#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6t s LEU 2 N 0.00 3.19 -0.37 -0.89 0.05 -1.26 -4.57 118.68 114.83 1p6t s LEU 2 Ca 0.00 -0.43 0.05 0.00 0.05 0.00 0.00 54.13 53.80 1p6t s LEU 2 Cb 0.00 -2.55 0.26 0.00 -2.05 0.00 0.00 46.19 41.85 1p6t s LEU 2 CO 0.00 -2.68 1.23 -0.24 -0.55 0.00 0.00 176.35 174.11 1p6t n SER 3 N 13.76 -1.61 -2.52 1.48 2.88 -1.26 -5.01 113.62 121.36 1p6t n SER 3 Ca 0.36 -2.31 -0.25 0.00 -1.33 0.00 0.00 58.87 55.33 1p6t n SER 3 Cb 0.48 1.22 0.00 0.00 -0.75 0.00 0.00 64.21 65.16 1p6t n SER 3 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1p6t n GLU 4 N -0.16 3.21 -2.11 -1.46 2.13 -1.26 -5.08 120.64 115.90 1p6t n GLU 4 Ca -0.10 -4.41 -0.40 0.00 0.66 0.00 0.00 57.16 52.92 1p6t n GLU 4 Cb 0.74 -2.16 -0.02 0.00 0.27 0.00 0.00 31.44 30.28 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 -3.50 4.19 0.38 5.31 -1.52 -1.26 -4.36 119.66 118.90 1p6t s GLN 5 Ca 0.46 2.15 0.08 0.00 -1.95 0.00 0.00 55.36 56.10 1p6t s GLN 5 Cb 0.40 -2.92 -0.03 0.00 -0.22 0.00 0.00 33.01 30.24 1p6t s GLN 5 CO -0.17 -0.30 0.29 -1.59 -0.25 0.00 0.00 175.29 173.28 1p6t s LYS 6 N -1.99 2.54 -0.02 2.91 -2.85 -0.65 -4.95 119.74 114.72 1p6t s LYS 6 Ca 0.52 -1.49 0.07 0.00 -1.00 0.00 0.00 55.97 54.07 1p6t s LYS 6 Cb -0.38 -2.34 -0.02 0.00 -2.06 0.00 0.00 37.83 33.03 1p6t s LYS 6 CO 0.50 -0.05 -0.23 -1.21 0.10 0.00 0.00 175.35 174.47 1p6t s GLU 7 N -4.02 2.18 -0.07 1.78 8.01 -1.26 -2.26 118.70 123.06 1p6t s GLU 7 Ca 0.44 -0.89 0.00 0.00 0.01 0.00 0.00 54.97 54.53 1p6t s GLU 7 Cb -0.03 -2.13 0.02 0.00 -4.31 0.00 0.00 34.13 27.69 1p6t s GLU 7 CO 0.26 0.57 -0.04 -1.50 0.01 0.00 0.00 175.26 174.56 1p6t s ILE 8 N -0.67 0.63 -0.16 -1.63 2.07 -0.32 -4.88 121.20 116.23 1p6t s ILE 8 Ca 0.11 -0.11 -0.02 0.00 -1.41 0.00 0.00 60.65 59.22 1p6t s ILE 8 Cb -0.10 -0.68 -0.02 0.00 0.13 0.00 0.00 42.46 41.79 1p6t s ILE 8 CO -0.00 0.27 -0.08 0.00 -1.91 0.00 0.00 174.94 173.22 1p6t s ALA 9 N 1.36 2.79 0.10 1.50 0.00 -1.26 -0.76 121.76 125.49 1p6t s ALA 9 Ca -0.04 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 1p6t s ALA 9 Cb -0.13 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 1p6t s ALA 9 CO -0.03 0.07 0.16 -1.64 0.00 0.00 0.00 175.76 174.33 1p6t s MET 10 N 0.63 0.87 0.14 0.00 -1.94 0.30 -3.52 119.30 115.78 1p6t s MET 10 Ca -0.05 -1.07 -0.15 0.00 -1.71 0.00 0.00 55.69 52.72 1p6t s MET 10 Cb -0.15 0.32 -0.07 0.00 2.01 0.00 0.00 34.83 36.94 1p6t s MET 10 CO 0.03 -0.27 0.55 -0.65 -0.01 0.00 0.00 175.02 174.66 1p6t s GLN 11 N -3.90 4.00 0.06 2.03 -0.21 -1.26 0.14 119.66 120.51 1p6t s GLN 11 Ca 0.09 0.51 0.04 0.00 0.02 0.00 0.00 55.36 56.02 1p6t s GLN 11 Cb 0.05 -2.96 -0.03 0.00 1.00 0.00 0.00 33.01 31.07 1p6t s GLN 11 CO -0.08 0.50 -0.12 0.54 -2.12 0.00 0.00 175.29 174.01 1p6t s VAL 12 N -1.43 0.90 0.37 1.09 0.11 -1.16 -0.81 120.40 119.48 1p6t s VAL 12 Ca 0.37 -1.25 0.08 0.00 -2.93 0.00 0.00 61.98 58.25 1p6t s VAL 12 Cb -0.15 -0.93 -0.05 0.00 -1.53 0.00 0.00 36.38 33.72 1p6t s VAL 12 CO 0.19 -0.30 0.12 -0.44 -3.33 0.00 0.00 175.10 171.34 1p6t s SER 13 N -1.73 4.40 0.00 3.54 0.01 0.42 -4.62 113.70 115.72 1p6t s SER 13 Ca -0.04 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.23 1p6t s SER 13 Cb -0.10 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.58 1p6t s SER 13 CO 0.01 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1p6t n GLY 14 N -1.13 1.90 3.55 3.44 0.00 -1.26 -3.54 105.19 108.16 1p6t n GLY 14 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1p6t n GLY 14 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1p6t s MET 15 N -0.08 2.03 0.12 1.61 0.00 -1.26 -4.78 119.30 116.94 1p6t s MET 15 Ca 0.00 0.86 0.26 0.00 0.00 0.00 0.00 55.69 56.81 1p6t s MET 15 Cb 0.00 -4.67 0.80 0.00 0.00 0.00 0.00 34.83 30.96 1p6t s MET 15 CO 0.00 -3.61 1.69 2.41 0.00 0.00 0.00 175.02 175.51 1p6t n THR 16 N 8.15 0.34 -3.45 10.11 -1.04 -1.26 -4.92 114.28 122.22 1p6t n THR 16 Ca 0.38 -0.19 -0.20 0.00 -2.04 0.00 0.00 64.05 62.00 1p6t n THR 16 Cb 0.50 -0.40 0.07 0.00 -1.82 0.00 0.00 70.33 68.69 1p6t n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p6t s ALA 18 N -3.29 -1.49 0.00 0.00 0.00 -1.26 -4.94 121.76 110.78 1p6t s ALA 18 Ca 0.45 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1p6t s ALA 18 Cb -0.20 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1p6t s ALA 18 CO 0.65 -2.18 0.00 0.00 0.00 0.00 0.00 175.76 174.23 1p6t n ALA 19 N 4.33 0.00 0.52 0.00 0.00 -1.26 -4.76 120.51 119.34 1p6t n ALA 19 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.35 1p6t n ALA 19 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.38 -0.44 -0.90 0.00 0.00 -1.94 -1.44 119.26 113.17 1p6t h ALA 21 Ca -0.14 0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1p6t h ALA 21 Cb 1.02 1.