#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1inz n SER -2 N 0.00 -0.34 -1.30 1.61 2.88 -1.26 -5.12 113.62 110.09 1inz n SER -2 Ca 0.00 -3.23 0.05 0.00 -1.33 0.00 0.00 58.87 54.36 1inz n SER -2 Cb 0.00 0.28 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 1inz n SER -2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1inz n SER -1 N 0.40 -7.03 0.00 -3.46 7.64 -1.26 -5.01 113.62 104.90 1inz n SER -1 Ca 0.18 1.48 0.00 0.00 1.01 0.00 0.00 58.87 61.54 1inz n SER -1 Cb 0.67 -4.21 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 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 -3.00 0.00 -1.73 1.43 5.12 -1.26 -5.08 116.66 112.14 1inz n ARG 0 Ca -0.03 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.47 1inz n ARG 0 Cb 0.47 -0.34 -0.01 0.00 -1.16 0.00 0.00 32.46 31.42 1inz n ARG 0 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 1inz n MET 1 N -1.71 2.48 0.00 5.56 1.56 -1.26 -4.84 117.12 118.91 1inz n MET 1 Ca 0.00 0.88 0.00 0.00 -0.27 0.00 0.00 57.70 58.31 1inz n MET 1 Cb 0.00 -2.60 0.00 0.00 2.15 0.00 0.00 33.22 32.77 1inz n MET 1 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1inz n SER 2 N 1.76 0.00 -4.55 6.12 7.64 -1.26 -5.14 113.62 118.19 1inz n SER 2 Ca 0.08 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.65 1inz n SER 2 Cb 0.36 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.45 1inz n SER 2 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1inz s THR 3 N 0.00 3.27 -0.30 0.44 -4.23 -1.26 -5.03 115.64 108.53 1inz s THR 3 Ca 0.00 -1.10 0.18 0.00 -1.18 0.00 0.00 61.69 59.59 1inz s THR 3 Cb 0.00 -2.46 0.47 0.00 1.34 0.00 0.00 72.50 71.85 1inz s THR 3 CO 0.00 0.26 1.23 -1.54 -0.54 0.00 0.00 174.62 174.03 1inz n SER 4 N 1.20 0.43 -0.60 3.99 3.41 -1.26 -5.11 113.62 115.68 1inz n SER 4 Ca -0.15 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.25 1inz n SER 4 Cb 0.52 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1inz n SER 4 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1inz n SER 5 N -0.79 1.79 -2.80 4.04 7.64 -1.26 -5.01 113.62 117.23 1inz n SER 5 Ca -0.00 -0.31 -0.03 0.00 1.01 0.00 0.00 58.87 59.53 1inz n SER 5 Cb 0.83 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.00 1inz n SER 5 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1inz n LEU 6 N 0.00 -5.46 -4.35 -3.43 0.00 -1.26 -4.92 117.00 97.58 1inz n LEU 6 Ca 0.00 1.74 -0.30 0.00 0.00 0.00 0.00 56.01 57.45 1inz n LEU 6 Cb 0.00 -2.52 0.28 0.00 0.00 0.00 0.00 43.42 41.18 1inz n LEU 6 CO 0.00 -3.51 0.44 -0.13 0.00 0.00 0.00 177.39 174.19 1inz s ARG 7 N -0.37 -2.38 0.00 1.96 0.52 -1.26 -5.00 118.95 112.42 1inz s ARG 7 Ca -0.16 0.34 0.00 0.00 -0.52 0.00 0.00 55.73 55.39 1inz s ARG 7 Cb 0.01 -1.42 0.00 0.00 0.52 0.00 0.00 34.95 34.06 1inz s ARG 7 CO 0.44 -4.57 0.00 -2.13 0.02 0.00 0.00 175.30 169.06 1inz n ARG 8 N -5.44 0.64 -1.59 3.54 0.63 -1.26 -5.01 116.66 108.17 1inz n ARG 8 Ca 0.09 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.61 1inz n ARG 8 Cb 0.58 -0.72 -0.03 0.00 0.45 0.00 0.00 32.46 32.74 1inz n ARG 8 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1inz n GLN 9 N -1.66 1.70 0.00 -0.14 -0.06 -1.26 -4.94 117.38 111.02 1inz n GLN 9 Ca 0.00 0.38 0.00 0.00 -2.00 0.00 0.00 57.00 55.38 1inz n GLN 9 Cb 0.22 -3.31 0.00 0.00 -4.06 0.00 0.00 30.24 23.09 1inz n GLN 9 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 1inz n MET 10 N 8.84 2.89 0.07 3.69 2.81 -1.26 -5.00 117.12 129.17 1inz n MET 10 Ca 0.32 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 56.09 1inz n MET 10 Cb 0.48 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.90 1inz n MET 10 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1inz h LYS 11 N 0.00 -0.21 0.00 0.03 1.57 -2.06 -3.48 116.57 112.42 1inz h LYS 11 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1inz h LYS 11 Cb 0.00 