#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 5.64 -0.18 1.61 0.15 -1.26 -5.10 113.70 114.56 1inz s SER -2 Ca 0.00 -0.27 -0.07 0.00 0.70 0.00 0.00 55.95 56.30 1inz s SER -2 Cb 0.00 -1.30 -0.04 0.00 -1.71 0.00 0.00 66.02 62.97 1inz s SER -2 CO 0.00 -0.22 0.07 -0.44 1.20 0.00 0.00 173.24 173.85 1inz s SER -1 N -3.97 5.67 -0.41 5.45 0.01 -1.26 -5.00 113.70 114.19 1inz s SER -1 Ca 0.38 0.10 0.08 0.00 1.31 0.00 0.00 55.95 57.81 1inz s SER -1 Cb -0.08 -1.96 0.43 0.00 0.21 0.00 0.00 66.02 64.62 1inz s SER -1 CO 0.27 0.19 1.09 -1.14 0.41 0.00 0.00 173.24 174.06 1inz n ARG 0 N 3.45 3.04 -2.31 12.44 0.63 -1.26 -5.04 116.66 127.61 1inz n ARG 0 Ca -0.17 -4.27 -0.43 0.00 -0.92 0.00 0.00 57.85 52.07 1inz n ARG 0 Cb 0.52 -2.08 -0.02 0.00 0.45 0.00 0.00 32.46 31.33 1inz n ARG 0 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 1inz s MET 1 N -3.48 3.91 -0.22 -0.14 1.75 -1.26 -4.99 119.30 114.87 1inz s MET 1 Ca 0.44 1.44 0.01 0.00 -1.25 0.00 0.00 55.69 56.34 1inz s MET 1 Cb 0.41 -3.92 0.03 0.00 2.84 0.00 0.00 34.83 34.19 1inz s MET 1 CO -0.14 -1.13 -0.14 -1.54 -0.65 0.00 0.00 175.02 171.42 1inz s SER 2 N 3.20 3.85 -0.27 1.11 1.04 -1.26 -5.09 113.70 116.28 1inz s SER 2 Ca 0.61 -0.95 -0.20 0.00 0.48 0.00 0.00 55.95 55.89 1inz s SER 2 Cb -0.20 -1.55 -0.02 0.00 0.10 0.00 0.00 66.02 64.36 1inz s SER 2 CO 0.24 -0.09 0.63 0.42 0.98 0.00 0.00 173.24 175.42 1inz s THR 3 N 1.23 4.97 0.00 2.02 -4.23 -1.26 -5.06 115.64 113.31 1inz s THR 3 Ca -0.01 1.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.53 1inz s THR 3 Cb -0.16 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 69.72 1inz s THR 3 CO -0.08 -0.04 0.00 -1.20 -0.54 0.00 0.00 174.62 172.76 1inz n SER 4 N 5.78 -0.13 -4.37 3.99 7.64 -1.26 -5.07 113.62 120.20 1inz n SER 4 Ca -0.01 -0.03 -0.19 0.00 1.01 0.00 0.00 58.87 59.65 1inz n SER 4 Cb 0.49 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.59 1inz n SER 4 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1inz s SER 5 N -1.66 2.18 -0.47 6.43 0.01 -1.26 -5.04 113.70 113.89 1inz s SER 5 Ca 0.00 -1.23 0.03 0.00 1.31 0.00 0.00 55.95 56.07 1inz s SER 5 Cb 0.00 -0.06 0.55 0.00 0.21 0.00 0.00 66.02 66.72 1inz s SER 5 CO 0.00 -0.47 1.79 0.00 0.41 0.00 0.00 173.24 174.97 1inz n LEU 6 N -0.50 6.33 -1.92 2.44 -0.00 -1.26 -4.53 117.00 117.55 1inz n LEU 6 Ca -0.05 -3.97 -0.11 0.00 -0.00 0.00 0.00 56.01 51.87 1inz n LEU 6 Cb 0.64 -0.79 0.25 0.00 -0.00 0.00 0.00 43.42 43.51 1inz n LEU 6 CO 0.38 1.33 1.07 0.54 -0.00 0.00 0.00 177.39 180.71 1inz n ARG 7 N -1.03 2.93 -3.74 1.47 1.74 -1.26 -4.93 116.66 111.84 1inz n ARG 7 Ca 0.54 -3.07 -0.13 0.00 -0.77 0.00 0.00 57.85 54.42 1inz n ARG 7 Cb 1.16 -2.14 -0.09 0.00 -1.02 0.00 0.00 32.46 30.37 1inz n ARG 7 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1inz s ARG 8 N -3.13 0.59 0.52 5.56 0.52 -1.26 -5.17 118.95 116.58 1inz s ARG 8 Ca 0.54 0.14 -0.01 0.00 -0.52 0.00 0.00 55.73 55.88 1inz s ARG 8 Cb 0.45 0.27 0.01 0.00 0.52 0.00 0.00 34.95 36.20 1inz s ARG 8 CO 0.11 -0.13 0.76 -1.14 0.02 0.00 0.00 175.30 174.91 1inz s GLN 9 N -0.66 2.84 0.70 3.54 -0.44 -1.26 -5.10 119.66 119.28 1inz s GLN 9 Ca -0.08 -0.49 -0.02 0.00 -2.50 0.00 0.00 55.36 52.27 1inz s GLN 9 Cb -0.04 -2.47 0.10 0.00 -1.64 0.00 0.00 33.01 28.97 1inz s GLN 9 CO 0.03 -0.53 0.97 0.00 0.50 0.00 0.00 175.29 176.27 1inz s MET 10 N -4.72 1.85 0.00 1.67 0.23 -1.26 -5.11 119.30 111.96 1inz s MET 10 Ca 0.53 -0.88 0.00 0.00 -1.03 0.00 0.00 55.69 54.31 1inz s MET 10 Cb -0.10 -2.31 0.00 0.00 -1.53 0.00 0.00 34.83 30.89 1inz s MET 10 CO 0.40 -1.34 0.00 0.36 -2.03 0.00 0.00 175.02 172.41 1inz n LYS 11 N -2.81 0.89 -3.07 3.16 2.85 -1.26 -5.05 118.16 112.87 1inz n LYS 11 Ca 0.13 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.17 1inz n LYS 11 Cb 0.60 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.95 1inz n LYS 11 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1inz n ASN 12 N -2.10 2.24 -3.13 -5.58 0.23 -1.26 -5.10 115.26 100.57 1inz n ASN 12 Ca 0.00 -3.26 -0.14 0.00 -0.53 0.00 0.00 54.58 50.65 1inz n ASN 12 Cb 0.00 -0.59 0.09 0.00 -2.08 0.00 0.00 39.78 37.20 1inz n ASN 12 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1inz n ILE 13 N 0.06 0.00 -2.55 1.53 3.06 -1.26 -5.03 119.36 115.17 1inz n ILE 13 Ca 0.27 -0.64 -0.37 0.00 -2.50 0.00 0.00 62.75 59.52 1inz n ILE 13 Cb 0.57 -1.49 -0.04 0.00 0.54 0.00 0.00 39.64 39.21 1inz n ILE 13 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1inz s VAL 14 N -2.11 3.74 0.32 9.51 1.01 -1.26 -5.06 120.40 126.56 1inz s VAL 14 Ca 0.37 1.34 0.10 0.00 0.00 0.00 0.00 61.98 63.80 1inz s VAL 14 Cb -0.01 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 1inz s VAL 14 CO 0.26 0.02 -0.13 -1.00 0.00 0.00 0.00 175.10 174.25 1inz s HIS 15 N -1.65 2.33 -0.31 5.22 3.76 -1.26 -5.11 115.29 118.27 1inz s HIS 15 Ca 0.57 -0.46 -0.11 0.00 -0.15 0.00 0.00 55.06 54.91 1inz s HIS 15 Cb -0.22 -1.24 0.19 0.00 1.11 0.00 0.00 32.58 32.42 1inz s HIS 15 CO 0.28 0.61 1.09 1.21 -0.85 0.00 0.00 174.74 177.07 1inz s ASN 16 N -3.57 -0.21 1.09 1.40 2.47 -1.26 -5.16 114.94 109.70 1inz s ASN 