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.75 1p6t h ALA 21 CO 0.22 -0.88 0.59 0.00 0.00 0.00 0.00 179.25 179.17 1p6t h ALA 22 N 0.46 1.54 -0.39 0.00 0.00 -1.81 0.13 119.26 119.19 1p6t h ALA 22 Ca 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1p6t h ALA 22 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1p6t h ALA 22 CO -0.67 0.32 -0.01 0.00 0.00 0.00 0.00 179.25 178.89 1p6t h ARG 23 N 1.00 0.69 0.28 0.00 2.47 0.39 0.14 114.38 119.35 1p6t h ARG 23 Ca 0.39 -0.23 -0.01 0.00 -1.26 0.00 0.00 59.98 58.88 1p6t h ARG 23 Cb 0.24 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1p6t h ARG 23 CO -0.15 0.79 -0.13 0.82 0.56 0.00 0.00 179.97 181.85 1p6t h ILE 24 N 0.51 0.76 -0.26 2.04 2.04 -0.11 0.16 117.51 122.65 1p6t h ILE 24 Ca 0.11 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.64 1p6t h ILE 24 Cb 0.49 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 1p6t h ILE 24 CO 0.02 0.08 -0.14 -0.33 0.00 0.00 0.00 178.15 177.78 1p6t h GLU 25 N -0.58 -0.11 -0.25 2.37 5.08 -0.74 0.24 114.58 120.59 1p6t h GLU 25 Ca -0.04 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1p6t h GLU 25 Cb 0.42 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1p6t h GLU 25 CO 0.06 -0.08 0.08 -0.22 -1.00 0.00 0.00 179.01 177.86 1p6t h LYS 26 N -0.12 0.39 -0.92 2.33 3.64 -0.69 0.12 116.57 121.32 1p6t h LYS 26 Ca 0.14 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1p6t h LYS 26 Cb 0.33 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 1p6t h LYS 26 CO -0.33 0.46 0.59 0.78 -2.27 0.00 0.00 179.45 178.68 1p6t h GLY 27 N 0.25 1.35 0.71 5.01 0.00 -0.11 -1.30 103.07 108.98 1p6t h GLY 27 Ca 0.08 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 1p6t h GLY 27 CO -0.00 0.37 -0.22 1.41 0.00 0.00 0.00 176.54 178.09 1p6t h LEU 28 N 1.13 0.39 -2.01 3.11 -0.00 -0.33 -3.04 115.31 114.55 1p6t h LEU 28 Ca 0.37 -0.56 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1p6t h LEU 28 Cb 0.04 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 1p6t h LEU 28 CO -0.13 0.87 0.03 0.11 -0.00 0.00 0.00 178.44 179.32 1p6t h LYS 29 N -0.08 0.00 -0.68 1.13 1.57 -0.40 0.12 116.57 118.23 1p6t h LYS 29 Ca 0.00 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1p6t h LYS 29 Cb 0.81 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 1p6t h LYS 29 CO 0.05 0.00 0.46 -0.09 -0.57 0.00 0.00 179.45 179.29 1p6t h ARG 30 N 0.00 0.40 -7.06 3.15 9.65 -1.12 -3.44 114.38 115.95 1p6t h ARG 30 Ca 0.00 -0.02 -0.48 0.00 -1.10 0.00 0.00 59.98 58.37 1p6t h ARG 30 Cb 0.06 -0.09 0.04 0.00 -1.39 0.00 0.00 29.97 28.59 1p6t h ARG 30 CO 0.00 0.26 0.41 -1.64 2.80 0.00 0.00 179.97 181.80 1p6t s MET 31 N -5.39 3.67 0.06 0.20 -1.94 0.42 -4.99 119.30 111.32 1p6t s MET 31 Ca -0.08 1.49 -0.18 0.00 -1.71 0.00 0.00 55.69 55.21 1p6t s MET 31 Cb 0.20 -2.12 -0.12 0.00 2.01 0.00 0.00 34.83 34.81 1p6t s MET 31 CO 0.76 -0.56 1.39 -1.00 -0.01 0.00 0.00 175.02 175.59 1p6t h PRO 32 N 1.54 0.48 0.00 2.03 0.13 -1.87 -3.26 132.00 131.05 1p6t h PRO 32 Ca -0.50 -0.24 -0.07 0.00 -0.87 0.00 0.00 66.00 64.32 1p6t h PRO 32 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1p6t h PRO 32 CO 0.59 0.81 -0.32 0.78 -0.23 0.00 0.00 178.00 179.62 1p6t h GLY 33 N 0.16 0.00 -7.02 1.56 0.00 -1.89 -3.42 103.07 92.47 1p6t h GLY 33 Ca 0.04 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.78 1p6t h GLY 33 CO 0.05 0.00 1.50 -0.62 0.00 0.00 0.00 176.54 177.47 1p6t n VAL 34 N -3.93 0.30 -0.07 4.60 0.31 -1.23 -0.94 118.33 117.36 1p6t n VAL 34 Ca -0.02 -0.47 -0.13 0.00 -0.01 0.00 0.00 64.34 63.71 1p6t n VAL 34 Cb 0.39 -2.49 -0.11 0.00 -0.91 0.00 0.00 33.84 30.72 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 7.20 1.48 -3.40 2.52 2.02 -0.97 -3.48 112.91 118.29 1p6t h THR 35 Ca -0.38 -2.17 -0.09 0.00 0.77 0.00 0.00 66.41 64.54 1p6t h THR 35 Cb 1.25 2.86 -0.16 0.00 -1.74 0.00 0.00 68.15 70.36 1p6t h THR 35 CO 0.98 0.50 -0.26 -0.62 0.37 0.00 0.00 175.52 176.49 1p6t s ASP 36 N -6.22 -0.09 -0.15 4.18 2.15 -0.45 -5.03 116.67 111.06 1p6t s ASP 36 Ca -0.18 -0.28 -0.00 0.00 0.43 0.00 0.00 52.55 52.51 1p6t s ASP 36 Cb -0.02 0.36 0.04 0.00 -0.30 0.00 0.00 42.92 43.00 1p6t s ASP 36 CO 0.60 -0.65 -0.06 0.00 -0.17 0.00 0.00 175.17 174.89 1p6t s ALA 37 N -2.86 1.45 0.26 3.66 0.00 -1.26 -0.44 121.76 122.57 1p6t s ALA 37 Ca -0.03 -0.76 0.11 0.00 0.00 0.00 0.00 51.96 51.28 1p6t s ALA 37 Cb 0.00 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 1p6t s ALA 37 CO -0.05 -0.68 -0.17 -0.80 0.00 0.00 0.00 175.76 174.05 1p6t s ASN 38 N 1.65 3.30 -0.22 0.00 0.02 0.20 -4.83 114.94 115.06 1p6t s ASN 38 Ca 0.02 -1.04 -0.03 0.00 -1.02 0.00 0.00 52.86 50.78 1p6t s ASN 38 Cb -0.14 -0.25 0.11 0.00 0.02 0.00 0.00 41.25 40.99 1p6t s ASN 38 CO -0.08 -0.04 0.31 0.54 0.02 0.00 0.00 177.10 177.85 1p6t s VAL 39 N -2.66 -0.49 -1.40 1.60 0.11 -1.26 -0.37 120.40 115.93 1p6t s VAL 39 Ca 0.28 -0.07 -0.14 0.00 -2.93 0.00 0.00 61.98 59.12 1p6t s VAL 39 Cb -0.03 -0.74 0.06 0.00 -1.53 0.00 0.00 36.38 34.14 1p6t s VAL 39 CO 0.13 -0.14 2.08 -3.20 -3.33 0.00 0.00 175.10 170.63 1p6t n ASN 40 N 5.35 4.24 -0.04 3.54 5.15 0.14 -4.74 115.26 128.89 1p6t n ASN 40 Ca -0.05 -2.89 0.24 0.00 -0.60 0.00 0.00 54.58 51.29 1p6t n ASN 40 Cb 0.50 -1.66 0.72 0.00 -0.53 0.00 0.00 39.78 38.81 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 10.32 0.00 -1.50 1.20 8.10 -1.92 0.12 115.31 131.62 1p6t h LEU 41 Ca 0.52 0.00 0.14 0.00 0.11 0.00 0.00 57.88 58.66 1p6t h LEU 41 Cb 0.69 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.86 1p6t h LEU 41 CO 1.76 0.00 0.52 0.00 -4.11 0.00 0.00 178.44 176.61 1p6t h ALA 42 N 1.55 2.03 -0.10 0.17 0.00 -1.95 -1.24 119.26 119.72 1p6t h ALA 42 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1p6t h ALA 42 Cb 1.