#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 -0.36 0.18 1.61 0.01 -1.26 -5.07 113.70 108.80 1inz s SER -2 Ca 0.00 0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1inz s SER -2 Cb 0.00 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1inz s SER -2 CO 0.00 -0.42 0.00 -1.20 0.41 0.00 0.00 173.24 172.03 1inz n SER -1 N 1.52 -0.52 0.00 2.44 7.64 -1.26 -5.09 113.62 118.35 1inz n SER -1 Ca -0.19 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1inz n SER -1 Cb 0.56 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 64.40 1inz n SER -1 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1inz n ARG 0 N -3.02 0.00 -4.19 1.43 1.74 -1.26 -5.14 116.66 106.23 1inz n ARG 0 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 1inz n ARG 0 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 1inz n ARG 0 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1inz s MET 1 N -0.11 2.20 -0.01 5.56 0.23 -1.26 -5.13 119.30 120.77 1inz s MET 1 Ca 0.00 -1.84 -0.05 0.00 -1.03 0.00 0.00 55.69 52.76 1inz s MET 1 Cb 0.00 -1.96 0.02 0.00 -1.53 0.00 0.00 34.83 31.36 1inz s MET 1 CO 0.00 -0.08 0.24 0.43 -2.03 0.00 0.00 175.02 173.59 1inz n SER 2 N -1.19 -0.19 -4.49 -1.18 7.64 -1.26 -5.07 113.62 107.89 1inz n SER 2 Ca -0.02 -1.01 -0.44 0.00 1.01 0.00 0.00 58.87 58.41 1inz n SER 2 Cb 0.64 0.29 -0.08 0.00 -1.01 0.00 0.00 64.21 64.05 1inz n SER 2 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1inz n THR 3 N -0.18 0.05 -3.22 0.44 -1.04 -1.26 -4.85 114.28 104.23 1inz n THR 3 Ca 0.01 -0.35 -0.02 0.00 -2.04 0.00 0.00 64.05 61.65 1inz n THR 3 Cb 0.10 -1.68 -0.03 0.00 -1.82 0.00 0.00 70.33 66.90 1inz n THR 3 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1inz s SER 4 N 9.23 -0.74 0.53 8.00 1.04 -1.26 -5.16 113.70 125.34 1inz s SER 4 Ca 1.13 0.10 0.08 0.00 0.48 0.00 0.00 55.95 57.73 1inz s SER 4 Cb -0.76 1.65 0.05 0.00 0.10 0.00 0.00 66.02 67.06 1inz s SER 4 CO 0.42 -0.31 0.56 -0.94 0.98 0.00 0.00 173.24 173.95 1inz s SER 5 N 2.71 4.92 0.08 7.02 1.04 -1.26 -5.11 113.70 123.09 1inz s SER 5 Ca 0.12 -0.98 -0.10 0.00 0.48 0.00 0.00 55.95 55.47 1inz s SER 5 Cb -0.12 0.18 -0.06 0.00 0.10 0.00 0.00 66.02 66.12 1inz s SER 5 CO -0.26 -1.11 0.39 -0.76 0.98 0.00 0.00 173.24 172.48 1inz s LEU 6 N -4.41 4.35 -1.04 2.42 1.43 -1.26 -5.02 118.68 115.15 1inz s LEU 6 Ca 0.48 0.77 -0.15 0.00 -1.03 0.00 0.00 54.13 54.20 1inz s LEU 6 Cb -0.04 -2.98 0.18 0.00 0.03 0.00 0.00 46.19 43.38 1inz s LEU 6 CO 0.29 0.17 1.19 -0.13 0.23 0.00 0.00 176.35 178.11 1inz s ARG 7 N -1.93 3.86 -0.03 1.70 3.00 -1.26 -4.66 118.95 119.63 1inz s ARG 7 Ca 0.33 -2.34 0.05 0.00 0.00 0.00 0.00 55.73 53.77 1inz s ARG 7 Cb -0.14 -4.86 -0.08 0.00 0.00 0.00 0.00 34.95 29.88 1inz s ARG 7 CO 0.18 -1.64 0.07 -2.13 0.00 0.00 0.00 175.30 171.79 1inz n ARG 8 N 5.38 1.63 -3.06 3.54 0.63 -1.26 -4.91 116.66 118.61 1inz n ARG 8 Ca 0.27 -0.03 -0.43 0.00 -0.92 0.00 0.00 57.85 56.74 1inz n ARG 8 Cb 0.45 -1.13 -0.06 0.00 0.45 0.00 0.00 32.46 32.17 1inz n ARG 8 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1inz s GLN 9 N -2.26 3.18 0.00 -0.14 0.74 -1.26 -5.02 119.66 114.90 1inz s GLN 9 Ca -0.02 -0.73 0.00 0.00 0.05 0.00 0.00 55.36 54.65 1inz s GLN 9 Cb 0.03 -4.10 0.00 0.00 1.10 0.00 0.00 33.01 30.04 1inz s GLN 9 CO 0.22 -1.32 0.00 -1.33 -0.55 0.00 0.00 175.29 172.31 1inz n MET 10 N 6.58 3.90 -1.21 1.67 2.81 -1.26 -5.06 117.12 124.54 1inz n MET 10 Ca -0.04 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.49 1inz n MET 10 Cb 0.46 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 33.05 1inz n MET 10 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1inz n LYS 11 N 0.00 0.25 -3.92 0.03 2.85 -1.26 -5.01 118.16 111.10 1inz n LYS 11 Ca 0.00 0.13 -0.25 0.00 -1.05 0.00 0.00 58.31 57.14 1inz n LYS 11 Cb 0.00 -1.89 -0.03 0.00 -0.65 0.00 0.00 35.03 32.46 1inz n LYS 11 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1inz n ASN 12 N -0.63 2.88 -4.67 -5.58 4.13 -1.26 -5.06 115.26 105.08 1inz n ASN 12 Ca 0.10 -2.77 -0.42 0.00 1.68 0.00 0.00 54.58 53.17 1inz n ASN 12 Cb 0.50 0.15 -0.03 0.00 -1.54 0.00 0.00 39.78 38.86 1inz n ASN 12 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1inz s ILE 13 N -2.45 2.96 0.05 2.41 1.01 -1.26 -4.98 121.20 118.94 1inz s ILE 13 Ca 0.12 0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.96 1inz s ILE 13 Cb -0.01 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 1inz s ILE 13 CO 0.07 -0.01 -0.22 0.68 0.00 0.00 0.00 174.94 175.47 1inz s VAL 14 N 3.93 1.78 -0.99 2.92 -7.23 -1.26 -4.82 120.40 114.73 1inz s VAL 14 Ca 0.85 -1.25 -0.20 0.00 -1.81 0.00 0.00 61.98 59.56 1inz s VAL 14 Cb -0.42 -1.54 0.03 0.00 0.56 0.00 0.00 36.38 35.00 1inz s VAL 14 CO 0.39 0.24 0.60 1.57 -0.31 0.00 0.00 175.10 177.59 1inz n HIS 15 N 1.81 -1.50 -0.74 2.82 -0.00 -1.26 -4.83 115.22 111.52 1inz n HIS 15 Ca -0.17 0.32 -0.32 0.00 -0.00 0.00 0.00 57.72 57.55 1inz n HIS 15 Cb 0.53 -2.54 0.14 0.00 -0.00 0.00 0.00 29.99 28.12 1inz n HIS 15 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1inz