#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 6.93 -2.47 4.03 0.00 -1.26 -4.82 117.00 119.42 1p6t n LEU 2 Ca 0.00 -4.04 -0.16 0.00 0.00 0.00 0.00 56.01 51.82 1p6t n LEU 2 Cb 0.00 -1.58 -0.10 0.00 0.00 0.00 0.00 43.42 41.75 1p6t n LEU 2 CO 0.00 1.15 1.83 -1.20 0.00 0.00 0.00 177.39 179.17 1p6t n SER 3 N 5.69 4.88 -4.48 1.96 7.64 -1.26 -4.76 113.62 123.29 1p6t n SER 3 Ca 0.57 -2.31 -0.43 0.00 1.01 0.00 0.00 58.87 57.70 1p6t n SER 3 Cb 0.35 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1p6t n SER 3 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1p6t n GLU 4 N 3.02 3.28 -1.39 1.43 1.02 -1.26 -4.99 120.64 121.75 1p6t n GLU 4 Ca 0.42 -3.51 -0.39 0.00 -0.02 0.00 0.00 57.16 53.66 1p6t n GLU 4 Cb 0.54 -3.27 0.02 0.00 -0.02 0.00 0.00 31.44 28.71 1p6t n GLU 4 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1p6t n GLN 5 N 6.96 0.32 -3.62 3.49 1.13 -1.26 -4.51 117.38 119.89 1p6t n GLN 5 Ca 0.44 0.13 -0.13 0.00 -1.94 0.00 0.00 57.00 55.50 1p6t n GLN 5 Cb 0.44 -1.42 -0.05 0.00 0.11 0.00 0.00 30.24 29.32 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 -1.63 1.00 -0.37 -1.09 0.00 -1.24 -5.02 119.74 111.38 1p6t s LYS 6 Ca 0.64 -0.40 -0.08 0.00 0.00 0.00 0.00 55.97 56.12 1p6t s LYS 6 Cb -0.48 0.45 0.05 0.00 0.00 0.00 0.00 37.83 37.85 1p6t s LYS 6 CO 0.59 -0.36 0.18 -1.21 0.00 0.00 0.00 175.35 174.55 1p6t s GLU 7 N -2.80 2.66 -0.26 1.78 8.01 -1.26 -3.39 118.70 123.44 1p6t s GLU 7 Ca -0.03 -1.25 -0.17 0.00 0.01 0.00 0.00 54.97 53.53 1p6t s GLU 7 Cb -0.00 -3.64 -0.03 0.00 -4.31 0.00 0.00 34.13 26.15 1p6t s GLU 7 CO -0.05 -0.77 0.46 -1.50 0.01 0.00 0.00 175.26 173.41 1p6t s ILE 8 N 1.45 5.11 -0.25 -1.63 -1.16 -0.33 -4.88 121.20 119.51 1p6t s ILE 8 Ca 0.01 0.77 -0.08 0.00 -0.51 0.00 0.00 60.65 60.84 1p6t s ILE 8 Cb -0.21 -3.78 -0.04 0.00 0.61 0.00 0.00 42.46 39.05 1p6t s ILE 8 CO 0.04 0.12 0.10 0.00 -2.81 0.00 0.00 174.94 172.38 1p6t s ALA 9 N 2.17 3.28 0.17 1.50 0.00 -1.26 -0.75 121.76 126.87 1p6t s ALA 9 Ca 0.19 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1p6t s ALA 9 Cb -0.16 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 1p6t s ALA 9 CO 0.09 -0.41 0.06 -1.64 0.00 0.00 0.00 175.76 173.86 1p6t s MET 10 N 1.47 1.10 -0.07 0.00 -1.94 0.19 -3.15 119.30 116.90 1p6t s MET 10 Ca 0.06 -1.55 -0.15 0.00 -1.71 0.00 0.00 55.69 52.34 1p6t s MET 10 Cb -0.15 0.02 -0.05 0.00 2.01 0.00 0.00 34.83 36.66 1p6t s MET 10 CO 0.05 -0.25 0.38 -0.65 -0.01 0.00 0.00 175.02 174.54 1p6t s GLN 11 N -4.03 4.05 -0.02 2.03 -0.21 -1.26 0.01 119.66 120.23 1p6t s GLN 11 Ca 0.29 0.31 0.06 0.00 0.02 0.00 0.00 55.36 56.03 1p6t s GLN 11 Cb 0.07 -3.31 -0.01 0.00 1.00 0.00 0.00 33.01 30.76 1p6t s GLN 11 CO 0.06 0.48 -0.19 0.54 -2.12 0.00 0.00 175.29 174.06 1p6t s VAL 12 N -0.37 1.50 0.42 1.09 0.11 -1.23 -1.14 120.40 120.79 1p6t s VAL 12 Ca 0.22 -0.80 0.08 0.00 -2.93 0.00 0.00 61.98 58.54 1p6t s VAL 12 Cb -0.15 -1.25 -0.01 0.00 -1.53 0.00 0.00 36.38 33.43 1p6t s VAL 12 CO 0.10 0.43 0.41 -0.44 -3.33 0.00 0.00 175.10 172.27 1p6t s SER 13 N -0.36 5.14 0.00 3.54 0.01 0.34 -4.57 113.70 117.79 1p6t s SER 13 Ca 0.05 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1p6t s SER 13 Cb -0.08 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.59 1p6t s SER 13 CO -0.00 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.57 1p6t n GLY 14 N -1.61 0.96 3.58 3.44 0.00 -1.26 -3.67 105.19 106.63 1p6t n GLY 14 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.09 2.99 0.57 1.61 1.00 -1.26 -4.84 119.30 119.28 1p6t s MET 15 Ca 0.00 1.08 0.36 0.00 0.00 0.00 0.00 55.69 57.12 1p6t s MET 15 Cb 0.00 -4.29 1.59 0.00 0.00 0.00 0.00 34.83 32.13 1p6t s MET 15 CO 0.00 -2.27 2.07 1.15 0.00 0.00 0.00 175.02 175.96 1p6t h THR 16 N 6.87 0.03 -3.63 2.05 2.02 -1.94 -3.49 112.91 114.82 1p6t h THR 16 Ca -0.30 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1p6t h THR 16 Cb 1.17 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.95 1p6t h THR 16 CO 1.12 0.01 -0.46 0.00 0.37 0.00 0.00 175.52 176.55 1p6t n ALA 18 N 0.47 0.00 0.22 0.00 0.00 -1.26 -4.90 120.51 115.04 1p6t n ALA 18 Ca -0.11 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.41 1p6t n ALA 18 Cb 0.16 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.22 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 1.96 0.42 0.00 0.00 -1.98 -2.86 119.26 116.81 1p6t h ALA 19 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1p6t h ALA 19 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1p6t h ALA 19 CO 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 179.25 179.08 1p6t h ALA 21 N -0.52 0.13 -0.81 0.00 0.00 -1.93 -1.70 119.26 114.43 1p6t h ALA 21 Ca -0.06 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1p6t h ALA 21 Cb 0.56 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1p6t h ALA 21 CO 0.10 -0.45 0.53 0.00 0.00 0.00 0.00 179.25 179.42 1p6t h ALA 22 N 1.13 1.62 -0.52 