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1p6t h ALA 42 CO -0.00 -0.24 0.00 0.25 0.00 0.00 0.00 179.25 179.26 1p6t n THR 43 N -4.50 1.34 -4.07 0.00 -2.24 0.26 -5.00 114.28 100.07 1p6t n THR 43 Ca 0.15 -1.37 -0.32 0.00 -2.27 0.00 0.00 64.05 60.24 1p6t n THR 43 Cb 0.50 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.98 1p6t n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1p6t n GLU 44 N -0.49 -3.74 -3.90 -0.78 1.02 -0.35 -4.97 120.64 107.44 1p6t n GLU 44 Ca 0.08 0.43 -0.35 0.00 -0.02 0.00 0.00 57.16 57.31 1p6t n GLU 44 Cb 0.44 -5.02 -0.14 0.00 -0.02 0.00 0.00 31.44 26.71 1p6t n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1p6t s THR 45 N -3.50 3.12 0.05 2.62 2.01 -0.62 -2.96 115.64 116.37 1p6t s THR 45 Ca 0.49 -1.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.09 1p6t s THR 45 Cb -0.26 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 1p6t s THR 45 CO 0.89 0.03 0.85 0.54 -0.69 0.00 0.00 174.62 176.25 1p6t s VAL 46 N 1.32 4.72 -0.24 3.82 0.11 0.12 0.24 120.40 130.48 1p6t s VAL 46 Ca -0.02 1.81 -0.01 0.00 -2.93 0.00 0.00 61.98 60.83 1p6t s VAL 46 Cb -0.18 -4.20 0.07 0.00 -1.53 0.00 0.00 36.38 30.54 1p6t s VAL 46 CO -0.02 0.31 0.01 0.20 -3.33 0.00 0.00 175.10 172.27 1p6t s ASN 47 N 0.21 3.61 -0.15 3.54 0.01 0.50 -0.54 114.94 122.13 1p6t s ASN 47 Ca 0.43 -1.20 -0.03 0.00 -0.71 0.00 0.00 52.86 51.35 1p6t s ASN 47 Cb -0.21 -0.94 -0.03 0.00 0.41 0.00 0.00 41.25 40.49 1p6t s ASN 47 CO 0.25 -0.30 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.79 1p6t s VAL 48 N 1.58 3.74 -0.22 1.60 1.01 0.06 -0.63 120.40 127.54 1p6t s VAL 48 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1p6t s VAL 48 Cb -0.18 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1p6t s VAL 48 CO -0.11 0.50 -0.10 -0.63 0.00 0.00 0.00 175.10 174.77 1p6t s ILE 49 N 0.29 2.72 0.29 2.22 1.01 0.42 -1.17 121.20 126.98 1p6t s ILE 49 Ca -0.05 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 59.53 1p6t s ILE 49 Cb -0.14 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.04 1p6t s ILE 49 CO 0.03 0.33 0.63 -0.72 0.00 0.00 0.00 174.94 175.22 1p6t s TYR 50 N 1.34 0.13 -0.17 3.97 1.13 -0.96 -0.39 117.35 122.41 1p6t s TYR 50 Ca 0.02 -0.58 -0.22 0.00 -1.41 0.00 0.00 57.07 54.88 1p6t s TYR 50 Cb -0.15 0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 41.18 1p6t s TYR 50 CO -0.07 -1.20 0.67 0.34 -2.51 0.00 0.00 175.55 172.78 1p6t s ASP 51 N -3.00 6.78 0.00 -0.18 -1.08 -0.12 -1.64 116.67 117.44 1p6t s ASP 51 Ca 0.17 0.95 -0.01 0.00 -0.52 0.00 0.00 52.55 53.14 1p6t s ASP 51 Cb -0.04 -2.38 -0.07 0.00 -1.46 0.00 0.00 42.92 38.98 1p6t s ASP 51 CO 0.09 -0.26 2.08 -0.81 0.52 0.00 0.00 175.17 176.79 1p6t n PRO 52 N 4.83 1.07 -0.87 4.34 -0.04 -1.26 -3.33 135.00 139.74 1p6t n PRO 52 Ca -0.00 -0.25 -0.05 0.00 -0.04 0.00 0.00 63.50 63.16 1p6t n PRO 52 Cb 0.50 -1.33 -0.05 0.00 -0.04 0.00 0.00 33.50 32.57 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 1.89 2.64 0.00 0.55 0.00 -1.26 -4.92 120.51 119.40 1p6t n ALA 53 Ca 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1p6t n ALA 53 Cb 0.52 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1p6t n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1p6t n GLU 54 N 0.00 0.00 0.00 0.00 1.02 -1.21 -5.07 120.64 115.38 1p6t n GLU 54 Ca -0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1p6t n GLU 54 Cb 0.60 -0.14 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 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 -1.96 0.00 0.00 2.62 -1.04 -1.24 -4.82 114.28 107.84 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 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 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 4.13 3.27 0.27 3.41 0.00 -1.26 -4.72 105.19 110.28 1p6t n GLY 56 Ca 0.00 -1.24 0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 0.66 -0.32 -0.33 2.61 5.66 -1.26 0.09 114.28 121.39 1p6t n THR 57 Ca 0.00 1.70 0.02 0.00 -3.05 0.00 0.00 64.05 62.72 1p6t n THR 57 Cb 0.00 -2.48 0.16 0.00 -1.55 0.00 0.00 70.33 66.46 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 1.54 1.27 -0.07 1.79 0.00 -1.91 0.37 119.26 122.25 1p6t h ALA 58 Ca 0.46 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 