 Ca 0.13 -0.96 0.00 0.00 -0.00 0.00 0.00 57.88 57.05 1p6t h LEU 135 Cb 0.58 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1p6t h LEU 135 CO -0.00 1.32 0.00 0.61 -0.00 0.00 0.00 178.44 180.37 1p6t n GLY 136 N 1.65 0.72 2.98 0.83 0.00 0.06 -5.13 105.19 106.29 1p6t n GLY 136 Ca -0.13 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 -0.85 -4.03 1.61 4.01 -1.10 -5.01 117.16 111.78 1p6t n TYR 137 Ca 0.00 -2.51 -0.15 0.00 -0.16 0.00 0.00 57.90 55.08 1p6t n TYR 137 Cb 0.00 0.31 -0.15 0.00 -0.31 0.00 0.00 39.34 39.20 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 -3.16 0.28 0.06 -0.72 -2.85 -1.26 -3.69 119.74 108.40 1p6t s LYS 138 Ca 0.35 -0.08 -0.02 0.00 -1.00 0.00 0.00 55.97 55.21 1p6t s LYS 138 Cb 0.01 -0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 35.43 1p6t s LYS 138 CO 0.25 0.03 0.25 -0.51 0.10 0.00 0.00 175.35 175.47 1p6t s LEU 139 N 0.13 4.34 0.38 2.77 1.43 -1.26 -1.52 118.68 124.96 1p6t s LEU 139 Ca -0.01 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.52 1p6t s LEU 139 Cb -0.04 -2.93 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 1p6t s LEU 139 CO -0.00 0.17 0.07 -0.54 0.23 0.00 0.00 176.35 176.28 1p6t s LYS 140 N -2.33 1.84 -0.13 1.70 1.02 0.13 -4.94 119.74 117.02 1p6t s LYS 140 Ca 0.34 -2.08 0.01 0.00 0.02 0.00 0.00 55.97 54.26 1p6t s LYS 140 Cb -0.13 -0.93 -0.01 0.00 -0.52 0.00 0.00 37.83 36.25 1p6t s LYS 140 CO 0.24 -0.30 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.70 1p6t s LEU 141 N -3.59 2.54 -1.29 3.17 1.02 -1.26 -0.45 118.68 118.81 1p6t s LEU 141 Ca 0.28 -0.40 -0.16 0.00 0.02 0.00 0.00 54.13 53.87 1p6t s LEU 141 Cb 0.06 -1.56 0.09 0.00 0.02 0.00 0.00 46.19 44.80 1p6t s LEU 141 CO 0.14 0.15 1.72 0.29 0.02 0.00 0.00 176.35 178.67 1p6t n LYS 142 N 3.61 3.22 0.00 1.70 5.02 -0.87 -4.63 118.16 126.21 1p6t n LYS 142 Ca -0.18 -3.36 0.00 0.00 -2.02 0.00 0.00 58.31 52.75 1p6t n LYS 142 Cb 0.53 -3.36 0.00 0.00 -0.02 0.00 0.00 35.03 32.17 1p6t n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p6t n GLY 143 N 4.92 1.51 4.00 0.72 0.00 -1.26 -4.71 105.19 110.37 1p6t n GLY 143 Ca 0.46 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.09 0.00 1.61 1.02 -1.26 -4.44 120.64 114.48 1p6t n GLU 144 Ca 0.00 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1p6t n GLU 144 Cb 0.00 -4.47 0.00 0.00 -0.02 0.00 0.00 31.44 26.95 1p6t n GLU 144 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1p6t n GLN 145 N -4.42 0.00 -2.88 3.49 -0.06 -1.26 -5.06 117.38 107.19 1p6t n GLN 145 Ca -0.29 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 54.68 1p6t n GLN 145 Cb 0.68 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.84 1p6t n GLN 145 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1p6t n ASP 146 N 0.00 -4.52 -2.14 1.69 -0.08 -1.26 -0.79 116.55 109.45 1p6t n ASP 146 Ca 0.00 1.12 -0.18 0.00 -1.51 0.00 0.00 54.79 54.22 1p6t n ASP 146 Cb 0.00 -3.17 -0.03 0.00 2.34 0.00 0.00 41.12 40.26 1p6t n ASP 146 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1p6t n SER 147 N 2.15 -5.15 -3.56 1.67 7.64 -1.26 -1.69 113.62 113.42 1p6t n SER 147 Ca -0.18 0.17 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1p6t n SER 147 Cb 0.29 -4.40 0.05 0.00 -1.01 0.00 0.00 64.21 59.15 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 -3.31 -5.80 -2.44 0.44 5.41 -1.24 -4.95 119.36 107.47 1p6t n ILE 148 Ca -0.21 -0.71 -0.42 0.00 1.00 0.00 0.00 62.75 62.42 1p6t n ILE 148 Cb 0.64 -4.59 -0.02 0.00 -0.71 0.00 0.00 39.64 34.96 1p6t n ILE 148 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1p6t s GLU 149 N -5.57 3.41 0.00 0.38 2.12 0.03 -4.59 118.70 114.47 1p6t s GLU 149 Ca 0.14 0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.95 1p6t s GLU 149 Cb -0.03 -4.08 0.00 0.00 0.26 0.00 0.00 34.13 30.28 1p6t s GLU 149 CO 0.79 -1.81 0.00 0.41 -0.54 0.00 0.00 175.26 174.11 1p6t n GLY 150 N 5.17 -1.98 0.00 -1.50 0.00 -1.26 -4.83 105.19 100.79 1p6t n GLY 150 Ca 0.12 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19