n ASN 16 N -2.09 -1.99 -4.94 0.26 2.85 -1.26 -5.01 115.26 103.08 1inz n ASN 16 Ca -0.18 0.20 -0.20 0.00 -0.11 0.00 0.00 54.58 54.29 1inz n ASN 16 Cb 0.57 -1.16 -0.01 0.00 1.24 0.00 0.00 39.78 40.42 1inz n ASN 16 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1inz s TYR 17 N -2.37 2.45 -0.74 1.20 1.51 -1.26 -4.77 117.35 113.36 1inz s TYR 17 Ca 0.58 -0.54 -0.01 0.00 -1.01 0.00 0.00 57.07 56.09 1inz s TYR 17 Cb -0.19 -2.21 -0.01 0.00 -0.11 0.00 0.00 41.96 39.44 1inz s TYR 17 CO 0.66 -0.38 0.69 0.45 -1.11 0.00 0.00 175.55 175.87 1inz n SER 18 N -1.75 -7.19 0.00 2.29 2.88 -1.26 -4.96 113.62 103.64 1inz n SER 18 Ca 0.06 -0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1inz n SER 18 Cb 0.61 -4.99 0.00 0.00 -0.75 0.00 0.00 64.21 59.08 1inz n SER 18 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1inz n GLU 19 N -1.99 1.48 0.02 -1.46 -0.58 -1.26 -4.77 120.64 112.08 1inz n GLU 19 Ca -0.01 -0.24 -0.11 0.00 -0.42 0.00 0.00 57.16 56.37 1inz n GLU 19 Cb 0.52 -0.70 -0.05 0.00 -0.57 0.00 0.00 31.44 30.64 1inz n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1inz h ALA 20 N 0.00 0.01 -1.62 0.62 0.00 -1.92 -1.28 119.26 115.07 1inz h ALA 20 Ca 0.00 0.02 0.47 0.00 0.00 0.00 0.00 54.91 55.40 1inz h ALA 20 Cb 0.07 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1inz h ALA 20 CO 0.00 -0.52 1.19 1.05 0.00 0.00 0.00 179.25 180.98 1inz h GLU 21 N -0.04 0.00 0.16 0.00 4.11 -1.86 0.52 114.58 117.46 1inz h GLU 21 Ca 0.03 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.21 1inz h GLU 21 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1inz h GLU 21 CO -0.07 0.00 -1.22 0.82 0.07 0.00 0.00 179.01 178.61 1inz h ILE 22 N 0.00 1.26 -0.46 -1.06 2.04 -1.59 -3.03 117.51 114.66 1inz h ILE 22 Ca 0.77 -2.51 0.08 0.00 1.00 0.00 0.00 64.86 64.19 1inz h ILE 22 Cb 3.15 2.97 -0.02 0.00 -0.74 0.00 0.00 36.82 42.17 1inz h ILE 22 CO -0.01 0.74 0.31 0.11 0.00 0.00 0.00 178.15 179.30 1inz h LYS 23 N -0.22 0.27 0.02 2.37 1.79 0.36 -1.85 116.57 119.30 1inz h LYS 23 Ca -0.24 -0.02 -0.18 0.00 -2.18 0.00 0.00 60.65 58.04 1inz h LYS 23 Cb 1.81 -0.06 0.02 0.00 -1.58 0.00 0.00 32.23 32.42 1inz h LYS 23 CO 0.14 0.18 -0.70 0.28 -1.08 0.00 0.00 179.45 178.27 1inz h VAL 24 N 0.27 1.41 -0.95 0.50 2.07 -1.40 -0.31 116.25 117.84 1inz h VAL 24 Ca 0.21 -2.16 0.07 0.00 0.82 0.00 0.00 66.70 65.64 1inz h VAL 24 Cb 0.47 2.63 -0.06 0.00 -1.52 0.00 0.00 31.29 32.81 1inz h VAL 24 CO -0.04 0.63 0.62 -0.09 0.02 0.00 0.00 177.57 178.71 1inz h ARG 25 N -0.06 1.05 0.00 1.57 9.65 -1.24 -1.84 114.38 123.52 1inz h ARG 25 Ca -0.09 -0.06 -0.22 0.00 -1.10 0.00 0.00 59.98 58.50 1inz h ARG 25 Cb 1.41 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 29.72 1inz h ARG 25 CO 0.14 0.70 -1.17 1.49 2.80 0.00 0.00 179.97 183.92 1inz h GLU 26 N 1.08 0.00 0.00 0.20 4.81 -1.40 -3.26 114.58 116.01 1inz h GLU 26 Ca 0.41 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.63 1inz h GLU 26 Cb 0.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1inz h GLU 26 CO -0.16 0.80 -0.05 0.00 -0.73 0.00 0.00 179.01 178.86 1inz h ALA 27 N 1.05 1.42 -0.97 2.92 0.00 -0.22 -1.67 119.26 121.79 1inz h ALA 27 Ca -0.09 -0.05 -0.56 0.00 0.00 0.00 0.00 54.91 54.21 1inz h ALA 27 Cb 1.80 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 19.29 1inz h ALA 27 CO 0.11 0.07 0.69 0.25 0.00 0.00 0.00 179.25 180.36 1inz n THR 28 N -3.75 3.33 -3.15 0.00 -2.24 -0.94 -4.80 114.28 102.72 1inz n THR 28 Ca -0.02 -2.36 0.05 0.00 -2.27 0.00 0.00 64.05 59.45 1inz n THR 28 Cb 0.15 -0.72 -0.01 0.00 -2.10 0.00 0.00 70.33 67.65 1inz n THR 28 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1inz s SER 29 N -1.58 -0.93 -0.02 3.42 0.15 -0.63 -4.61 113.70 109.51 1inz s SER 29 Ca 0.59 0.37 -0.30 0.00 0.70 0.00 0.00 55.95 57.31 1inz s SER 29 Cb 0.49 1.69 0.12 0.00 -1.71 0.00 0.00 66.02 66.61 1inz s SER 29 CO 0.06 -0.17 1.22 0.21 1.20 0.00 0.00 173.24 175.76 1inz s ASN 30 N 2.91 -0.09 0.26 5.45 2.47 -1.26 -4.86 114.94 119.82 1inz s ASN 30 Ca 0.13 -0.14 -0.15 0.00 0.42 0.00 0.00 52.86 53.11 1inz s ASN 30 Cb -0.10 0.21 -0.08 0.00 -1.45 0.00 0.00 41.25 39.83 1inz s ASN 30 CO -0.19 -0.37 0.69 1.51 -3.72 0.00 0.00 177.10 175.02 1inz s ASP 31 N -2.82 6.84 1.05 -4.21 1.47 -1.26 -5.06 116.67 112.68 1inz s ASP 31 Ca 0.13 1.25 -0.10 0.00 1.18 0.00 0.00 52.55 55.01 1inz s ASP 31 Cb 0.03 -2.36 0.16 0.00 -0.34 0.00 0.00 42.92 40.41 1inz s ASP 31 CO -0.03 -0.09 0.35 -2.65 0.68 0.00 0.00 175.17 173.43 1inz n PRO 32 N 0.09 -2.41 -1.03 2.11 -0.02 -1.26 -4.82 135.00 127.65 1inz n PRO 32 Ca 0.01 -0.59 0.14 0.00 -2.02 0.00 0.00 63.50 61.03 1inz n PRO 32 Cb 0.52 -0.87 -0.04 0.00 -0.02 0.00 0.00 33.50 33.09 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 -4.07 -2.62 0.00 6.00 8.01 -1.26 -5.06 117.44 118.44 1inz n TRP 33 Ca 0.06 1.34 0.00 0.00 -1.31 0.00 0.00 57.50 57.59 1inz n TRP 33 Cb 0.24 -2.38 0.00 0.00 -2.01 0.00 0.00 31.31 27.16 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 -3.57 1.55 0.28 6.99 0.00 -1.26 -4.98 105.19 104.20 1inz n