#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1inz s SER -2 N 0.00 1.43 0.78 1.61 0.01 -1.26 -5.12 113.70 111.16 1inz s SER -2 Ca 0.00 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 55.50 1inz s SER -2 Cb 0.00 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1inz s SER -2 CO 0.00 -0.26 0.00 -1.20 0.41 0.00 0.00 173.24 172.19 1inz n SER -1 N 4.12 -2.68 -3.80 2.44 7.64 -1.26 -4.87 113.62 115.21 1inz n SER -1 Ca 0.12 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.88 1inz n SER -1 Cb 0.44 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.51 1inz n SER -1 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1inz s ARG 0 N 0.00 0.18 0.37 1.43 1.70 -1.26 -5.16 118.95 116.21 1inz s ARG 0 Ca 0.00 0.28 0.02 0.00 -0.47 0.00 0.00 55.73 55.56 1inz s ARG 0 Cb 0.00 0.04 -0.02 0.00 -0.57 0.00 0.00 34.95 34.40 1inz s ARG 0 CO 0.00 -0.05 0.56 1.41 -1.08 0.00 0.00 175.30 176.13 1inz s MET 1 N 0.33 3.24 0.27 3.89 1.75 -1.26 -5.12 119.30 122.40 1inz s MET 1 Ca -0.02 -0.58 0.02 0.00 -1.25 0.00 0.00 55.69 53.86 1inz s MET 1 Cb -0.03 -2.68 -0.04 0.00 2.84 0.00 0.00 34.83 34.91 1inz s MET 1 CO -0.01 0.00 0.14 -1.12 -0.65 0.00 0.00 175.02 173.37 1inz s SER 2 N -4.13 1.17 0.09 1.11 0.01 -1.26 -5.17 113.70 105.52 1inz s SER 2 Ca 0.44 -1.47 -0.04 0.00 1.31 0.00 0.00 55.95 56.18 1inz s SER 2 Cb -0.10 0.31 -0.03 0.00 0.21 0.00 0.00 66.02 66.42 1inz s SER 2 CO 0.35 -0.83 0.08 -0.89 0.41 0.00 0.00 173.24 172.36 1inz s THR 3 N -3.75 0.16 0.16 1.44 2.01 -1.26 -5.17 115.64 109.23 1inz s THR 3 Ca 0.37 -1.61 0.02 0.00 0.31 0.00 0.00 61.69 60.79 1inz s THR 3 Cb 0.06 -1.60 0.02 0.00 0.01 0.00 0.00 72.50 70.99 1inz s THR 3 CO 0.15 -0.73 0.17 -0.24 -0.69 0.00 0.00 174.62 173.29 1inz n SER 4 N -0.01 1.12 -0.33 3.53 2.88 -1.26 -5.14 113.62 114.41 1inz n SER 4 Ca -0.12 -1.50 0.00 0.00 -1.33 0.00 0.00 58.87 55.92 1inz n SER 4 Cb 0.62 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1inz n SER 4 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1inz n SER 5 N -2.33 0.00 0.00 -3.46 2.88 -1.26 -5.11 113.62 104.34 1inz n SER 5 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1inz n SER 5 Cb 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1inz n SER 5 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1inz n LEU 6 N 0.00 0.00 -4.30 2.46 7.94 -1.26 -5.16 117.00 116.68 1inz n LEU 6 Ca 0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.74 1inz n LEU 6 Cb 0.00 0.05 -0.10 0.00 0.53 0.00 0.00 43.42 43.90 1inz n LEU 6 CO 0.00 -0.40 -0.24 -0.60 -1.11 0.00 0.00 177.39 175.04 1inz s ARG 7 N -0.80 1.42 0.03 1.96 3.52 -1.26 -5.07 118.95 118.75 1inz s ARG 7 Ca 0.00 -1.78 -0.07 0.00 -0.13 0.00 0.00 55.73 53.75 1inz s ARG 7 Cb 0.00 -0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.23 1inz s ARG 7 CO 0.00 -0.35 1.11 0.00 -0.81 0.00 0.00 175.30 175.25 1inz h ARG 8 N 2.38 -0.10 -4.97 5.12 3.08 -2.08 -3.45 114.38 114.36 1inz h ARG 8 Ca -0.37 0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.16 1inz h ARG 8 Cb 1.25 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 31.19 1inz h ARG 8 CO 0.57 -0.07 -0.49 -0.65 -1.07 0.00 0.00 179.97 178.27 1inz s GLN 9 N -3.54 1.89 0.00 0.04 -0.21 -1.26 -5.18 119.66 111.40 1inz s GLN 9 Ca -0.03 -2.14 0.00 0.00 0.02 0.00 0.00 55.36 53.21 1inz s GLN 9 Cb 0.02 -0.10 0.00 0.00 1.00 0.00 0.00 33.01 33.92 1inz s GLN 9 CO 0.12 -0.60 0.00 -1.33 -2.12 0.00 0.00 175.29 171.36 1inz n MET 10 N -0.80 2.26 -1.01 2.91 2.81 -1.26 -5.10 117.12 116.94 1inz n MET 10 Ca 0.01 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.54 1inz n MET 10 Cb 0.63 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 33.20 1inz n MET 10 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1inz n LYS 11 N 0.00 -0.04 0.00 0.03 5.02 -1.26 -4.90 118.16 117.01 1inz n LYS 11 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1inz n LYS 11 Cb 0.00 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1inz n LYS 11 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1inz n ASN 12 N 1.68 0.00 -2.06 4.39 5.15 -1.26 -5.15 115.26 118.02 1inz n ASN 12 Ca 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 1inz n ASN 12 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 1inz n ASN 12 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1inz n ILE 13 N -1.30-10.89 -3.89 -1.44 5.41 -1.26 -4.93 119.36 101.07 1inz n ILE 13 Ca 0.00 3.27 -0.35 0.00 1.00 0.00 0.00 62.75 66.66 1inz n ILE 13 Cb 0.00 -4.86 -0.08 0.00 -0.71 0.00 0.00 39.64 33.99 1inz n ILE 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1inz s VAL 14 N -1.14 5.19 0.00 1.39 0.11 -1.26 -4.96 120.40 119.73 1inz s VAL 14 Ca 0.00 0.10 0.16 0.00 -2.93 0.00 0.00 61.98 59.31 1inz s VAL 14 Cb 0.00 -3.32 0.26 0.00 -1.53 0.00 0.00 36.38 31.79 1inz s VAL 14 CO 0.00 0.50 1.08 1.57 -3.33 0.00 0.00 175.10 174.92 1inz n HIS 15 N 3.03 0.00 -0.03 1.54 -0.00 -1.26 -5.09 115.22 113.41 1inz n HIS 15 Ca -0.17 -0.42 0.00 0.00 0.46 0.00 0.00 57.72 57.59 1inz n HIS 15 Cb 0.53 0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.44 1inz n HIS 15 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1inz n ASN 16 N 0.30 