0.00 0.00 -1.44 0.21 119.26 120.26 1p6t h ALA 22 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1p6t h ALA 22 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1p6t h ALA 22 CO -0.13 0.26 0.19 0.00 0.00 0.00 0.00 179.25 179.57 1p6t h ARG 23 N 0.88 0.80 0.41 0.00 2.47 0.62 0.14 114.38 119.70 1p6t h ARG 23 Ca 0.35 -0.16 -0.02 0.00 -1.26 0.00 0.00 59.98 58.89 1p6t h ARG 23 Cb 0.23 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1p6t h ARG 23 CO -0.12 0.71 -0.20 0.82 0.56 0.00 0.00 179.97 181.74 1p6t h ILE 24 N 0.71 0.58 -0.28 2.04 2.04 -0.46 0.20 117.51 122.35 1p6t h ILE 24 Ca 0.17 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.79 1p6t h ILE 24 Cb 0.23 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 1p6t h ILE 24 CO -0.01 0.06 -0.25 -0.33 0.00 0.00 0.00 178.15 177.61 1p6t h GLU 25 N -0.74 -0.24 -0.11 2.37 5.08 -0.78 0.17 114.58 120.33 1p6t h GLU 25 Ca -0.06 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1p6t h GLU 25 Cb 0.52 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1p6t h GLU 25 CO 0.09 -0.16 0.06 -0.22 -1.00 0.00 0.00 179.01 177.78 1p6t h LYS 26 N -0.25 0.16 -0.57 2.33 3.64 -0.73 0.15 116.57 121.30 1p6t h LYS 26 Ca 0.15 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1p6t h LYS 26 Cb 0.47 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 1p6t h LYS 26 CO -0.42 0.21 0.24 0.78 -2.27 0.00 0.00 179.45 177.99 1p6t h GLY 27 N 0.07 0.80 1.08 5.01 0.00 0.23 -1.05 103.07 109.20 1p6t h GLY 27 Ca 0.04 -0.14 -0.16 0.00 0.00 0.00 0.00 47.33 47.07 1p6t h GLY 27 CO -0.01 0.02 -0.41 1.41 0.00 0.00 0.00 176.54 177.56 1p6t h LEU 28 N 0.44 0.91 -1.95 3.11 -0.00 -0.55 -2.80 115.31 114.46 1p6t h LEU 28 Ca 0.28 -0.50 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 1p6t h LEU 28 Cb 0.30 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1p6t h LEU 28 CO -0.26 1.22 0.06 0.50 -0.00 0.00 0.00 178.44 179.97 1p6t h LYS 29 N 0.61 0.00 0.00 1.13 3.64 0.16 -0.24 116.57 121.87 1p6t h LYS 29 Ca 0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1p6t h LYS 29 Cb 1.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1p6t h LYS 29 CO 0.10 0.00 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.16 1p6t h ARG 30 N 0.00 0.00 -7.34 1.90 2.43 -0.94 -3.46 114.38 106.98 1p6t h ARG 30 Ca 0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 1p6t h ARG 30 Cb 0.13 0.00 0.11 0.00 -0.42 0.00 0.00 29.97 29.79 1p6t h ARG 30 CO 0.00 0.03 0.34 -1.64 -1.51 0.00 0.00 179.97 177.19 1p6t s MET 31 N -3.74 2.51 -0.03 0.20 -1.94 -0.10 -5.01 119.30 111.18 1p6t s MET 31 Ca 0.00 0.99 -0.22 0.00 -1.71 0.00 0.00 55.69 54.75 1p6t s MET 31 Cb 0.10 -1.94 -0.24 0.00 2.01 0.00 0.00 34.83 34.76 1p6t s MET 31 CO 0.54 -1.42 1.04 -1.00 -0.01 0.00 0.00 175.02 174.18 1p6t h PRO 32 N -0.95 0.29 0.00 2.03 0.13 -1.88 -3.34 132.00 128.28 1p6t h PRO 32 Ca -0.44 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 1p6t h PRO 32 Cb 1.23 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1p6t h PRO 32 CO 0.55 1.03 0.00 0.78 -0.23 0.00 0.00 178.00 180.13 1p6t h GLY 33 N -0.32 0.00 -4.78 1.56 0.00 -1.90 -3.44 103.07 94.18 1p6t h GLY 33 Ca -0.06 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.75 1p6t h GLY 33 CO 0.09 0.00 1.00 0.54 0.00 0.00 0.00 176.54 178.17 1p6t s VAL 34 N -3.42 2.51 -0.24 4.60 0.11 -1.25 -0.27 120.40 122.44 1p6t s VAL 34 Ca 0.04 0.23 -0.17 0.00 -2.93 0.00 0.00 61.98 59.15 1p6t s VAL 34 Cb 0.09 -3.15 -0.14 0.00 -1.53 0.00 0.00 36.38 31.65 1p6t s VAL 34 CO 0.47 0.01 -0.11 0.41 -3.33 0.00 0.00 175.10 172.54 1p6t n THR 35 N 4.32 1.52 -3.67 5.04 -1.04 0.36 -4.92 114.28 115.90 1p6t n THR 35 Ca 0.16 -0.17 -0.11 0.00 -2.04 0.00 0.00 64.05 61.89 1p6t n THR 35 Cb 0.38 -2.01 -0.06 0.00 -1.82 0.00 0.00 70.33 66.83 1p6t n THR 35 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1p6t s ASP 36 N -7.04 -0.22 -0.06 8.00 2.15 -0.20 -5.03 116.67 114.28 1p6t s ASP 36 Ca -0.33 -0.22 -0.00 0.00 0.43 0.00 0.00 52.55 52.43 1p6t s ASP 36 Cb 0.10 0.44 0.03 0.00 -0.30 0.00 0.00 42.92 43.18 1p6t s ASP 36 CO 0.51 -0.76 -0.02 0.00 -0.17 0.00 0.00 175.17 174.73 1p6t s ALA 37 N -3.24 0.71 0.05 3.66 0.00 -1.26 -0.47 121.76 121.20 1p6t s ALA 37 Ca -0.00 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 51.90 1p6t s ALA 37 Cb 0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1p6t s ALA 37 CO -0.08 -0.30 -0.16 -0.80 0.00 0.00 0.00 175.76 174.42 1p6t s ASN 38 N 1.58 1.87 -0.24 0.00 0.02 0.33 -4.92 114.94 113.59 1p6t s ASN 38 Ca -0.01 -0.49 -0.02 0.00 -1.02 0.00 0.00 52.86 51.32 1p6t s ASN 38 Cb -0.13 -0.12 0.08 0.00 0.02 0.00 0.00 41.25 41.09 1p6t s ASN 38 CO -0.04 0.05 0.06 0.54 0.02 0.00 0.00 177.10 177.73 1p6t s VAL 39 N -0.89 0.62 -1.44 1.60 0.11 -1.26 -0.17 120.40 118.98 1p6t s VAL 39 Ca 0.03 -0.86 -0.15 0.00 -2.93 0.00 0.00 61.98 58.07 1p6t s VAL 39 Cb -0.08 -1.26 0.04 0.00 -1.53 0.00 0.00 36.38 33.55 1p6t s VAL 