GLY 34 Ca -0.01 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.31 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 0.53 -6.55 1.61 0.13 -2.02 -3.42 132.00 122.28 1inz h PRO 35 Ca 0.00 -0.08 -0.68 0.00 -0.87 0.00 0.00 66.00 64.37 1inz h PRO 35 Cb 0.00 -0.09 -0.19 0.00 0.13 0.00 0.00 31.00 30.84 1inz h PRO 35 CO 0.00 0.49 -0.77 -1.54 -0.23 0.00 0.00 178.00 175.94 1inz s SER 36 N -6.71 4.08 -0.24 1.44 1.04 -1.26 -5.11 113.70 106.94 1inz s SER 36 Ca -0.08 -0.40 -0.04 0.00 0.48 0.00 0.00 55.95 55.92 1inz s SER 36 Cb 0.16 -0.73 0.13 0.00 0.10 0.00 0.00 66.02 65.68 1inz s SER 36 CO 0.75 0.23 0.42 -0.94 0.98 0.00 0.00 173.24 174.68 1inz s SER 37 N -1.74 -0.12 -0.86 7.02 1.04 -1.26 -5.06 113.70 112.73 1inz s SER 37 Ca 0.17 0.55 0.01 0.00 0.48 0.00 0.00 55.95 57.16 1inz s SER 37 Cb -0.11 1.33 0.32 0.00 0.10 0.00 0.00 66.02 67.66 1inz s SER 37 CO 0.08 -0.27 1.43 -1.20 0.98 0.00 0.00 173.24 174.26 1inz n SER 38 N 5.38 6.09 0.00 7.02 7.64 -1.26 -4.58 113.62 133.91 1inz n SER 38 Ca -0.05 -3.65 0.00 0.00 1.01 0.00 0.00 58.87 56.18 1inz n SER 38 Cb 0.50 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1inz n SER 38 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1inz n LEU 39 N 0.05 1.25 0.07 -3.43 -0.00 -1.26 -4.74 117.00 108.93 1inz n LEU 39 Ca 0.39 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.36 1inz n LEU 39 Cb 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.72 1inz n LEU 39 CO 0.47 0.21 0.11 0.24 -0.00 0.00 0.00 177.39 178.42 1inz h MET 40 N 0.00 -0.26 -1.03 1.96 2.86 -1.92 -2.69 114.93 113.85 1inz h MET 40 Ca 0.00 0.02 0.30 0.00 -2.06 0.00 0.00 59.70 57.96 1inz h MET 40 Cb 0.43 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 1inz h MET 40 CO 0.00 -0.17 0.78 0.66 1.06 0.00 0.00 176.91 179.24 1inz h SER 41 N -1.00 0.00 0.10 1.22 4.64 -1.91 -0.99 113.55 115.60 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 -0.05 -0.33 -0.87 0.00 0.00 176.83 175.63 1inz h GLU 42 N 0.00 -0.13 -0.99 4.77 5.08 -1.85 -2.28 114.58 119.18 1inz h GLU 42 Ca 0.49 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 59.00 1inz h GLU 42 Cb 2.05 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 31.24 1inz h GLU 42 CO -0.01 0.38 0.62 0.82 -1.00 0.00 0.00 179.01 179.83 1inz h ILE 43 N -0.85 0.84 0.08 3.13 2.04 -0.86 -0.20 117.51 121.69 1inz h ILE 43 Ca -0.01 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1inz h ILE 43 Cb 0.57 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1inz h ILE 43 CO 0.02 0.16 -0.04 0.00 0.00 0.00 0.00 178.15 178.30 1inz h ALA 44 N 1.58 -0.10 0.00 1.87 0.00 -1.42 -1.40 119.26 119.79 1inz h ALA 44 Ca 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1inz h ALA 44 Cb 0.64 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1inz h ALA 44 CO -0.29 -0.40 0.18 0.22 0.00 0.00 0.00 179.25 178.96 1inz h ASP 45 N -0.42 0.00 0.32 0.00 3.58 -0.69 0.39 116.42 119.61 1inz h ASP 45 Ca -0.01 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.11 1inz h ASP 45 Cb 0.36 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.43 1inz h ASP 45 CO 0.02 0.00 -1.56 -0.07 -2.88 0.00 0.00 179.24 174.74 1inz h LEU 46 N 0.00 0.63 -0.81 2.28 3.38 -0.16 -3.32 115.31 117.31 1inz h LEU 46 Ca 0.00 -0.79 0.15 0.00 0.09 0.00 0.00 57.88 57.32 1inz h LEU 46 Cb 0.37 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 40.81 1inz h LEU 46 CO 0.00 1.65 0.38 0.71 0.09 0.00 0.00 178.44 181.27 1inz h THR 47 N 0.11 0.69 -0.95 0.22 1.35 0.11 0.85 112.91 115.30 1inz h THR 47 Ca -0.27 -0.19 0.29 0.00 -0.55 0.00 0.00 66.41 65.69 1inz h THR 47 Cb 2.10 0.10 -0.16 0.00 -1.73 0.00 0.00 68.15 68.46 1inz h THR 47 CO 0.21 0.10 0.30 1.88 -0.25 0.00 0.00 175.52 177.76 1inz h TYR 48 N 0.54 0.44 -1.28 4.73 0.05 -1.64 -3.26 116.97 116.56 1inz h TYR 48 Ca 0.45 0.05 -0.44 0.00 0.05 0.00 0.00 58.73 58.84 1inz h TYR 48 Cb 0.66 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 38.30 1inz h TYR 48 CO -0.12 -0.31 1.08 1.21 -1.05 0.00 0.00 178.16 178.97 1inz s ASN 49 N -4.94 5.58 0.00 3.88 3.84 0.29 -4.85 114.94 118.75 1inz s ASN 49 Ca -0.11 -0.59 0.00 0.00 0.21 0.00 0.00 52.86 52.37 1inz s ASN 49 Cb 0.29 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.43 1inz s ASN 49 CO 0.78 -2.29 0.00 1.33 -2.79 0.00 0.00 177.10 174.13 1inz n VAL 50 N 7.34 0.00 0.13 -5.21 0.24 -1.23 0.56 118.33 120.16 1inz n VAL 50 Ca 0.30 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.54 1inz n VAL 50 Cb 0.49 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.84 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 -0.88 3.34 2.07 -1.88 -3.11 116.25 115.78 1inz h VAL 51 Ca 0.00 -0.11 0.25 0.00 0.82 0.00 0.00 66.70 67.66 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 0.05 0.00 0.02 0.00 0.00 177.57 177.64 1inz n ALA 52 N -2.26 0.48 0.13 1.67 0.00 0.19 0.25 120.51 120.97 1inz n ALA 52 Ca -0.04 0.94 -0.13 0.00 0.00 0.00 0.00 53.44 54.21 1inz n ALA 52 Cb 0.14 -0.71 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.60 -0.05 0.00 3.57 -1.49 0.13 116.94 118.51 1inz