16 Ca 0.31 -0.08 -0.19 0.00 0.42 0.00 0.00 52.86 53.32 1inz s ASN 16 Cb 0.00 0.42 0.08 0.00 -1.45 0.00 0.00 41.25 40.30 1inz s ASN 16 CO 0.16 -0.03 -0.15 0.00 -3.72 0.00 0.00 177.10 173.36 1inz n TYR 17 N 3.88 -1.59 0.00 0.43 4.11 -1.26 -3.44 117.16 119.28 1inz n TYR 17 Ca 0.06 0.17 0.00 0.00 -0.00 0.00 0.00 57.90 58.13 1inz n TYR 17 Cb 0.63 -1.50 0.00 0.00 -0.00 0.00 0.00 39.34 38.47 1inz n TYR 17 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1inz n SER 18 N -0.93 0.00 -2.76 9.48 7.64 -1.26 -4.74 113.62 121.05 1inz n SER 18 Ca 0.01 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.73 1inz n SER 18 Cb 0.59 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.79 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 -2.77 0.23 1.43 1.02 -1.22 -4.85 120.64 114.48 1inz n GLU 19 Ca 0.00 0.56 -0.14 0.00 -0.02 0.00 0.00 57.16 57.56 1inz n GLU 19 Cb 0.00 -5.20 -0.07 0.00 -0.02 0.00 0.00 31.44 26.14 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 0.99 -0.60 -1.63 0.62 0.00 -1.91 -2.38 119.26 114.36 1inz h ALA 20 Ca -0.34 -0.19 0.47 0.00 0.00 0.00 0.00 54.91 54.85 1inz h ALA 20 Cb 1.24 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 1inz h ALA 20 CO 0.40 -0.67 1.21 1.05 0.00 0.00 0.00 179.25 181.25 1inz h GLU 21 N -0.93 0.00 0.03 0.00 4.11 -1.87 0.32 114.58 116.24 1inz h GLU 21 Ca -0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 1inz h GLU 21 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1inz h GLU 21 CO 0.10 0.00 -0.19 0.82 0.07 0.00 0.00 179.01 179.81 1inz h ILE 22 N 0.00 1.73 -0.98 -1.06 2.04 -1.88 -2.99 117.51 114.37 1inz h ILE 22 Ca 0.77 -2.37 0.24 0.00 1.00 0.00 0.00 64.86 64.50 1inz h ILE 22 Cb 3.18 3.33 -0.08 0.00 -0.74 0.00 0.00 36.82 42.51 1inz h ILE 22 CO -0.01 0.63 0.64 0.11 0.00 0.00 0.00 178.15 179.52 1inz h LYS 23 N -0.84 0.40 -0.04 2.37 1.79 0.12 -0.82 116.57 119.55 1inz h LYS 23 Ca -0.03 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 1inz h LYS 23 Cb 1.14 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1inz h LYS 23 CO 0.04 0.26 -0.12 0.28 -1.08 0.00 0.00 179.45 178.82 1inz h VAL 24 N 0.41 1.46 -0.45 0.50 2.07 -1.47 -2.17 116.25 116.59 1inz h VAL 24 Ca 0.54 -1.54 0.09 0.00 0.82 0.00 0.00 66.70 66.61 1inz h VAL 24 Cb 1.34 2.37 -0.09 0.00 -1.52 0.00 0.00 31.29 33.39 1inz h VAL 24 CO -0.24 0.42 -0.18 -0.09 0.02 0.00 0.00 177.57 177.51 1inz h ARG 25 N -0.40 -0.08 0.00 1.57 1.12 -1.01 0.31 114.38 115.90 1inz h ARG 25 Ca -0.00 0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 58.82 1inz h ARG 25 Cb 0.75 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.72 1inz h ARG 25 CO 0.03 -0.05 -0.26 0.93 -3.11 0.00 0.00 179.97 177.50 1inz h GLU 26 N -0.08 0.00 0.00 0.20 5.08 -1.45 -1.83 114.58 116.50 1inz h GLU 26 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1inz h GLU 26 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1inz h GLU 26 CO -0.51 0.26 0.00 0.00 -1.00 0.00 0.00 179.01 177.76 1inz h ALA 27 N 1.74 1.00 -2.26 3.43 0.00 0.18 -3.26 119.26 120.10 1inz h ALA 27 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1inz h ALA 27 Cb 0.49 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.86 1inz h ALA 27 CO 0.03 0.00 -0.64 0.25 0.00 0.00 0.00 179.25 178.90 1inz n THR 28 N -3.02 2.84 0.00 0.00 -2.24 0.13 -4.70 114.28 107.30 1inz n THR 28 Ca 0.02 -5.48 0.00 0.00 -2.27 0.00 0.00 64.05 56.33 1inz n THR 28 Cb 0.39 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 1inz n THR 28 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1inz n SER 29 N 0.04 0.00 -3.66 3.42 2.88 -1.23 -4.83 113.62 110.24 1inz n SER 29 Ca 0.31 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.71 1inz n SER 29 Cb 0.40 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.79 1inz n SER 29 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1inz s ASN 30 N -0.73 -0.34 -0.39 -3.46 2.20 -1.23 -5.04 114.94 105.94 1inz s ASN 30 Ca 0.00 0.18 0.10 0.00 -0.94 0.00 0.00 52.86 52.19 1inz s ASN 30 Cb 0.00 0.42 0.39 0.00 -2.00 0.00 0.00 41.25 40.06 1inz s ASN 30 CO 0.00 -0.59 1.32 0.47 -2.94 0.00 0.00 177.10 175.36 1inz n ASP 31 N 0.80 -1.65 -3.16 3.54 9.92 -1.26 -4.67 116.55 120.07 1inz n ASP 31 Ca -0.19 -2.49 -0.19 0.00 -0.53 0.00 0.00 54.79 51.38 1inz n ASP 31 Cb 0.58 0.90 0.17 0.00 -0.64 0.00 0.00 41.12 42.14 1inz n ASP 31 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1inz n PRO 32 N -0.55 -3.06 0.00 -0.24 -0.04 -1.26 -5.07 135.00 124.79 1inz n PRO 32 Ca -0.02 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 1inz n PRO 32 Cb 0.85 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.18 1inz n PRO 32 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1inz n TRP 33 N -4.39 0.00 -0.28 0.54 -0.00 -1.26 -5.04 117.44 107.02 1inz n TRP 33 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.59 1inz n TRP 33 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.69 1inz n TRP 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1inz n GLY 34 N 5.00 -0.18 0.28 5.87 0.00 -1.26 -4.95 105.19 109.96 1inz n GLY 34 Ca 0.00 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 