#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6t h LEU 2 N 0.00 -0.44 0.00 4.03 8.10 -2.02 -3.45 115.31 121.53 1p6t h LEU 2 Ca 0.00 -0.11 -0.11 0.00 0.11 0.00 0.00 57.88 57.77 1p6t h LEU 2 Cb 0.00 0.11 0.01 0.00 -0.44 0.00 0.00 40.66 40.34 1p6t h LEU 2 CO 0.00 -0.12 -0.02 -1.54 -4.11 0.00 0.00 178.44 172.65 1p6t n SER 3 N -5.21 0.51 -0.81 0.17 3.41 -1.26 -4.72 113.62 105.71 1p6t n SER 3 Ca -0.10 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 1p6t n SER 3 Cb 0.28 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1p6t n SER 3 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1p6t n GLU 4 N -1.27 0.00 -1.21 4.33 2.13 -1.26 -4.95 120.64 118.41 1p6t n GLU 4 Ca 0.04 0.00 0.16 0.00 0.66 0.00 0.00 57.16 58.01 1p6t n GLU 4 Cb 0.14 -1.60 -0.06 0.00 0.27 0.00 0.00 31.44 30.19 1p6t n GLU 4 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1p6t n GLN 5 N -0.81 -2.64 -4.10 5.31 1.13 -1.26 -4.79 117.38 110.22 1p6t n GLN 5 Ca 0.00 1.98 -0.13 0.00 -1.94 0.00 0.00 57.00 56.91 1p6t n GLN 5 Cb 0.36 -3.14 -0.06 0.00 0.11 0.00 0.00 30.24 27.51 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 -3.12 1.67 -0.11 -1.09 -2.85 0.11 -4.74 119.74 109.62 1p6t s LYS 6 Ca 0.00 -1.63 0.02 0.00 -1.00 0.00 0.00 55.97 53.36 1p6t s LYS 6 Cb 0.00 0.41 0.01 0.00 -2.06 0.00 0.00 37.83 36.19 1p6t s LYS 6 CO 0.00 -0.67 -0.15 -1.21 0.10 0.00 0.00 175.35 173.42 1p6t s GLU 7 N -3.54 2.18 -0.20 1.78 8.01 -1.26 -1.99 118.70 123.68 1p6t s GLU 7 Ca 0.31 -0.55 -0.02 0.00 0.01 0.00 0.00 54.97 54.72 1p6t s GLU 7 Cb 0.01 -1.86 -0.00 0.00 -4.31 0.00 0.00 34.13 27.97 1p6t s GLU 7 CO 0.16 -0.06 -0.09 -1.50 0.01 0.00 0.00 175.26 173.79 1p6t s ILE 8 N 0.99 3.09 -0.23 -1.63 1.10 0.24 -4.95 121.20 119.80 1p6t s ILE 8 Ca -0.07 -0.60 -0.02 0.00 -0.51 0.00 0.00 60.65 59.46 1p6t s ILE 8 Cb -0.15 -2.37 0.02 0.00 0.15 0.00 0.00 42.46 40.11 1p6t s ILE 8 CO -0.01 0.46 -0.08 0.00 -2.11 0.00 0.00 174.94 173.20 1p6t s ALA 9 N 1.23 2.67 0.26 1.50 0.00 -1.26 -0.73 121.76 125.42 1p6t s ALA 9 Ca 0.03 -1.35 -0.05 0.00 0.00 0.00 0.00 51.96 50.59 1p6t s ALA 9 Cb -0.14 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 1p6t s ALA 9 CO -0.03 -0.64 0.35 -1.64 0.00 0.00 0.00 175.76 173.79 1p6t s MET 10 N 1.36 1.53 -0.02 0.00 -1.94 0.09 -3.64 119.30 116.67 1p6t s MET 10 Ca 0.02 -1.55 0.02 0.00 -1.71 0.00 0.00 55.69 52.48 1p6t s MET 10 Cb -0.15 0.39 -0.03 0.00 2.01 0.00 0.00 34.83 37.04 1p6t s MET 10 CO -0.06 -0.59 -0.06 -0.65 -0.01 0.00 0.00 175.02 173.65 1p6t s GLN 11 N -3.81 2.63 0.01 2.03 -0.21 -1.26 0.12 119.66 119.18 1p6t s GLN 11 Ca 0.31 -0.65 0.01 0.00 0.02 0.00 0.00 55.36 55.05 1p6t s GLN 11 Cb 0.02 -2.54 -0.01 0.00 1.00 0.00 0.00 33.01 31.48 1p6t s GLN 11 CO 0.14 0.63 -0.04 0.54 -2.12 0.00 0.00 175.29 174.44 1p6t s VAL 12 N -0.94 0.24 0.51 1.09 0.11 -1.25 -1.02 120.40 119.15 1p6t s VAL 12 Ca 0.16 -0.50 0.09 0.00 -2.93 0.00 0.00 61.98 58.80 1p6t s VAL 12 Cb -0.11 -0.28 0.05 0.00 -1.53 0.00 0.00 36.38 34.51 1p6t s VAL 12 CO 0.06 -0.17 0.66 -0.44 -3.33 0.00 0.00 175.10 171.87 1p6t s SER 13 N -0.71 5.21 -0.27 3.54 0.01 0.49 -4.53 113.70 117.45 1p6t s SER 13 Ca -0.05 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1p6t s SER 13 Cb -0.05 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1p6t s SER 13 CO -0.00 -1.09 0.00 0.61 0.41 0.00 0.00 173.24 173.16 1p6t n GLY 14 N -2.03 0.47 3.57 3.44 0.00 -1.26 -4.25 105.19 105.13 1p6t n GLY 14 Ca 0.11 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.46 2.73 0.65 1.61 1.00 -1.26 -4.77 119.30 117.79 1p6t s MET 15 Ca 0.00 -0.81 0.40 0.00 0.00 0.00 0.00 55.69 55.28 1p6t s MET 15 Cb 0.00 -5.19 2.24 0.00 0.00 0.00 0.00 34.83 31.88 1p6t s MET 15 CO 0.00 -3.41 2.32 1.15 0.00 0.00 0.00 175.02 175.08 1p6t h THR 16 N 6.70 0.14 -3.85 2.05 2.02 -1.96 -3.48 112.91 114.54 1p6t h THR 16 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.36 1p6t h THR 16 Cb 0.97 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1p6t h THR 16 CO 1.25 0.00 -0.42 0.00 0.37 0.00 0.00 175.52 176.73 1p6t n ALA 18 N 0.31 0.00 -0.13 0.00 0.00 -1.26 -4.91 120.51 114.52 1p6t n ALA 18 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1p6t n ALA 18 Cb 0.02 0.00 0.44 0.00 0.00 0.00 0.00 19.45 19.91 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 1.90 0.77 0.00 0.00 -1.98 -1.94 119.26 118.01 1p6t h ALA 19 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1p6t h ALA 19 Cb 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1p6t h ALA 19 CO 0.00 -0.03 -0.37 0.00 0.00 0.00 0.00 179.25 178.85 1p6t h ALA 21 N -1.18 -0.53 -0.92 0.00 0.00 -1.90 -0.81 119.26 113.91 1p6t h ALA 21 Ca -0.11 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1p6t h ALA 21 Cb 0.81 0.77 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 1p6t h ALA 21 CO 0.17 -0.89 0.59 0.00 0.00 0.00 0.00 179.25 179.13 1p6t h ALA 22 N 0.21 1.57 -0.18 