0.00 -4.76 0.26 5.03 -1.26 -5.00 115.26 109.83 1inz n ASN 16 Ca -0.03 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.02 1inz n ASN 16 Cb 0.96 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.67 1inz n ASN 16 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1inz s TYR 17 N 1.14 3.72 0.00 3.10 -0.85 -1.26 -4.89 117.35 118.31 1inz s TYR 17 Ca 0.00 1.79 0.00 0.00 -0.52 0.00 0.00 57.07 58.34 1inz s TYR 17 Cb 0.00 -3.12 0.00 0.00 0.38 0.00 0.00 41.96 39.22 1inz s TYR 17 CO 0.00 -0.10 0.00 0.43 -1.52 0.00 0.00 175.55 174.36 1inz n SER 18 N 1.15 0.00 -1.07 -0.18 7.64 -1.26 -4.94 113.62 114.96 1inz n SER 18 Ca -0.01 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.97 1inz n SER 18 Cb 0.46 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.90 1inz n SER 18 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1inz n GLU 19 N 0.00 2.56 0.17 1.43 1.02 -1.26 -4.57 120.64 119.98 1inz n GLU 19 Ca 0.00 -2.31 -0.14 0.00 -0.02 0.00 0.00 57.16 54.69 1inz n GLU 19 Cb 0.00 -1.46 -0.07 0.00 -0.02 0.00 0.00 31.44 29.90 1inz n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1inz h ALA 20 N 3.67 -0.51 -1.05 0.62 0.00 -1.95 -0.42 119.26 119.61 1inz h ALA 20 Ca 0.00 -0.07 0.31 0.00 0.00 0.00 0.00 54.91 55.14 1inz h ALA 20 Cb 0.89 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1inz h ALA 20 CO 0.00 -0.82 1.04 1.05 0.00 0.00 0.00 179.25 180.52 1inz h GLU 21 N -0.53 0.00 0.01 0.00 4.11 -1.81 0.40 114.58 116.76 1inz h GLU 21 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1inz h GLU 21 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1inz h GLU 21 CO -0.07 0.00 -0.12 0.82 0.07 0.00 0.00 179.01 179.71 1inz h ILE 22 N 0.00 1.67 -0.77 -1.06 1.08 -1.40 -2.71 117.51 114.31 1inz h ILE 22 Ca 0.50 -2.12 0.08 0.00 -0.39 0.00 0.00 64.86 62.94 1inz h ILE 22 Cb 2.58 3.08 -0.07 0.00 -3.07 0.00 0.00 36.82 39.35 1inz h ILE 22 CO -0.01 0.56 0.44 0.11 -0.69 0.00 0.00 178.15 178.56 1inz h LYS 23 N -0.77 0.74 -0.53 2.37 1.57 0.04 -1.77 116.57 118.21 1inz h LYS 23 Ca -0.02 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1inz h LYS 23 Cb 0.99 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1inz h LYS 23 CO 0.02 0.49 0.07 0.28 -0.57 0.00 0.00 179.45 179.74 1inz h VAL 24 N 0.76 1.26 -0.75 0.50 2.07 -1.47 -0.97 116.25 117.64 1inz h VAL 24 Ca 0.37 -0.99 0.15 0.00 0.82 0.00 0.00 66.70 67.05 1inz h VAL 24 Cb 0.30 0.85 -0.10 0.00 -1.52 0.00 0.00 31.29 30.82 1inz h VAL 24 CO -0.23 0.36 0.25 -0.09 0.02 0.00 0.00 177.57 177.88 1inz h ARG 25 N 0.78 0.36 0.00 1.57 2.43 -0.98 0.80 114.38 119.34 1inz h ARG 25 Ca 0.16 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.17 1inz h ARG 25 Cb 0.44 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1inz h ARG 25 CO 0.01 0.24 -0.66 0.93 -1.51 0.00 0.00 179.97 178.98 1inz h GLU 26 N 0.37 0.00 0.00 0.20 3.07 -1.29 -3.17 114.58 113.76 1inz h GLU 26 Ca 0.42 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.27 1inz h GLU 26 Cb 0.68 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.59 1inz h GLU 26 CO -0.45 0.66 -0.07 0.00 -1.40 0.00 0.00 179.01 177.76 1inz h ALA 27 N 1.34 1.19 -2.18 3.43 0.00 0.54 -3.23 119.26 120.35 1inz h ALA 27 Ca -0.01 -0.06 -0.61 0.00 0.00 0.00 0.00 54.91 54.23 1inz h ALA 27 Cb 1.46 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.83 1inz h ALA 27 CO 0.09 0.08 -0.52 0.25 0.00 0.00 0.00 179.25 179.15 1inz n THR 28 N -3.45 2.62 0.00 0.00 -2.24 -0.81 -4.78 114.28 105.63 1inz n THR 28 Ca -0.02 -5.31 0.00 0.00 -2.27 0.00 0.00 64.05 56.45 1inz n THR 28 Cb 0.20 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.41 1inz n THR 28 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1inz n SER 29 N 0.74 0.00 -3.65 3.42 7.64 -1.22 -4.89 113.62 115.66 1inz n SER 29 Ca 0.30 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.16 1inz n SER 29 Cb 0.40 0.28 -0.07 0.00 -1.01 0.00 0.00 64.21 63.82 1inz n SER 29 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1inz s ASN 30 N 0.12 -0.17 -0.30 6.43 3.84 -1.26 -4.95 114.94 118.66 1inz s ASN 30 Ca 0.00 0.30 -0.13 0.00 0.21 0.00 0.00 52.86 53.23 1inz s ASN 30 Cb 0.00 0.62 0.14 0.00 -0.55 0.00 0.00 41.25 41.47 1inz s ASN 30 CO 0.00 -0.05 0.84 -0.62 -2.79 0.00 0.00 177.10 174.48 1inz s ASP 31 N 0.52 -0.82 0.26 -4.21 -1.08 -1.26 -5.01 116.67 105.07 1inz s ASP 31 Ca 0.00 1.15 0.00 0.00 -0.52 0.00 0.00 52.55 53.18 1inz s ASP 31 Cb -0.04 1.84 0.00 0.00 -1.46 0.00 0.00 42.92 43.26 1inz s ASP 31 CO -0.12 -0.16 0.00 -2.65 0.52 0.00 0.00 175.17 172.75 1inz n PRO 32 N 4.98 0.48 0.00 4.34 -0.02 -1.26 -4.96 135.00 138.56 1inz n PRO 32 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1inz n PRO 32 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1inz n PRO 32 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1inz n TRP 33 N -1.46 -0.87 0.00 6.00 8.01 -1.26 -5.04 117.44 122.82 1inz n TRP 33 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1inz n TRP 33 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 1inz n TRP 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1inz n GLY 34 N 0.00 -1.83 0.27 6.99 0.00 -1.26 -5.01 105.19 104.35 1inz n