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 4.31 -0.68 -3.53 1.61 0.13 -2.06 -3.42 132.00 128.36 1inz h PRO 35 Ca 0.00 0.05 -0.55 0.00 -0.87 0.00 0.00 66.00 64.63 1inz h PRO 35 Cb 0.00 0.15 -0.40 0.00 0.13 0.00 0.00 31.00 30.89 1inz h PRO 35 CO 0.00 -0.45 -0.76 -1.12 -0.23 0.00 0.00 178.00 175.43 1inz s SER 36 N -3.34 3.45 0.22 1.44 0.01 -1.26 -5.13 113.70 109.09 1inz s SER 36 Ca -0.10 -1.19 -0.13 0.00 1.31 0.00 0.00 55.95 55.83 1inz s SER 36 Cb 0.01 -0.71 -0.08 0.00 0.21 0.00 0.00 66.02 65.45 1inz s SER 36 CO 0.31 -0.36 0.60 -0.55 0.41 0.00 0.00 173.24 173.66 1inz s SER 37 N 1.76 6.75 -0.30 2.44 0.15 -1.26 -5.05 113.70 118.19 1inz s SER 37 Ca 0.04 1.09 -0.09 0.00 0.70 0.00 0.00 55.95 57.68 1inz s SER 37 Cb -0.17 -2.29 0.19 0.00 -1.71 0.00 0.00 66.02 62.03 1inz s SER 37 CO -0.17 -0.04 0.98 -0.44 1.20 0.00 0.00 173.24 174.77 1inz s SER 38 N -2.09 -0.59 0.00 5.45 0.01 -1.26 -5.05 113.70 110.17 1inz s SER 38 Ca 0.46 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.82 1inz s SER 38 Cb -0.13 1.39 0.00 0.00 0.21 0.00 0.00 66.02 67.49 1inz s SER 38 CO 0.20 -0.11 0.00 -0.11 0.41 0.00 0.00 173.24 173.63 1inz n LEU 39 N 5.19 0.04 0.13 2.44 7.94 -1.26 -4.82 117.00 126.68 1inz n LEU 39 Ca 0.07 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.83 1inz n LEU 39 Cb 0.57 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.44 1inz n LEU 39 CO -0.14 -0.10 0.81 0.24 -1.11 0.00 0.00 177.39 177.08 1inz h MET 40 N 0.00 -0.25 -0.46 1.96 2.86 -1.97 -1.41 114.93 115.67 1inz h MET 40 Ca 0.00 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.79 1inz h MET 40 Cb 0.02 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1inz h MET 40 CO 0.00 -0.17 0.46 0.66 1.06 0.00 0.00 176.91 178.93 1inz h SER 41 N -0.26 0.00 0.05 1.22 4.64 -1.97 -1.80 113.55 115.42 1inz h SER 41 Ca -0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1inz h SER 41 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1inz h SER 41 CO 0.04 0.00 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.65 1inz h GLU 42 N 0.00 -0.06 -0.97 4.77 4.39 -1.60 -2.37 114.58 118.73 1inz h GLU 42 Ca 0.22 0.00 0.19 0.00 0.34 0.00 0.00 59.36 60.11 1inz h GLU 42 Cb 1.14 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.71 1inz h GLU 42 CO -0.00 0.41 0.61 0.82 -1.16 0.00 0.00 179.01 179.69 1inz h ILE 43 N -0.97 0.72 0.18 3.13 2.04 -0.64 -0.84 117.51 121.13 1inz h ILE 43 Ca -0.01 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1inz h ILE 43 Cb 0.50 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1inz h ILE 43 CO 0.01 0.12 -0.09 0.00 0.00 0.00 0.00 178.15 178.19 1inz h ALA 44 N 1.62 -0.25 -0.18 1.87 0.00 -1.44 -2.39 119.26 118.49 1inz h ALA 44 Ca 0.53 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.29 1inz h ALA 44 Cb 0.96 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1inz h ALA 44 CO -0.29 -0.42 0.48 0.22 0.00 0.00 0.00 179.25 179.23 1inz h ASP 45 N -0.68 0.00 0.28 0.00 3.58 -0.72 0.34 116.42 119.22 1inz h ASP 45 Ca -0.03 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.09 1inz h ASP 45 Cb 0.48 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.57 1inz h ASP 45 CO 0.04 0.00 -1.48 -0.07 -2.88 0.00 0.00 179.24 174.85 1inz h LEU 46 N 0.00 0.83 -1.11 2.28 3.38 -0.72 -3.27 115.31 116.70 1inz h LEU 46 Ca 0.09 -0.89 0.25 0.00 0.09 0.00 0.00 57.88 57.42 1inz h LEU 46 Cb 1.04 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.40 1inz h LEU 46 CO -0.00 1.70 0.62 0.71 0.09 0.00 0.00 178.44 181.56 1inz h THR 47 N 0.14 0.53 -0.75 0.22 1.35 0.17 0.17 112.91 114.74 1inz h THR 47 Ca -0.26 -0.18 0.15 0.00 -0.55 0.00 0.00 66.41 65.58 1inz h THR 47 Cb 2.17 -0.04 -0.14 0.00 -1.73 0.00 0.00 68.15 68.40 1inz h THR 47 CO 0.27 0.10 -0.16 1.88 -0.25 0.00 0.00 175.52 177.36 1inz h TYR 48 N 0.53 -0.34 -1.03 4.73 0.05 -1.60 -3.28 116.97 116.03 1inz h TYR 48 Ca 0.63 0.07 -0.36 0.00 0.05 0.00 0.00 58.73 59.12 1inz h TYR 48 Cb 1.32 0.27 -0.05 0.00 1.01 0.00 0.00 36.73 39.28 1inz h TYR 48 CO -0.01 -0.31 0.91 -0.80 -1.05 0.00 0.00 178.16 176.91 1inz s ASN 49 N -5.23 5.26 0.00 3.88 0.01 0.61 -4.84 114.94 114.63 1inz s ASN 49 Ca -0.14 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 51.51 1inz s ASN 49 Cb 0.22 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.32 1inz s ASN 49 CO 0.75 -2.58 0.00 1.33 -1.51 0.00 0.00 177.10 175.09 1inz n VAL 50 N 7.66 0.00 0.24 1.60 0.24 -1.24 0.15 118.33 126.98 1inz n VAL 50 Ca 0.35 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.56 1inz n VAL 50 Cb 0.48 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.81 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 -0.90 3.34 2.07 -1.88 -2.64 116.25 116.24 1inz h VAL 51 Ca 0.00 -0.07 0.36 0.00 0.82 0.00 0.00 66.70 67.81 1inz h VAL 51 Cb 0.00 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.61 1inz h VAL 51 CO 0.00 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.01 1inz n ALA 52 N -2.36 0.86 0.30 1.67 0.00 0.39 -0.10 120.51 121.27 1inz n ALA 52 Ca -0.08 0.93 -0.15 0.00 0.00 0.00 0.00 53.44 54.14 1inz n ALA 52 Cb 0.24 -0.89 