h PHE 53 Ca 0.55 0.01 0.01 0.00 3.53 0.00 0.00 57.97 62.08 1inz h PHE 53 Cb 1.17 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 40.15 1inz h PHE 53 CO -0.42 -0.33 0.15 0.77 -2.23 0.00 0.00 178.31 176.26 1inz h SER 54 N -0.44 0.00 0.85 0.41 0.02 -0.13 0.80 113.55 115.06 1inz h SER 54 Ca 0.02 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 1inz h SER 54 Cb 0.45 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1inz h SER 54 CO -0.10 0.00 -1.23 -0.33 -1.14 0.00 0.00 176.83 174.02 1inz h GLU 55 N 0.00 0.00 0.00 3.45 4.39 -0.25 -3.27 114.58 118.91 1inz h GLU 55 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1inz h GLU 55 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1inz h GLU 55 CO -0.00 0.26 0.00 -0.89 -1.16 0.00 0.00 179.01 177.22 1inz n ILE 56 N -2.89 0.00 -0.35 3.13 5.41 0.27 -3.10 119.36 121.82 1inz n ILE 56 Ca -0.07 0.53 0.25 0.00 1.00 0.00 0.00 62.75 64.46 1inz n ILE 56 Cb 0.78 -1.50 0.50 0.00 -0.71 0.00 0.00 39.64 38.71 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 0.34 0.38 0.38 2.86 -1.68 -0.76 114.93 116.45 1inz h MET 57 Ca 0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1inz h MET 57 Cb 0.00 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1inz h MET 57 CO 0.00 0.23 -0.41 1.03 1.06 0.00 0.00 176.91 178.82 1inz h SER 58 N 0.35 -1.13 -0.04 1.22 0.87 -1.68 0.18 113.55 113.32 1inz h SER 58 Ca 0.69 0.09 0.01 0.00 -1.23 0.00 0.00 61.79 61.36 1inz h SER 58 Cb 1.70 0.38 -0.00 0.00 -0.44 0.00 0.00 62.40 64.03 1inz h SER 58 CO -0.47 -0.53 0.07 0.24 -0.53 0.00 0.00 176.83 175.62 1inz h MET 59 N -0.80 0.00 -0.02 2.24 2.07 -1.13 -0.03 114.93 117.27 1inz h MET 59 Ca -0.05 0.00 -0.16 0.00 -2.07 0.00 0.00 59.70 57.42 1inz h MET 59 Cb 0.70 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.41 1inz h MET 59 CO -0.06 0.00 -0.72 0.82 1.07 0.00 0.00 176.91 178.01 1inz h ILE 60 N 0.00 1.46 0.12 -1.22 2.04 0.09 -2.93 117.51 117.07 1inz h ILE 60 Ca 0.02 -2.33 -0.01 0.00 1.00 0.00 0.00 64.86 63.55 1inz h ILE 60 Cb 0.17 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1inz h ILE 60 CO -0.00 0.68 -0.06 -0.50 0.00 0.00 0.00 178.15 178.27 1inz h TRP 61 N 0.09 -0.15 -0.87 1.37 -0.00 0.89 -1.89 115.95 115.39 1inz h TRP 61 Ca -0.02 -0.00 0.23 0.00 -0.00 0.00 0.00 58.89 59.10 1inz h TRP 61 Cb 1.28 0.05 -0.15 0.00 -0.00 0.00 0.00 29.16 30.34 1inz h TRP 61 CO 0.02 -0.10 0.16 0.87 -0.00 0.00 0.00 178.44 179.39 1inz h LYS 62 N -0.70 0.15 -0.16 0.49 1.57 -1.63 0.50 116.57 116.78 1inz h LYS 62 Ca -0.02 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1inz h LYS 62 Cb 0.13 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1inz h LYS 62 CO 0.03 0.10 -0.44 0.00 -0.57 0.00 0.00 179.45 178.57 1inz h ARG 63 N 0.15 0.39 -0.01 3.15 2.47 -1.63 -2.74 114.38 116.17 1inz h ARG 63 Ca 0.53 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 1inz h ARG 63 Cb 1.06 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.39 1inz h ARG 63 CO -0.70 0.76 0.13 -0.07 0.56 0.00 0.00 179.97 180.65 1inz h LEU 64 N 0.32 0.00 -3.90 3.04 3.38 0.86 -1.15 115.31 117.86 1inz h LEU 64 Ca 0.02 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.37 1inz h LEU 64 Cb 0.91 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.32 1inz h LEU 64 CO 0.08 0.00 0.25 0.59 0.09 0.00 0.00 178.44 179.44 1inz n ASN 65 N -3.08 6.64 -3.35 -0.43 4.13 -1.03 -4.67 115.26 113.47 1inz n ASN 65 Ca -0.02 -3.77 0.00 0.00 1.68 0.00 0.00 54.58 52.46 1inz n ASN 65 Cb 0.19 -0.74 0.00 0.00 -1.54 0.00 0.00 39.78 37.69 1inz n ASN 65 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1inz n ASP 66 N -0.85 -0.48 -3.36 6.41 2.03 -0.43 -4.99 116.55 114.88 1inz n ASP 66 Ca 0.56 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.70 1inz n ASP 66 Cb 0.78 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.29 1inz n ASP 66 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1inz n HIS 67 N -1.38 -3.61 0.10 -0.67 8.25 -1.25 -4.96 115.22 111.69 1inz n HIS 67 Ca 0.00 -0.89 -0.09 0.00 -0.26 0.00 0.00 57.72 56.47 1inz n HIS 67 Cb 0.00 -0.56 -0.06 0.00 1.12 0.00 0.00 29.99 30.49 1inz n HIS 67 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1inz h GLY 68 N -0.77 -0.35 2.00 -1.41 0.00 -1.94 -3.25 103.07 97.34 1inz h GLY 68 Ca -0.24 0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 1inz h GLY 68 CO 0.20 -0.13 -0.18 1.70 0.00 0.00 0.00 176.54 178.14 1inz h LYS 69 N -0.97 0.00 -1.80 4.80 3.11 -1.96 -3.15 116.57 116.60 1inz h LYS 69 Ca -0.03 0.00 -0.64 0.00 -2.81 0.00 0.00 60.65 57.17 1inz h LYS 69 Cb 0.46 0.00 -0.23 0.00 -1.00 0.00 0.00 32.23 31.46 1inz h LYS 69 CO 0.06 0.18 0.78 0.09 -2.81 0.00 0.00 179.45 177.75 1inz n ASN 70 N -3.37 7.16 0.02 4.20 3.02 -1.23 -4.54 115.26 120.52 1inz n ASN 70 Ca -0.00 -3.58 0.12 0.00 -0.03 0.00 0.00 54.58 51.09 1inz n ASN 70 Cb 0.38 -1.10 0.51 0.00 -0.61 0.00 0.00 39.78 38.96 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 -0.11 0.19 -0.03 3.10 4.27 -1.19 -3.43 117.44 120.25 1inz n TRP 71 Ca 0.52 0.06 0.23 0.00 -3.89 0.00 0.00 