GLY 34 Ca 0.00 0.84 0.15 0.00 0.00 0.00 0.00 46.02 47.01 1inz n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1inz h PRO 35 N 0.00 0.00 0.00 1.61 0.13 -2.05 -3.43 132.00 128.26 1inz h PRO 35 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1inz h PRO 35 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1inz h PRO 35 CO 0.00 0.08 0.00 0.45 -0.23 0.00 0.00 178.00 178.30 1inz n SER 36 N -3.36 0.00 -4.46 1.44 2.88 -1.26 -4.96 113.62 103.91 1inz n SER 36 Ca -0.01 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.21 1inz n SER 36 Cb 0.26 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.86 1inz n SER 36 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1inz n SER 37 N 0.00 -1.58 -4.43 -3.46 7.64 -1.26 -4.97 113.62 105.56 1inz n SER 37 Ca 0.00 0.25 -0.35 0.00 1.01 0.00 0.00 58.87 59.78 1inz n SER 37 Cb 0.00 -1.23 -0.13 0.00 -1.01 0.00 0.00 64.21 61.84 1inz n SER 37 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1inz s SER 38 N -2.15 4.81 0.55 6.43 0.15 -1.26 -4.96 113.70 117.26 1inz s SER 38 Ca 0.60 -0.22 0.31 0.00 0.70 0.00 0.00 55.95 57.33 1inz s SER 38 Cb -0.20 -1.83 1.47 0.00 -1.71 0.00 0.00 66.02 63.74 1inz s SER 38 CO 0.65 0.04 1.87 0.25 1.20 0.00 0.00 173.24 177.25 1inz h LEU 39 N 7.66 0.00 -0.24 3.45 5.85 -1.96 0.83 115.31 130.90 1inz h LEU 39 Ca -0.37 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.24 1inz h LEU 39 Cb 1.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1inz h LEU 39 CO 0.60 0.00 -0.28 0.24 -0.34 0.00 0.00 178.44 178.67 1inz h MET 40 N 0.00 0.62 -0.54 1.25 2.86 -1.94 -2.00 114.93 115.17 1inz h MET 40 Ca 0.37 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1inz h MET 40 Cb 1.62 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 33.27 1inz h MET 40 CO -0.00 0.94 0.32 1.03 1.06 0.00 0.00 176.91 180.26 1inz h SER 41 N 0.32 0.64 -0.12 1.22 0.87 -1.25 -1.51 113.55 113.73 1inz h SER 41 Ca 0.03 -0.03 -0.22 0.00 -1.23 0.00 0.00 61.79 60.34 1inz h SER 41 Cb 0.85 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1inz h SER 41 CO 0.07 0.50 -0.78 -0.33 -0.53 0.00 0.00 176.83 175.75 1inz h GLU 42 N 0.74 0.77 -0.22 2.24 5.08 -1.39 -1.93 114.58 119.87 1inz h GLU 42 Ca 0.20 -0.63 -0.06 0.00 -1.00 0.00 0.00 59.36 57.87 1inz h GLU 42 Cb -0.03 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1inz h GLU 42 CO -0.04 1.24 -0.12 0.82 -1.00 0.00 0.00 179.01 179.92 1inz h ILE 43 N 0.52 1.20 -0.01 3.13 2.04 -0.85 -2.14 117.51 121.40 1inz h ILE 43 Ca -0.05 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1inz h ILE 43 Cb 1.41 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1inz h ILE 43 CO 0.16 0.28 -0.12 0.00 0.00 0.00 0.00 178.15 178.47 1inz h ALA 44 N 1.54 0.03 -0.22 1.87 0.00 -1.24 -2.67 119.26 118.58 1inz h ALA 44 Ca 0.07 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.64 1inz h ALA 44 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1inz h ALA 44 CO 0.02 -0.02 0.41 -0.44 0.00 0.00 0.00 179.25 179.22 1inz h ASP 45 N -0.56 0.00 0.12 0.00 3.32 -1.18 0.38 116.42 118.50 1inz h ASP 45 Ca -0.01 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.75 1inz h ASP 45 Cb 0.84 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.42 1inz h ASP 45 CO 0.02 0.00 -1.18 -0.07 -1.72 0.00 0.00 179.24 176.29 1inz h LEU 46 N 0.00 0.86 -0.88 1.55 3.38 -1.10 -3.24 115.31 115.88 1inz h LEU 46 Ca 0.11 -0.77 0.20 0.00 0.09 0.00 0.00 57.88 57.51 1inz h LEU 46 Cb 0.93 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.29 1inz h LEU 46 CO -0.00 1.57 0.39 0.71 0.09 0.00 0.00 178.44 181.19 1inz h THR 47 N 0.30 0.52 -0.81 0.22 1.35 0.10 0.27 112.91 114.87 1inz h THR 47 Ca -0.17 -0.15 0.19 0.00 -0.55 0.00 0.00 66.41 65.73 1inz h THR 47 Cb 1.85 0.05 -0.14 0.00 -1.73 0.00 0.00 68.15 68.18 1inz h THR 47 CO 0.23 0.08 -0.01 1.88 -0.25 0.00 0.00 175.52 177.45 1inz h TYR 48 N 0.43 -0.08 -0.60 4.73 0.05 -1.57 -3.26 116.97 116.66 1inz h TYR 48 Ca 0.53 0.06 -0.21 0.00 0.05 0.00 0.00 58.73 59.17 1inz h TYR 48 Cb 0.97 0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.84 1inz h TYR 48 CO -0.14 -0.28 0.52 -0.80 -1.05 0.00 0.00 178.16 176.41 1inz s ASN 49 N -5.17 4.76 0.00 3.88 0.01 0.96 -4.81 114.94 114.56 1inz s ASN 49 Ca -0.13 -0.48 0.00 0.00 -0.71 0.00 0.00 52.86 51.54 1inz s ASN 49 Cb 0.24 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.34 1inz s ASN 49 CO 0.76 -3.10 0.00 1.33 -1.51 0.00 0.00 177.10 174.58 1inz n VAL 50 N 8.16 0.00 0.20 1.60 0.24 -1.23 0.11 118.33 127.40 1inz n VAL 50 Ca 0.42 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.64 1inz n VAL 50 Cb 0.46 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.79 1inz n VAL 50 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1inz h VAL 51 N 0.00 0.00 -0.83 3.34 2.07 -1.87 -3.14 116.25 115.82 1inz h VAL 51 Ca 0.00 -0.11 0.28 0.00 0.82 0.00 0.00 66.70 67.69 1inz h VAL 51 Cb 0.00 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.62 1inz h VAL 51 CO 0.00 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.80 1inz n ALA 52 N -2.35 0.61 0.40 1.67 0.00 0.29 -0.13 120.51 121.02 1inz n ALA 52 Ca -0.06 0.87 -0.19 0.00 0.00 0.00 0.00 53.44 