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.72 -0.58 0.00 3.57 -1.30 0.02 116.94 117.93 1inz h PHE 53 Ca 0.73 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 62.38 1inz h PHE 53 Cb 1.89 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 40.85 1inz h PHE 53 CO -0.08 -0.39 0.55 1.03 -2.23 0.00 0.00 178.31 177.19 1inz h SER 54 N -1.02 0.00 0.69 0.41 0.87 -0.14 0.33 113.55 114.69 1inz h SER 54 Ca -0.08 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.22 1inz h SER 54 Cb 0.66 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 1inz h SER 54 CO 0.13 0.00 -1.36 -0.33 -0.53 0.00 0.00 176.83 174.74 1inz h GLU 55 N 0.00 0.07 0.04 2.24 4.39 -0.90 -3.20 114.58 117.23 1inz h GLU 55 Ca 0.27 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1inz h GLU 55 Cb 1.37 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 1inz h GLU 55 CO -0.00 0.89 -0.02 0.82 -1.16 0.00 0.00 179.01 179.54 1inz h ILE 56 N 0.02 0.00 -1.07 3.13 2.04 0.16 -3.13 117.51 118.66 1inz h ILE 56 Ca -0.16 -0.11 0.36 0.00 1.00 0.00 0.00 64.86 65.95 1inz h ILE 56 Cb 1.91 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.85 1inz h ILE 56 CO 0.13 0.00 0.64 0.24 0.00 0.00 0.00 178.15 179.15 1inz h MET 57 N -0.17 0.22 0.29 2.37 2.86 -1.49 0.51 114.93 119.52 1inz h MET 57 Ca -0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1inz h MET 57 Cb 0.04 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1inz h MET 57 CO 0.01 0.15 -0.52 0.77 1.06 0.00 0.00 176.91 178.38 1inz h SER 58 N 0.23 -1.51 0.01 1.22 0.02 -1.62 0.14 113.55 112.04 1inz h SER 58 Ca 0.76 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.85 1inz h SER 58 Cb 1.95 0.53 -0.00 0.00 0.14 0.00 0.00 62.40 65.02 1inz h SER 58 CO -0.56 -0.61 -0.00 0.24 -1.14 0.00 0.00 176.83 174.76 1inz h MET 59 N -0.87 0.00 0.00 3.45 2.07 -0.87 -0.20 114.93 118.51 1inz h MET 59 Ca -0.03 0.00 -0.15 0.00 -2.07 0.00 0.00 59.70 57.45 1inz h MET 59 Cb 0.81 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.52 1inz h MET 59 CO -0.19 0.00 -0.70 0.82 1.07 0.00 0.00 176.91 177.91 1inz h ILE 60 N 0.00 1.33 0.00 -1.22 2.04 0.07 -3.03 117.51 116.70 1inz h ILE 60 Ca -0.00 -2.55 -0.22 0.00 1.00 0.00 0.00 64.86 63.10 1inz h ILE 60 Cb 0.01 2.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 1inz h ILE 60 CO 0.00 0.69 -1.10 -0.50 0.00 0.00 0.00 178.15 177.24 1inz h TRP 61 N 0.00 0.00 0.37 1.37 -0.00 0.91 -2.79 115.95 115.81 1inz h TRP 61 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.86 1inz h TRP 61 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.55 1inz h TRP 61 CO 0.00 0.95 -0.18 0.87 -0.00 0.00 0.00 178.44 180.09 1inz h LYS 62 N 0.00 -0.48 0.00 0.49 6.56 -1.48 -3.21 116.57 118.46 1inz h LYS 62 Ca -0.06 0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.54 1inz h LYS 62 Cb 1.78 0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 33.55 1inz h LYS 62 CO 0.11 -0.23 -0.09 0.00 -2.06 0.00 0.00 179.45 177.18 1inz h ARG 63 N -1.07 0.00 0.00 3.15 3.08 -1.69 -1.68 114.38 116.16 1inz h ARG 63 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1inz h ARG 63 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1inz h ARG 63 CO 0.08 0.09 0.00 -0.07 -1.07 0.00 0.00 179.97 179.01 1inz h LEU 64 N 0.00 0.00 -4.12 3.04 3.38 -1.49 -2.78 115.31 113.33 1inz h LEU 64 Ca -0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1inz h LEU 64 Cb 0.30 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.67 1inz h LEU 64 CO 0.01 0.00 -0.23 0.59 0.09 0.00 0.00 178.44 178.90 1inz n ASN 65 N -2.50 5.75 -3.12 -0.43 3.02 -0.63 -4.81 115.26 112.55 1inz n ASN 65 Ca 0.00 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.79 1inz n ASN 65 Cb 0.17 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 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 -0.68 -0.94 -0.94 6.41 9.92 -1.05 -5.06 116.55 124.21 1inz n ASP 66 Ca 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.74 1inz n ASP 66 Cb 0.75 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.23 1inz n ASP 66 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1inz n HIS 67 N -2.05 -0.53 0.00 1.24 8.25 -1.26 -5.01 115.22 115.85 1inz n HIS 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1inz n HIS 67 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1inz n HIS 67 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1inz n GLY 68 N 0.00 2.65 0.68 -1.41 0.00 -1.26 -1.49 105.19 104.36 1inz n GLY 68 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1inz n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1inz n LYS 69 N 14.00 2.73 -0.61 1.61 2.85 -1.26 -4.57 118.16 132.91 1inz n LYS 69 Ca 0.00 -2.52 -0.10 0.00 -1.05 0.00 0.00 58.31 54.64 1inz n LYS 69 Cb 0.00 -1.60 0.04 0.00 -0.65 0.00 0.00 35.03 32.82 1inz n LYS 69 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1inz n ASN 70 N -0.34 4.89 0.01 -5.58 3.02 -0.55 -4.41 115.26 112.29 1inz n ASN 70 Ca 0.17 -2.71 0.03 0.00 -0.03 0.00 0.00 54.58 52.04 1inz n ASN 70 Cb 0.70 -0.88 0.13 0.00 -0.61 0.00 0.00 39.78 39.12 1inz n ASN 70 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1inz n TRP 