0.00 0.00 -1.25 0.12 119.26 119.73 1p6t h ALA 22 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1p6t h ALA 22 Cb 0.61 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1p6t h ALA 22 CO -0.41 0.25 0.03 0.00 0.00 0.00 0.00 179.25 179.12 1p6t h ARG 23 N 0.96 0.30 -0.09 0.00 2.47 0.28 0.13 114.38 118.42 1p6t h ARG 23 Ca 0.42 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 59.05 1p6t h ARG 23 Cb 0.35 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1p6t h ARG 23 CO -0.18 0.47 0.03 0.82 0.56 0.00 0.00 179.97 181.67 1p6t h ILE 24 N 0.09 1.16 -0.20 2.04 2.04 0.27 0.16 117.51 123.06 1p6t h ILE 24 Ca 0.05 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.47 1p6t h ILE 24 Cb 0.31 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1p6t h ILE 24 CO 0.00 0.14 -0.01 -0.33 0.00 0.00 0.00 178.15 177.95 1p6t h GLU 25 N -0.03 0.04 -0.59 2.37 5.08 -0.78 0.43 114.58 121.11 1p6t h GLU 25 Ca 0.03 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1p6t h GLU 25 Cb 0.19 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1p6t h GLU 25 CO -0.00 0.03 0.37 -0.22 -1.00 0.00 0.00 179.01 178.18 1p6t h LYS 26 N 0.05 0.71 -0.65 2.33 3.64 -0.64 0.13 116.57 122.13 1p6t h LYS 26 Ca 0.10 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1p6t h LYS 26 Cb 0.13 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1p6t h LYS 26 CO -0.17 0.47 0.21 0.78 -2.27 0.00 0.00 179.45 178.47 1p6t h GLY 27 N 0.73 1.06 0.70 5.01 0.00 0.12 -2.63 103.07 108.06 1p6t h GLY 27 Ca 0.23 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 1p6t h GLY 27 CO -0.08 0.56 -0.23 1.41 0.00 0.00 0.00 176.54 178.19 1p6t h LEU 28 N 0.96 0.38 -1.51 3.11 3.38 0.22 -3.02 115.31 118.84 1p6t h LEU 28 Ca 0.22 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1p6t h LEU 28 Cb 0.26 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1p6t h LEU 28 CO -0.01 0.88 0.10 0.11 0.09 0.00 0.00 178.44 179.62 1p6t h LYS 29 N -0.10 0.00 -0.39 1.13 1.57 -0.63 0.13 116.57 118.28 1p6t h LYS 29 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1p6t h LYS 29 Cb 0.83 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1p6t h LYS 29 CO 0.05 0.00 0.14 -0.09 -0.57 0.00 0.00 179.45 178.98 1p6t h ARG 30 N 0.00 0.56 -7.03 3.15 9.65 -1.33 -3.46 114.38 115.92 1p6t h ARG 30 Ca 0.00 -0.08 -0.50 0.00 -1.10 0.00 0.00 59.98 58.30 1p6t h ARG 30 Cb 0.20 -0.10 0.06 0.00 -1.39 0.00 0.00 29.97 28.74 1p6t h ARG 30 CO 0.00 0.48 0.45 -1.64 2.80 0.00 0.00 179.97 182.06 1p6t s MET 31 N -5.23 3.69 0.04 0.20 -1.94 0.45 -4.99 119.30 111.52 1p6t s MET 31 Ca -0.08 1.65 -0.21 0.00 -1.71 0.00 0.00 55.69 55.35 1p6t s MET 31 Cb 0.16 -2.27 -0.15 0.00 2.01 0.00 0.00 34.83 34.59 1p6t s MET 31 CO 0.75 -0.58 1.35 -1.00 -0.01 0.00 0.00 175.02 175.53 1p6t h PRO 32 N 1.79 0.33 -0.04 2.03 0.13 -1.88 -3.23 132.00 131.14 1p6t h PRO 32 Ca -0.49 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1p6t h PRO 32 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1p6t h PRO 32 CO 0.59 0.72 0.00 0.41 -0.23 0.00 0.00 178.00 179.49 1p6t n GLY 33 N 0.18 -0.79 3.70 1.56 0.00 -1.26 -4.83 105.19 103.74 1p6t n GLY 33 Ca -0.06 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1p6t n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p6t s VAL 34 N -1.95 3.21 -0.18 1.61 0.11 -1.22 -0.49 120.40 121.49 1p6t s VAL 34 Ca 0.08 0.76 -0.14 0.00 -2.93 0.00 0.00 61.98 59.75 1p6t s VAL 34 Cb 0.04 -3.49 -0.07 0.00 -1.53 0.00 0.00 36.38 31.33 1p6t s VAL 34 CO 0.06 0.03 -0.20 0.41 -3.33 0.00 0.00 175.10 172.07 1p6t n THR 35 N 4.34 1.47 -3.66 5.04 -1.04 0.49 -4.93 114.28 115.98 1p6t n THR 35 Ca 0.13 0.09 -0.09 0.00 -2.04 0.00 0.00 64.05 62.15 1p6t n THR 35 Cb 0.41 -2.27 -0.09 0.00 -1.82 0.00 0.00 70.33 66.56 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 -6.14 -0.75 -0.24 8.00 -1.08 -0.41 -5.00 116.67 111.04 1p6t s ASP 36 Ca -0.24 1.25 -0.02 0.00 -0.52 0.00 0.00 52.55 53.01 1p6t s ASP 36 Cb 0.05 1.13 0.02 0.00 -1.46 0.00 0.00 42.92 42.65 1p6t s ASP 36 CO 0.37 -0.22 -0.05 0.00 0.52 0.00 0.00 175.17 175.79 1p6t s ALA 37 N 1.46 2.74 0.19 3.66 0.00 -1.26 -0.20 121.76 128.35 1p6t s ALA 37 Ca -0.09 -1.38 0.03 0.00 0.00 0.00 0.00 51.96 50.52 1p6t s ALA 37 Cb -0.06 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 1p6t s ALA 37 CO -0.16 -0.71 -0.01 -0.80 0.00 0.00 0.00 175.76 174.08 1p6t s ASN 38 N 1.38 1.54 -0.25 0.00 0.02 0.12 -4.96 114.94 112.78 1p6t s ASN 38 Ca 0.02 -1.17 -0.06 0.00 -1.02 0.00 0.00 52.86 50.63 1p6t s ASN 38 Cb -0.16 0.06 0.13 0.00 0.02 0.00 0.00 41.25 41.30 1p6t s ASN 38 CO -0.04 -0.52 0.50 0.54 0.02 0.00 0.00 177.10 177.61 1p6t s VAL 39 N -3.52 -0.80 -1.39 1.60 0.11 -1.26 -0.56 120.40 114.57 1p6t s VAL 39 Ca 0.25 0.04 -0.16 0.00 -2.93 0.00 0.00 61.98 59.18 1p6t s VAL 39 Cb 0.05 -0.85 0.05 0.00 -1.53 0.00 0.00 36.38 34.11 1p6t s VAL 39 CO 0.06 -0.00 2.03 0.59 -3.33 0.00 0.00 175.10 