1p6t h ALA 58 Cb 0.95 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1p6t h ALA 58 CO -0.73 0.34 -0.42 0.00 0.00 0.00 0.00 179.25 178.45 1p6t h ALA 59 N 1.43 1.18 0.49 0.00 0.00 -0.63 0.18 119.26 121.91 1p6t h ALA 59 Ca 0.40 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1p6t h ALA 59 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1p6t h ALA 59 CO -0.18 0.57 -0.23 0.82 0.00 0.00 0.00 179.25 180.23 1p6t h ILE 60 N 0.12 0.46 -1.01 0.00 1.08 -0.69 0.00 117.51 117.47 1p6t h ILE 60 Ca 0.01 -0.33 0.03 0.00 -0.39 0.00 0.00 64.86 64.18 1p6t h ILE 60 Cb 0.79 0.59 -0.06 0.00 -3.07 0.00 0.00 36.82 35.08 1p6t h ILE 60 CO 0.06 0.05 0.66 0.06 -0.69 0.00 0.00 178.15 178.29 1p6t h GLN 61 N -0.87 1.26 -0.69 2.37 3.07 -0.97 -0.71 115.11 118.57 1p6t h GLN 61 Ca -0.07 -0.08 0.08 0.00 0.09 0.00 0.00 58.65 58.68 1p6t h GLN 61 Cb 0.59 -0.28 -0.06 0.00 0.08 0.00 0.00 27.48 27.80 1p6t h GLN 61 CO 0.11 0.83 0.36 1.49 0.09 0.00 0.00 178.83 181.71 1p6t h GLU 62 N 1.30 0.61 -0.40 0.06 4.81 -0.50 -1.78 114.58 118.68 1p6t h GLU 62 Ca 0.39 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.51 1p6t h GLU 62 Cb -0.04 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1p6t h GLU 62 CO -0.11 0.40 -0.04 0.87 -0.73 0.00 0.00 179.01 179.40 1p6t h LYS 63 N 0.63 0.73 -0.49 1.92 6.56 0.54 0.59 116.57 127.05 1p6t h LYS 63 Ca 0.33 -0.25 0.10 0.00 -1.06 0.00 0.00 60.65 59.76 1p6t h LYS 63 Cb 0.29 -0.06 -0.09 0.00 -0.57 0.00 0.00 32.23 31.81 1p6t h LYS 63 CO -0.23 0.84 -0.09 0.82 -2.06 0.00 0.00 179.45 178.72 1p6t h ILE 64 N 0.55 0.54 0.23 1.86 2.04 -1.00 0.34 117.51 122.07 1p6t h ILE 64 Ca 0.11 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1p6t h ILE 64 Cb 0.54 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1p6t h ILE 64 CO 0.03 0.00 -0.23 -0.33 0.00 0.00 0.00 178.15 177.62 1p6t h GLU 65 N 0.02 -0.48 0.00 2.37 5.08 -0.74 -0.69 114.58 120.15 1p6t h GLU 65 Ca 0.24 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1p6t h GLU 65 Cb 0.36 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1p6t h GLU 65 CO -0.48 -0.32 -0.13 0.87 -1.00 0.00 0.00 179.01 177.95 1p6t h LYS 66 N -0.50 0.00 0.00 2.33 6.56 -0.12 0.20 116.57 125.05 1p6t h LYS 66 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1p6t h LYS 66 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1p6t h LYS 66 CO -0.06 0.13 0.00 1.28 -2.06 0.00 0.00 179.45 178.74 1p6t n LEU 67 N -3.30 0.00 -0.17 2.94 4.77 0.11 -4.91 117.00 116.44 1p6t n LEU 67 Ca 0.00 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1p6t n LEU 67 Cb 0.36 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1p6t n LEU 67 CO 0.31 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1p6t n GLY 68 N 0.58 1.03 3.28 -0.72 0.00 0.71 -5.07 105.19 105.00 1p6t n GLY 68 Ca 0.05 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.35 1.63 0.01 1.61 2.02 -0.29 -4.97 117.35 115.02 1p6t s TYR 69 Ca 0.00 -0.48 0.03 0.00 -0.37 0.00 0.00 57.07 56.25 1p6t s TYR 69 Cb 0.00 -0.85 -0.04 0.00 -0.40 0.00 0.00 41.96 40.67 1p6t s TYR 69 CO 0.00 0.21 -0.02 -1.58 -1.57 0.00 0.00 175.55 172.59 1p6t s HIS 70 N -1.74 3.00 -0.01 2.71 2.46 -1.23 -3.17 115.29 117.30 1p6t s HIS 70 Ca 0.09 0.03 -0.16 0.00 0.47 0.00 0.00 55.06 55.49 1p6t s HIS 70 Cb -0.07 -1.63 -0.06 0.00 -0.13 0.00 0.00 32.58 30.69 1p6t s HIS 70 CO 0.04 0.44 0.45 0.14 -2.47 0.00 0.00 174.74 173.34 1p6t s VAL 71 N -1.09 5.01 -1.20 0.89 -7.23 -1.26 -0.44 120.40 115.09 1p6t s VAL 71 Ca 0.20 0.93 -0.15 0.00 -1.81 0.00 0.00 61.98 61.14 1p6t s VAL 71 Cb -0.11 -3.77 0.14 0.00 0.56 0.00 0.00 36.38 33.20 1p6t s VAL 71 CO 0.10 0.52 1.47 -0.69 -0.31 0.00 0.00 175.10 176.20 1p6t s VAL 72 N -0.69 4.78 -0.04 1.32 1.01 0.01 -4.92 120.40 121.86 1p6t s VAL 72 Ca 0.25 -2.33 -0.03 0.00 0.00 0.00 0.00 61.98 59.86 1p6t s VAL 72 Cb -0.17 -4.97 0.02 0.00 0.00 0.00 0.00 36.38 31.26 1p6t s VAL 72 CO 0.14 -1.71 0.11 -0.89 0.00 0.00 0.00 175.10 172.74 1p6t s THR 73 N 2.35 -0.02 0.00 3.92 2.01 -1.26 -4.18 115.64 118.46 1p6t s THR 73 Ca 0.44 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.54 1p6t s THR 73 Cb -0.01 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.32 1p6t s THR 73 CO 0.01 0.02 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.22 1p6t s GLU 74 N 0.40 0.99 -1.18 4.92 0.41 0.13 -4.88 118.70 119.48 1p6t s GLU 74 Ca -0.03 -0.51 -0.17 0.00 -0.41 0.00 0.00 54.97 53.85 1p6t s GLU 74 Cb -0.04 -0.97 0.11 0.00 -1.78 0.00 0.00 34.13 31.45 1p6t s GLU 74 CO -0.02 0.26 1.53 -1.59 -0.49 0.00 0.00 175.26 174.95 1p6t s LYS 75 N -0.47 3.92 0.19 1.61 -2.85 -1.26 -1.37 119.74 119.50 1p6t s LYS 75 Ca 0.04 -2.02 -0.25 0.00 -1.00 0.00 0.00 55.97 52.73 1p6t s LYS 75 Cb -0.05 -5.29 -0.08 0.00 -2.06 0.00 0.00 37.83 30.35 1p6t s LYS 75 CO -0.00 -2.04 0.80 0.00 0.10 0.00 0.00 175.35 174.21 1p6t s ALA 76 N 3.32 3.42 -0.45 0.59 0.00 0.41 -4.85 121.76 124.20 1p6t