71 N 0.40 0.05 -0.24 3.10 4.27 -1.26 -2.93 117.44 120.83 1inz n TRP 71 Ca 0.20 0.02 0.05 0.00 -3.89 0.00 0.00 57.50 53.88 1inz n TRP 71 Cb 0.69 -0.54 0.17 0.00 -1.36 0.00 0.00 31.31 30.27 1inz n TRP 71 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1inz h ARG 72 N 0.00 0.22 -0.17 -2.67 3.08 -1.96 -0.52 114.38 112.37 1inz h ARG 72 Ca 0.00 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1inz h ARG 72 Cb 0.09 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1inz h ARG 72 CO 0.00 0.15 0.06 0.45 -1.07 0.00 0.00 179.97 179.56 1inz h HIS 73 N 0.23 0.11 -0.85 3.04 3.86 -1.85 -2.33 115.15 117.37 1inz h HIS 73 Ca 0.41 0.01 0.21 0.00 -1.16 0.00 0.00 60.37 59.84 1inz h HIS 73 Cb 0.70 -0.02 -0.13 0.00 1.06 0.00 0.00 27.41 29.01 1inz h HIS 73 CO -0.29 0.06 0.23 0.28 0.86 0.00 0.00 177.93 179.07 1inz h VAL 74 N 0.14 0.38 0.18 2.45 2.07 -1.12 0.31 116.25 120.65 1inz h VAL 74 Ca 0.07 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1inz h VAL 74 Cb 0.04 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 1inz h VAL 74 CO -0.07 0.04 -0.28 0.22 0.02 0.00 0.00 177.57 177.51 1inz h TYR 75 N 0.24 -0.74 0.00 1.57 3.20 -1.10 0.91 116.97 121.05 1inz h TYR 75 Ca 0.52 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.40 1inz h TYR 75 Cb 1.00 0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.57 1inz h TYR 75 CO -0.26 -0.39 0.00 1.63 -1.64 0.00 0.00 178.16 177.50 1inz n LYS 76 N -5.39 0.05 0.00 1.82 5.02 -0.33 -2.84 118.16 116.48 1inz n LYS 76 Ca -0.07 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1inz n LYS 76 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1inz n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1inz n ALA 77 N -1.46 -0.02 0.18 7.82 0.00 0.93 -3.00 120.51 124.96 1inz n ALA 77 Ca 0.05 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.66 1inz n ALA 77 Cb 0.18 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.42 1inz n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1inz h MET 78 N 0.00 0.00 0.40 0.00 -0.00 -1.43 -2.69 114.93 111.21 1inz h MET 78 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1inz h MET 78 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1inz h MET 78 CO 0.00 0.00 -0.19 1.15 -0.00 0.00 0.00 176.91 177.87 1inz h THR 79 N 0.00 0.00 -0.74 -0.10 2.02 -1.65 -2.00 112.91 110.43 1inz h THR 79 Ca 0.11 -0.09 0.08 0.00 0.77 0.00 0.00 66.41 67.28 1inz h THR 79 Cb 0.54 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.84 1inz h THR 79 CO -0.00 0.00 -0.54 0.25 0.37 0.00 0.00 175.52 175.60 1inz h LEU 80 N -0.63 -1.91 -0.91 2.58 5.85 -1.39 0.60 115.31 119.50 1inz h LEU 80 Ca -0.05 0.29 0.25 0.00 0.84 0.00 0.00 57.88 59.20 1inz h LEU 80 Cb 0.41 0.84 -0.16 0.00 0.37 0.00 0.00 40.66 42.12 1inz h LEU 80 CO 0.09 -0.31 0.09 -0.03 -0.34 0.00 0.00 178.44 177.94 1inz h MET 81 N -0.16 0.08 -0.20 1.25 4.05 -1.50 0.50 114.93 118.95 1inz h MET 81 Ca 0.15 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.58 1inz h MET 81 Cb 0.51 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 1inz h MET 81 CO -0.79 0.05 0.08 1.49 0.23 0.00 0.00 176.91 177.97 1inz h GLU 82 N 0.08 0.18 -0.89 0.39 4.81 0.96 -0.84 114.58 119.26 1inz h GLU 82 Ca 0.56 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.91 1inz h GLU 82 Cb 1.12 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.40 1inz h GLU 82 CO -0.80 0.12 0.57 -0.92 -0.73 0.00 0.00 179.01 177.25 1inz h TYR 83 N 0.18 0.85 0.00 0.92 5.03 0.10 0.60 116.97 124.65 1inz h TYR 83 Ca 0.08 0.02 -0.13 0.00 2.58 0.00 0.00 58.73 61.29 1inz h TYR 83 Cb 0.03 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.03 1inz h TYR 83 CO -0.10 0.33 -0.62 -0.07 -1.32 0.00 0.00 178.16 176.38 1inz h LEU 84 N 0.73 0.00 -1.17 2.82 3.38 -0.42 -2.56 115.31 118.10 1inz h LEU 84 Ca 0.44 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.34 1inz h LEU 84 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1inz h LEU 84 CO -0.20 0.62 -0.31 0.40 0.09 0.00 0.00 178.44 179.04 1inz h ILE 85 N 0.00 0.83 0.00 1.22 2.04 0.48 0.14 117.51 122.22 1inz h ILE 85 Ca -0.01 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.59 1inz h ILE 85 Cb 1.21 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1inz h ILE 85 CO 0.08 0.30 -0.06 0.11 0.00 0.00 0.00 178.15 178.59 1inz h LYS 86 N 0.00 0.00 0.00 2.37 1.57 -1.29 -3.43 116.57 115.79 1inz h LYS 86 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1inz h LYS 86 Cb 0.75 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1inz h LYS 86 CO 0.04 0.00 -1.66 -2.37 -0.57 0.00 0.00 179.45 174.89 1inz n THR 87 N -2.54 0.63 0.00 -0.16 5.66 -0.98 -4.58 114.28 112.32 1inz n THR 87 Ca -0.01 -0.61 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 1inz n THR 87 Cb 0.03 -0.33 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 1inz n THR 87 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1inz n GLY 88 N 1.34 -3.26 3.64 1.09 0.00 0.34 -4.76 105.19 103.58 1inz n GLY 88 Ca -0.08 0.45 0.03 0.00 0.00 0.00 0.00 46.02 46.42 1inz n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1inz s SER 89 N -2.62 -0.01 