39 CO 0.02 -0.39 2.16 0.59 -3.33 0.00 0.00 175.10 174.14 1p6t n ASN 40 N 4.99 4.03 0.33 3.54 4.13 0.93 -4.68 115.26 128.52 1p6t n ASN 40 Ca -0.07 -2.85 0.20 0.00 1.68 0.00 0.00 54.58 53.54 1p6t n ASN 40 Cb 0.45 -1.67 1.07 0.00 -1.54 0.00 0.00 39.78 38.09 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 10.38 0.00 -1.99 3.41 8.10 -1.93 0.25 115.31 133.53 1p6t h LEU 41 Ca 0.55 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.54 1p6t h LEU 41 Cb 0.67 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.89 1p6t h LEU 41 CO 1.83 0.00 -0.03 0.00 -4.11 0.00 0.00 178.44 176.13 1p6t h ALA 42 N 1.80 1.89 0.00 0.17 0.00 -1.95 -3.03 119.26 118.15 1p6t h ALA 42 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1p6t h ALA 42 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1p6t h ALA 42 CO 0.00 0.04 -0.04 0.25 0.00 0.00 0.00 179.25 179.50 1p6t n THR 43 N -4.42 0.66 -3.70 0.00 -2.24 0.14 -5.03 114.28 99.69 1p6t n THR 43 Ca -0.03 -0.70 -0.24 0.00 -2.27 0.00 0.00 64.05 60.81 1p6t n THR 43 Cb 0.11 0.60 0.05 0.00 -2.10 0.00 0.00 70.33 68.99 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 -0.38 -5.95 -4.01 -0.78 1.02 0.65 -5.00 120.64 106.19 1p6t n GLU 44 Ca 0.02 0.69 -0.31 0.00 -0.02 0.00 0.00 57.16 57.54 1p6t n GLU 44 Cb 0.41 -5.52 -0.15 0.00 -0.02 0.00 0.00 31.44 26.16 1p6t n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1p6t s THR 45 N -3.45 1.85 -0.19 2.62 2.01 -0.63 -3.48 115.64 114.37 1p6t s THR 45 Ca 0.30 -1.35 -0.24 0.00 0.31 0.00 0.00 61.69 60.71 1p6t s THR 45 Cb -0.14 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 1p6t s THR 45 CO 0.79 0.01 0.76 0.54 -0.69 0.00 0.00 174.62 176.02 1p6t s VAL 46 N 1.26 4.93 -0.28 3.82 0.11 0.10 -0.05 120.40 130.30 1p6t s VAL 46 Ca -0.06 1.46 0.00 0.00 -2.93 0.00 0.00 61.98 60.46 1p6t s VAL 46 Cb -0.19 -4.06 0.05 0.00 -1.53 0.00 0.00 36.38 30.65 1p6t s VAL 46 CO -0.06 0.05 -0.05 0.20 -3.33 0.00 0.00 175.10 171.90 1p6t s ASN 47 N 1.19 4.65 -0.11 3.54 0.01 0.76 -0.63 114.94 124.34 1p6t s ASN 47 Ca 0.34 -1.30 -0.00 0.00 -0.71 0.00 0.00 52.86 51.20 1p6t s ASN 47 Cb -0.16 -1.64 -0.02 0.00 0.41 0.00 0.00 41.25 39.84 1p6t s ASN 47 CO 0.11 -0.22 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.69 1p6t s VAL 48 N 1.19 3.32 -0.22 1.60 1.01 0.07 -0.51 120.40 126.87 1p6t s VAL 48 Ca -0.06 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1p6t s VAL 48 Cb -0.20 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.83 1p6t s VAL 48 CO -0.03 0.54 -0.15 -0.63 0.00 0.00 0.00 175.10 174.83 1p6t s ILE 49 N -0.02 2.18 0.23 2.22 1.09 0.38 -1.19 121.20 126.10 1p6t s ILE 49 Ca -0.02 -1.23 -0.17 0.00 -1.10 0.00 0.00 60.65 58.13 1p6t s ILE 49 Cb -0.14 -2.08 0.02 0.00 -1.06 0.00 0.00 42.46 39.19 1p6t s ILE 49 CO 0.04 0.28 0.55 -0.72 -0.10 0.00 0.00 174.94 174.99 1p6t s TYR 50 N 1.21 0.01 -0.09 3.97 -0.85 -1.22 -0.48 117.35 119.91 1p6t s TYR 50 Ca -0.01 -0.39 -0.26 0.00 -0.52 0.00 0.00 57.07 55.88 1p6t s TYR 50 Cb -0.16 0.40 -0.02 0.00 0.38 0.00 0.00 41.96 42.56 1p6t s TYR 50 CO -0.09 -1.02 0.85 0.34 -1.52 0.00 0.00 175.55 174.12 1p6t s ASP 51 N -2.93 7.10 0.00 -0.18 -1.08 0.63 -3.73 116.67 116.48 1p6t s ASP 51 Ca 0.14 1.34 -0.00 0.00 -0.52 0.00 0.00 52.55 53.51 1p6t s ASP 51 Cb -0.02 -2.48 -0.00 0.00 -1.46 0.00 0.00 42.92 38.96 1p6t s ASP 51 CO 0.03 -0.29 1.45 -0.81 0.52 0.00 0.00 175.17 176.07 1p6t n PRO 52 N 4.47 0.73 -0.93 4.34 -0.04 -1.26 -3.18 135.00 139.13 1p6t n PRO 52 Ca 0.04 -0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.44 1p6t n PRO 52 Cb 0.50 -1.14 -0.06 0.00 -0.04 0.00 0.00 33.50 32.76 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 1.64 3.43 0.00 0.55 0.00 -1.26 -4.94 120.51 119.92 1p6t n ALA 53 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1p6t n ALA 53 Cb 0.36 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -4.97 120.64 115.50 1p6t n GLU 54 Ca -0.24 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 1p6t n GLU 54 Cb 0.66 -0.06 0.00 0.00 -0.02 0.00 0.00 31.44 32.03 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 -2.30 0.00 0.00 2.62 -1.04 -1.23 -4.82 114.28 107.51 1p6t n THR 55 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1p6t n THR 55 Cb 0.00 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 1p6t n THR 55 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1p6t n GLY 56 N 2.91 2.57 0.27 3.41 0.00 -1.26 -4.59 105.19 108.50 1p6t n GLY 56 Ca 0.00 -1.17 0.16 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.33 -0.23 2.61 5.66 -1.26 0.49 114.28 122.53 1p6t n THR 57 Ca 0.00 1.71 -0.06 0.00 -3.05 0.00 0.00 64.05 62.65 1p6t n THR 57 Cb 0.00 -2.58 0.05 0.00 -1.55 0.00 0.00 70.33 66.25 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 1.59 0.84 -0.29 1.79 0.00 -1.91 0.33 119.26 121.60 1p6t h ALA 58 Ca 0.54 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.28 1p6t h ALA 58 Cb 1.