174.44 1p6t n ASN 40 N 5.41 4.32 0.13 3.54 4.13 0.10 -4.69 115.26 128.21 1p6t n ASN 40 Ca -0.07 -2.87 0.19 0.00 1.68 0.00 0.00 54.58 53.51 1p6t n ASN 40 Cb 0.50 -1.70 0.77 0.00 -1.54 0.00 0.00 39.78 37.82 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 11.04 0.00 -1.85 3.41 8.10 -1.92 0.13 115.31 134.21 1p6t h LEU 41 Ca 0.52 0.00 0.08 0.00 0.11 0.00 0.00 57.88 58.58 1p6t h LEU 41 Cb 0.73 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.94 1p6t h LEU 41 CO 1.71 0.00 0.26 0.00 -4.11 0.00 0.00 178.44 176.30 1p6t h ALA 42 N 1.60 2.13 0.00 0.17 0.00 -1.94 -0.60 119.26 120.61 1p6t h ALA 42 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1p6t h ALA 42 Cb 0.86 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1p6t h ALA 42 CO -0.00 -0.21 -0.12 0.25 0.00 0.00 0.00 179.25 179.16 1p6t n THR 43 N -4.46 1.91 -4.25 0.00 -2.24 0.24 -5.00 114.28 100.47 1p6t n THR 43 Ca 0.05 -2.42 -0.31 0.00 -2.27 0.00 0.00 64.05 59.10 1p6t n THR 43 Cb 0.33 -0.22 -0.08 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.33 -1.59 -3.97 -0.78 1.02 -0.02 -4.94 120.64 109.03 1p6t n GLU 44 Ca 0.16 0.19 -0.31 0.00 -0.02 0.00 0.00 57.16 57.18 1p6t n GLU 44 Cb 0.66 -4.01 -0.15 0.00 -0.02 0.00 0.00 31.44 27.91 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 -4.11 1.74 -0.07 2.62 2.01 -0.04 -3.83 115.64 113.96 1p6t s THR 45 Ca 0.13 -1.43 -0.26 0.00 0.31 0.00 0.00 61.69 60.44 1p6t s THR 45 Cb -0.08 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 1p6t s THR 45 CO 0.97 -0.14 0.84 0.54 -0.69 0.00 0.00 174.62 176.14 1p6t s VAL 46 N 1.28 4.94 -0.26 3.82 0.11 0.12 0.01 120.40 130.42 1p6t s VAL 46 Ca -0.05 1.71 0.02 0.00 -2.93 0.00 0.00 61.98 60.73 1p6t s VAL 46 Cb -0.19 -4.17 0.07 0.00 -1.53 0.00 0.00 36.38 30.56 1p6t s VAL 46 CO -0.07 0.16 -0.04 0.20 -3.33 0.00 0.00 175.10 172.02 1p6t s ASN 47 N 0.96 4.14 -0.12 3.54 0.01 0.27 -0.73 114.94 123.00 1p6t s ASN 47 Ca 0.43 -1.40 0.01 0.00 -0.71 0.00 0.00 52.86 51.18 1p6t s ASN 47 Cb -0.18 -1.31 -0.01 0.00 0.41 0.00 0.00 41.25 40.15 1p6t s ASN 47 CO 0.20 -0.26 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.69 1p6t s VAL 48 N 1.27 2.90 -0.19 1.60 1.01 0.09 -0.70 120.40 126.38 1p6t s VAL 48 Ca -0.03 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1p6t s VAL 48 Cb -0.19 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 1p6t s VAL 48 CO -0.07 0.53 -0.11 -0.63 0.00 0.00 0.00 175.10 174.82 1p6t s ILE 49 N 0.34 2.91 0.22 2.22 1.01 0.72 -0.59 121.20 128.03 1p6t s ILE 49 Ca -0.12 -0.66 -0.19 0.00 0.00 0.00 0.00 60.65 59.67 1p6t s ILE 49 Cb -0.16 -2.28 0.03 0.00 0.01 0.00 0.00 42.46 40.06 1p6t s ILE 49 CO 0.06 0.48 0.60 -0.72 0.00 0.00 0.00 174.94 175.36 1p6t s TYR 50 N 1.16 -0.20 -0.05 3.97 1.13 -0.84 -0.38 117.35 122.14 1p6t s TYR 50 Ca 0.01 -0.16 -0.23 0.00 -1.41 0.00 0.00 57.07 55.29 1p6t s TYR 50 Cb -0.14 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.19 1p6t s TYR 50 CO -0.04 -1.01 0.68 0.34 -2.51 0.00 0.00 175.55 173.01 1p6t s ASP 51 N -2.87 6.98 0.00 -0.18 2.15 0.36 0.06 116.67 123.17 1p6t s ASP 51 Ca 0.09 1.18 -0.04 0.00 0.43 0.00 0.00 52.55 54.22 1p6t s ASP 51 Cb -0.03 -2.40 -0.16 0.00 -0.30 0.00 0.00 42.92 40.03 1p6t s ASP 51 CO -0.01 -0.07 2.59 -0.81 -0.17 0.00 0.00 175.17 176.70 1p6t n PRO 52 N 3.55 1.36 0.00 4.34 -0.04 -1.26 -3.37 135.00 139.57 1p6t n PRO 52 Ca -0.02 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 1p6t n PRO 52 Cb 0.51 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 1p6t n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p6t n ALA 53 N 2.41 0.50 0.00 0.55 0.00 -1.26 -4.93 120.51 117.78 1p6t n ALA 53 Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1p6t n ALA 53 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 0.94 0.00 0.00 1.02 -1.22 -5.05 120.64 116.34 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 0.38 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 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 -1.67 0.00 0.00 2.62 -1.04 -1.26 -4.81 114.28 108.13 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 0.26 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 1p6t n THR 55 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1p6t n GLY 56 N 3.92 2.36 0.24 3.41 0.00 -1.26 -4.39 105.19 109.48 1p6t n GLY 56 Ca 0.00 -1.37 0.08 0.00 0.00 0.00 0.00 46.02 44.73 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 2.15 -0.29 -0.29 2.61 5.66 -1.26 0.27 114.28 123.12 1p6t n THR 57 Ca 0.00 1.55 -0.05 0.00 -3.05 0.00 0.00 64.05 62.50 1p6t n THR 57 Cb 0.00 -2.21 0.07 0.00 -1.55 0.00 0.00 70.33 66.64 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 1.38 1.03 -0.34 1.79 0.00 -1.89 0.11 119.26 121.35 1p6t h ALA 58 Ca 0.38 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1p6t h ALA 58 Cb 0.70 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1p6t h ALA 58 CO -0.68 0.55 -0.43 