s ALA 76 Ca 0.47 0.39 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 1p6t s ALA 76 Cb 0.00 -2.99 0.04 0.00 0.00 0.00 0.00 23.12 20.17 1p6t s ALA 76 CO 0.01 0.28 0.46 -1.21 0.00 0.00 0.00 175.76 175.29 1p6t s GLU 77 N -1.26 3.07 0.05 0.00 0.41 -1.26 -0.01 118.70 119.70 1p6t s GLU 77 Ca 0.38 -0.91 0.03 0.00 -0.41 0.00 0.00 54.97 54.05 1p6t s GLU 77 Cb -0.23 -4.02 -0.04 0.00 -1.78 0.00 0.00 34.13 28.06 1p6t s GLU 77 CO 0.26 -0.95 0.04 -0.06 -0.49 0.00 0.00 175.26 174.07 1p6t s PHE 78 N 2.11 3.13 0.13 1.61 0.40 0.28 -1.53 117.98 124.11 1p6t s PHE 78 Ca 0.11 0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.54 1p6t s PHE 78 Cb -0.19 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.67 1p6t s PHE 78 CO 0.12 0.50 0.22 0.34 0.70 0.00 0.00 175.22 177.10 1p6t s ASP 79 N -2.09 6.10 -0.10 1.36 -1.08 0.70 -0.56 116.67 121.00 1p6t s ASP 79 Ca 0.25 0.11 0.01 0.00 -0.52 0.00 0.00 52.55 52.41 1p6t s ASP 79 Cb -0.12 -1.78 0.02 0.00 -1.46 0.00 0.00 42.92 39.58 1p6t s ASP 79 CO 0.17 0.09 -0.13 -0.63 0.52 0.00 0.00 175.17 175.19 1p6t s ILE 80 N -1.67 1.33 -0.96 4.11 1.01 0.22 -0.13 121.20 125.11 1p6t s ILE 80 Ca 0.33 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.44 1p6t s ILE 80 Cb -0.11 -1.24 0.29 0.00 0.01 0.00 0.00 42.46 41.41 1p6t s ILE 80 CO 0.27 0.41 1.27 -0.62 0.00 0.00 0.00 174.94 176.27 1p6t n GLU 81 N 4.34 3.93 0.00 2.79 1.02 -0.25 -4.50 120.64 127.97 1p6t n GLU 81 Ca -0.18 -4.59 0.00 0.00 -0.02 0.00 0.00 57.16 52.37 1p6t n GLU 81 Cb 0.51 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 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 1.25 -0.36 3.35 0.62 0.00 -1.26 -3.40 105.19 105.39 1p6t n GLY 82 Ca 0.27 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 1p6t n GLY 82 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1p6t n MET 83 N -2.53 0.10 -1.20 1.61 0.00 -1.26 -4.26 117.12 109.57 1p6t n MET 83 Ca 0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 57.70 56.83 1p6t n MET 83 Cb 0.00 -2.55 -0.04 0.00 0.00 0.00 0.00 33.22 30.63 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 7.03 0.02 -3.78 1.12 5.66 -1.26 -5.02 114.28 118.04 1p6t n THR 84 Ca 0.29 -0.24 -0.07 0.00 -3.05 0.00 0.00 64.05 60.97 1p6t n THR 84 Cb 0.45 0.61 -0.02 0.00 -1.55 0.00 0.00 70.33 69.82 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 -0.45 0.00 -2.69 0.00 0.00 -1.26 -2.77 120.51 113.34 1p6t n ALA 86 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 1p6t n ALA 86 Cb 0.60 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.58 1.63 0.26 0.00 0.00 -1.26 -5.02 120.51 115.54 1p6t n ALA 87 Ca 0.00 -1.40 -0.16 0.00 0.00 0.00 0.00 53.44 51.88 1p6t n ALA 87 Cb 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.09 1.69 -0.11 0.00 0.00 -1.87 0.18 119.26 119.05 1p6t h ALA 89 Ca -0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1p6t h ALA 89 Cb 0.48 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1p6t h ALA 89 CO 0.10 0.18 0.04 -0.97 0.00 0.00 0.00 179.25 178.60 1p6t h ASN 90 N 0.80 0.16 -0.28 0.00 -0.73 -1.73 0.23 115.58 114.02 1p6t h ASN 90 Ca 0.34 -0.20 0.02 0.00 1.87 0.00 0.00 56.30 58.33 1p6t h ASN 90 Cb 0.30 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 1p6t h ASN 90 CO -0.12 0.32 0.13 0.03 -0.37 0.00 0.00 177.43 177.42 1p6t h ARG 91 N -0.00 0.27 -0.64 6.67 3.08 -0.20 -1.10 114.38 122.46 1p6t h ARG 91 Ca 0.04 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.18 1p6t h ARG 91 Cb 0.22 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.12 1p6t h ARG 91 CO -0.00 0.18 0.20 0.82 -1.07 0.00 0.00 179.97 180.10 1p6t h ILE 92 N 0.28 0.68 0.77 2.04 2.04 -0.39 -0.14 117.51 122.80 1p6t h ILE 92 Ca 0.12 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1p6t h ILE 92 Cb 0.05 0.30 0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1p6t h ILE 92 CO -0.09 0.06 -0.39 -0.08 0.00 0.00 0.00 178.15 177.66 1p6t h GLU 93 N 0.35 -1.02 -0.85 2.37 4.22 -0.05 0.16 114.58 119.77 1p6t h GLU 93 Ca 0.34 0.07 0.22 0.00 0.08 0.00 0.00 59.36 60.07 1p6t h GLU 93 Cb 0.48 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 1p6t h GLU 93 CO -0.37 -0.68 0.59 0.87 -2.18 0.00 0.00 179.01 177.24 1p6t h LYS 94 N -1.06 0.17 0.00 1.92 6.56 -0.86 0.14 116.57 123.44 1p6t h LYS 94 Ca -0.11 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.47 1p6t h LYS 94 Cb 0.81 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 1p6t h LYS 94 CO 0.16 0.11 0.00 0.54 -2.06 0.00 0.00 179.45 178.21 1p6t n ARG 95 N -4.39 0.00 -0.31 3.15 5.12 -0.10 -4.11 116.66 116.02 1p6t n ARG 95 Ca 0.18 0.47 0.15 0.00 -1.93 0.00 0.00 57.85 56.72 1p6t n ARG 95 Cb 0.80 -1.21 0.32 0.00 -1.16 0.00 0.00 32.46 31.21 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 -0.15 -0.42 0.55 3.38 -0.07 -1.39 115.31 117.21 1p6t h LEU 96 Ca 0.00 0.23 0.13 0.00 0.09 0.00 0.00 57.88 58.34 1p6t h LEU 96 Cb 0.00 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1p6t