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1p6t h ALA 58 CO -0.71 0.29 -0.28 0.00 0.00 0.00 0.00 179.25 178.56 1p6t h ALA 59 N 1.22 0.97 0.43 0.00 0.00 -0.21 0.81 119.26 122.47 1p6t h ALA 59 Ca 0.24 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1p6t h ALA 59 Cb -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1p6t h ALA 59 CO -0.05 0.60 -0.34 0.82 0.00 0.00 0.00 179.25 180.29 1p6t h ILE 60 N 0.52 0.31 -0.79 0.00 1.08 -0.40 0.21 117.51 118.43 1p6t h ILE 60 Ca 0.07 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.52 1p6t h ILE 60 Cb 0.75 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 1p6t h ILE 60 CO 0.06 0.00 0.41 0.06 -0.69 0.00 0.00 178.15 177.99 1p6t h GLN 61 N -0.76 1.12 -0.99 2.37 -0.00 -0.87 -0.50 115.11 115.47 1p6t h GLN 61 Ca -0.04 -0.14 0.05 0.00 -0.00 0.00 0.00 58.65 58.52 1p6t h GLN 61 Cb 0.65 -0.21 -0.06 0.00 -0.00 0.00 0.00 27.48 27.86 1p6t h GLN 61 CO -0.00 0.84 0.65 1.49 -0.00 0.00 0.00 178.83 181.80 1p6t h GLU 62 N 1.12 1.17 -0.51 0.06 4.81 -0.49 -1.90 114.58 118.84 1p6t h GLU 62 Ca 0.28 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1p6t h GLU 62 Cb 0.06 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1p6t h GLU 62 CO -0.04 0.77 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.77 1p6t h LYS 63 N 1.20 0.91 -0.62 1.92 1.63 0.10 0.42 116.57 122.14 1p6t h LYS 63 Ca 0.41 -0.30 0.10 0.00 -0.85 0.00 0.00 60.65 60.01 1p6t h LYS 63 Cb 0.10 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 31.58 1p6t h LYS 63 CO -0.15 0.95 0.22 0.82 -3.45 0.00 0.00 179.45 177.85 1p6t h ILE 64 N 0.78 0.75 0.58 2.00 2.04 -0.62 0.20 117.51 123.23 1p6t h ILE 64 Ca 0.14 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1p6t h ILE 64 Cb 0.56 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1p6t h ILE 64 CO 0.03 0.07 -0.32 -0.33 0.00 0.00 0.00 178.15 177.60 1p6t h GLU 65 N 0.40 -0.81 -0.35 2.37 5.08 -0.63 -2.68 114.58 117.96 1p6t h GLU 65 Ca 0.32 0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.76 1p6t h GLU 65 Cb 0.40 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1p6t h GLU 65 CO -0.32 -0.54 0.23 0.87 -1.00 0.00 0.00 179.01 178.25 1p6t h LYS 66 N -0.84 0.33 0.00 2.33 6.56 -0.45 0.15 116.57 124.65 1p6t h LYS 66 Ca -0.07 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 1p6t h LYS 66 Cb 0.67 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 1p6t h LYS 66 CO 0.10 0.22 0.00 1.28 -2.06 0.00 0.00 179.45 178.99 1p6t n LEU 67 N -4.49 0.39 -0.08 2.94 7.99 0.66 -4.85 117.00 119.57 1p6t n LEU 67 Ca 0.03 0.63 0.00 0.00 -0.01 0.00 0.00 56.01 56.66 1p6t n LEU 67 Cb 0.16 -0.62 0.00 0.00 -0.11 0.00 0.00 43.42 42.86 1p6t n LEU 67 CO 0.35 -0.59 0.00 0.61 -1.51 0.00 0.00 177.39 176.25 1p6t n GLY 68 N -0.58 0.98 3.49 -0.72 0.00 0.52 -5.02 105.19 103.85 1p6t n GLY 68 Ca 0.01 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.13 1.80 0.01 1.61 2.02 -1.02 -5.01 117.35 114.62 1p6t s TYR 69 Ca 0.00 -1.23 0.04 0.00 -0.37 0.00 0.00 57.07 55.51 1p6t s TYR 69 Cb 0.00 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.39 1p6t s TYR 69 CO 0.00 -0.26 -0.13 -1.01 -1.57 0.00 0.00 175.55 172.58 1p6t s HIS 70 N -3.27 1.14 0.27 2.71 3.76 -1.24 -4.18 115.29 114.48 1p6t s HIS 70 Ca 0.27 -0.27 -0.10 0.00 -0.15 0.00 0.00 55.06 54.81 1p6t s HIS 70 Cb 0.04 -0.71 -0.07 0.00 1.11 0.00 0.00 32.58 32.95 1p6t s HIS 70 CO 0.15 0.00 0.60 0.14 -0.85 0.00 0.00 174.74 174.78 1p6t s VAL 71 N -0.53 4.89 -0.83 -0.90 -7.23 -1.26 -0.50 120.40 114.04 1p6t s VAL 71 Ca 0.03 0.51 0.06 0.00 -1.81 0.00 0.00 61.98 60.78 1p6t s VAL 71 Cb -0.06 -3.64 0.35 0.00 0.56 0.00 0.00 36.38 33.59 1p6t s VAL 71 CO 0.00 -0.17 1.06 0.52 -0.31 0.00 0.00 175.10 176.21 1p6t n VAL 72 N -0.39 1.11 -2.00 1.32 0.31 -0.29 -4.88 118.33 113.51 1p6t n VAL 72 Ca 0.01 -0.58 -0.32 0.00 -0.01 0.00 0.00 64.34 63.43 1p6t n VAL 72 Cb 0.53 -0.34 0.01 0.00 -0.91 0.00 0.00 33.84 33.13 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 -1.74 3.99 0.03 2.52 2.01 -1.26 -4.59 115.64 116.59 1p6t s THR 73 Ca 0.23 0.87 0.04 0.00 0.31 0.00 0.00 61.69 63.14 1p6t s THR 73 Cb 0.17 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 1p6t s THR 73 CO 0.08 -0.62 -0.11 -1.83 -0.69 0.00 0.00 174.62 171.44 1p6t s GLU 74 N -4.30 0.80 -0.46 4.92 -1.05 -0.81 -4.95 118.70 112.86 1p6t s GLU 74 Ca 0.61 -0.63 -0.20 0.00 -0.15 0.00 0.00 54.97 54.61 1p6t s GLU 74 Cb -0.15 -0.76 0.03 0.00 -0.44 0.00 0.00 34.13 32.82 1p6t s GLU 74 CO 0.40 0.19 0.61 -1.59 0.95 0.00 0.00 175.26 175.82 1p6t s LYS 75 N -0.93 3.20 0.31 -4.83 -2.85 -1.26 -1.72 119.74 111.65 1p6t s LYS 75 Ca 0.00 -0.60 0.11 0.00 -1.00 0.00 0.00 55.97 54.48 1p6t s LYS 75 Cb -0.07 -4.00 -0.06 0.00 -2.06 0.00 0.00 37.83 31.64 1p6t s LYS 75 CO 0.01 -1.06 -0.12 0.00 0.10 0.00 0.00 175.35 174.27 1p6t s ALA 76 N 2.67 2.91 -0.08 0.59 0.00 0.19 -4.98 121.76 123.06 1p6t s ALA 76 Ca 0.19 -1.95 0.05 0.00 0.00 0.00 0.00 51.96 50.24 