0.00 0.00 0.00 0.00 179.25 178.69 1p6t h ALA 59 N 1.22 0.59 0.08 0.00 0.00 -0.39 0.20 119.26 120.96 1p6t h ALA 59 Ca 0.28 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1p6t h ALA 59 Cb 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1p6t h ALA 59 CO -0.04 0.68 -0.15 0.82 0.00 0.00 0.00 179.25 180.55 1p6t h ILE 60 N 0.70 0.64 -0.64 0.00 1.08 -0.69 0.13 117.51 118.74 1p6t h ILE 60 Ca 0.05 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.45 1p6t h ILE 60 Cb 1.02 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 1p6t h ILE 60 CO 0.10 0.00 0.12 0.06 -0.69 0.00 0.00 178.15 177.74 1p6t h GLN 61 N -0.29 1.02 -0.85 2.37 -0.00 -0.93 -2.21 115.11 114.22 1p6t h GLN 61 Ca 0.03 -0.25 0.07 0.00 -0.00 0.00 0.00 58.65 58.50 1p6t h GLN 61 Cb 0.32 -0.13 -0.07 0.00 -0.00 0.00 0.00 27.48 27.60 1p6t h GLN 61 CO -0.09 0.93 0.51 1.49 -0.00 0.00 0.00 178.83 181.67 1p6t h GLU 62 N 0.97 0.88 0.03 0.06 4.81 -0.08 0.17 114.58 121.42 1p6t h GLU 62 Ca 0.20 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1p6t h GLU 62 Cb 0.39 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1p6t h GLU 62 CO 0.01 0.58 -0.02 0.87 -0.73 0.00 0.00 179.01 179.72 1p6t h LYS 63 N 0.90 -0.04 -0.50 1.92 1.79 -0.18 0.16 116.57 120.62 1p6t h LYS 63 Ca 0.38 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.94 1p6t h LYS 63 Cb 0.25 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.84 1p6t h LYS 63 CO -0.20 -0.03 0.12 0.82 -1.08 0.00 0.00 179.45 179.09 1p6t h ILE 64 N -0.04 0.75 -0.30 1.86 2.04 -0.75 0.17 117.51 121.25 1p6t h ILE 64 Ca -0.00 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1p6t h ILE 64 Cb 0.03 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1p6t h ILE 64 CO 0.01 0.05 0.06 -0.33 0.00 0.00 0.00 178.15 177.94 1p6t h GLU 65 N 0.27 0.48 0.00 2.37 5.08 -0.58 -2.53 114.58 119.67 1p6t h GLU 65 Ca 0.25 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1p6t h GLU 65 Cb 0.31 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1p6t h GLU 65 CO -0.30 0.57 -0.14 0.87 -1.00 0.00 0.00 179.01 179.00 1p6t h LYS 66 N 0.31 0.00 0.00 2.33 1.57 -0.28 0.14 116.57 120.64 1p6t h LYS 66 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1p6t h LYS 66 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1p6t h LYS 66 CO 0.00 0.14 0.00 1.28 -0.57 0.00 0.00 179.45 180.31 1p6t n LEU 67 N -3.75 0.00 -0.37 2.94 7.99 0.57 -4.90 117.00 119.48 1p6t n LEU 67 Ca -0.02 0.19 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 1p6t n LEU 67 Cb 0.25 -0.19 0.00 0.00 -0.11 0.00 0.00 43.42 43.38 1p6t n LEU 67 CO 0.31 -0.06 0.00 0.61 -1.51 0.00 0.00 177.39 176.74 1p6t n GLY 68 N 0.39 0.92 3.56 -0.72 0.00 0.50 -5.07 105.19 104.77 1p6t n GLY 68 Ca 0.12 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.75 1.88 -0.01 1.61 2.02 -0.99 -5.00 117.35 114.12 1p6t s TYR 69 Ca 0.00 -1.11 0.02 0.00 -0.37 0.00 0.00 57.07 55.61 1p6t s TYR 69 Cb 0.00 -1.32 0.00 0.00 -0.40 0.00 0.00 41.96 40.25 1p6t s TYR 69 CO 0.00 -0.08 -0.05 -1.01 -1.57 0.00 0.00 175.55 172.84 1p6t s HIS 70 N -3.13 0.54 0.26 2.71 3.76 -1.26 -4.12 115.29 114.05 1p6t s HIS 70 Ca 0.23 -0.11 -0.20 0.00 -0.15 0.00 0.00 55.06 54.84 1p6t s HIS 70 Cb 0.04 -0.39 -0.09 0.00 1.11 0.00 0.00 32.58 33.25 1p6t s HIS 70 CO 0.13 -0.04 0.76 0.14 -0.85 0.00 0.00 174.74 174.87 1p6t s VAL 71 N 0.09 4.54 -0.49 -0.90 -7.23 -1.26 -0.38 120.40 114.76 1p6t s VAL 71 Ca -0.01 1.30 -0.06 0.00 -1.81 0.00 0.00 61.98 61.40 1p6t s VAL 71 Cb -0.05 -3.82 -0.12 0.00 0.56 0.00 0.00 36.38 32.95 1p6t s VAL 71 CO -0.00 0.11 3.20 0.52 -0.31 0.00 0.00 175.10 178.62 1p6t n VAL 72 N 0.46 3.49 -4.33 1.32 0.31 -0.19 -4.87 118.33 114.53 1p6t n VAL 72 Ca -0.00 -2.30 -0.18 0.00 -0.01 0.00 0.00 64.34 61.84 1p6t n VAL 72 Cb 0.51 -2.00 -0.14 0.00 -0.91 0.00 0.00 33.84 31.30 1p6t n VAL 72 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1p6t s THR 73 N 0.18 0.78 0.01 2.52 2.01 -1.26 -4.29 115.64 115.59 1p6t s THR 73 Ca 0.64 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 62.06 1p6t s THR 73 Cb 0.30 -0.69 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 1p6t s THR 73 CO -0.07 0.09 -0.08 -1.83 -0.69 0.00 0.00 174.62 172.03 1p6t s GLU 74 N -0.59 0.59 -1.17 4.92 -1.05 -1.11 -4.94 118.70 115.36 1p6t s GLU 74 Ca 0.01 -0.43 -0.16 0.00 -0.15 0.00 0.00 54.97 54.25 1p6t s GLU 74 Cb -0.05 -0.53 0.14 0.00 -0.44 0.00 0.00 34.13 33.25 1p6t s GLU 74 CO 0.00 0.14 1.44 -1.59 0.95 0.00 0.00 175.26 176.19 1p6t s LYS 75 N -0.61 3.97 0.46 -4.83 -2.85 -1.26 -2.54 119.74 112.09 1p6t s LYS 75 Ca -0.00 -2.28 -0.08 0.00 -1.00 0.00 0.00 55.97 52.60 1p6t s LYS 75 Cb -0.05 -5.14 -0.05 0.00 -2.06 0.00 0.00 37.83 30.53 1p6t s LYS 75 CO 0.00 -1.87 0.81 0.00 0.10 0.00 0.00 175.35 174.39 1p6t s ALA 76 N 2.38 3.34 -0.22 0.59 0.00 0.35 -4.86 121.76 123.34 1p6t s ALA 76 Ca 0.43 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 