54.05 1inz n ALA 52 Cb 0.20 -0.73 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 1inz n ALA 52 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1inz h PHE 53 N 0.00 -1.06 -0.95 0.00 3.57 -1.48 -0.07 116.94 116.95 1inz h PHE 53 Ca 0.59 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 62.29 1inz h PHE 53 Cb 1.40 0.37 -0.08 0.00 2.79 0.00 0.00 35.95 40.43 1inz h PHE 53 CO -0.24 -0.63 0.62 1.03 -2.23 0.00 0.00 178.31 176.86 1inz h SER 54 N -1.06 0.48 0.83 0.41 0.87 -0.48 0.22 113.55 114.82 1inz h SER 54 Ca -0.10 0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.38 1inz h SER 54 Cb 0.83 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 1inz h SER 54 CO 0.13 0.17 -0.66 -0.33 -0.53 0.00 0.00 176.83 175.61 1inz h GLU 55 N 0.47 0.00 0.00 2.24 4.39 -0.91 -2.94 114.58 117.82 1inz h GLU 55 Ca 0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.21 1inz h GLU 55 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1inz h GLU 55 CO -0.23 0.66 0.00 -0.89 -1.16 0.00 0.00 179.01 177.40 1inz n ILE 56 N -3.59 0.00 -0.37 3.13 5.41 0.71 -3.11 119.36 121.54 1inz n ILE 56 Ca -0.00 0.85 0.28 0.00 1.00 0.00 0.00 62.75 64.88 1inz n ILE 56 Cb 0.69 -1.85 0.56 0.00 -0.71 0.00 0.00 39.64 38.34 1inz n ILE 56 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1inz h MET 57 N 0.00 0.26 0.24 0.38 2.86 -1.57 -1.33 114.93 115.78 1inz h MET 57 Ca 0.00 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1inz h MET 57 Cb 0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1inz h MET 57 CO 0.00 0.17 -0.32 0.77 1.06 0.00 0.00 176.91 178.59 1inz h SER 58 N 0.27 -0.91 -0.41 1.22 0.02 -1.58 0.35 113.55 112.51 1inz h SER 58 Ca 0.69 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.80 1inz h SER 58 Cb 1.93 0.31 -0.02 0.00 0.14 0.00 0.00 62.40 64.76 1inz h SER 58 CO -0.36 -0.40 0.28 0.24 -1.14 0.00 0.00 176.83 175.46 1inz h MET 59 N -0.58 0.16 -0.33 3.45 2.07 -1.22 0.47 114.93 118.95 1inz h MET 59 Ca -0.03 -0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.55 1inz h MET 59 Cb 0.53 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.20 1inz h MET 59 CO -0.08 0.11 0.04 0.82 1.07 0.00 0.00 176.91 178.87 1inz h ILE 60 N 0.17 1.18 0.00 -1.22 2.04 -0.32 -2.34 117.51 117.02 1inz h ILE 60 Ca 0.19 -0.66 -0.18 0.00 1.00 0.00 0.00 64.86 65.22 1inz h ILE 60 Cb 0.54 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1inz h ILE 60 CO -0.03 0.23 -0.85 -0.50 0.00 0.00 0.00 178.15 177.00 1inz h TRP 61 N 0.49 0.00 0.71 1.37 -0.00 0.11 -2.85 115.95 115.78 1inz h TRP 61 Ca 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.97 1inz h TRP 61 Cb 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.41 1inz h TRP 61 CO 0.01 0.85 -0.44 -0.22 -0.00 0.00 0.00 178.44 178.64 1inz h LYS 62 N 0.00 -1.04 0.00 0.49 1.63 -0.94 -1.95 116.57 114.76 1inz h LYS 62 Ca -0.01 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1inz h LYS 62 Cb 1.56 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 33.43 1inz h LYS 62 CO 0.11 -0.69 0.00 0.00 -3.45 0.00 0.00 179.45 175.42 1inz h ARG 63 N -1.08 0.00 -0.00 1.90 3.08 -1.66 -2.49 114.38 114.13 1inz h ARG 63 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1inz h ARG 63 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1inz h ARG 63 CO 0.09 0.00 -0.03 1.28 -1.07 0.00 0.00 179.97 180.24 1inz n LEU 64 N -2.39 0.05 -0.97 3.04 4.77 -0.79 -3.34 117.00 117.36 1inz n LEU 64 Ca 0.02 0.38 -0.01 0.00 -0.03 0.00 0.00 56.01 56.37 1inz n LEU 64 Cb 0.26 -0.40 0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1inz n LEU 64 CO 0.22 0.01 0.50 0.59 -1.33 0.00 0.00 177.39 177.38 1inz n ASN 65 N -1.40 2.54 -1.04 -1.43 3.02 -0.84 -4.90 115.26 111.20 1inz n ASN 65 Ca 0.10 -2.16 0.13 0.00 -0.03 0.00 0.00 54.58 52.62 1inz n ASN 65 Cb 0.30 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 38.90 1inz n ASN 65 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1inz n ASP 66 N 0.23 -5.69 -3.69 6.41 8.00 -1.24 -5.03 116.55 115.53 1inz n ASP 66 Ca 0.06 0.53 -0.01 0.00 0.71 0.00 0.00 54.79 56.08 1inz n ASP 66 Cb 0.54 -3.34 -0.01 0.00 -0.02 0.00 0.00 41.12 38.29 1inz n ASP 66 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1inz s HIS 67 N -2.52 -0.09 0.00 1.24 3.76 -1.26 -4.98 115.29 111.45 1inz s HIS 67 Ca 0.00 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 1inz s HIS 67 Cb 0.00 0.60 0.00 0.00 1.11 0.00 0.00 32.58 34.29 1inz s HIS 67 CO 0.00 -0.61 0.09 0.41 -0.85 0.00 0.00 174.74 173.79 1inz n GLY 68 N -0.49 -1.91 2.79 -2.22 0.00 -1.26 -4.11 105.19 97.99 1inz n GLY 68 Ca -0.07 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1inz n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1inz n LYS 69 N -0.13 4.07 -0.32 1.61 4.81 -1.26 -4.55 118.16 122.39 1inz n LYS 69 Ca 0.00 -4.68 0.00 0.00 -0.87 0.00 0.00 58.31 52.76 1inz n LYS 69 Cb 0.00 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 32.72 1inz n LYS 69 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1inz n ASN 70 N -0.22 0.00 -0.01 3.14 3.02 -1.26 -4.87 115.26 115.06 1inz n ASN 70 Ca 0.39 -1.47 0.23 0.00 -0.03 0.00 0.00 54.58 53.70 1inz n ASN 70 Cb 0.35 -0.09 0.63 0.00 -0.61 0.00 0.00 39.78 40.06 1inz n ASN 70 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1inz h TRP 71 N 0.00 0.00 -0.63 3.10 5.08 -1.80 -0.60 115.95 121.10 1inz h TRP 71 Ca 0.00 0.00 0.13 0.00 1.08 0.00 0.00 58.89 60.10 1inz h TRP 71 Cb 1.19 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 27.24 1inz h TRP 71 CO -0.00 0.00 0.01 0.00 -1.28 0.00 0.00 178.44 177.17 1inz h ARG 72 N 0.00 0.12 -0.45 0.12 3.08 -1.95 -0.34 114.38 114.96 1inz h ARG 72 Ca 0.29 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.41 1inz h ARG 72 Cb 1.76 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.72 1inz h ARG 72 CO -0.00 0.08 0.09 0.45 -1.07 0.00 0.00 179.97 179.51 1inz h HIS 73 N 0.12 0.14 -0.59 3.04 3.86 -1.43 -1.95 115.15 118.34 1inz h HIS 73 Ca 0.33 0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.69 1inz h HIS 73 Cb 0.54 0.01 -0.11 0.00 1.06 0.00 0.00 27.41 28.90 1inz h HIS 73 CO -0.36 -0.00 -0.17 0.28 0.86 0.00 0.00 177.93 178.54 1inz h VAL 74 N 0.22 0.38 0.24 2.45 2.07 -1.06 -0.20 116.25 120.35 1inz h VAL 74 Ca 0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1inz h VAL 74 Cb 0.29 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1inz h VAL 74 CO -0.30 0.00 -0.46 0.22 0.02 0.00 0.00 177.57 177.06 1inz h TYR 75 N -0.02 -1.30 -0.24 1.57 3.20 -1.13 0.24 116.97 119.28 1inz h TYR 75 Ca 0.28 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.24 1inz h TYR 75 Cb 0.45 0.54 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1inz h TYR 75 CO -0.50 -0.55 0.44 0.87 -1.64 0.00 0.00 178.16 176.78 1inz h LYS 76 N -0.75 0.00 -0.11 1.82 1.57 -1.18 0.68 116.57 118.60 1inz h LYS 76 Ca -0.03 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1inz h LYS 76 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1inz h LYS 76 CO -0.18 0.00 -0.18 0.00 -0.57 0.00 0.00 179.45 178.53 1inz h ALA 77 N 1.35 0.17 -0.93 3.86 0.00 0.12 -3.06 119.26 120.77 1inz h ALA 77 Ca 0.12 -0.35 0.16 0.00 0.00 0.00 0.00 54.91 54.83 1inz h ALA 77 Cb 0.99 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 1inz h ALA 77 CO -0.00 0.09 0.59 0.52 0.00 0.00 0.00 179.25 180.45 1inz h MET 78 N -0.11 0.67 0.60 0.00 2.86 0.13 -2.20 114.93 116.88 1inz h MET 78 Ca 0.01 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1inz h MET 78 Cb 0.74 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.26 1inz h MET 78 CO 0.04 0.44 -0.29 1.15 1.06 0.00 0.00 176.91 179.31 1inz h THR 79 N 0.69 0.00 -0.02 2.22 2.02 -1.45 -1.90 112.91 114.46 1inz h THR 79 Ca 0.48 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.57 1inz h THR 79 Cb 0.81 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1inz h THR 79 CO -0.24 0.00 -0.03 0.25 0.37 0.00 0.00 175.52 175.87 1inz h LEU 80 N -0.91 -0.09 -1.34 2.58 5.85 -1.38 0.34 115.31 120.36 1inz h LEU 80 Ca -0.08 0.01 0.46 0.00 0.84 0.00 0.00 57.88 59.11 1inz h LEU 80 Cb 0.62 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 41.55 1inz h LEU 80 CO 0.14 -0.02 0.86 0.80 -0.34 0.00 0.00 178.44 179.88 1inz n MET 81 N -2.87 -0.03 0.10 1.25 1.56 -0.86 -1.22 117.12 115.05 1inz n MET 81 Ca -0.00 1.21 -0.04 0.00 -0.27 0.00 0.00 57.70 58.59 1inz n MET 81 Cb 0.01 -2.38 -0.02 0.00 2.15 0.00 0.00 33.22 32.98 1inz n MET 81 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1inz h GLU 82 N 0.00 -0.27 -0.92 2.12 4.22 0.48 -2.36 114.58 117.86 1inz h GLU 82 Ca 0.85 0.02 0.21 0.00 0.08 0.00 0.00 59.36 60.51 1inz h GLU 82 Cb 2.75 0.06 -0.17 0.00 0.50 0.00 0.00 28.75 31.89 1inz h GLU 82 CO -0.44 -0.18 -0.14 -0.92 -2.18 0.00 0.00 179.01 175.16 1inz h TYR 83 N -0.46 -0.32 -0.16 0.92 5.03 0.06 0.19 116.97 122.23 1inz h TYR 83 Ca -0.03 0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1inz h TYR 83 Cb 0.21 0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 1inz h TYR 83 CO 0.07 -0.39 0.10 -0.07 -1.32 0.00 0.00 178.16 176.56 1inz h LEU 84 N 0.01 0.17 -2.17 2.82 3.38 -1.44 -0.84 115.31 117.24 1inz h LEU 84 Ca 0.48 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.50 1inz h LEU 84 Cb 0.83 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1inz h LEU 84 CO -0.91 0.12 0.28 0.40 0.09 0.00 0.00 178.44 178.43 1inz h ILE 85 N 0.21 0.25 0.00 1.22 2.04 -0.08 1.26 117.51 122.40 1inz h ILE 85 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1inz h ILE 85 Cb -0.02 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1inz h ILE 85 CO -0.02 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.42 1inz n LYS 86 N -3.43 0.00 0.10 2.37 5.02 -0.41 -4.62 118.16 117.19 1inz n LYS 86 Ca 0.01 0.08 0.10 0.00 -2.02 0.00 0.00 58.31 56.49 1inz n LYS 86 Cb 0.39 -0.43 -0.00 0.00 -0.02 0.00 0.00 35.03 34.96 1inz n LYS 86 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1inz h THR 87 N 0.00 0.05 0.00 -0.18 1.03 -1.34 -3.40 112.91 109.08 1inz h THR 87 Ca 0.00 -1.10 0.00 0.00 -0.01 0.00 0.00 66.41 65.30 1inz h THR 87 Cb 0.00 1.57 0.00 0.00 -1.07 0.00 0.00 68.15 68.65 1inz h THR 87 CO 0.00 0.03 0.00 0.61 -0.01 0.00 0.00 175.52 176.15 1inz n GLY 88 N 1.20 -3.22 0.00 2.99 0.00 0.43 -4.77 105.19 101.81 1inz n GLY 88 Ca -0.01 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1inz