1p6t s ALA 76 Cb -0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 1p6t s ALA 76 CO 0.16 0.18 -0.23 -1.21 0.00 0.00 0.00 175.76 174.66 1p6t s GLU 77 N -3.58 2.69 0.14 0.00 2.02 -1.26 -0.36 118.70 118.35 1p6t s GLU 77 Ca 0.32 -0.83 0.11 0.00 0.02 0.00 0.00 54.97 54.58 1p6t s GLU 77 Cb -0.02 -2.13 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 1p6t s GLU 77 CO 0.16 0.23 -0.24 -0.06 0.02 0.00 0.00 175.26 175.38 1p6t s PHE 78 N 0.19 2.36 -0.12 1.61 0.40 0.37 -2.24 117.98 120.55 1p6t s PHE 78 Ca -0.13 -0.35 -0.03 0.00 -0.60 0.00 0.00 56.93 55.82 1p6t s PHE 78 Cb -0.16 -1.24 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 1p6t s PHE 78 CO 0.06 0.39 0.00 0.34 0.70 0.00 0.00 175.22 176.72 1p6t s ASP 79 N -2.25 5.18 -0.13 1.36 2.15 0.45 -0.60 116.67 122.83 1p6t s ASP 79 Ca 0.17 0.06 -0.03 0.00 0.43 0.00 0.00 52.55 53.17 1p6t s ASP 79 Cb -0.10 -1.64 -0.03 0.00 -0.30 0.00 0.00 42.92 40.85 1p6t s ASP 79 CO 0.08 0.29 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.72 1p6t s ILE 80 N -0.32 4.13 -0.50 4.11 1.01 -0.16 0.03 121.20 129.49 1p6t s ILE 80 Ca 0.07 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.46 1p6t s ILE 80 Cb -0.12 -2.78 0.13 0.00 0.01 0.00 0.00 42.46 39.69 1p6t s ILE 80 CO 0.02 0.53 0.25 -1.83 0.00 0.00 0.00 174.94 173.91 1p6t s GLU 81 N -0.09 1.84 0.00 2.79 -1.05 -0.97 -4.79 118.70 116.43 1p6t s GLU 81 Ca 0.03 -2.49 0.00 0.00 -0.15 0.00 0.00 54.97 52.36 1p6t s GLU 81 Cb -0.13 -3.13 0.00 0.00 -0.44 0.00 0.00 34.13 30.43 1p6t s GLU 81 CO 0.02 -1.12 0.00 0.41 0.95 0.00 0.00 175.26 175.53 1p6t n GLY 82 N 3.21 -0.03 3.56 -3.83 0.00 -1.26 -3.87 105.19 102.97 1p6t n GLY 82 Ca 0.06 0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.02 1.12 -2.72 1.61 0.00 -1.26 -4.93 117.12 108.91 1p6t n MET 83 Ca 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 57.70 58.05 1p6t n MET 83 Cb 0.00 -1.74 0.08 0.00 0.00 0.00 0.00 33.22 31.56 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 0.47 0.58 -3.05 3.17 5.66 -1.26 -4.99 114.28 114.87 1p6t n THR 84 Ca 0.12 -2.11 -0.13 0.00 -3.05 0.00 0.00 64.05 58.88 1p6t n THR 84 Cb 0.29 1.02 0.05 0.00 -1.55 0.00 0.00 70.33 70.14 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 -3.53 4.22 -1.98 0.00 0.00 -1.26 -4.96 120.51 113.00 1p6t n ALA 86 Ca -0.09 -3.56 -0.14 0.00 0.00 0.00 0.00 53.44 49.65 1p6t n ALA 86 Cb 0.57 -0.58 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.55 -0.51 -0.01 0.00 0.00 -1.26 -4.85 120.51 113.32 1p6t n ALA 87 Ca 0.29 0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.77 1p6t n ALA 87 Cb 0.84 -1.57 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 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 0.73 1.89 -0.19 0.00 0.00 -1.95 0.42 119.26 120.15 1p6t h ALA 89 Ca 0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1p6t h ALA 89 Cb 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1p6t h ALA 89 CO 0.00 -0.02 -0.47 -0.91 0.00 0.00 0.00 179.25 177.85 1p6t h ASN 90 N 0.55 0.75 0.08 0.00 2.35 -1.64 -0.28 115.58 117.38 1p6t h ASN 90 Ca 0.30 -0.57 -0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1p6t h ASN 90 Cb 0.44 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1p6t h ASN 90 CO -0.09 1.18 -0.04 0.03 -1.65 0.00 0.00 177.43 176.87 1p6t h ARG 91 N 0.35 -0.10 -0.55 0.81 2.47 0.11 -2.35 114.38 115.12 1p6t h ARG 91 Ca -0.00 0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1p6t h ARG 91 Cb 1.09 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.40 1p6t h ARG 91 CO 0.10 -0.02 0.23 -0.84 0.56 0.00 0.00 179.97 180.00 1p6t h ILE 92 N -0.15 1.20 0.23 2.04 -0.00 -0.99 -3.11 117.51 116.72 1p6t h ILE 92 Ca -0.01 -0.61 0.00 0.00 -0.00 0.00 0.00 64.86 64.24 1p6t h ILE 92 Cb 0.13 0.53 -0.03 0.00 -0.00 0.00 0.00 36.82 37.45 1p6t h ILE 92 CO 0.02 0.24 -0.45 -0.08 -0.00 0.00 0.00 178.15 177.88 1p6t h GLU 93 N 0.79 -0.71 -0.99 0.16 4.22 -0.62 0.16 114.58 117.58 1p6t h GLU 93 Ca 0.19 0.05 0.27 0.00 0.08 0.00 0.00 59.36 59.95 1p6t h GLU 93 Cb 0.15 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1p6t h GLU 93 CO -0.02 -0.48 0.69 0.87 -2.18 0.00 0.00 179.01 177.89 1p6t h LYS 94 N -0.74 0.16 0.01 1.92 6.56 -1.41 0.17 116.57 123.24 1p6t h LYS 94 Ca -0.02 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1p6t h LYS 94 Cb 0.70 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.32 1p6t h LYS 94 CO -0.18 0.11 -0.00 0.00 -2.06 0.00 0.00 179.45 177.32 1p6t h ARG 95 N 0.16 -0.01 -0.91 3.15 2.47 -1.07 -3.37 114.38 114.81 1p6t h ARG 95 Ca 0.50 0.00 0.23 0.00 -1.26 0.00 0.00 59.98 59.45 1p6t h ARG 95 Cb 1.69 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.85 1p6t h ARG 95 CO -0.10 -0.01 0.01 -0.07 0.56 0.00 0.00 179.97 180.36 1p6t h LEU 96 N -0.02 -0.45 -0.51 3.04 3.38 -0.09 -1.31 115.31 119.35 1p6t h LEU 96 Ca -0.00 0.25 0.17 0.00 0.09 0.00 0.00 57.88 58.39 1p6t h LEU 96 Cb 0.01 0.44 