0.20 1.61 1.04 -0.34 -4.08 113.70 109.50 1inz s SER 89 Ca 0.00 -0.04 0.23 0.00 0.48 0.00 0.00 55.95 56.61 1inz s SER 89 Cb 0.00 0.05 0.91 0.00 0.10 0.00 0.00 66.02 67.08 1inz s SER 89 CO 0.00 -0.09 1.69 -0.62 0.98 0.00 0.00 173.24 175.20 1inz n GLU 90 N -0.57 0.17 0.11 4.02 -0.58 -1.26 -2.94 120.64 119.59 1inz n GLU 90 Ca -0.07 0.36 -0.23 0.00 -0.42 0.00 0.00 57.16 56.80 1inz n GLU 90 Cb 0.63 -1.80 -0.15 0.00 -0.57 0.00 0.00 31.44 29.55 1inz n GLU 90 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1inz h ARG 91 N 0.00 0.48 -0.58 3.49 2.47 -1.94 -2.91 114.38 115.40 1inz h ARG 91 Ca 0.00 -0.78 0.10 0.00 -1.26 0.00 0.00 59.98 58.04 1inz h ARG 91 Cb 0.40 0.28 -0.03 0.00 -1.65 0.00 0.00 29.97 28.96 1inz h ARG 91 CO 0.00 1.37 0.39 0.28 0.56 0.00 0.00 179.97 182.57 1inz h VAL 92 N 0.01 0.88 0.01 2.04 2.07 -1.81 -1.23 116.25 118.22 1inz h VAL 92 Ca -0.21 -0.12 -0.25 0.00 0.82 0.00 0.00 66.70 66.94 1inz h VAL 92 Cb 1.95 0.49 0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1inz h VAL 92 CO 0.23 0.07 -0.97 -1.28 0.02 0.00 0.00 177.57 175.64 1inz h SER 93 N 0.36 0.83 0.44 0.57 0.87 -1.64 -2.94 113.55 112.04 1inz h SER 93 Ca 0.27 -0.75 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 1inz h SER 93 Cb 0.58 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1inz h SER 93 CO -0.07 1.48 -0.34 1.56 -0.53 0.00 0.00 176.83 178.93 1inz h GLN 94 N 0.27 -0.75 -0.97 2.24 1.08 -1.05 -1.78 115.11 114.15 1inz h GLN 94 Ca -0.13 0.05 0.16 0.00 -1.45 0.00 0.00 58.65 57.29 1inz h GLN 94 Cb 1.64 0.17 -0.09 0.00 -0.05 0.00 0.00 27.48 29.15 1inz h GLN 94 CO 0.19 -0.50 0.61 0.37 -0.95 0.00 0.00 178.83 178.55 1inz h GLN 95 N -0.77 0.75 -0.72 1.46 4.15 -1.44 0.49 115.11 119.02 1inz h GLN 95 Ca -0.04 -0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.43 1inz h GLN 95 Cb 0.67 -0.17 -0.07 0.00 0.21 0.00 0.00 27.48 28.12 1inz h GLN 95 CO -0.01 0.50 0.37 0.00 -1.93 0.00 0.00 178.83 177.76 1inz h LYS 97 N 0.62 0.65 0.00 0.00 1.57 -0.42 1.06 116.57 120.04 1inz h LYS 97 Ca 0.36 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1inz h LYS 97 Cb 0.37 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1inz h LYS 97 CO -0.27 0.72 0.00 0.39 -0.57 0.00 0.00 179.45 179.72 1inz n GLU 98 N -4.21 0.14 -1.29 3.15 1.02 -0.05 -3.53 120.64 115.88 1inz n GLU 98 Ca 0.01 0.16 0.04 0.00 -0.02 0.00 0.00 57.16 57.36 1inz n GLU 98 Cb 0.31 -1.68 0.08 0.00 -0.02 0.00 0.00 31.44 30.13 1inz n GLU 98 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1inz n ASN 99 N -1.93 1.27 0.28 1.62 4.13 0.10 -4.82 115.26 115.90 1inz n ASN 99 Ca 0.06 -2.57 0.14 0.00 1.68 0.00 0.00 54.58 53.88 1inz n ASN 99 Cb 0.36 -0.37 0.80 0.00 -1.54 0.00 0.00 39.78 39.03 1inz n ASN 99 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1inz h MET 100 N 1.06 0.00 0.00 3.52 -0.00 0.11 -1.26 114.93 118.36 1inz h MET 100 Ca -0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.52 1inz h MET 100 Cb 1.62 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.22 1inz h MET 100 CO 0.08 0.07 -0.11 1.88 -0.00 0.00 0.00 176.91 178.83 1inz h TYR 101 N 0.00 0.00 0.14 -0.10 -1.99 -1.88 -1.85 116.97 111.30 1inz h TYR 101 Ca -0.00 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.45 1inz h TYR 101 Cb 0.21 0.00 0.03 0.00 2.00 0.00 0.00 36.73 38.97 1inz h TYR 101 CO 0.00 0.11 -1.20 0.00 -0.00 0.00 0.00 178.16 177.07 1inz h ALA 102 N 1.89 -0.05 0.00 3.88 0.00 -1.60 -1.32 119.26 122.06 1inz h ALA 102 Ca -0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 54.91 54.05 1inz h ALA 102 Cb 0.37 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1inz h ALA 102 CO 0.01 0.62 -0.46 0.28 0.00 0.00 0.00 179.25 179.70 1inz h VAL 103 N 0.15 1.10 0.00 0.00 2.07 -1.51 -3.13 116.25 114.92 1inz h VAL 103 Ca -0.19 -1.74 -0.25 0.00 0.82 0.00 0.00 66.70 65.34 1inz h VAL 103 Cb 1.89 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 33.63 1inz h VAL 103 CO 0.23 0.46 -1.42 1.56 0.02 0.00 0.00 177.57 178.41 1inz h GLN 104 N 0.00 0.00 0.00 1.57 1.08 -1.39 -3.31 115.11 113.06 1inz h GLN 104 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1inz h GLN 104 Cb 0.97 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1inz h GLN 104 CO 0.06 0.62 0.12 0.00 -0.95 0.00 0.00 178.83 178.67 1inz h THR 105 N 0.00 0.00 -0.41 -0.54 1.03 -1.17 -1.26 112.91 110.55 1inz h THR 105 Ca -0.18 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 66.08 1inz h THR 105 Cb 1.87 0.83 -0.01 0.00 -1.07 0.00 0.00 68.15 69.77 1inz h THR 105 CO 0.09 0.00 -0.28 -0.07 -0.01 0.00 0.00 175.52 175.25 1inz h LEU 106 N 0.00 0.96 -1.90 0.00 3.38 -1.66 -1.94 115.31 114.15 1inz h LEU 106 Ca 0.00 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.55 1inz h LEU 106 Cb 0.23 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1inz h LEU 106 CO 0.00 1.18 0.38 0.50 0.09 0.00 0.00 178.44 180.59 1inz h LYS 107 N 0.74 0.00 0.00 1.13 3.64 -1.37 0.38 116.57 121.09 1inz h LYS 107 Ca 0.08 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.26 1inz h LYS 107 Cb 0.86 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.64 1inz h LYS 107 CO 0.08 