h LEU 96 CO 0.00 -0.26 0.07 -3.20 0.09 0.00 0.00 178.44 175.14 1p6t n ASN 97 N -5.33 0.01 -2.92 -0.43 2.85 0.44 -1.86 115.26 108.01 1p6t n ASN 97 Ca 0.24 0.71 -0.14 0.00 -0.11 0.00 0.00 54.58 55.27 1p6t n ASN 97 Cb 0.77 -0.28 0.01 0.00 1.24 0.00 0.00 39.78 41.52 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 -4.30 0.82 0.43 1.20 0.00 -0.55 -4.27 118.16 111.50 1p6t n LYS 98 Ca 0.12 -2.38 -0.17 0.00 -0.00 0.00 0.00 58.31 55.87 1p6t n LYS 98 Cb 0.38 -1.35 -0.08 0.00 -0.00 0.00 0.00 35.03 33.98 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 2.48 0.00 0.00 0.58 1.08 -1.13 -3.48 117.51 117.04 1p6t h ILE 99 Ca -0.05 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1p6t h ILE 99 Cb 0.99 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 1p6t h ILE 99 CO 0.35 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 177.19 1p6t n GLU 100 N -5.18 0.00 -1.45 2.37 1.02 -1.26 -4.97 120.64 111.17 1p6t n GLU 100 Ca -0.14 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.74 1p6t n GLU 100 Cb 0.43 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.81 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p6t n GLY 101 N 0.00 4.40 3.55 0.62 0.00 -1.23 -4.18 105.19 108.35 1p6t n GLY 101 Ca 0.00 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.43 4.41 -0.14 1.61 1.01 -1.26 -0.64 120.40 122.95 1p6t s VAL 102 Ca 0.56 -0.16 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 1p6t s VAL 102 Cb 0.37 -2.99 -0.26 0.00 0.00 0.00 0.00 36.38 33.51 1p6t s VAL 102 CO -0.21 0.44 0.67 0.00 0.00 0.00 0.00 175.10 176.01 1p6t h ALA 103 N 7.07 0.05 -2.61 5.51 0.00 -0.86 -3.41 119.26 125.01 1p6t h ALA 103 Ca -0.35 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 53.78 1p6t h ALA 103 Cb 1.18 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 19.01 1p6t h ALA 103 CO 0.65 0.23 -0.29 -0.80 0.00 0.00 0.00 179.25 179.04 1p6t s ASN 104 N -6.49 0.02 -0.42 0.00 0.01 -0.49 -4.80 114.94 102.78 1p6t s ASN 104 Ca -0.20 -0.68 0.09 0.00 -0.71 0.00 0.00 52.86 51.36 1p6t s ASN 104 Cb -0.00 0.41 0.36 0.00 0.41 0.00 0.00 41.25 42.42 1p6t s ASN 104 CO 0.70 -0.82 1.11 0.00 -1.51 0.00 0.00 177.10 176.57 1p6t n ALA 105 N -0.15 0.58 -1.77 0.60 0.00 -1.26 -0.45 120.51 118.06 1p6t n ALA 105 Ca -0.12 -1.88 -0.41 0.00 0.00 0.00 0.00 53.44 51.03 1p6t n ALA 105 Cb 0.63 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.49 4.34 -0.06 0.00 0.04 -1.22 -4.68 135.00 132.94 1p6t s PRO 106 Ca 0.25 2.18 -0.03 0.00 0.04 0.00 0.00 61.00 63.44 1p6t s PRO 106 Cb 0.34 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 1p6t s PRO 106 CO -0.06 -0.18 0.09 0.14 0.04 0.00 0.00 177.00 177.03 1p6t s VAL 107 N -1.16 4.92 0.12 -0.36 -7.23 -1.26 -1.35 120.40 114.09 1p6t s VAL 107 Ca 0.49 -0.17 -0.03 0.00 -1.81 0.00 0.00 61.98 60.47 1p6t s VAL 107 Cb -0.39 -3.18 -0.21 0.00 0.56 0.00 0.00 36.38 33.16 1p6t s VAL 107 CO 0.52 0.49 1.27 0.78 -0.31 0.00 0.00 175.10 177.84 1p6t h ASN 108 N 4.59 0.44 0.00 4.85 4.21 -1.25 -3.48 115.58 124.93 1p6t h ASN 108 Ca -0.51 -0.39 0.00 0.00 1.21 0.00 0.00 56.30 56.61 1p6t h ASN 108 Cb 1.20 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.26 1p6t h ASN 108 CO 0.60 1.22 0.00 0.49 -1.29 0.00 0.00 177.43 178.45 1p6t n PHE 109 N -3.66 0.00 0.27 1.19 3.72 -1.26 -4.46 117.46 113.26 1p6t n PHE 109 Ca -0.07 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.43 1p6t n PHE 109 Cb 0.89 0.00 0.71 0.00 -0.94 0.00 0.00 39.48 40.14 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 1.82 -0.02 4.37 0.00 -1.94 0.19 119.26 123.69 1p6t h ALA 110 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1p6t h ALA 110 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1p6t h ALA 110 CO 0.00 0.02 -0.02 1.28 0.00 0.00 0.00 179.25 180.53 1p6t n LEU 111 N -4.30 2.07 -3.55 0.00 4.77 -1.26 -5.02 117.00 109.71 1p6t n LEU 111 Ca -0.03 -0.98 -0.19 0.00 -0.03 0.00 0.00 56.01 54.78 1p6t n LEU 111 Cb 0.10 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1p6t n LEU 111 CO 0.32 0.38 0.01 -0.62 -1.33 0.00 0.00 177.39 176.15 1p6t n GLU 112 N 0.68 -5.15 -4.26 3.23 4.71 0.05 -4.88 120.64 115.02 1p6t n GLU 112 Ca 0.08 0.73 -0.16 0.00 -0.01 0.00 0.00 57.16 57.79 1p6t n GLU 112 Cb 0.33 -5.46 -0.10 0.00 -1.01 0.00 0.00 31.44 25.20 1p6t n GLU 112 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1p6t s THR 113 N -3.51 1.31 -0.05 2.62 -4.23 -1.26 -0.61 115.64 109.90 1p6t s THR 113 Ca 0.07 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1p6t s THR 113 Cb -0.01 -1.79 0.03 0.00 1.34 0.00 0.00 72.50 72.07 1p6t s THR 113 CO 0.78 -0.63 -0.01 0.54 -0.54 0.00 0.00 174.62 174.76 1p6t s VAL 114 N -2.92 0.35 -0.48 2.29 0.11 0.28 -0.60 120.40 119.43 1p6t s VAL 114 Ca 0.15 0.07 -0.25 0.00 -2.93 0.00 0.00 61.98 59.03 1p6t s VAL 114 Cb -0.00 -0.46 0.03 0.00 -1.53 0.00 0.00 36.38 34.41 1p6t s VAL 114 CO 0.02 0.22 0.93 -0.89 -3.33 0.00 0.00 175.10 172.05 