57.50 54.42 1inz n TRP 71 Cb 0.42 -0.60 0.72 0.00 -1.36 0.00 0.00 31.31 30.49 1inz n TRP 71 CO 0.00 0.00 0.00 0.07 -2.29 0.00 0.00 177.69 175.47 1inz h ARG 72 N 0.00 0.00 0.07 -2.67 -0.00 -1.90 0.16 114.38 110.03 1inz h ARG 72 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 59.98 59.73 1inz h ARG 72 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.45 1inz h ARG 72 CO 0.00 0.00 -1.10 0.45 -0.00 0.00 0.00 179.97 179.32 1inz h HIS 73 N 0.00 0.52 0.52 4.08 3.86 -1.81 -3.10 115.15 119.23 1inz h HIS 73 Ca 0.29 -0.34 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1inz h HIS 73 Cb 1.29 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 29.72 1inz h HIS 73 CO 0.00 1.21 -0.25 0.28 0.86 0.00 0.00 177.93 180.03 1inz h VAL 74 N 0.14 0.48 -0.20 2.45 2.07 -0.84 0.12 116.25 120.47 1inz h VAL 74 Ca -0.11 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1inz h VAL 74 Cb 1.78 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 1inz h VAL 74 CO 0.18 0.01 -0.22 0.22 0.02 0.00 0.00 177.57 177.79 1inz h TYR 75 N -0.74 -0.57 0.00 1.57 3.20 -1.59 0.23 116.97 119.08 1inz h TYR 75 Ca -0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1inz h TYR 75 Cb 0.55 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 39.11 1inz h TYR 75 CO -0.03 -0.30 -0.03 -0.22 -1.64 0.00 0.00 178.16 175.94 1inz h LYS 76 N -0.24 0.00 -0.03 1.82 1.63 -1.45 -1.41 116.57 116.89 1inz h LYS 76 Ca 0.12 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.73 1inz h LYS 76 Cb 0.43 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 1inz h LYS 76 CO -0.34 0.03 -0.80 0.00 -3.45 0.00 0.00 179.45 174.89 1inz h ALA 77 N 1.97 0.56 -0.05 5.00 0.00 0.21 -3.05 119.26 123.91 1inz h ALA 77 Ca -0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.18 1inz h ALA 77 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1inz h ALA 77 CO 0.00 0.82 -0.32 0.52 0.00 0.00 0.00 179.25 180.28 1inz h MET 78 N 0.19 0.09 0.40 0.00 2.86 -0.03 -2.61 114.93 115.83 1inz h MET 78 Ca -0.04 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1inz h MET 78 Cb 1.40 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.06 1inz h MET 78 CO 0.13 0.41 -0.19 1.15 1.06 0.00 0.00 176.91 179.46 1inz h THR 79 N 0.08 0.00 -0.77 2.22 2.02 -1.41 -2.07 112.91 112.98 1inz h THR 79 Ca 0.01 -0.20 0.18 0.00 0.77 0.00 0.00 66.41 67.17 1inz h THR 79 Cb 0.61 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.89 1inz h THR 79 CO 0.04 0.00 0.07 0.25 0.37 0.00 0.00 175.52 176.26 1inz h LEU 80 N -0.74 -0.22 -0.76 2.58 5.85 -1.57 0.25 115.31 120.71 1inz h LEU 80 Ca -0.06 0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1inz h LEU 80 Cb 0.41 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 1inz h LEU 80 CO 0.09 -0.15 0.44 -0.03 -0.34 0.00 0.00 178.44 178.45 1inz h MET 81 N 0.15 0.77 0.24 1.25 4.05 -1.47 -2.06 114.93 117.87 1inz h MET 81 Ca 0.43 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.80 1inz h MET 81 Cb 0.78 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 1inz h MET 81 CO -0.63 0.51 -0.12 1.49 0.23 0.00 0.00 176.91 178.39 1inz h GLU 82 N 0.79 -0.31 -0.88 0.39 4.81 0.17 -1.57 114.58 117.99 1inz h GLU 82 Ca 0.34 0.02 0.22 0.00 -0.13 0.00 0.00 59.36 59.81 1inz h GLU 82 Cb 0.22 0.07 -0.16 0.00 0.63 0.00 0.00 28.75 29.51 1inz h GLU 82 CO -0.19 -0.21 -0.07 0.98 -0.73 0.00 0.00 179.01 178.79 1inz n TYR 83 N -3.35 0.47 -0.10 0.92 9.36 -0.30 0.84 117.16 125.01 1inz n TYR 83 Ca -0.04 1.06 -0.12 0.00 3.32 0.00 0.00 57.90 62.12 1inz n TYR 83 Cb 0.13 -1.11 -0.04 0.00 -0.63 0.00 0.00 39.34 37.70 1inz n TYR 83 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1inz h LEU 84 N 0.00 0.63 -1.96 2.98 3.38 -1.41 -1.39 115.31 117.53 1inz h LEU 84 Ca 0.49 -0.39 0.33 0.00 0.09 0.00 0.00 57.88 58.40 1inz h LEU 84 Cb 0.94 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 1inz h LEU 84 CO -0.85 0.88 0.86 0.40 0.09 0.00 0.00 178.44 179.82 1inz h ILE 85 N 0.38 0.38 0.00 1.22 2.04 0.15 1.59 117.51 123.26 1inz h ILE 85 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1inz h ILE 85 Cb 0.63 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1inz h ILE 85 CO 0.04 0.00 0.00 1.17 0.00 0.00 0.00 178.15 179.36 1inz n LYS 86 N -4.11 0.00 0.07 2.37 4.81 -0.95 -4.61 118.16 115.74 1inz n LYS 86 Ca 0.25 0.10 -0.03 0.00 -0.87 0.00 0.00 58.31 57.76 1inz n LYS 86 Cb 1.24 -0.50 -0.07 0.00 0.02 0.00 0.00 35.03 35.72 1inz n LYS 86 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1inz h THR 87 N 0.00 1.04 0.00 3.15 1.03 -1.21 -3.40 112.91 113.51 1inz h THR 87 Ca 0.00 -2.61 0.00 0.00 -0.01 0.00 0.00 66.41 63.79 1inz h THR 87 Cb 0.00 2.46 0.00 0.00 -1.07 0.00 0.00 68.15 69.54 1inz h THR 87 CO 0.00 0.59 0.00 0.61 -0.01 0.00 0.00 175.52 176.71 1inz n GLY 88 N 1.35 -1.78 3.61 2.99 0.00 0.54 -4.74 105.19 107.15 1inz n GLY 88 Ca -0.04 0.26 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 1inz n GLY 88 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1inz s SER 89 N -2.79 -0.13 0.27 1.61 0.15 -0.81 -4.29 113.70 107.71 1inz