0.00 -2.06 -0.25 -2.27 0.00 0.00 179.45 174.95 1inz n ASP 108 N -2.96 0.77 -4.64 4.20 8.00 -1.01 -4.91 116.55 116.01 1inz n ASP 108 Ca -0.01 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1inz n ASP 108 Cb 0.44 1.25 -0.03 0.00 -0.02 0.00 0.00 41.12 42.76 1inz n ASP 108 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1inz s PHE 109 N -2.72 1.73 -0.25 1.24 5.36 0.12 -4.95 117.98 118.51 1inz s PHE 109 Ca -0.08 0.27 -0.21 0.00 -0.96 0.00 0.00 56.93 55.95 1inz s PHE 109 Cb 0.07 -4.02 0.07 0.00 -0.34 0.00 0.00 43.02 38.80 1inz s PHE 109 CO 0.73 -3.87 0.66 1.14 -1.46 0.00 0.00 175.22 172.41 1inz s GLN 110 N 4.84 0.74 -0.07 10.12 -2.07 -1.26 -4.90 119.66 127.07 1inz s GLN 110 Ca 0.81 0.98 0.04 0.00 -1.82 0.00 0.00 55.36 55.37 1inz s GLN 110 Cb -0.32 0.31 -0.02 0.00 -1.09 0.00 0.00 33.01 31.89 1inz s GLN 110 CO 0.33 -0.11 -0.17 -0.47 -1.32 0.00 0.00 175.29 173.56 1inz s TYR 111 N 0.68 2.65 0.00 9.60 6.14 -1.26 -4.98 117.35 130.18 1inz s TYR 111 Ca -0.03 -0.38 0.00 0.00 0.64 0.00 0.00 57.07 57.31 1inz s TYR 111 Cb -0.05 -1.66 0.00 0.00 0.42 0.00 0.00 41.96 40.67 1inz s TYR 111 CO -0.04 0.02 0.73 0.28 0.64 0.00 0.00 175.55 177.17 1inz n VAL 112 N 2.68 0.00 -4.36 3.14 0.31 -1.26 -4.27 118.33 114.57 1inz n VAL 112 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1inz n VAL 112 Cb 0.52 0.35 0.00 0.00 -0.91 0.00 0.00 33.84 33.81 1inz n VAL 112 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1inz n ASP 113 N 0.00 -5.04 -0.19 4.52 9.92 -1.26 -3.25 116.55 121.25 1inz n ASP 113 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1inz n ASP 113 Cb 0.60 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.18 1inz n ASP 113 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1inz h ARG 114 N 0.00 0.18 -2.82 -1.24 0.11 -2.05 -3.42 114.38 105.14 1inz h ARG 114 Ca 0.00 -0.01 -0.14 0.00 0.10 0.00 0.00 59.98 59.92 1inz h ARG 114 Cb 0.00 -0.04 -0.27 0.00 1.11 0.00 0.00 29.97 30.77 1inz h ARG 114 CO 0.00 0.12 -0.35 0.34 0.10 0.00 0.00 179.97 180.18 1inz s ASP 115 N -5.27 -0.40 0.00 0.08 -1.08 -1.22 -5.13 116.67 103.64 1inz s ASP 115 Ca -0.13 0.73 0.00 0.00 -0.52 0.00 0.00 52.55 52.63 1inz s ASP 115 Cb 0.18 0.65 0.00 0.00 -1.46 0.00 0.00 42.92 42.29 1inz s ASP 115 CO 0.73 -0.17 0.00 0.61 0.52 0.00 0.00 175.17 176.87 1inz n GLY 116 N 3.88 -0.81 3.08 2.66 0.00 -1.20 -5.05 105.19 107.74 1inz n GLY 116 Ca -0.21 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 1inz n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1inz s LYS 117 N -0.48 0.59 0.38 1.61 -2.85 -1.26 -5.04 119.74 112.69 1inz s LYS 117 Ca 0.00 -1.14 -0.24 0.00 -1.00 0.00 0.00 55.97 53.60 1inz s LYS 117 Cb 0.00 0.14 -0.13 0.00 -2.06 0.00 0.00 37.83 35.77 1inz s LYS 117 CO 0.00 -0.09 0.57 -0.25 0.10 0.00 0.00 175.35 175.68 1inz n ASP 118 N 0.33 -0.78 -0.10 0.03 8.00 -1.26 -4.77 116.55 118.00 1inz n ASP 118 Ca -0.15 0.96 -0.24 0.00 0.71 0.00 0.00 54.79 56.07 1inz n ASP 118 Cb 0.60 -1.10 -0.11 0.00 -0.02 0.00 0.00 41.12 40.48 1inz n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1inz n GLN 119 N 0.70 0.59 -3.64 -1.24 1.13 -1.26 -4.85 117.38 108.82 1inz n GLN 119 Ca 0.12 0.46 -0.29 0.00 -1.94 0.00 0.00 57.00 55.35 1inz n GLN 119 Cb 0.37 -1.68 -0.15 0.00 0.11 0.00 0.00 30.24 28.89 1inz n GLN 119 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1inz s GLY 120 N -5.13 0.80 -0.00 1.08 0.00 -1.26 -4.99 107.32 97.82 1inz s GLY 120 Ca -0.31 -1.40 -0.19 0.00 0.00 0.00 0.00 44.72 42.82 1inz s GLY 120 CO 0.58 1.83 0.96 -0.24 0.00 0.00 0.00 173.10 176.23 1inz h VAL 121 N 6.44 1.39 -1.65 1.40 3.04 -2.00 -3.29 116.25 121.57 1inz h VAL 121 Ca -0.16 -2.61 0.48 0.00 -1.01 0.00 0.00 66.70 63.39 1inz h VAL 121 Cb 1.01 3.11 -0.07 0.00 -2.01 0.00 0.00 31.29 33.33 1inz h VAL 121 CO 0.46 0.76 1.19 0.59 -1.01 0.00 0.00 177.57 179.56 1inz n ASN 122 N -3.91 0.00 0.13 3.17 3.02 -1.26 -0.31 115.26 116.10 1inz n ASN 122 Ca -0.15 0.84 -0.06 0.00 -0.03 0.00 0.00 54.58 55.17 1inz n ASN 122 Cb 0.97 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.69 1inz n ASN 122 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1inz h VAL 123 N 0.00 0.00 -0.92 2.41 2.07 -1.96 -0.64 116.25 117.21 1inz h VAL 123 Ca 0.79 -0.50 0.26 0.00 0.82 0.00 0.00 66.70 68.07 1inz h VAL 123 Cb 3.16 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 32.78 1inz h VAL 123 CO -0.02 0.00 0.28 0.03 0.02 0.00 0.00 177.57 177.88 1inz h ARG 124 N -0.89 0.18 -0.01 1.57 3.08 -0.85 0.42 114.38 117.89 1inz h ARG 124 Ca -0.04 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.82 1inz h ARG 124 Cb 0.30 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1inz h ARG 124 CO 0.07 0.12 -0.82 1.05 -1.07 0.00 0.00 179.97 179.32 1inz h GLU 125 N 0.19 0.16 0.26 0.04 4.11 -1.54 -3.05 114.58 114.76 1inz h GLU 125 Ca 0.60 -0.16 -0.01 0.00 0.07 0.00 0.00 59.36 59.85 1inz h GLU 125 Cb 1.27 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1inz h GLU 125 CO -0.69 0.89 -0.13 -0.22 0.07 0.00 0.00 179.01 178.94 1inz h LYS 126 N 0.10 -0.34 -0.88 1.06 1.63 0.14 -2.05 116.57 116.23 1inz h LYS 126 Ca -0.03 