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 1p6t h LEU 96 CO 0.00 -0.28 0.13 -3.20 0.09 0.00 0.00 178.44 175.18 1p6t n ASN 97 N -5.44 0.04 -2.81 -0.43 2.85 0.53 -2.78 115.26 107.23 1p6t n ASN 97 Ca 0.19 0.86 -0.11 0.00 -0.11 0.00 0.00 54.58 55.42 1p6t n ASN 97 Cb 0.64 -0.36 0.06 0.00 1.24 0.00 0.00 39.78 41.36 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 -4.41 0.97 0.11 1.20 2.85 -0.52 -4.30 118.16 114.05 1p6t n LYS 98 Ca 0.15 -2.16 -0.04 0.00 -1.05 0.00 0.00 58.31 55.21 1p6t n LYS 98 Cb 0.51 -1.20 -0.02 0.00 -0.65 0.00 0.00 35.03 33.68 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 2.67 0.00 0.00 0.58 1.08 -1.30 -3.48 117.51 117.06 1p6t h ILE 99 Ca -0.07 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1p6t h ILE 99 Cb 1.06 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1p6t h ILE 99 CO 0.22 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 177.06 1p6t n GLU 100 N -2.75 0.00 -1.00 2.37 1.02 -1.26 -4.96 120.64 114.07 1p6t n GLU 100 Ca -0.03 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.98 1p6t n GLU 100 Cb 0.11 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.36 1p6t n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p6t n GLY 101 N 0.00 3.00 3.47 0.62 0.00 -1.19 -4.25 105.19 106.84 1p6t n GLY 101 Ca 0.00 -1.21 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 1p6t n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p6t s VAL 102 N 1.02 4.27 -0.04 1.61 1.01 -1.26 -0.56 120.40 126.45 1p6t s VAL 102 Ca 0.67 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.27 1p6t s VAL 102 Cb 0.32 -2.97 -0.32 0.00 0.00 0.00 0.00 36.38 33.41 1p6t s VAL 102 CO -0.00 0.38 0.84 0.00 0.00 0.00 0.00 175.10 176.32 1p6t h ALA 103 N 7.83 -0.05 -2.78 5.51 0.00 -0.72 -3.43 119.26 125.63 1p6t h ALA 103 Ca -0.37 -0.84 -0.05 0.00 0.00 0.00 0.00 54.91 53.65 1p6t h ALA 103 Cb 1.18 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 19.06 1p6t h ALA 103 CO 0.60 0.59 -0.07 -0.80 0.00 0.00 0.00 179.25 179.57 1p6t s ASN 104 N -7.17 -0.21 -0.47 0.00 0.01 -0.82 -4.20 114.94 102.08 1p6t s ASN 104 Ca -0.14 -0.42 0.05 0.00 -0.71 0.00 0.00 52.86 51.64 1p6t s ASN 104 Cb 0.03 0.50 0.27 0.00 0.41 0.00 0.00 41.25 42.45 1p6t s ASN 104 CO 0.85 -0.91 0.99 0.00 -1.51 0.00 0.00 177.10 176.52 1p6t n ALA 105 N -0.26 -1.46 -1.77 0.60 0.00 -1.26 -0.39 120.51 115.97 1p6t n ALA 105 Ca -0.13 -1.31 -0.36 0.00 0.00 0.00 0.00 53.44 51.63 1p6t n ALA 105 Cb 0.63 -1.48 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.53 3.52 0.06 0.00 0.04 -1.23 -4.46 135.00 133.47 1p6t s PRO 106 Ca 0.29 1.72 0.08 0.00 0.04 0.00 0.00 61.00 63.13 1p6t s PRO 106 Cb 0.25 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1p6t s PRO 106 CO -0.19 -0.74 -0.22 0.08 0.04 0.00 0.00 177.00 175.97 1p6t s VAL 107 N -1.64 1.82 0.13 -0.36 1.01 -1.26 -0.86 120.40 119.24 1p6t s VAL 107 Ca 0.69 -1.34 0.06 0.00 0.00 0.00 0.00 61.98 61.38 1p6t s VAL 107 Cb -0.27 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1p6t s VAL 107 CO 0.32 0.18 0.03 0.20 0.00 0.00 0.00 175.10 175.83 1p6t s ASN 108 N -1.38 5.04 0.00 3.32 -0.87 0.15 -5.00 114.94 116.19 1p6t s ASN 108 Ca 0.09 -0.23 0.11 0.00 -1.57 0.00 0.00 52.86 51.26 1p6t s ASN 108 Cb -0.09 -1.19 0.13 0.00 -0.02 0.00 0.00 41.25 40.08 1p6t s ASN 108 CO 0.03 0.13 0.94 0.33 -2.57 0.00 0.00 177.10 175.95 1p6t n PHE 109 N 0.18 0.09 -0.07 2.20 7.35 -1.26 -3.86 117.46 122.09 1p6t n PHE 109 Ca -0.10 -0.10 -0.14 0.00 -0.76 0.00 0.00 57.45 56.35 1p6t n PHE 109 Cb 0.53 -0.01 -0.05 0.00 0.35 0.00 0.00 39.48 40.30 1p6t n PHE 109 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1p6t n ALA 110 N 0.62 1.97 0.18 3.13 0.00 -1.26 -4.64 120.51 120.51 1p6t n ALA 110 Ca 0.08 -0.58 0.08 0.00 0.00 0.00 0.00 53.44 53.01 1p6t n ALA 110 Cb 0.31 0.28 0.10 0.00 0.00 0.00 0.00 19.45 20.14 1p6t n ALA 110 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1p6t h LEU 111 N -0.41 0.00 -1.25 0.00 3.38 -2.01 -3.48 115.31 111.55 1p6t h LEU 111 Ca -0.36 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.33 1p6t h LEU 111 Cb 1.36 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.23 1p6t h LEU 111 CO -0.19 0.22 -0.55 -0.62 0.09 0.00 0.00 178.44 177.40 1p6t n GLU 112 N -3.13 -5.68 -4.30 1.13 1.02 -1.25 -4.93 120.64 103.50 1p6t n GLU 112 Ca 0.03 0.64 -0.22 0.00 -0.02 0.00 0.00 57.16 57.59 1p6t n GLU 112 Cb 0.62 -5.09 -0.12 0.00 -0.02 0.00 0.00 31.44 26.84 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 -3.26 1.70 -0.10 2.62 -4.23 -1.25 -0.99 115.64 110.14 1p6t s THR 113 Ca 0.26 -1.75 0.03 0.00 -1.18 0.00 0.00 61.69 59.04 1p6t s THR 113 Cb -0.11 -1.69 0.01 0.00 1.34 0.00 0.00 72.50 72.04 1p6t s THR 113 CO 0.56 -0.24 -0.20 0.54 -0.54 0.00 0.00 174.62 174.73 1p6t s VAL 114 N -1.75 1.79 0.24 2.29 0.11 0.23 -0.68 120.40 122.63 1p6t s VAL 114 Ca 0.11 -0.85 -0.25 0.00 -2.93 0.00 0.00 61.98 58.05 1p6t s VAL 114 Cb -0.07 -1.57 -0.09 