52.08 1p6t s ALA 76 Cb -0.02 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 20.42 1p6t s ALA 76 CO -0.01 -0.23 -0.12 -1.21 0.00 0.00 0.00 175.76 174.19 1p6t s GLU 77 N -4.37 2.90 -0.12 0.00 2.02 -1.26 -0.30 118.70 117.58 1p6t s GLU 77 Ca 0.50 -0.91 -0.00 0.00 0.02 0.00 0.00 54.97 54.58 1p6t s GLU 77 Cb -0.10 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 1p6t s GLU 77 CO 0.39 -0.31 -0.11 -0.06 0.02 0.00 0.00 175.26 175.19 1p6t s PHE 78 N 1.31 2.84 0.32 1.61 0.40 0.13 -1.38 117.98 123.21 1p6t s PHE 78 Ca 0.02 -0.46 -0.17 0.00 -0.60 0.00 0.00 56.93 55.72 1p6t s PHE 78 Cb -0.15 -1.82 -0.09 0.00 0.51 0.00 0.00 43.02 41.47 1p6t s PHE 78 CO -0.08 -0.08 0.77 0.34 0.70 0.00 0.00 175.22 176.87 1p6t s ASP 79 N 0.09 6.87 -0.12 1.36 -1.08 0.10 -0.12 116.67 123.77 1p6t s ASP 79 Ca -0.05 1.38 0.02 0.00 -0.52 0.00 0.00 52.55 53.38 1p6t s ASP 79 Cb -0.14 -2.41 0.01 0.00 -1.46 0.00 0.00 42.92 38.92 1p6t s ASP 79 CO 0.04 -0.18 -0.17 -0.63 0.52 0.00 0.00 175.17 174.76 1p6t s ILE 80 N -1.91 1.66 -0.49 4.11 1.01 -0.15 -0.23 121.20 125.20 1p6t s ILE 80 Ca 0.53 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.46 1p6t s ILE 80 Cb -0.12 -1.50 0.13 0.00 0.01 0.00 0.00 42.46 40.98 1p6t s ILE 80 CO 0.18 0.47 0.24 -1.83 0.00 0.00 0.00 174.94 174.00 1p6t s GLU 81 N 0.99 1.98 0.00 2.79 -1.05 -0.88 -4.75 118.70 117.78 1p6t s GLU 81 Ca -0.05 -2.35 0.00 0.00 -0.15 0.00 0.00 54.97 52.41 1p6t s GLU 81 Cb -0.15 -3.40 0.00 0.00 -0.44 0.00 0.00 34.13 30.14 1p6t s GLU 81 CO -0.03 -1.08 0.00 0.41 0.95 0.00 0.00 175.26 175.51 1p6t n GLY 82 N 3.60 -1.76 3.62 -3.83 0.00 -1.26 -3.74 105.19 101.81 1p6t n GLY 82 Ca 0.05 0.60 -0.52 0.00 0.00 0.00 0.00 46.02 46.15 1p6t n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1p6t n MET 83 N 0.00 1.27 -2.11 1.61 0.00 -1.26 -4.89 117.12 111.74 1p6t n MET 83 Ca 0.00 0.46 -0.02 0.00 0.00 0.00 0.00 57.70 58.14 1p6t n MET 83 Cb 0.00 -2.13 0.05 0.00 0.00 0.00 0.00 33.22 31.14 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 3.08 0.21 -2.65 3.17 5.66 -1.26 -4.93 114.28 117.56 1p6t n THR 84 Ca 0.20 -1.04 -0.02 0.00 -3.05 0.00 0.00 64.05 60.14 1p6t n THR 84 Cb 0.19 0.91 0.12 0.00 -1.55 0.00 0.00 70.33 70.00 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 -1.45 -1.86 0.00 0.00 0.00 -1.26 -4.56 120.51 111.39 1p6t n ALA 86 Ca -0.17 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1p6t n ALA 86 Cb 0.85 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -3.87 0.07 -0.07 0.00 0.00 -1.26 -4.84 120.51 110.54 1p6t n ALA 87 Ca -0.23 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.13 1p6t n ALA 87 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 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 1.16 1.26 -0.13 0.00 0.00 -1.95 0.36 119.26 119.97 1p6t h ALA 89 Ca 0.12 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1p6t h ALA 89 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1p6t h ALA 89 CO -0.11 0.12 -0.37 -0.91 0.00 0.00 0.00 179.25 177.98 1p6t h ASN 90 N 0.83 0.27 0.19 0.00 4.21 -1.35 0.16 115.58 119.90 1p6t h ASN 90 Ca 0.43 -0.11 -0.01 0.00 1.21 0.00 0.00 56.30 57.82 1p6t h ASN 90 Cb 0.41 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 1p6t h ASN 90 CO -0.26 0.63 -0.09 0.03 -1.29 0.00 0.00 177.43 176.45 1p6t h ARG 91 N 0.23 -0.24 -0.75 0.81 2.47 0.03 -3.12 114.38 113.80 1p6t h ARG 91 Ca 0.02 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1p6t h ARG 91 Cb 0.77 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 29.11 1p6t h ARG 91 CO 0.06 0.16 0.46 -0.84 0.56 0.00 0.00 179.97 180.37 1p6t h ILE 92 N -0.77 1.21 -0.28 2.04 -0.00 -0.79 -2.60 117.51 116.32 1p6t h ILE 92 Ca -0.03 -0.44 0.04 0.00 -0.00 0.00 0.00 64.86 64.44 1p6t h ILE 92 Cb 0.51 0.14 -0.07 0.00 -0.00 0.00 0.00 36.82 37.39 1p6t h ILE 92 CO 0.04 0.21 -0.54 -0.08 -0.00 0.00 0.00 178.15 177.79 1p6t h GLU 93 N 1.03 -0.46 0.00 0.16 4.81 -0.77 0.23 114.58 119.58 1p6t h GLU 93 Ca 0.27 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1p6t h GLU 93 Cb -0.06 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1p6t h GLU 93 CO -0.05 -0.31 -0.02 0.87 -0.73 0.00 0.00 179.01 178.77 1p6t h LYS 94 N -0.48 0.00 0.00 1.92 6.56 -1.40 0.16 116.57 123.33 1p6t h LYS 94 Ca 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 1p6t h LYS 94 Cb 0.64 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 1p6t h LYS 94 CO -0.52 0.02 0.00 0.54 -2.06 0.00 0.00 179.45 177.43 1p6t n ARG 95 N -3.33 0.00 -0.29 3.15 3.00 0.07 -4.33 116.66 114.93 1p6t n ARG 95 Ca -0.02 0.44 0.10 0.00 -0.01 0.00 0.00 57.85 58.36 1p6t n ARG 95 Cb 0.13 -1.12 0.24 0.00 0.00 0.00 0.00 32.46 31.71 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 -0.23 -0.50 0.55 3.38 -0.22 -0.73 115.31 117.56 1p6t h LEU 96 Ca 0.00 0.21 0.10 0.00 0.09 0.00 0.00 57.88 58.29 1p6t h LEU 96 Cb 0.00 0.34 -0.10 0.00 0.09 0.00 0.00 40.66 41.00 