n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1inz n SER 89 N -2.06 0.00 0.18 1.61 2.88 -0.96 -4.03 113.62 111.23 1inz n SER 89 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1inz n SER 89 Cb 0.00 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 63.94 1inz n SER 89 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1inz h GLU 90 N 0.00 0.00 0.02 -1.46 5.08 -1.91 -3.05 114.58 113.27 1inz h GLU 90 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1inz h GLU 90 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1inz h GLU 90 CO 0.00 0.00 -0.98 0.00 -1.00 0.00 0.00 179.01 177.03 1inz h ARG 91 N 0.00 0.35 0.17 2.33 3.08 -1.94 -2.70 114.38 115.66 1inz h ARG 91 Ca 0.00 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 1inz h ARG 91 Cb 0.57 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1inz h ARG 91 CO 0.00 1.09 -0.08 0.28 -1.07 0.00 0.00 179.97 180.20 1inz h VAL 92 N 0.18 0.91 -0.63 2.04 2.07 -1.86 -2.06 116.25 116.91 1inz h VAL 92 Ca -0.08 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1inz h VAL 92 Cb 1.62 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 1inz h VAL 92 CO 0.16 0.08 0.36 0.77 0.02 0.00 0.00 177.57 178.95 1inz h SER 93 N -0.38 0.77 -0.38 0.57 4.64 -1.65 -2.56 113.55 114.57 1inz h SER 93 Ca -0.02 -0.08 0.07 0.00 -0.47 0.00 0.00 61.79 61.29 1inz h SER 93 Cb 0.29 -0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 62.12 1inz h SER 93 CO 0.04 0.63 -0.05 1.56 -0.87 0.00 0.00 176.83 178.15 1inz h GLN 94 N 0.85 0.05 -0.70 4.77 1.08 -1.34 -0.70 115.11 119.13 1inz h GLN 94 Ca 0.22 -0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.50 1inz h GLN 94 Cb 0.02 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.38 1inz h GLN 94 CO -0.04 0.03 0.36 0.37 -0.95 0.00 0.00 178.83 178.60 1inz h GLN 95 N 0.05 0.61 -0.82 1.46 4.15 -1.03 -0.49 115.11 119.05 1inz h GLN 95 Ca 0.18 -0.04 0.15 0.00 0.77 0.00 0.00 58.65 59.72 1inz h GLN 95 Cb 0.27 -0.14 -0.10 0.00 0.21 0.00 0.00 27.48 27.73 1inz h GLN 95 CO -0.35 0.40 0.38 0.00 -1.93 0.00 0.00 178.83 177.34 1inz h LYS 97 N 0.54 0.57 0.00 0.00 1.79 -0.64 0.31 116.57 119.15 1inz h LYS 97 Ca 0.45 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1inz h LYS 97 Cb 0.67 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1inz h LYS 97 CO -0.39 0.73 0.00 0.39 -1.08 0.00 0.00 179.45 179.11 1inz n GLU 98 N -4.15 0.06 -2.47 3.15 1.02 0.67 -3.61 120.64 115.29 1inz n GLU 98 Ca 0.00 0.08 -0.03 0.00 -0.02 0.00 0.00 57.16 57.19 1inz n GLU 98 Cb 0.38 -1.57 0.05 0.00 -0.02 0.00 0.00 31.44 30.27 1inz n GLU 98 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1inz n ASN 99 N -1.67 2.04 0.06 1.62 5.15 1.00 -4.87 115.26 118.59 1inz n ASN 99 Ca 0.06 -2.35 0.02 0.00 -0.60 0.00 0.00 54.58 51.71 1inz n ASN 99 Cb 0.34 -0.44 0.38 0.00 -0.53 0.00 0.00 39.78 39.53 1inz n ASN 99 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 1inz h MET 100 N 2.29 0.40 -0.00 1.20 2.86 -0.47 -1.31 114.93 119.90 1inz h MET 100 Ca -0.07 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1inz h MET 100 Cb 1.38 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.98 1inz h MET 100 CO 0.26 0.41 0.00 1.88 1.06 0.00 0.00 176.91 180.52 1inz h TYR 101 N 0.39 0.00 0.17 -0.22 -1.99 -1.89 -0.45 116.97 112.98 1inz h TYR 101 Ca 0.09 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.56 1inz h TYR 101 Cb 0.22 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.97 1inz h TYR 101 CO 0.01 0.00 -1.22 0.00 -0.00 0.00 0.00 178.16 176.94 1inz h ALA 102 N 2.00 -0.03 0.00 3.88 0.00 -1.61 -1.70 119.26 121.80 1inz h ALA 102 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1inz h ALA 102 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1inz h ALA 102 CO -0.00 0.62 0.00 0.28 0.00 0.00 0.00 179.25 180.15 1inz h VAL 103 N -0.17 0.00 0.02 0.00 2.07 -1.36 -3.18 116.25 113.63 1inz h VAL 103 Ca -0.23 -0.73 -0.32 0.00 0.82 0.00 0.00 66.70 66.24 1inz h VAL 103 Cb 1.86 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 33.30 1inz h VAL 103 CO 0.17 0.00 -1.88 0.00 0.02 0.00 0.00 177.57 175.88 1inz n GLN 104 N -3.03 0.66 0.27 1.57 6.02 -0.24 -3.95 117.38 118.69 1inz n GLN 104 Ca 0.02 0.25 0.18 0.00 -0.01 0.00 0.00 57.00 57.44 1inz n GLN 104 Cb 0.41 -1.73 0.94 0.00 1.02 0.00 0.00 30.24 30.88 1inz n GLN 104 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1inz h THR 105 N 0.01 0.35 -0.38 5.09 1.03 -1.28 -1.23 112.91 116.50 1inz h THR 105 Ca -0.36 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 65.91 1inz h THR 105 Cb 2.05 0.91 -0.01 0.00 -1.07 0.00 0.00 68.15 70.03 1inz h THR 105 CO 0.07 0.00 -0.29 -0.07 -0.01 0.00 0.00 175.52 175.22 1inz h LEU 106 N 0.00 0.91 -1.93 0.00 3.38 -1.68 -1.65 115.31 114.34 1inz h LEU 106 Ca 0.03 -0.44 0.27 0.00 0.09 0.00 0.00 57.88 57.83 1inz h LEU 106 Cb 0.25 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1inz h LEU 106 CO -0.00 1.16 0.73 0.50 0.09 0.00 0.00 178.44 180.92 1inz h LYS 107 N 0.67 0.00 0.00 1.13 3.64 -1.33 0.14 116.57 120.82 1inz h LYS 107 Ca 0.07 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 1inz h LYS 107 Cb 0.87 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 