s SER 89 Ca 0.00 0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.72 1inz s SER 89 Cb 0.00 0.12 0.58 0.00 -1.71 0.00 0.00 66.02 65.01 1inz s SER 89 CO 0.00 -0.16 1.67 1.05 1.20 0.00 0.00 173.24 177.00 1inz h GLU 90 N 2.12 0.26 -0.67 5.44 4.11 -1.89 0.10 114.58 124.05 1inz h GLU 90 Ca -0.10 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.33 1inz h GLU 90 Cb 1.17 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 1inz h GLU 90 CO 0.24 0.17 0.44 0.00 0.07 0.00 0.00 179.01 179.92 1inz h ARG 91 N 0.26 0.85 -0.38 1.06 3.08 -1.96 -0.48 114.38 116.81 1inz h ARG 91 Ca 0.48 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.59 1inz h ARG 91 Cb 0.89 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1inz h ARG 91 CO -0.57 0.56 0.43 0.28 -1.07 0.00 0.00 179.97 179.60 1inz h VAL 92 N 0.88 0.36 0.06 2.04 2.07 -1.13 0.12 116.25 120.65 1inz h VAL 92 Ca 0.26 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.44 1inz h VAL 92 Cb -0.06 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1inz h VAL 92 CO -0.07 0.00 -1.92 -0.24 0.02 0.00 0.00 177.57 175.36 1inz n SER 93 N -3.69 1.47 0.17 0.57 2.88 -0.30 -3.42 113.62 111.30 1inz n SER 93 Ca 0.07 0.27 -0.14 0.00 -1.33 0.00 0.00 58.87 57.74 1inz n SER 93 Cb 0.60 -0.40 -0.08 0.00 -0.75 0.00 0.00 64.21 63.58 1inz n SER 93 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1inz h GLN 94 N 0.03 -0.37 -0.85 -1.46 1.08 0.11 -2.28 115.11 111.38 1inz h GLN 94 Ca -0.38 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 1inz h GLN 94 Cb 2.03 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 29.50 1inz h GLN 94 CO 0.07 -0.19 0.55 0.37 -0.95 0.00 0.00 178.83 178.69 1inz h GLN 95 N -0.46 1.13 -0.43 1.46 4.15 -1.53 0.40 115.11 119.82 1inz h GLN 95 Ca -0.04 -0.08 0.12 0.00 0.77 0.00 0.00 58.65 59.43 1inz h GLN 95 Cb 0.35 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1inz h GLN 95 CO 0.06 0.76 0.31 0.00 -1.93 0.00 0.00 178.83 178.03 1inz h LYS 97 N 0.02 0.00 0.00 0.00 3.64 -0.39 -3.21 116.57 116.63 1inz h LYS 97 Ca 0.21 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1inz h LYS 97 Cb 0.80 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1inz h LYS 97 CO -0.01 0.26 -0.19 1.05 -2.27 0.00 0.00 179.45 178.29 1inz h GLU 98 N 0.00 0.00 -0.87 1.90 4.11 0.30 -3.28 114.58 116.73 1inz h GLU 98 Ca -0.06 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.80 1inz h GLU 98 Cb 1.32 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.16 1inz h GLU 98 CO 0.04 0.15 -0.60 -1.71 0.07 0.00 0.00 179.01 176.95 1inz n ASN 99 N -3.12 5.25 0.29 3.06 5.15 -0.31 -4.76 115.26 120.82 1inz n ASN 99 Ca 0.03 -3.75 0.15 0.00 -0.60 0.00 0.00 54.58 50.41 1inz n ASN 99 Cb 0.59 -0.43 0.90 0.00 -0.53 0.00 0.00 39.78 40.31 1inz n ASN 99 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1inz h MET 100 N 2.21 0.00 0.00 1.20 -0.00 -1.62 -0.67 114.93 116.05 1inz h MET 100 Ca 0.39 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 60.02 1inz h MET 100 Cb 1.38 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.97 1inz h MET 100 CO 0.87 0.03 -0.34 1.88 -0.00 0.00 0.00 176.91 179.34 1inz h TYR 101 N 0.00 0.00 -0.01 -0.10 0.05 -1.91 -1.08 116.97 113.92 1inz h TYR 101 Ca -0.00 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.61 1inz h TYR 101 Cb 0.07 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.82 1inz h TYR 101 CO 0.00 0.34 -0.65 0.00 -1.05 0.00 0.00 178.16 176.80 1inz h ALA 102 N 1.66 0.09 0.00 3.88 0.00 -1.51 -0.82 119.26 122.57 1inz h ALA 102 Ca -0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 1inz h ALA 102 Cb 0.70 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1inz h ALA 102 CO 0.04 0.40 -0.51 0.28 0.00 0.00 0.00 179.25 179.46 1inz h VAL 103 N -0.02 1.27 0.00 0.00 2.07 -1.43 -3.06 116.25 115.09 1inz h VAL 103 Ca -0.08 -1.81 -0.20 0.00 0.82 0.00 0.00 66.70 65.42 1inz h VAL 103 Cb 1.35 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 1inz h VAL 103 CO 0.13 0.50 -1.12 1.56 0.02 0.00 0.00 177.57 178.66 1inz h GLN 104 N 0.00 0.00 0.00 1.57 1.08 -1.22 -3.27 115.11 113.27 1inz h GLN 104 Ca -0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1inz h GLN 104 Cb 0.96 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1inz h GLN 104 CO 0.07 0.71 -0.01 0.00 -0.95 0.00 0.00 178.83 178.64 1inz h THR 105 N 0.00 0.36 -0.55 -0.54 1.03 -1.03 -1.98 112.91 110.19 1inz h THR 105 Ca -0.09 -0.08 -0.06 0.00 -0.01 0.00 0.00 66.41 66.17 1inz h THR 105 Cb 1.74 1.05 -0.02 0.00 -1.07 0.00 0.00 68.15 69.85 1inz h THR 105 CO 0.10 0.01 0.10 -0.07 -0.01 0.00 0.00 175.52 175.65 1inz h LEU 106 N 0.00 0.87 -1.85 0.00 3.38 -1.62 -2.03 115.31 114.06 1inz h LEU 106 Ca -0.00 -0.25 0.28 0.00 0.09 0.00 0.00 57.88 57.99 1inz h LEU 106 Cb 0.05 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1inz h LEU 106 CO 0.00 0.90 0.81 0.50 0.09 0.00 0.00 178.44 180.74 1inz h LYS 107 N 0.81 0.00 0.00 1.13 3.64 -1.53 0.34 116.57 120.95 1inz h LYS 107 Ca 0.17 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.32 1inz h LYS 