0.00 -1.53 0.00 0.00 36.38 33.12 1p6t s VAL 114 CO 0.05 0.50 0.85 -0.89 -3.33 0.00 0.00 175.10 172.28 1p6t s THR 115 N 0.52 4.29 -0.17 5.04 2.01 -0.04 -0.48 115.64 126.83 1p6t s THR 115 Ca -0.16 1.75 0.00 0.00 0.31 0.00 0.00 61.69 63.59 1p6t s THR 115 Cb -0.17 -4.09 0.04 0.00 0.01 0.00 0.00 72.50 68.29 1p6t s THR 115 CO 0.06 0.35 -0.08 0.54 -0.69 0.00 0.00 174.62 174.79 1p6t s VAL 116 N -1.36 1.33 -0.59 3.82 0.11 0.51 -3.49 120.40 120.72 1p6t s VAL 116 Ca 0.42 -0.70 -0.07 0.00 -2.93 0.00 0.00 61.98 58.70 1p6t s VAL 116 Cb -0.21 -1.41 0.15 0.00 -1.53 0.00 0.00 36.38 33.38 1p6t s VAL 116 CO 0.26 0.22 0.44 -0.70 -3.33 0.00 0.00 175.10 171.99 1p6t s GLU 117 N 1.55 2.67 0.09 1.54 -6.30 0.47 -0.64 118.70 118.08 1p6t s GLU 117 Ca 0.01 -2.19 -0.12 0.00 -2.50 0.00 0.00 54.97 50.16 1p6t s GLU 117 Cb -0.15 -3.91 0.02 0.00 0.00 0.00 0.00 34.13 30.09 1p6t s GLU 117 CO -0.08 -1.19 0.29 1.52 0.02 0.00 0.00 175.26 175.82 1p6t s TYR 118 N 0.57 -0.03 -0.41 5.30 1.13 -0.70 -0.05 117.35 123.16 1p6t s TYR 118 Ca 0.12 -0.29 -0.27 0.00 -1.41 0.00 0.00 57.07 55.22 1p6t s TYR 118 Cb -0.21 0.09 0.02 0.00 -1.10 0.00 0.00 41.96 40.76 1p6t s TYR 118 CO -0.04 -0.59 0.99 1.21 -2.51 0.00 0.00 175.55 174.61 1p6t s ASN 119 N -2.67 6.66 0.00 -0.18 2.47 0.27 -1.92 114.94 119.58 1p6t s ASN 119 Ca 0.02 0.52 0.00 0.00 0.42 0.00 0.00 52.86 53.82 1p6t s ASN 119 Cb 0.03 -2.49 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 1p6t s ASN 119 CO -0.10 -0.99 0.70 -0.81 -3.72 0.00 0.00 177.10 172.19 1p6t n PRO 120 N 7.10 0.77 -0.12 0.43 -0.04 -1.26 -2.68 135.00 139.20 1p6t n PRO 120 Ca 0.09 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.31 1p6t n PRO 120 Cb 0.48 -1.07 -0.08 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.39 0.56 -0.01 0.54 4.76 -1.26 -4.60 118.16 117.76 1p6t n LYS 121 Ca 0.00 0.24 -0.10 0.00 -2.87 0.00 0.00 58.31 55.58 1p6t n LYS 121 Cb 0.03 -1.46 -0.04 0.00 -1.84 0.00 0.00 35.03 31.72 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 -0.98 0.08 -5.08 1.97 3.07 -1.90 -3.45 114.58 108.29 1p6t h GLU 122 Ca -0.51 -0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 57.69 1p6t h GLU 122 Cb 1.44 -0.02 -0.13 0.00 -0.84 0.00 0.00 28.75 29.20 1p6t h GLU 122 CO -0.31 0.05 -0.50 0.00 -1.40 0.00 0.00 179.01 176.86 1p6t s ALA 123 N -6.19 3.83 0.19 3.43 0.00 -1.09 -5.00 121.76 116.93 1p6t s ALA 123 Ca -0.13 -0.42 -0.23 0.00 0.00 0.00 0.00 51.96 51.18 1p6t s ALA 123 Cb 0.08 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.55 1p6t s ALA 123 CO 0.68 -0.13 0.72 -1.12 0.00 0.00 0.00 175.76 175.90 1p6t s SER 124 N -3.81 -0.38 0.47 0.00 0.01 -1.26 -4.13 113.70 104.60 1p6t s SER 124 Ca 0.08 -0.29 0.33 0.00 1.31 0.00 0.00 55.95 57.38 1p6t s SER 124 Cb 0.00 0.62 1.45 0.00 0.21 0.00 0.00 66.02 68.30 1p6t s SER 124 CO 0.06 -1.08 1.66 -0.37 0.41 0.00 0.00 173.24 173.92 1p6t h VAL 125 N 2.00 0.20 -0.81 3.43 -1.51 -1.99 0.14 116.25 117.71 1p6t h VAL 125 Ca -0.26 -0.04 0.16 0.00 -1.23 0.00 0.00 66.70 65.34 1p6t h VAL 125 Cb 1.27 0.08 -0.10 0.00 -2.13 0.00 0.00 31.29 30.41 1p6t h VAL 125 CO 0.30 0.02 0.35 0.28 -1.23 0.00 0.00 177.57 177.29 1p6t h SER 126 N 0.10 0.34 0.25 4.19 0.02 -1.98 0.18 113.55 116.65 1p6t h SER 126 Ca 0.77 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.83 1p6t h SER 126 Cb 2.57 0.08 0.00 0.00 0.14 0.00 0.00 62.40 65.20 1p6t h SER 126 CO -0.28 0.11 -0.12 -0.78 -1.14 0.00 0.00 176.83 174.62 1p6t h ASP 127 N 0.48 -0.28 -0.23 3.07 3.58 -1.13 -1.23 116.42 120.67 1p6t h ASP 127 Ca 0.46 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.87 1p6t h ASP 127 Cb 0.73 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1p6t h ASP 127 CO -0.42 -0.15 0.15 -0.07 -2.88 0.00 0.00 179.24 175.86 1p6t h LEU 128 N -0.40 0.26 -0.16 2.28 3.38 -1.43 0.19 115.31 119.43 1p6t h LEU 128 Ca -0.03 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1p6t h LEU 128 Cb 0.30 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1p6t h LEU 128 CO 0.06 0.19 -0.49 0.11 0.09 0.00 0.00 178.44 178.40 1p6t h LYS 129 N 0.30 -0.51 -0.50 1.13 1.79 -0.63 0.96 116.57 119.12 1p6t h LYS 129 Ca 0.08 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1p6t h LYS 129 Cb -0.03 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 1p6t h LYS 129 CO -0.02 -0.34 0.31 1.49 -1.08 0.00 0.00 179.45 179.81 1p6t h GLU 130 N -0.53 0.66 -0.17 3.15 4.81 -0.18 0.12 114.58 122.44 1p6t h GLU 130 Ca 0.06 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1p6t h GLU 130 Cb 0.66 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1p6t h GLU 130 CO -0.44 0.47 0.03 0.00 -0.73 0.00 0.00 179.01 178.34 1p6t h ALA 131 N 1.16 0.17 -0.21 2.92 0.00 -0.35 0.56 119.26 123.51 1p6t h ALA 131 Ca 0.18 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1p6t h ALA 131 Cb -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1p6t h ALA 131 CO -0.04 -0.41 -0.47 0.28 0.00 0.00 0.00 179.25 