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.83 1inz h LYS 126 Cb 1.42 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 33.08 1inz h LYS 126 CO 0.12 -0.15 0.56 0.00 -3.45 0.00 0.00 179.45 176.53 1inz h ALA 127 N 0.25 1.17 -0.84 5.00 0.00 -1.39 -1.79 119.26 121.66 1inz h ALA 127 Ca -0.04 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1inz h ALA 127 Cb 0.35 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1inz h ALA 127 CO 0.06 0.38 0.56 -0.22 0.00 0.00 0.00 179.25 180.03 1inz h LYS 128 N 1.07 1.08 -0.81 0.00 3.64 -1.39 -2.25 116.57 117.91 1inz h LYS 128 Ca 0.36 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1inz h LYS 128 Cb 0.05 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.59 1inz h LYS 128 CO -0.13 0.72 0.39 1.96 -2.27 0.00 0.00 179.45 180.12 1inz h GLN 129 N 1.12 1.16 -0.90 1.90 1.08 -0.59 -0.59 115.11 118.29 1inz h GLN 129 Ca 0.32 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1inz h GLN 129 Cb -0.09 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.09 1inz h GLN 129 CO -0.08 0.89 0.52 1.25 -0.95 0.00 0.00 178.83 180.47 1inz h LEU 130 N 1.15 1.10 -0.32 1.46 6.46 -1.19 -2.10 115.31 121.86 1inz h LEU 130 Ca 0.28 -0.08 -0.09 0.00 -0.12 0.00 0.00 57.88 57.87 1inz h LEU 130 Cb 0.11 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 1inz h LEU 130 CO -0.04 0.86 -0.43 0.58 -0.62 0.00 0.00 178.44 178.79 1inz h VAL 131 N 1.25 0.81 0.12 1.05 2.07 -1.28 -3.01 116.25 117.25 1inz h VAL 131 Ca 0.32 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 1inz h VAL 131 Cb -0.02 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1inz h VAL 131 CO -0.06 0.42 -0.06 0.00 0.02 0.00 0.00 177.57 177.90 1inz h ALA 132 N 1.57 -0.16 0.00 1.67 0.00 -0.49 -1.43 119.26 120.42 1inz h ALA 132 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1inz h ALA 132 Cb 1.21 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1inz h ALA 132 CO 0.06 -0.32 -0.07 1.37 0.00 0.00 0.00 179.25 180.29 1inz h LEU 133 N -0.71 0.00 0.00 0.00 8.10 -1.50 -2.47 115.31 118.73 1inz h LEU 133 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1inz h LEU 133 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 1inz h LEU 133 CO 0.03 0.07 -0.01 -0.07 -4.11 0.00 0.00 178.44 174.34 1inz h LEU 134 N 0.00 0.00 -4.38 0.17 3.38 -1.48 -3.38 115.31 109.62 1inz h LEU 134 Ca -0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 1inz h LEU 134 Cb 0.37 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.96 1inz h LEU 134 CO 0.01 0.04 0.24 -1.14 0.09 0.00 0.00 178.44 177.68 1inz n ARG 135 N -2.28 2.29 0.14 1.13 0.00 -0.54 -4.43 116.66 112.96 1inz n ARG 135 Ca -0.00 -2.04 0.12 0.00 -0.00 0.00 0.00 57.85 55.93 1inz n ARG 135 Cb 0.01 -2.09 0.26 0.00 0.00 0.00 0.00 32.46 30.64 1inz n ARG 135 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1inz h ASP 136 N 2.93 0.00 -1.86 6.15 3.58 -1.62 -3.46 116.42 122.14 1inz h ASP 136 Ca 0.35 -0.03 -0.66 0.00 0.42 0.00 0.00 57.03 57.11 1inz h ASP 136 Cb 0.88 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.95 1inz h ASP 136 CO 0.74 0.02 1.04 -0.62 -2.88 0.00 0.00 179.24 177.54 1inz n GLU 137 N -2.55 1.84 -2.15 0.28 -0.58 -1.26 -4.76 120.64 111.47 1inz n GLU 137 Ca 0.04 0.67 -0.01 0.00 -0.42 0.00 0.00 57.16 57.44 1inz n GLU 137 Cb 0.47 -2.47 0.07 0.00 -0.57 0.00 0.00 31.44 28.94 1inz n GLU 137 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1inz n ASP 138 N 6.30 -0.82 -4.28 1.62 5.75 -1.26 -5.06 116.55 118.80 1inz n ASP 138 Ca 0.24 -1.66 -0.43 0.00 -0.01 0.00 0.00 54.79 52.93 1inz n ASP 138 Cb 0.24 0.41 -0.02 0.00 -1.03 0.00 0.00 41.12 40.72 1inz n ASP 138 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1inz s ARG 139 N 0.07 3.97 -0.01 0.11 3.52 -1.26 -4.67 118.95 120.67 1inz s ARG 139 Ca 0.05 -3.22 0.02 0.00 -0.13 0.00 0.00 55.73 52.46 1inz s ARG 139 Cb 0.23 -4.41 0.03 0.00 -1.56 0.00 0.00 34.95 29.25 1inz s ARG 139 CO -0.07 -1.25 0.80 -0.11 -0.81 0.00 0.00 175.30 173.87 1inz n LEU 140 N 2.64 0.80 -4.60 -0.88 7.94 -1.26 -5.03 117.00 116.61 1inz n LEU 140 Ca 0.23 -1.07 -0.43 0.00 -1.11 0.00 0.00 56.01 53.63 1inz n LEU 140 Cb 0.39 -0.05 -0.03 0.00 0.53 0.00 0.00 43.42 44.26 1inz n LEU 140 CO 0.44 0.26 1.54 -0.13 -1.11 0.00 0.00 177.39 178.39 1inz s ARG 141 N -0.59 3.32 -0.30 1.96 0.52 -1.26 -4.83 118.95 117.76 1inz s ARG 141 Ca 0.04 1.42 0.10 0.00 -0.52 0.00 0.00 55.73 56.77 1inz s ARG 141 Cb 0.03 -4.20 0.55 0.00 0.52 0.00 0.00 34.95 31.85 1inz s ARG 141 CO 0.00 -1.88 1.55 0.39 0.02 0.00 0.00 175.30 175.38 1inz n GLU 142 N 8.45 2.24 -2.33 3.54 -0.58 -1.26 -5.00 120.64 125.70 1inz n GLU 142 Ca 0.23 -3.09 -0.03 0.00 -0.42 0.00 0.00 57.16 53.85 1inz n GLU 142 Cb 0.47 -1.90 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 1inz n GLU 142 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1inz n GLU 143 N -0.95 0.18 -0.10 3.49 1.02 -1.26 -5.36 120.64 117.66 1inz n GLU 143 Ca 0.35 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1inz n GLU 143 Cb 1.13 0.38 0.00 0.00 -0.02 0.00 0.00 31.44 32.93 1inz n GLU 143 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18