107 Cb 0.40 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 1inz h LYS 107 CO 0.01 0.00 -1.96 -3.47 -2.27 0.00 0.00 179.45 171.76 1inz n ASP 108 N -3.90 0.33 -4.53 4.20 -0.08 -0.91 -4.78 116.55 106.88 1inz n ASP 108 Ca 0.20 0.15 -0.47 0.00 -1.51 0.00 0.00 54.79 53.16 1inz n ASP 108 Cb 1.13 0.86 -0.05 0.00 2.34 0.00 0.00 41.12 45.40 1inz n ASP 108 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1inz n PHE 109 N -2.72 1.82 -3.83 -0.67 -0.00 0.12 -4.92 117.46 107.26 1inz n PHE 109 Ca -0.19 0.06 -0.12 0.00 -0.00 0.00 0.00 57.45 57.20 1inz n PHE 109 Cb 0.93 -2.64 -0.12 0.00 -0.00 0.00 0.00 39.48 37.66 1inz n PHE 109 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.76 177.90 1inz s GLN 110 N 6.17 0.23 -0.30 -4.13 1.03 -1.26 -4.84 119.66 116.55 1inz s GLN 110 Ca 1.04 0.12 -0.07 0.00 0.04 0.00 0.00 55.36 56.49 1inz s GLN 110 Cb -0.59 0.10 0.18 0.00 0.03 0.00 0.00 33.01 32.74 1inz s GLN 110 CO 0.42 -0.04 0.83 -0.47 -2.54 0.00 0.00 175.29 173.49 1inz s TYR 111 N -0.15 -1.07 -0.38 9.60 6.14 -1.26 -4.99 117.35 125.24 1inz s TYR 111 Ca -0.02 1.09 0.03 0.00 0.64 0.00 0.00 57.07 58.81 1inz s TYR 111 Cb -0.02 0.36 0.02 0.00 0.42 0.00 0.00 41.96 42.73 1inz s TYR 111 CO 0.00 -0.59 0.53 0.28 0.64 0.00 0.00 175.55 176.41 1inz n VAL 112 N 5.44 0.00 -1.18 3.14 0.31 -1.26 -4.31 118.33 120.46 1inz n VAL 112 Ca -0.03 -0.49 0.13 0.00 -0.01 0.00 0.00 64.34 63.94 1inz n VAL 112 Cb 0.53 1.06 -0.05 0.00 -0.91 0.00 0.00 33.84 34.47 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 -0.02 -6.17 -0.18 4.52 9.92 -1.26 -1.42 116.55 121.93 1inz n ASP 113 Ca 0.02 0.74 -0.00 0.00 -0.53 0.00 0.00 54.79 55.01 1inz n ASP 113 Cb 0.08 -3.79 0.09 0.00 -0.64 0.00 0.00 41.12 36.86 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 -1.29 0.15 -3.32 -1.24 0.11 -2.06 -3.26 114.38 103.46 1inz h ARG 114 Ca -0.06 -0.01 -0.65 0.00 0.10 0.00 0.00 59.98 59.36 1inz h ARG 114 Cb 1.27 -0.03 -0.40 0.00 1.11 0.00 0.00 29.97 31.91 1inz h ARG 114 CO 0.04 0.10 -0.52 -0.51 0.10 0.00 0.00 179.97 179.17 1inz s ASP 115 N -5.26 4.76 0.02 0.08 1.01 -1.26 -5.06 116.67 110.96 1inz s ASP 115 Ca -0.13 -3.29 0.00 0.00 0.71 0.00 0.00 52.55 49.84 1inz s ASP 115 Cb 0.17 -1.70 -0.00 0.00 1.01 0.00 0.00 42.92 42.40 1inz s ASP 115 CO 0.73 -0.21 0.01 0.61 0.21 0.00 0.00 175.17 176.53 1inz n GLY 116 N 2.78 4.00 3.29 0.21 0.00 -0.51 -5.10 105.19 109.87 1inz n GLY 116 Ca 0.11 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.07 3.34 -0.49 1.61 1.02 -1.26 -5.01 119.74 116.88 1inz s LYS 117 Ca 0.02 -0.64 -0.27 0.00 0.02 0.00 0.00 55.97 55.09 1inz s LYS 117 Cb 0.00 -2.96 -0.08 0.00 -0.52 0.00 0.00 37.83 34.27 1inz s LYS 117 CO 0.01 -0.19 2.41 -3.47 -0.92 0.00 0.00 175.35 173.19 1inz n ASP 118 N 4.75 2.28 -0.03 2.83 -0.08 -1.26 -4.60 116.55 120.44 1inz n ASP 118 Ca -0.18 -0.34 0.00 0.00 -1.51 0.00 0.00 54.79 52.76 1inz n ASP 118 Cb 0.51 -1.52 0.00 0.00 2.34 0.00 0.00 41.12 42.44 1inz n ASP 118 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1inz n GLN 119 N 8.91 0.00 0.17 -0.67 -0.00 -1.26 -4.82 117.38 119.71 1inz n GLN 119 Ca 0.38 -0.49 0.11 0.00 -0.00 0.00 0.00 57.00 57.01 1inz n GLN 119 Cb 0.49 -0.45 0.60 0.00 -0.00 0.00 0.00 30.24 30.87 1inz n GLN 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1inz n GLY 120 N 0.00 -0.87 0.00 2.61 0.00 -1.26 -3.38 105.19 102.29 1inz n GLY 120 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1inz n GLY 120 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1inz n VAL 121 N -2.27 0.00 -0.26 1.61 0.31 -1.26 -0.87 118.33 115.59 1inz n VAL 121 Ca -0.01 0.84 -0.02 0.00 -0.01 0.00 0.00 64.34 65.14 1inz n VAL 121 Cb 0.04 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 1inz n VAL 121 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1inz n ASN 122 N -0.96 -0.49 -0.19 4.52 4.13 -1.22 0.18 115.26 121.23 1inz n ASN 122 Ca 0.00 1.14 -0.09 0.00 1.68 0.00 0.00 54.58 57.31 1inz n ASN 122 Cb 0.00 -0.23 0.03 0.00 -1.54 0.00 0.00 39.78 38.04 1inz n ASN 122 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1inz h VAL 123 N 0.00 1.27 0.00 2.41 3.04 -1.68 -0.53 116.25 120.76 1inz h VAL 123 Ca 0.20 -1.21 0.00 0.00 -1.01 0.00 0.00 66.70 64.67 1inz h VAL 123 Cb 0.36 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1inz h VAL 123 CO -0.64 0.43 0.00 -1.14 -1.01 0.00 0.00 177.57 175.22 1inz n ARG 124 N -4.16 0.00 0.07 4.17 0.63 0.47 -1.79 116.66 116.05 1inz n ARG 124 Ca 0.02 0.46 0.19 0.00 -0.92 0.00 0.00 57.85 57.60 1inz n ARG 124 Cb 0.38 -1.40 0.72 0.00 0.45 0.00 0.00 32.46 32.60 1inz n ARG 124 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1inz h GLU 125 N 0.00 0.00 0.68 -0.14 5.08 -0.94 -2.57 114.58 116.69 1inz h GLU 125 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1inz h GLU 125 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1inz h GLU 125 CO 0.00 0.00 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.46 1inz h LYS 126 N 0.00 -0.89 -0.97 2.33 1.63 -0.97 -1.81 116.57 115.89 1inz h LYS 126 Ca 0.20 0.06 0.25 0.00 -0.85 0.00 0.00 