1p6t h LEU 96 CO 0.00 -0.21 -0.12 0.59 0.09 0.00 0.00 178.44 178.79 1p6t n ASN 97 N -5.33 -0.18 -2.91 -0.43 5.03 0.54 -3.12 115.26 108.87 1p6t n ASN 97 Ca 0.19 0.87 -0.12 0.00 0.87 0.00 0.00 54.58 56.39 1p6t n ASN 97 Cb 0.62 -0.26 -0.00 0.00 -1.02 0.00 0.00 39.78 39.11 1p6t n ASN 97 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1p6t n LYS 98 N -4.81 0.59 0.05 3.52 -0.00 -0.32 -4.48 118.16 112.70 1p6t n LYS 98 Ca 0.08 -2.26 -0.02 0.00 -0.00 0.00 0.00 58.31 56.11 1p6t n LYS 98 Cb 0.26 -1.46 -0.01 0.00 -0.00 0.00 0.00 35.03 33.81 1p6t n LYS 98 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1p6t h ILE 99 N 3.86 0.00 0.00 0.58 1.08 -1.39 -3.48 117.51 118.16 1p6t h ILE 99 Ca 0.02 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1p6t h ILE 99 Cb 1.02 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 1p6t h ILE 99 CO 0.23 0.00 0.00 -0.62 -0.69 0.00 0.00 178.15 177.07 1p6t n GLU 100 N -2.41 0.00 -1.20 2.37 1.02 -1.26 -4.98 120.64 114.18 1p6t n GLU 100 Ca -0.02 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.86 1p6t n GLU 100 Cb 0.05 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.37 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 3.72 3.45 0.62 0.00 -1.24 -4.49 105.19 107.25 1p6t n GLY 101 Ca 0.00 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 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 1.38 4.09 -0.02 1.61 1.01 -1.26 -0.56 120.40 126.64 1p6t s VAL 102 Ca 0.68 -0.26 -0.22 0.00 0.00 0.00 0.00 61.98 62.17 1p6t s VAL 102 Cb 0.25 -2.87 -0.15 0.00 0.00 0.00 0.00 36.38 33.61 1p6t s VAL 102 CO -0.04 0.40 1.01 0.00 0.00 0.00 0.00 175.10 176.47 1p6t h ALA 103 N 7.72 -0.34 -2.89 5.51 0.00 -0.80 -3.45 119.26 125.02 1p6t h ALA 103 Ca -0.37 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 1p6t h ALA 103 Cb 1.18 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1p6t h ALA 103 CO 0.61 -0.43 -0.01 -0.80 0.00 0.00 0.00 179.25 178.61 1p6t s ASN 104 N -5.25 -0.05 -0.47 0.00 0.01 -0.64 -4.43 114.94 104.10 1p6t s ASN 104 Ca -0.13 -0.91 0.05 0.00 -0.71 0.00 0.00 52.86 51.16 1p6t s ASN 104 Cb 0.01 0.64 0.24 0.00 0.41 0.00 0.00 41.25 42.55 1p6t s ASN 104 CO 0.48 -1.24 0.91 0.00 -1.51 0.00 0.00 177.10 175.74 1p6t n ALA 105 N -0.42 -1.73 -2.31 0.60 0.00 -1.26 -0.58 120.51 114.81 1p6t n ALA 105 Ca -0.02 -1.23 -0.42 0.00 0.00 0.00 0.00 53.44 51.77 1p6t n ALA 105 Cb 0.61 -1.58 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 0.66 4.35 0.35 0.00 0.04 -1.10 -4.58 135.00 134.72 1p6t s PRO 106 Ca 0.31 1.88 -0.09 0.00 0.04 0.00 0.00 61.00 63.15 1p6t s PRO 106 Cb 0.20 -3.43 -0.06 0.00 0.04 0.00 0.00 34.50 31.25 1p6t s PRO 106 CO -0.21 -0.43 0.68 0.14 0.04 0.00 0.00 177.00 177.22 1p6t s VAL 107 N 1.68 4.88 -0.06 -0.36 -7.23 -1.26 -1.52 120.40 116.52 1p6t s VAL 107 Ca 0.61 0.42 0.01 0.00 -1.81 0.00 0.00 61.98 61.20 1p6t s VAL 107 Cb -0.31 -3.72 0.02 0.00 0.56 0.00 0.00 36.38 32.93 1p6t s VAL 107 CO 0.27 -0.41 -0.05 0.20 -0.31 0.00 0.00 175.10 174.80 1p6t s ASN 108 N -3.09 1.38 0.00 4.85 -0.87 0.86 -4.96 114.94 113.11 1p6t s ASN 108 Ca 0.48 -0.17 0.27 0.00 -1.57 0.00 0.00 52.86 51.87 1p6t s ASN 108 Cb -0.10 -0.56 0.79 0.00 -0.02 0.00 0.00 41.25 41.36 1p6t s ASN 108 CO 0.30 -0.08 1.60 0.33 -2.57 0.00 0.00 177.10 176.68 1p6t n PHE 109 N 4.37 0.00 -0.07 2.20 7.35 -1.26 -2.18 117.46 127.86 1p6t n PHE 109 Ca -0.19 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.27 1p6t n PHE 109 Cb 0.51 -0.01 -0.12 0.00 0.35 0.00 0.00 39.48 40.20 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 0.33 0.95 0.09 3.13 0.00 -1.26 -4.42 120.51 119.33 1p6t n ALA 110 Ca 0.17 -0.68 0.03 0.00 0.00 0.00 0.00 53.44 52.96 1p6t n ALA 110 Cb 0.41 -0.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.50 0.00 -1.07 0.00 3.38 -2.01 -3.48 115.31 111.62 1p6t h LEU 111 Ca -0.45 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.29 1p6t h LEU 111 Cb 1.68 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.51 1p6t h LEU 111 CO -0.12 0.47 -0.40 -0.62 0.09 0.00 0.00 178.44 177.86 1p6t n GLU 112 N -3.01 -4.46 -4.17 1.13 1.02 -0.93 -4.96 120.64 105.26 1p6t n GLU 112 Ca -0.03 0.48 -0.11 0.00 -0.02 0.00 0.00 57.16 57.48 1p6t n GLU 112 Cb 0.76 -4.45 -0.10 0.00 -0.02 0.00 0.00 31.44 27.63 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 -3.19 0.48 -0.07 2.62 -4.23 -0.97 -0.98 115.64 109.30 1p6t s THR 113 Ca 0.28 -1.92 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 1p6t s THR 113 Cb -0.12 -1.86 0.01 0.00 1.34 0.00 0.00 72.50 71.86 1p6t s THR 113 CO 0.42 -0.69 -0.16 0.54 -0.54 0.00 0.00 174.62 174.19 1p6t s VAL 114 N -3.78 1.43 -0.08 2.29 0.11 0.83 -0.10 120.40 121.11 1p6t s VAL 114 Ca 0.17 -0.66 -0.25 0.00 -2.93 0.00 0.00 61.98 58.30 1p6t s VAL 114 Cb 0.06 -1.27 -0.03 0.00 -1.53 0.00 0.00 36.38 33.62 1p6t s VAL 114 CO -0.02 0.42 0.80 -0.89 -3.33 0.00 0.00 175.10 172.08 1p6t s THR 115 N 