1p6t s THR 115 N 1.54 4.46 -0.39 5.04 2.01 -0.45 -0.56 115.64 127.29 1p6t s THR 115 Ca -0.02 0.67 -0.21 0.00 0.31 0.00 0.00 61.69 62.44 1p6t s THR 115 Cb -0.13 -4.45 0.01 0.00 0.01 0.00 0.00 72.50 67.94 1p6t s THR 115 CO -0.03 -0.88 0.68 0.54 -0.69 0.00 0.00 174.62 174.24 1p6t s VAL 116 N 3.79 4.82 -0.67 3.82 0.11 0.99 -3.37 120.40 129.88 1p6t s VAL 116 Ca 0.36 0.51 -0.08 0.00 -2.93 0.00 0.00 61.98 59.84 1p6t s VAL 116 Cb -0.10 -4.16 0.18 0.00 -1.53 0.00 0.00 36.38 30.76 1p6t s VAL 116 CO 0.25 -0.45 0.55 -0.70 -3.33 0.00 0.00 175.10 171.43 1p6t s GLU 117 N 2.87 2.95 0.19 1.54 -6.30 0.40 -0.45 118.70 119.91 1p6t s GLU 117 Ca 0.26 -2.36 -0.07 0.00 -2.50 0.00 0.00 54.97 50.30 1p6t s GLU 117 Cb -0.14 -4.04 -0.02 0.00 0.00 0.00 0.00 34.13 29.93 1p6t s GLU 117 CO 0.17 -1.23 0.27 1.52 0.02 0.00 0.00 175.26 176.02 1p6t s TYR 118 N 0.30 0.64 -0.44 5.30 1.13 -0.47 -0.28 117.35 123.52 1p6t s TYR 118 Ca 0.15 -0.96 -0.26 0.00 -1.41 0.00 0.00 57.07 54.59 1p6t s TYR 118 Cb -0.18 -0.17 0.03 0.00 -1.10 0.00 0.00 41.96 40.54 1p6t s TYR 118 CO -0.05 -0.75 0.95 1.21 -2.51 0.00 0.00 175.55 174.40 1p6t s ASN 119 N -3.04 6.55 0.00 -0.18 2.47 0.18 -0.69 114.94 120.23 1p6t s ASN 119 Ca 0.25 0.24 0.00 0.00 0.42 0.00 0.00 52.86 53.77 1p6t s ASN 119 Cb 0.04 -2.46 0.00 0.00 -1.45 0.00 0.00 41.25 37.37 1p6t s ASN 119 CO 0.06 -1.03 0.66 -0.81 -3.72 0.00 0.00 177.10 172.25 1p6t n PRO 120 N 7.16 0.94 -0.10 0.43 -0.04 -1.26 -2.99 135.00 139.14 1p6t n PRO 120 Ca 0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 1p6t n PRO 120 Cb 0.48 -1.28 -0.07 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.18 0.42 0.27 0.54 4.76 -1.26 -4.67 118.16 118.03 1p6t n LYS 121 Ca 0.00 0.18 -0.16 0.00 -2.87 0.00 0.00 58.31 55.45 1p6t n LYS 121 Cb 0.14 -1.20 -0.08 0.00 -1.84 0.00 0.00 35.03 32.05 1p6t n LYS 121 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1p6t h GLU 122 N -0.65 -0.78 0.00 1.97 4.39 -1.92 -3.46 114.58 114.14 1p6t h GLU 122 Ca -0.49 0.05 -0.60 0.00 0.34 0.00 0.00 59.36 58.66 1p6t h GLU 122 Cb 1.45 0.18 -0.11 0.00 -0.10 0.00 0.00 28.75 30.16 1p6t h GLU 122 CO -0.28 -0.52 -0.44 0.00 -1.16 0.00 0.00 179.01 176.61 1p6t n ALA 123 N -2.62 0.39 -3.59 3.43 0.00 -1.16 -5.03 120.51 111.92 1p6t n ALA 123 Ca -0.11 -2.07 -0.09 0.00 0.00 0.00 0.00 53.44 51.17 1p6t n ALA 123 Cb 0.37 1.13 -0.01 0.00 0.00 0.00 0.00 19.45 20.95 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 -3.53 0.04 0.26 0.00 0.15 -1.26 -4.36 113.70 104.99 1p6t s SER 124 Ca 0.00 -1.00 -0.06 0.00 0.70 0.00 0.00 55.95 55.60 1p6t s SER 124 Cb -0.00 0.75 0.49 0.00 -1.71 0.00 0.00 66.02 65.55 1p6t s SER 124 CO 0.00 -1.44 1.61 0.58 1.20 0.00 0.00 173.24 175.18 1p6t h VAL 125 N 2.06 0.22 -0.73 4.45 2.07 -1.99 0.85 116.25 123.18 1p6t h VAL 125 Ca -0.27 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.34 1p6t h VAL 125 Cb 1.25 0.15 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 1p6t h VAL 125 CO 0.34 0.01 0.36 0.28 0.02 0.00 0.00 177.57 178.58 1p6t h SER 126 N 0.06 0.44 -0.30 0.57 0.02 -1.98 0.21 113.55 112.58 1p6t h SER 126 Ca 0.46 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.43 1p6t h SER 126 Cb 0.82 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 1p6t h SER 126 CO -0.78 0.24 -0.01 -0.78 -1.14 0.00 0.00 176.83 174.36 1p6t h ASP 127 N 0.58 0.52 -0.80 3.07 3.58 -1.26 0.67 116.42 122.78 1p6t h ASP 127 Ca 0.37 -0.31 0.01 0.00 0.42 0.00 0.00 57.03 57.52 1p6t h ASP 127 Cb 0.44 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.31 1p6t h ASP 127 CO -0.30 0.71 0.53 -0.07 -2.88 0.00 0.00 179.24 177.23 1p6t h LEU 128 N 0.32 0.91 0.52 2.28 3.38 -0.62 0.18 115.31 122.28 1p6t h LEU 128 Ca 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1p6t h LEU 128 Cb 0.45 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1p6t h LEU 128 CO 0.02 0.65 -0.32 0.11 0.09 0.00 0.00 178.44 178.99 1p6t h LYS 129 N 1.07 -0.77 -0.96 1.13 1.57 -0.40 0.20 116.57 118.41 1p6t h LYS 129 Ca 0.30 0.05 0.20 0.00 -1.87 0.00 0.00 60.65 59.33 1p6t h LYS 129 Cb -0.10 0.17 -0.11 0.00 0.08 0.00 0.00 32.23 32.27 1p6t h LYS 129 CO -0.07 -0.51 0.54 0.93 -0.57 0.00 0.00 179.45 179.76 1p6t h GLU 130 N -0.80 0.61 0.55 3.15 4.39 0.10 0.18 114.58 122.77 1p6t h GLU 130 Ca -0.06 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1p6t h GLU 130 Cb 0.65 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1p6t h GLU 130 CO 0.06 0.40 -0.26 0.00 -1.16 0.00 0.00 179.01 178.05 1p6t h ALA 131 N 1.66 -0.74 -0.05 3.43 0.00 -0.47 -3.06 119.26 120.03 1p6t h ALA 131 Ca 0.57 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 1p6t h ALA 131 Cb 0.97 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1p6t h ALA 131 CO -0.43 -0.79 -0.46 -0.24 0.00 0.00 0.00 179.25 177.33 1p6t h VAL 132 N -0.99 1.33 -0.67 0.00 3.04 -0.03 -1.29 116.25 117.65 1p6t h VAL 132 Ca -0.08 -1.62 0.06 0.00 -1.01 0.00 0.00 66.70 64.05 1p6t h VAL 