60.65 60.31 1inz h LYS 126 Cb 0.86 0.20 -0.13 0.00 -0.60 0.00 0.00 32.23 32.56 1inz h LYS 126 CO -0.00 -0.59 0.53 0.00 -3.45 0.00 0.00 179.45 175.93 1inz h ALA 127 N -1.49 1.70 -0.96 5.00 0.00 -0.96 0.30 119.26 122.85 1inz h ALA 127 Ca -0.09 0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1inz h ALA 127 Cb 0.70 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1inz h ALA 127 CO 0.15 -0.34 0.62 -0.22 0.00 0.00 0.00 179.25 179.47 1inz h LYS 128 N 0.48 1.28 0.29 0.00 3.11 -1.24 -2.84 116.57 117.65 1inz h LYS 128 Ca 0.63 -0.09 -0.01 0.00 -2.81 0.00 0.00 60.65 58.37 1inz h LYS 128 Cb 1.25 -0.28 0.00 0.00 -1.00 0.00 0.00 32.23 32.20 1inz h LYS 128 CO -0.52 0.86 -0.14 1.96 -2.81 0.00 0.00 179.45 178.81 1inz h GLN 129 N 1.31 -0.38 -1.17 1.90 4.20 0.45 -2.16 115.11 119.26 1inz h GLN 129 Ca 0.35 0.03 0.34 0.00 0.06 0.00 0.00 58.65 59.43 1inz h GLN 129 Cb -0.13 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 1inz h GLN 129 CO -0.07 -0.06 0.91 1.25 -0.67 0.00 0.00 178.83 180.18 1inz h LEU 130 N -0.72 0.00 0.23 1.46 5.85 -1.28 0.58 115.31 121.44 1inz h LEU 130 Ca -0.04 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.36 1inz h LEU 130 Cb 0.49 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.55 1inz h LEU 130 CO 0.07 0.00 -1.43 0.58 -0.34 0.00 0.00 178.44 177.32 1inz h VAL 131 N 0.00 1.33 -0.30 1.05 2.07 -1.25 -3.27 116.25 115.89 1inz h VAL 131 Ca 0.56 -2.79 0.03 0.00 0.82 0.00 0.00 66.70 65.32 1inz h VAL 131 Cb 2.37 3.02 -0.03 0.00 -1.52 0.00 0.00 31.29 35.13 1inz h VAL 131 CO -0.01 0.83 0.11 0.00 0.02 0.00 0.00 177.57 178.53 1inz h ALA 132 N 0.26 0.34 -0.44 1.67 0.00 0.80 0.29 119.26 122.17 1inz h ALA 132 Ca -0.23 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1inz h ALA 132 Cb 2.13 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.85 1inz h ALA 132 CO 0.26 -0.29 0.09 1.25 0.00 0.00 0.00 179.25 180.56 1inz h LEU 133 N 0.25 0.00 -0.03 0.00 5.85 -1.52 0.35 115.31 120.20 1inz h LEU 133 Ca 0.13 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1inz h LEU 133 Cb 0.09 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1inz h LEU 133 CO -0.12 0.03 0.00 0.18 -0.34 0.00 0.00 178.44 178.19 1inz n LEU 134 N -5.11 0.22 -2.33 2.25 4.77 -0.98 -3.48 117.00 112.34 1inz n LEU 134 Ca 0.04 0.52 -0.32 0.00 -0.03 0.00 0.00 56.01 56.22 1inz n LEU 134 Cb 0.21 -0.46 0.06 0.00 -2.33 0.00 0.00 43.42 40.89 1inz n LEU 134 CO 0.22 -0.09 1.08 -1.14 -1.33 0.00 0.00 177.39 176.12 1inz n ARG 135 N -1.71 2.97 -0.12 3.23 0.63 0.97 -4.56 116.66 118.07 1inz n ARG 135 Ca 0.06 -3.61 -0.22 0.00 -0.92 0.00 0.00 57.85 53.17 1inz n ARG 135 Cb 0.34 -2.28 -0.10 0.00 0.45 0.00 0.00 32.46 30.87 1inz n ARG 135 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1inz n ASP 136 N -0.80 1.98 -0.36 6.15 2.03 -1.13 -4.90 116.55 119.52 1inz n ASP 136 Ca 0.56 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.95 1inz n ASP 136 Cb 0.69 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 1inz n ASP 136 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1inz n GLU 137 N -3.65 0.00 -2.93 -0.67 1.02 -1.26 -4.70 120.64 108.45 1inz n GLU 137 Ca -0.45 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.55 1inz n GLU 137 Cb 0.90 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 32.31 1inz n GLU 137 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1inz n ASP 138 N -3.47 -1.88 0.07 1.62 5.75 -1.26 -4.97 116.55 112.40 1inz n ASP 138 Ca 0.00 -2.99 -0.17 0.00 -0.01 0.00 0.00 54.79 51.61 1inz n ASP 138 Cb 0.00 0.90 -0.14 0.00 -1.03 0.00 0.00 41.12 40.85 1inz n ASP 138 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1inz h ARG 139 N 4.28 0.27 -4.69 0.11 3.08 -2.04 -3.42 114.38 111.97 1inz h ARG 139 Ca -0.02 -0.46 -0.70 0.00 0.07 0.00 0.00 59.98 58.87 1inz h ARG 139 Cb 0.99 0.17 -0.20 0.00 0.08 0.00 0.00 29.97 31.01 1inz h ARG 139 CO 0.33 1.14 0.01 -0.51 -1.07 0.00 0.00 179.97 179.87 1inz s LEU 140 N -7.02 5.34 -0.36 3.04 2.01 -1.26 -4.92 118.68 115.51 1inz s LEU 140 Ca -0.09 -1.28 -0.02 0.00 0.01 0.00 0.00 54.13 52.75 1inz s LEU 140 Cb 0.07 -2.33 0.19 0.00 0.01 0.00 0.00 46.19 44.12 1inz s LEU 140 CO 0.86 -0.97 2.20 0.54 1.01 0.00 0.00 176.35 179.99 1inz n ARG 141 N 6.06 1.97 0.00 1.70 3.00 -1.26 -4.12 116.66 124.02 1inz n ARG 141 Ca -0.09 -1.81 0.00 0.00 -0.01 0.00 0.00 57.85 55.94 1inz n ARG 141 Cb 0.43 -1.76 0.00 0.00 0.00 0.00 0.00 32.46 31.13 1inz n ARG 141 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1inz n GLU 142 N 0.42 0.00 -2.22 5.56 4.07 -1.26 -5.14 120.64 122.07 1inz n GLU 142 Ca 0.36 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.46 1inz n GLU 142 Cb 0.58 -0.13 0.00 0.00 -0.06 0.00 0.00 31.44 31.82 1inz n GLU 142 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1inz n GLU 143 N -2.07 -5.53 0.00 5.31 4.07 -1.26 -5.29 120.64 115.87 1inz n GLU 143 Ca 0.00 3.94 0.15 0.00 -0.06 0.00 0.00 57.16 61.19 1inz n GLU 143 Cb 0.00 -4.52 0.79 0.00 -0.06 0.00 0.00 31.44 27.64 1inz n GLU 143 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94