0.45 4.96 -0.24 5.04 2.01 -0.58 -0.69 115.64 126.60 1p6t s THR 115 Ca -0.14 1.64 -0.05 0.00 0.31 0.00 0.00 61.69 63.45 1p6t s THR 115 Cb -0.15 -4.13 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 1p6t s THR 115 CO 0.05 0.17 0.01 0.54 -0.69 0.00 0.00 174.62 174.70 1p6t s VAL 116 N 1.18 3.74 -0.70 3.82 0.11 0.59 -2.73 120.40 126.42 1p6t s VAL 116 Ca 0.41 -0.42 -0.12 0.00 -2.93 0.00 0.00 61.98 58.93 1p6t s VAL 116 Cb -0.18 -2.75 0.18 0.00 -1.53 0.00 0.00 36.38 32.10 1p6t s VAL 116 CO 0.19 0.35 0.62 -1.61 -3.33 0.00 0.00 175.10 171.32 1p6t s GLU 117 N 1.52 3.20 0.10 1.54 2.02 0.25 -0.50 118.70 126.83 1p6t s GLU 117 Ca 0.06 -2.25 -0.05 0.00 0.02 0.00 0.00 54.97 52.74 1p6t s GLU 117 Cb -0.15 -4.24 -0.02 0.00 0.10 0.00 0.00 34.13 29.82 1p6t s GLU 117 CO -0.00 -1.27 0.13 1.52 0.02 0.00 0.00 175.26 175.65 1p6t s TYR 118 N 0.54 0.43 -0.46 1.61 1.13 -1.05 -0.10 117.35 119.45 1p6t s TYR 118 Ca 0.13 -0.87 -0.26 0.00 -1.41 0.00 0.00 57.07 54.66 1p6t s TYR 118 Cb -0.17 -0.22 0.03 0.00 -1.10 0.00 0.00 41.96 40.49 1p6t s TYR 118 CO -0.05 -0.53 0.97 1.21 -2.51 0.00 0.00 175.55 174.64 1p6t s ASN 119 N -2.93 6.53 0.00 -0.18 2.47 0.27 -2.75 114.94 118.34 1p6t s ASN 119 Ca 0.12 0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.58 1p6t s ASN 119 Cb 0.06 -2.47 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 1p6t s ASN 119 CO -0.06 -1.09 0.80 -0.81 -3.72 0.00 0.00 177.10 172.22 1p6t n PRO 120 N 7.30 0.94 -0.10 0.43 -0.04 -1.26 -2.79 135.00 139.49 1p6t n PRO 120 Ca 0.07 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 1p6t n PRO 120 Cb 0.49 -1.14 -0.05 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.34 0.53 0.02 0.54 4.76 -1.26 -4.66 118.16 117.75 1p6t n LYS 121 Ca 0.00 0.32 -0.10 0.00 -2.87 0.00 0.00 58.31 55.65 1p6t n LYS 121 Cb 0.07 -1.52 -0.05 0.00 -1.84 0.00 0.00 35.03 31.69 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 -1.00 -0.11 -5.16 1.97 3.07 -1.92 -3.44 114.58 107.99 1p6t h GLU 122 Ca -0.16 0.01 -0.68 0.00 -0.50 0.00 0.00 59.36 58.03 1p6t h GLU 122 Cb 1.03 0.03 -0.13 0.00 -0.84 0.00 0.00 28.75 28.84 1p6t h GLU 122 CO -0.10 -0.07 -0.51 0.00 -1.40 0.00 0.00 179.01 176.93 1p6t s ALA 123 N -6.17 4.11 0.21 3.43 0.00 -1.12 -5.01 121.76 117.21 1p6t s ALA 123 Ca -0.14 -0.29 -0.19 0.00 0.00 0.00 0.00 51.96 51.34 1p6t s ALA 123 Cb 0.08 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1p6t s ALA 123 CO 0.67 -0.03 0.58 -1.12 0.00 0.00 0.00 175.76 175.85 1p6t s SER 124 N -3.87 -0.30 0.31 0.00 0.01 -1.26 -4.24 113.70 104.34 1p6t s SER 124 Ca 0.05 -0.47 0.05 0.00 1.31 0.00 0.00 55.95 56.89 1p6t s SER 124 Cb 0.01 0.62 0.83 0.00 0.21 0.00 0.00 66.02 67.69 1p6t s SER 124 CO 0.03 -1.11 1.60 0.58 0.41 0.00 0.00 173.24 174.74 1p6t h VAL 125 N 2.13 0.13 -0.66 3.43 2.07 -1.99 0.22 116.25 121.58 1p6t h VAL 125 Ca -0.27 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.35 1p6t h VAL 125 Cb 1.27 0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.98 1p6t h VAL 125 CO 0.34 0.02 0.16 0.28 0.02 0.00 0.00 177.57 178.38 1p6t h SER 126 N 0.09 0.03 -0.07 0.57 0.02 -1.98 0.23 113.55 112.42 1p6t h SER 126 Ca 0.62 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.70 1p6t h SER 126 Cb 1.35 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 64.04 1p6t h SER 126 CO -0.79 0.00 0.03 -0.78 -1.14 0.00 0.00 176.83 174.15 1p6t h ASP 127 N 0.28 0.03 -0.87 3.07 3.58 -0.97 -0.11 116.42 121.43 1p6t h ASP 127 Ca 0.36 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.82 1p6t h ASP 127 Cb 0.55 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 1p6t h ASP 127 CO -0.44 0.03 0.58 -0.07 -2.88 0.00 0.00 179.24 176.46 1p6t h LEU 128 N 0.06 1.00 -0.74 2.28 3.38 -1.10 0.30 115.31 120.50 1p6t h LEU 128 Ca 0.03 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1p6t h LEU 128 Cb 0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1p6t h LEU 128 CO -0.03 0.73 0.34 0.11 0.09 0.00 0.00 178.44 179.68 1p6t h LYS 129 N 1.18 1.08 -0.70 1.13 1.57 -0.23 0.13 116.57 120.74 1p6t h LYS 129 Ca 0.32 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1p6t h LYS 129 Cb -0.14 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 31.96 1p6t h LYS 129 CO -0.07 0.85 0.20 0.93 -0.57 0.00 0.00 179.45 180.80 1p6t h GLU 130 N 1.05 1.10 0.00 3.15 4.39 0.11 -0.24 114.58 124.14 1p6t h GLU 130 Ca 0.25 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1p6t h GLU 130 Cb 0.14 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1p6t h GLU 130 CO -0.03 0.96 -0.00 0.00 -1.16 0.00 0.00 179.01 178.78 1p6t h ALA 131 N 1.09 -0.00 -0.02 3.43 0.00 0.01 -2.61 119.26 121.16 1p6t h ALA 131 Ca 0.22 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1p6t h ALA 131 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1p6t h ALA 131 CO -0.00 -0.41 -0.52 -0.24 0.00 0.00 0.00 179.25 178.07 1p6t h VAL 132 N -0.18 1.37 -0.42 0.00 3.04 -0.70 -2.46 116.25 116.90 1p6t h VAL 132 Ca -0.00 -1.80 0.09 0.00 -1.01 0.00 0.00 66.70 63.97 1p6t h VAL 132 Cb 0.18 1.95 -0.09 0.00 -2.01 0.00 0.00 31.29 31.33 1p6t h VAL 132 CO 0.00 0.52 -0.15 -0.78 -1.01 0.00 0.00 177.57 176.15 1p6t h ASP 133 N 0.04 -0.53 -0.50 3.17 3.58 -0.90 0.22 116.42 121.51 1p6t h ASP 133 Ca -0.00 0.14 0.10 0.00 0.42 0.00 0.00 57.03 57.69 1p6t h ASP 133 Cb 0.94 0.31 -0.03 0.00 1.72 0.00 0.00 39.33 42.28 1p6t h ASP 133 CO 0.07 -0.19 0.35 0.11 -2.88 0.00 0.00 179.24 176.70 1p6t h LYS 134 N -0.06 0.24 0.00 0.28 6.56 -1.06 0.06 116.57 122.60 1p6t h LYS 134 Ca 0.20 -0.01 -0.17 0.00 -1.06 0.00 0.00 60.65 59.61 1p6t h LYS 134 Cb 0.37 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.95 1p6t h LYS 134 CO -0.46 0.16 -0.81 -0.07 -2.06 0.00 0.00 179.45 176.21 1p6t h LEU 135 N 0.25 0.00 -0.47 2.94 -0.00 -0.89 -3.49 115.31 113.65 1p6t h LEU 135 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1p6t h LEU 135 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 1p6t h LEU 135 CO -0.05 0.78 0.00 0.61 -0.00 0.00 0.00 178.44 179.78 1p6t n GLY 136 N 1.30 0.86 1.22 0.83 0.00 0.60 -5.09 105.19 104.92 1p6t n GLY 136 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.82 -0.17 -4.01 1.61 4.01 -1.13 -5.04 117.16 111.60 1p6t n TYR 137 Ca 0.00 -1.03 -0.08 0.00 -0.16 0.00 0.00 57.90 56.63 1p6t n TYR 137 Cb 0.19 0.07 -0.10 0.00 -0.31 0.00 0.00 39.34 39.18 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 -2.54 0.44 -0.08 -0.72 0.00 -1.25 -4.10 119.74 111.50 1p6t s LYS 138 Ca 0.12 -0.84 0.02 0.00 0.00 0.00 0.00 55.97 55.28 1p6t s LYS 138 Cb 0.01 0.16 -0.02 0.00 0.00 0.00 0.00 37.83 37.97 1p6t s LYS 138 CO 0.09 -0.08 -0.14 -0.51 0.00 0.00 0.00 175.35 174.70 1p6t s LEU 139 N -2.03 2.70 0.27 2.77 1.43 -1.26 -2.08 118.68 120.47 1p6t s LEU 139 Ca -0.07 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 52.85 1p6t s LEU 139 Cb -0.03 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1p6t s LEU 139 CO -0.04 0.27 0.12 -0.54 0.23 0.00 0.00 176.35 176.39 1p6t s LYS 140 N -0.31 2.65 -0.16 1.70 -0.14 0.68 -4.96 119.74 119.20 1p6t s LYS 140 Ca 0.02 -1.23 -0.10 0.00 -1.36 0.00 0.00 55.97 53.30 1p6t s LYS 140 Cb -0.13 -2.39 -0.05 0.00 -1.68 0.00 0.00 37.83 33.59 1p6t s LYS 140 CO 0.03 0.35 0.17 -0.51 -0.76 0.00 0.00 175.35 174.63 1p6t s LEU 141 N -3.79 4.28 -1.37 3.17 1.02 -1.26 0.02 118.68 120.75 1p6t s LEU 141 Ca 0.33 0.37 -0.16 0.00 0.02 0.00 0.00 54.13 54.69 1p6t s LEU 141 Cb -0.07 -2.15 0.06 0.00 0.02 0.00 0.00 46.19 44.05 1p6t s LEU 141 CO 0.23 0.24 1.95 0.29 0.02 0.00 0.00 176.35 179.08 1p6t n LYS 142 N 3.02 3.06 0.00 1.70 5.02 -0.48 -4.26 118.16 126.22 1p6t n LYS 142 Ca -0.16 -3.00 0.00 0.00 -2.02 0.00 0.00 58.31 53.12 1p6t n LYS 142 Cb 0.53 -3.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.15 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 4.76 2.69 2.42 0.72 0.00 -1.26 -4.91 105.19 109.61 1p6t n GLY 143 Ca 0.50 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.00 2.25 0.00 1.61 1.02 -1.26 0.02 120.64 122.28 1p6t n GLU 144 Ca 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 57.16 55.73 1p6t n GLU 144 Cb 0.00 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.06 1p6t n GLU 144 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1p6t n GLN 145 N 3.65 0.00 -0.00 3.49 1.13 -1.26 -4.93 117.38 119.46 1p6t n GLN 145 Ca 0.48 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.56 1p6t n GLN 145 Cb 0.29 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.61 1p6t n GLN 145 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1p6t n ASP 146 N 0.00 0.33 -1.72 1.08 8.00 -0.48 -4.64 116.55 119.12 1p6t n ASP 146 Ca 0.00 -0.61 -0.02 0.00 0.71 0.00 0.00 54.79 54.87 1p6t n ASP 146 Cb 0.00 1.01 0.01 0.00 -0.02 0.00 0.00 41.12 42.12 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 -1.14 -0.26 0.38 -2.24 2.88 0.10 -4.96 113.62 108.39 1p6t n SER 147 Ca 0.01 -2.05 -0.19 0.00 -1.33 0.00 0.00 58.87 55.31 1p6t n SER 147 Cb 0.08 0.13 -0.09 0.00 -0.75 0.00 0.00 64.21 63.58 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 5.37 0.10 -4.08 2.46 2.04 -1.73 -3.44 117.51 118.24 1p6t h ILE 148 Ca -0.40 0.00 -0.45 0.00 1.00 0.00 0.00 64.86 65.01 1p6t h ILE 148 Cb 1.49 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1p6t h ILE 148 CO -0.11 0.00 0.35 -1.61 0.00 0.00 0.00 178.15 176.78 1p6t s GLU 149 N -5.97 4.11 0.00 2.37 2.02 -1.26 -5.00 118.70 114.97 1p6t s GLU 149 Ca -0.18 1.14 0.00 0.00 0.02 0.00 0.00 54.97 55.95 1p6t s GLU 149 Cb 0.04 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.11 1p6t s GLU 149 CO 0.61 -0.14 0.46 0.41 0.02 0.00 0.00 175.26 176.63 1p6t n GLY 150 N -0.69 -0.21 0.24 -1.39 0.00 -1.26 -5.12 105.19 96.75 1p6t n GLY 150 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.12 1p6t n GLY 150 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19