1inz h LYS 107 CO 0.08 0.00 -2.10 -0.25 -2.27 0.00 0.00 179.45 174.91 1inz n ASP 108 N -4.03 0.07 -4.67 4.20 8.00 -1.07 -4.72 116.55 114.31 1inz n ASP 108 Ca 0.19 0.03 -0.60 0.00 0.71 0.00 0.00 54.79 55.12 1inz n ASP 108 Cb 1.05 1.47 -0.08 0.00 -0.02 0.00 0.00 41.12 43.54 1inz n ASP 108 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1inz n PHE 109 N -2.50 1.89 -3.80 1.24 7.35 0.50 -4.92 117.46 117.23 1inz n PHE 109 Ca -0.16 0.70 -0.13 0.00 -0.76 0.00 0.00 57.45 57.11 1inz n PHE 109 Cb 0.82 -2.39 -0.09 0.00 0.35 0.00 0.00 39.48 38.16 1inz n PHE 109 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 1inz s GLN 110 N 3.77 0.57 -0.30 -4.13 0.00 -1.26 -4.83 119.66 113.48 1inz s GLN 110 Ca 1.03 -0.17 -0.17 0.00 -0.00 0.00 0.00 55.36 56.05 1inz s GLN 110 Cb -1.20 0.25 0.20 0.00 0.00 0.00 0.00 33.01 32.25 1inz s GLN 110 CO 0.69 -0.14 1.21 -0.47 0.00 0.00 0.00 175.29 176.58 1inz s TYR 111 N -1.14 -0.18 -0.11 9.60 5.04 -1.26 -5.05 117.35 124.25 1inz s TYR 111 Ca -0.12 0.34 0.19 0.00 -2.44 0.00 0.00 57.07 55.04 1inz s TYR 111 Cb -0.05 0.11 0.43 0.00 0.35 0.00 0.00 41.96 42.79 1inz s TYR 111 CO 0.03 -0.09 1.19 0.28 -1.34 0.00 0.00 175.55 175.62 1inz n VAL 112 N 3.62 1.03 -4.98 3.14 0.31 -1.26 -4.88 118.33 115.31 1inz n VAL 112 Ca -0.14 -2.12 0.00 0.00 -0.01 0.00 0.00 64.34 62.07 1inz n VAL 112 Cb 0.56 0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.94 1inz n VAL 112 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1inz n ASP 113 N -0.24 0.00 -0.02 4.52 2.03 -1.26 -2.43 116.55 119.15 1inz n ASP 113 Ca 0.13 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.43 1inz n ASP 113 Cb 0.94 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.34 1inz n ASP 113 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1inz h ARG 114 N 0.00 0.00 -2.33 -0.67 3.08 -2.03 -3.43 114.38 109.00 1inz h ARG 114 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1inz h ARG 114 Cb 0.00 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 29.63 1inz h ARG 114 CO 0.00 0.00 -0.62 -3.47 -1.07 0.00 0.00 179.97 174.81 1inz n ASP 115 N -3.02 3.39 -0.83 7.04 2.03 -1.26 -5.06 116.55 118.85 1inz n ASP 115 Ca -0.02 -3.35 0.00 0.00 0.52 0.00 0.00 54.79 51.94 1inz n ASP 115 Cb 0.06 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 1inz n ASP 115 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1inz n GLY 116 N 1.08 5.79 3.56 0.27 0.00 -1.02 -5.16 105.19 109.72 1inz n GLY 116 Ca 0.28 -2.10 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 1inz n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1inz s LYS 117 N -0.10 1.98 -0.89 1.61 1.02 -1.26 -5.02 119.74 117.09 1inz s LYS 117 Ca 0.00 -1.63 -0.25 0.00 0.02 0.00 0.00 55.97 54.11 1inz s LYS 117 Cb 0.00 -1.95 0.01 0.00 -0.52 0.00 0.00 37.83 35.38 1inz s LYS 117 CO 0.00 0.31 1.58 -0.51 -0.92 0.00 0.00 175.35 175.81 1inz s ASP 118 N -3.61 5.96 -0.24 2.83 1.01 -1.26 -4.76 116.67 116.61 1inz s ASP 118 Ca 0.31 -0.86 0.11 0.00 0.71 0.00 0.00 52.55 52.82 1inz s ASP 118 Cb -0.05 -2.56 0.45 0.00 1.01 0.00 0.00 42.92 41.77 1inz s ASP 118 CO 0.18 -1.97 1.19 0.00 0.21 0.00 0.00 175.17 174.78 1inz n GLN 119 N 9.02 2.52 -1.67 8.23 10.64 -1.26 -4.70 117.38 140.16 1inz n GLN 119 Ca 0.27 -3.68 0.02 0.00 -1.83 0.00 0.00 57.00 51.79 1inz n GLN 119 Cb 0.50 -1.85 0.05 0.00 -0.86 0.00 0.00 30.24 28.07 1inz n GLN 119 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1inz n GLY 120 N -0.78 1.84 0.12 2.61 0.00 -1.26 -4.85 105.19 102.87 1inz n GLY 120 Ca 0.30 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 1inz n GLY 120 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1inz h VAL 121 N 5.84 0.92 -0.75 1.61 3.04 -1.92 -3.33 116.25 121.67 1inz h VAL 121 Ca -0.16 -2.34 0.15 0.00 -1.01 0.00 0.00 66.70 63.34 1inz h VAL 121 Cb 1.66 2.58 -0.14 0.00 -2.01 0.00 0.00 31.29 33.37 1inz h VAL 121 CO 0.13 0.67 -0.17 0.78 -1.01 0.00 0.00 177.57 177.97 1inz h ASN 122 N -0.37 -0.67 -0.77 3.17 -0.26 -1.97 0.46 115.58 115.18 1inz h ASN 122 Ca -0.34 0.22 0.02 0.00 -0.56 0.00 0.00 56.30 55.64 1inz h ASN 122 Cb 1.72 0.45 -0.04 0.00 -1.06 0.00 0.00 38.32 39.39 1inz h ASN 122 CO 0.01 -0.24 0.51 1.62 -1.06 0.00 0.00 177.43 178.27 1inz h VAL 123 N 0.01 1.16 0.17 2.81 3.04 -1.94 -1.44 116.25 120.06 1inz h VAL 123 Ca 0.36 -0.34 -0.01 0.00 -1.01 0.00 0.00 66.70 65.70 1inz h VAL 123 Cb 0.56 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.92 1inz h VAL 123 CO -0.76 0.18 -0.08 0.03 -1.01 0.00 0.00 177.57 175.93 1inz h ARG 124 N 1.00 -0.21 -0.83 4.17 3.08 -0.21 -2.64 114.38 118.74 1inz h ARG 124 Ca 0.29 0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.56 1inz h ARG 124 Cb -0.05 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1inz h ARG 124 CO -0.07 -0.14 0.57 1.05 -1.07 0.00 0.00 179.97 180.30 1inz h GLU 125 N -0.25 0.27 0.50 0.04 -0.00 -1.38 -2.02 114.58 111.74 1inz h GLU 125 Ca -0.02 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.36 59.30 1inz h GLU 125 Cb 0.17 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 28.86 1inz h GLU 125 CO 0.04 0.18 -0.26 -0.22 -0.00 0.00 0.00 179.01 178.75 1inz h LYS 126 N 0.28 -0.67 -0.91 1.06 3.11 -1.18 -2.23 116.57 116.02 1inz h LYS 126 Ca 0.42 0.05 0.13 0.00 -2.81 0.00 0.00 60.65 58.43 1inz h LYS 126 Cb 1.21 0.15 -0.09 0.00 -1.00 0.00 0.00 32.23 32.50 1inz h LYS 126 CO -0.11 -0.45 0.54 0.00 -2.81 0.00 0.00 179.45 176.61 1inz h ALA 127 N -0.21 1.37 -0.58 5.00 0.00 -0.99 -0.19 119.26 123.66 1inz h ALA 127 Ca -0.06 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1inz h ALA 127 Cb 0.55 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1inz h ALA 127 CO 0.10 0.09 0.39 -0.22 0.00 0.00 0.00 179.25 179.60 1inz h LYS 128 N 0.83 0.74 0.06 0.00 3.11 -1.22 -2.69 116.57 117.39 1inz h LYS 128 Ca 0.47 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 58.26 1inz h LYS 128 Cb 0.53 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1inz h LYS 128 CO -0.29 0.49 -0.03 1.96 -2.81 0.00 0.00 179.45 178.77 1inz h GLN 129 N 0.77 -0.08 -0.57 1.90 1.08 -0.44 -1.10 115.11 116.67 1inz h GLN 129 Ca 0.22 0.01 0.16 0.00 -1.45 0.00 0.00 58.65 57.59 1inz h GLN 129 Cb -0.05 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1inz h GLN 129 CO -0.05 0.25 0.42 1.25 -0.95 0.00 0.00 178.83 179.75 1inz h LEU 130 N -0.42 0.00 0.00 1.46 6.46 -1.21 0.95 115.31 122.55 1inz h LEU 130 Ca -0.01 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.52 1inz h LEU 130 Cb 0.37 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.26 1inz h LEU 130 CO 0.01 0.00 -1.19 0.58 -0.62 0.00 0.00 178.44 177.22 1inz h VAL 131 N 0.00 1.38 0.05 1.05 2.07 -1.22 -3.06 116.25 116.52 1inz h VAL 131 Ca 0.27 -3.10 -0.00 0.00 0.82 0.00 0.00 66.70 64.68 1inz h VAL 131 Cb 1.10 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 1inz h VAL 131 CO -0.00 0.78 -0.02 0.00 0.02 0.00 0.00 177.57 178.35 1inz h ALA 132 N 1.04 -0.07 0.12 1.67 0.00 0.48 -2.42 119.26 120.09 1inz h ALA 132 Ca -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1inz h ALA 132 Cb 1.82 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1inz h ALA 132 CO 0.11 -0.30 -0.06 1.25 0.00 0.00 0.00 179.25 180.25 1inz h LEU 133 N -0.54 -0.14 -1.09 0.00 7.12 -1.50 -2.17 115.31 116.99 1inz h LEU 133 Ca -0.01 -0.14 0.17 0.00 0.13 0.00 0.00 57.88 58.04 1inz h LEU 133 Cb 0.48 0.04 -0.09 0.00 -0.53 0.00 0.00 40.66 40.55 1inz h LEU 133 CO 0.01 0.05 0.61 -0.07 -0.13 0.00 0.00 178.44 178.92 1inz h LEU 134 N -0.33 0.76 -5.47 2.25 4.07 -1.62 -2.54 115.31 112.43 1inz h LEU 134 Ca -0.02 0.08 -0.65 0.00 0.08 0.00 0.00 57.88 57.36 1inz h LEU 134 Cb 0.27 -0.07 -0.38 0.00 1.08 0.00 0.00 40.66 41.57 1inz h LEU 134 CO 0.03 0.31 -0.15 -1.14 -1.08 0.00 0.00 178.44 176.42 1inz n ARG 135 N -4.69 3.83 -0.05 1.13 0.63 -0.91 -4.83 116.66 111.77 1inz n ARG 135 Ca 0.22 -4.74 -0.00 0.00 -0.92 0.00 0.00 57.85 52.40 1inz n ARG 135 Cb 0.54 -2.30 -0.00 0.00 0.45 0.00 0.00 32.46 31.14 1inz n ARG 135 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1inz h ASP 136 N 3.27 0.00 -3.10 6.15 3.32 -0.95 -3.46 116.42 121.66 1inz h ASP 136 Ca 0.27 -0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.78 1inz h ASP 136 Cb 0.47 0.00 0.22 0.00 0.22 0.00 0.00 39.33 40.24 1inz h ASP 136 CO 0.94 0.51 -0.83 -1.84 -1.72 0.00 0.00 179.24 176.30 1inz n GLU 137 N -4.77 -0.31 -4.14 3.56 0.28 -1.26 -5.01 120.64 108.98 1inz n GLU 137 Ca -0.00 -0.06 -0.17 0.00 -0.16 0.00 0.00 57.16 56.77 1inz n GLU 137 Cb 0.01 -1.70 -0.12 0.00 1.43 0.00 0.00 31.44 31.06 1inz n GLU 137 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1inz s ASP 138 N -1.83 1.46 -0.22 -1.84 2.15 -1.26 -5.02 116.67 110.10 1inz s ASP 138 Ca 0.54 -0.60 0.04 0.00 0.43 0.00 0.00 52.55 52.95 1inz s ASP 138 Cb -0.20 -0.03 0.40 0.00 -0.30 0.00 0.00 42.92 42.80 1inz s ASP 138 CO 0.70 -0.11 1.44 0.54 -0.17 0.00 0.00 175.17 177.56 1inz n ARG 139 N 1.32 2.12 -3.56 4.34 1.74 -1.26 -4.90 116.66 116.46 1inz n ARG 139 Ca -0.22 -1.73 -0.24 0.00 -0.77 0.00 0.00 57.85 54.89 1inz n ARG 139 Cb 0.54 -1.74 0.03 0.00 -1.02 0.00 0.00 32.46 30.27 1inz n ARG 139 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1inz n LEU 140 N -0.22 -3.57 -0.12 0.55 7.94 -1.26 -4.88 117.00 115.43 1inz n LEU 140 Ca 0.29 -0.83 -0.12 0.00 -1.11 0.00 0.00 56.01 54.24 1inz n LEU 140 Cb 1.07 -2.50 -0.02 0.00 0.53 0.00 0.00 43.42 42.50 1inz n LEU 140 CO 0.30 0.17 0.62 0.03 -1.11 0.00 0.00 177.39 177.39 1inz h ARG 141 N -1.21 0.85 0.00 1.96 3.08 -2.03 -3.48 114.38 113.54 1inz h ARG 141 Ca -0.55 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.10 1inz h ARG 141 Cb 1.30 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 1inz h ARG 141 CO 0.43 1.04 -0.00 0.39 -1.07 0.00 0.00 179.97 180.76 1inz n GLU 142 N -4.19 -0.02 -1.40 0.04 1.02 -1.26 -5.00 120.64 109.83 1inz n GLU 142 Ca -0.02 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1inz n GLU 142 Cb 0.47 -0.03 -0.07 0.00 -0.02 0.00 0.00 31.44 31.79 1inz n GLU 142 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1inz n GLU 143 N -1.99 -3.36 0.00 3.49 0.00 -1.26 -5.25 120.64 112.28 1inz n GLU 143 Ca 0.00 2.71 0.00 0.00 0.00 0.00 0.00 57.16 59.87 1inz n GLU 143 Cb 0.01 -3.72 0.00 0.00 0.00 0.00 0.00 31.44 27.72 1inz n GLU 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67