178.62 1p6t h VAL 132 N 0.10 1.31 -0.05 0.00 2.07 -0.50 0.13 116.25 119.31 1p6t h VAL 132 Ca 0.08 -1.67 0.03 0.00 0.82 0.00 0.00 66.70 65.96 1p6t h VAL 132 Cb 0.07 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1p6t h VAL 132 CO -0.10 0.52 -0.17 -0.78 0.02 0.00 0.00 177.57 177.05 1p6t h ASP 133 N 0.43 -0.52 -0.82 0.57 1.82 -0.35 0.11 116.42 117.66 1p6t h ASP 133 Ca 0.03 0.08 0.08 0.00 -0.39 0.00 0.00 57.03 56.82 1p6t h ASP 133 Cb 0.98 0.23 -0.07 0.00 0.68 0.00 0.00 39.33 41.15 1p6t h ASP 133 CO 0.09 -0.23 0.49 0.50 -1.61 0.00 0.00 179.24 178.48 1p6t h LYS 134 N -0.26 0.83 0.00 0.28 3.64 -0.50 0.21 116.57 120.77 1p6t h LYS 134 Ca 0.07 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1p6t h LYS 134 Cb 0.35 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1p6t h LYS 134 CO -0.20 0.55 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.42 1p6t h LEU 135 N 0.86 0.00 0.00 5.20 -0.00 -0.31 -3.47 115.31 117.60 1p6t h LEU 135 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.26 1p6t h LEU 135 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 1p6t h LEU 135 CO -0.21 0.05 0.00 0.61 -0.00 0.00 0.00 178.44 178.89 1p6t n GLY 136 N -0.59 1.75 0.00 0.83 0.00 0.73 -5.06 105.19 102.86 1p6t n GLY 136 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.95 -0.03 -3.59 1.61 4.01 -0.24 -4.99 117.16 112.98 1p6t n TYR 137 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 1p6t n TYR 137 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 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 -0.16 1.17 0.04 -0.72 0.00 -1.25 -2.85 119.74 115.96 1p6t s LYS 138 Ca 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 55.97 55.34 1p6t s LYS 138 Cb 0.00 0.51 -0.04 0.00 0.00 0.00 0.00 37.83 38.30 1p6t s LYS 138 CO 0.00 -0.48 -0.02 -0.51 0.00 0.00 0.00 175.35 174.34 1p6t s LEU 139 N -2.80 3.40 0.37 2.77 1.43 -1.26 -2.29 118.68 120.30 1p6t s LEU 139 Ca 0.03 -0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.10 1p6t s LEU 139 Cb 0.01 -2.03 -0.07 0.00 0.03 0.00 0.00 46.19 44.13 1p6t s LEU 139 CO -0.11 0.24 -0.01 -0.54 0.23 0.00 0.00 176.35 176.16 1p6t s LYS 140 N -1.85 1.97 -0.19 1.70 1.02 0.10 -4.96 119.74 117.54 1p6t s LYS 140 Ca 0.21 -1.93 -0.08 0.00 0.02 0.00 0.00 55.97 54.20 1p6t s LYS 140 Cb -0.11 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.38 1p6t s LYS 140 CO 0.13 0.05 0.07 -0.51 -0.92 0.00 0.00 175.35 174.17 1p6t s LEU 141 N -3.70 3.80 -1.29 3.17 1.02 -1.26 -0.41 118.68 120.01 1p6t s LEU 141 Ca 0.35 0.06 -0.18 0.00 0.02 0.00 0.00 54.13 54.38 1p6t s LEU 141 Cb 0.04 -1.97 0.08 0.00 0.02 0.00 0.00 46.19 44.36 1p6t s LEU 141 CO 0.18 0.15 1.71 0.29 0.02 0.00 0.00 176.35 178.70 1p6t n LYS 142 N 3.69 3.22 0.00 1.70 5.02 -0.95 -4.61 118.16 126.22 1p6t n LYS 142 Ca -0.16 -3.34 0.00 0.00 -2.02 0.00 0.00 58.31 52.79 1p6t n LYS 142 Cb 0.52 -3.45 0.00 0.00 -0.02 0.00 0.00 35.03 32.08 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 5.26 1.89 3.99 0.72 0.00 -1.26 -4.74 105.19 111.05 1p6t n GLY 143 Ca 0.48 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.59 0.04 1.61 1.02 -1.26 -4.51 120.64 116.94 1p6t n GLU 144 Ca 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1p6t n GLU 144 Cb 0.00 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 29.30 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 -4.07 0.00 -2.76 3.49 -0.06 -1.26 -5.07 117.38 107.65 1p6t n GLN 145 Ca -0.15 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.81 1p6t n GLN 145 Cb 0.48 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.63 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 -2.55 -3.25 -2.45 1.69 2.03 -1.26 -4.04 116.55 106.72 1p6t n ASP 146 Ca 0.00 1.23 -0.18 0.00 0.52 0.00 0.00 54.79 56.35 1p6t n ASP 146 Cb 0.00 -4.25 -0.01 0.00 -0.72 0.00 0.00 41.12 36.15 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 1.77 -5.31 0.00 1.67 7.64 -1.26 -3.77 113.62 114.36 1p6t n SER 147 Ca -0.26 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1p6t n SER 147 Cb 0.43 -4.44 0.00 0.00 -1.01 0.00 0.00 64.21 59.19 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 -3.85 0.00 0.00 0.44 5.41 -1.26 -4.83 119.36 115.27 1p6t n ILE 148 Ca -0.21 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.54 1p6t n ILE 148 Cb 0.66 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.59 1p6t n ILE 148 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1p6t n GLU 149 N 0.00 0.00 -3.88 0.38 0.28 -1.25 -4.70 120.64 111.47 1p6t n GLU 149 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.91 1p6t n GLU 149 Cb 0.00 -1.76 -0.07 0.00 1.43 0.00 0.00 31.44 31.04 1p6t n GLU 149 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1p6t s GLY 150 N -0.33 0.21 0.00 -1.84 0.00 -1.26 -5.20 107.32 98.90 1p6t s GLY 150 Ca 0.00 -0.68 0.30 0.00 0.00 0.00 0.00 44.72 44.34 1p6t s GLY 150 CO 0.00 -0.79 1.99 0.54 0.00 0.00 0.00 173.10 174.84