132 Cb 0.64 1.81 -0.04 0.00 -2.01 0.00 0.00 31.29 31.69 1p6t h VAL 132 CO 0.12 0.47 0.44 0.44 -1.01 0.00 0.00 177.57 178.04 1p6t h ASP 133 N 0.10 0.61 1.07 3.17 5.19 -0.75 0.21 116.42 126.03 1p6t h ASP 133 Ca 0.00 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.36 1p6t h ASP 133 Cb 0.86 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 1p6t h ASP 133 CO 0.07 0.40 -0.28 0.11 -3.12 0.00 0.00 179.24 176.41 1p6t h LYS 134 N 0.70 0.00 0.00 3.56 1.57 -1.14 -1.92 116.57 119.34 1p6t h LYS 134 Ca 0.29 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.04 1p6t h LYS 134 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1p6t h LYS 134 CO -0.09 0.28 -0.15 -0.07 -0.57 0.00 0.00 179.45 178.86 1p6t h LEU 135 N 0.00 0.00 -0.42 2.94 -0.00 -0.24 -3.47 115.31 114.11 1p6t h LEU 135 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1p6t h LEU 135 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 1p6t h LEU 135 CO 0.04 0.15 0.00 0.61 -0.00 0.00 0.00 178.44 179.23 1p6t n GLY 136 N 0.14 0.94 3.37 0.83 0.00 0.14 -5.09 105.19 105.51 1p6t n GLY 136 Ca 0.00 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.42 1.65 -0.15 1.61 2.02 -1.00 -5.03 117.35 114.03 1p6t s TYR 137 Ca 0.00 -1.25 0.02 0.00 -0.37 0.00 0.00 57.07 55.47 1p6t s TYR 137 Cb 0.00 -0.96 0.01 0.00 -0.40 0.00 0.00 41.96 40.61 1p6t s TYR 137 CO 0.00 -0.37 -0.21 -1.59 -1.57 0.00 0.00 175.55 171.81 1p6t s LYS 138 N -3.88 2.96 0.40 -0.62 -2.85 -1.22 -3.64 119.74 110.89 1p6t s LYS 138 Ca 0.35 -0.83 -0.11 0.00 -1.00 0.00 0.00 55.97 54.38 1p6t s LYS 138 Cb 0.06 -2.43 -0.07 0.00 -2.06 0.00 0.00 37.83 33.33 1p6t s LYS 138 CO 0.16 -0.07 0.77 -0.51 0.10 0.00 0.00 175.35 175.80 1p6t s LEU 139 N 0.95 3.86 0.30 2.77 1.43 -1.26 -1.09 118.68 125.64 1p6t s LEU 139 Ca -0.04 1.17 0.02 0.00 -1.03 0.00 0.00 54.13 54.26 1p6t s LEU 139 Cb -0.15 -4.04 -0.05 0.00 0.03 0.00 0.00 46.19 41.98 1p6t s LEU 139 CO -0.05 -0.38 0.10 -0.54 0.23 0.00 0.00 176.35 175.72 1p6t s LYS 140 N -3.72 1.55 0.13 1.70 -0.14 0.82 -4.90 119.74 115.18 1p6t s LYS 140 Ca 0.52 -1.87 0.11 0.00 -1.36 0.00 0.00 55.97 53.37 1p6t s LYS 140 Cb -0.10 -0.43 -0.04 0.00 -1.68 0.00 0.00 37.83 35.58 1p6t s LYS 140 CO 0.29 -0.31 -0.26 -0.51 -0.76 0.00 0.00 175.35 173.80 1p6t s LEU 141 N -3.40 2.32 -1.10 3.17 1.02 -1.26 -0.21 118.68 119.22 1p6t s LEU 141 Ca 0.36 -0.74 -0.22 0.00 0.02 0.00 0.00 54.13 53.55 1p6t s LEU 141 Cb 0.07 -1.17 0.03 0.00 0.02 0.00 0.00 46.19 45.13 1p6t s LEU 141 CO 0.15 0.16 1.66 -0.54 0.02 0.00 0.00 176.35 177.80 1p6t s LYS 142 N -2.05 3.42 0.00 1.70 3.01 -0.58 -4.51 119.74 120.73 1p6t s LYS 142 Ca 0.13 -1.23 0.00 0.00 -1.01 0.00 0.00 55.97 53.86 1p6t s LYS 142 Cb -0.10 -5.35 0.00 0.00 -1.01 0.00 0.00 37.83 31.37 1p6t s LYS 142 CO 0.06 -2.60 0.00 0.41 0.51 0.00 0.00 175.35 173.73 1p6t n GLY 143 N 6.36 1.73 1.84 -3.33 0.00 -1.26 -4.06 105.19 106.46 1p6t n GLY 143 Ca 0.40 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 1p6t n GLY 143 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1p6t n GLU 144 N 0.00 -1.38 0.09 1.61 0.28 -1.26 -4.35 120.64 115.64 1p6t n GLU 144 Ca 0.00 0.56 0.00 0.00 -0.16 0.00 0.00 57.16 57.56 1p6t n GLU 144 Cb 0.00 -4.79 0.00 0.00 1.43 0.00 0.00 31.44 28.08 1p6t n GLU 144 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1p6t n GLN 145 N -1.79 0.00 -0.68 3.44 6.02 -1.26 -5.00 117.38 118.10 1p6t n GLN 145 Ca -0.10 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1p6t n GLN 145 Cb 0.35 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.61 1p6t n GLN 145 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1p6t n ASP 146 N -2.99 -0.01 -0.30 1.08 8.00 -1.26 -4.81 116.55 116.26 1p6t n ASP 146 Ca 0.00 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 53.89 1p6t n ASP 146 Cb 0.00 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.04 1p6t n ASP 146 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1p6t n SER 147 N 0.06 0.15 -0.05 -2.24 2.88 -1.26 -4.91 113.62 108.25 1p6t n SER 147 Ca -0.03 -1.70 -0.03 0.00 -1.33 0.00 0.00 58.87 55.78 1p6t n SER 147 Cb 0.68 -0.14 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 1p6t n SER 147 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1p6t h ILE 148 N 5.15 0.00 -2.76 2.46 1.08 -1.88 -3.45 117.51 118.11 1p6t h ILE 148 Ca 0.00 -0.76 0.03 0.00 -0.39 0.00 0.00 64.86 63.73 1p6t h ILE 148 Cb 1.22 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1p6t h ILE 148 CO 0.00 0.00 0.34 1.21 -0.69 0.00 0.00 178.15 179.01 1p6t n GLU 149 N -4.07 0.89 0.00 2.37 0.00 -1.26 -5.05 120.64 113.52 1p6t n GLU 149 Ca -0.04 -1.80 0.00 0.00 0.00 0.00 0.00 57.16 55.32 1p6t n GLU 149 Cb 0.16 2.29 0.00 0.00 0.00 0.00 0.00 31.44 33.89 1p6t n GLU 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1p6t n GLY 150 N -0.53 1.30 0.00 8.31 0.00 -1.26 -4.93 105.19 108.08 1p6t n GLY 150 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19