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1inz h LYS 11 CO 0.00 0.18 0.00 -1.71 -0.57 0.00 0.00 179.45 177.35 1inz n ASN 12 N -4.99 0.00 -4.09 0.86 2.85 -1.26 -5.19 115.26 103.45 1inz n ASN 12 Ca -0.09 -0.19 -0.18 0.00 -0.11 0.00 0.00 54.58 54.01 1inz n ASN 12 Cb 0.25 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.18 1inz n ASN 12 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1inz s ILE 13 N -2.04 0.41 0.35 -1.44 1.09 -1.26 -5.13 121.20 113.18 1inz s ILE 13 Ca 0.00 -2.00 0.09 0.00 -1.10 0.00 0.00 60.65 57.64 1inz s ILE 13 Cb 0.00 -2.54 -0.06 0.00 -1.06 0.00 0.00 42.46 38.80 1inz s ILE 13 CO 0.00 0.00 0.03 0.68 -0.10 0.00 0.00 174.94 175.55 1inz s VAL 14 N -3.62 2.52 0.34 2.92 -7.23 -1.26 -5.15 120.40 108.92 1inz s VAL 14 Ca 0.36 -1.95 0.06 0.00 -1.81 0.00 0.00 61.98 58.63 1inz s VAL 14 Cb 0.06 -2.83 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 1inz s VAL 14 CO 0.16 -0.16 0.21 1.41 -0.31 0.00 0.00 175.10 176.41 1inz n HIS 15 N -0.98 -0.38 -3.46 2.82 8.25 -1.26 -5.12 115.22 115.10 1inz n HIS 15 Ca -0.04 -2.54 -0.27 0.00 -0.26 0.00 0.00 57.72 54.61 1inz n HIS 15 Cb 0.63 0.16 -0.10 0.00 1.12 0.00 0.00 29.99 31.79 1inz n HIS 15 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1inz s ASN 16 N -3.24 1.89 0.30 0.41 0.01 -1.26 -5.12 114.94 107.94 1inz s ASN 16 Ca 0.30 -3.10 0.00 0.00 -0.71 0.00 0.00 52.86 49.34 1inz s ASN 16 Cb 0.01 -0.57 0.00 0.00 0.41 0.00 0.00 41.25 41.10 1inz s ASN 16 CO 0.21 -0.17 0.00 0.00 -1.51 0.00 0.00 177.10 175.63 1inz n TYR 17 N 2.82 -1.22 -3.02 2.20 4.11 -1.26 -4.55 117.16 116.24 1inz n TYR 17 Ca 0.28 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 58.05 1inz n TYR 17 Cb 0.46 0.00 0.06 0.00 -0.00 0.00 0.00 39.34 39.86 1inz n TYR 17 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1inz n SER 18 N -0.90 -3.50 0.00 9.48 2.88 -1.26 -4.94 113.62 115.38 1inz n SER 18 Ca 0.00 -0.52 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 1inz n SER 18 Cb 0.00 -4.17 0.00 0.00 -0.75 0.00 0.00 64.21 59.29 1inz n SER 18 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1inz n GLU 19 N -3.22 0.93 -0.14 -1.46 0.28 -1.26 -4.77 120.64 111.00 1inz n GLU 19 Ca -0.16 -0.83 -0.08 0.00 -0.16 0.00 0.00 57.16 55.93 1inz n GLU 19 Cb 0.62 -0.84 0.01 0.00 1.43 0.00 0.00 31.44 32.66 1inz n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1inz h ALA 20 N 0.00 0.55 -0.99 -1.84 0.00 -1.92 -2.35 119.26 112.72 1inz h ALA 20 Ca 0.00 -0.04 0.33 0.00 0.00 0.00 0.00 54.91 55.20 1inz h ALA 20 Cb 0.46 -0.18 -0.16 0.00 0.00 0.00 0.00 17.79 17.92 1inz h ALA 20 CO 0.00 0.02 0.49 1.05 0.00 0.00 0.00 179.25 180.81 1inz h GLU 21 N 0.58 0.20 -0.39 0.00 4.11 -1.86 0.72 114.58 117.94 1inz h GLU 21 Ca 0.16 -0.01 -0.15 0.00 0.07 0.00 0.00 59.36 59.43 1inz h GLU 21 Cb -0.04 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1inz h GLU 21 CO -0.03 0.14 -0.33 0.82 0.07 0.00 0.00 179.01 179.67 1inz h ILE 22 N 0.21 1.27 0.81 -1.06 2.04 -1.79 -2.82 117.51 116.17 1inz h ILE 22 Ca 0.73 -1.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 1inz h ILE 22 Cb 1.73 1.36 0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1inz h ILE 22 CO -0.67 0.50 -0.41 0.11 0.00 0.00 0.00 178.15 177.68 1inz h LYS 23 N 0.74 -1.07 -1.11 2.37 1.79 0.54 -2.11 116.57 117.72 1inz h LYS 23 Ca 0.07 0.07 0.31 0.00 -2.18 0.00 0.00 60.65 58.92 1inz h LYS 23 Cb 0.92 0.24 -0.07 0.00 -1.58 0.00 0.00 32.23 31.74 1inz h LYS 23 CO 0.09 -0.71 0.76 0.28 -1.08 0.00 0.00 179.45 178.78 1inz h VAL 24 N -1.11 0.45 -0.26 0.50 2.07 -1.36 0.18 116.25 116.72 1inz h VAL 24 Ca -0.11 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1inz h VAL 24 Cb 0.86 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1inz h VAL 24 CO 0.17 0.03 0.06 -0.09 0.02 0.00 0.00 177.57 177.77 1inz h ARG 25 N 0.19 0.42 0.00 1.57 2.43 -1.14 -2.31 114.38 115.54 1inz h ARG 25 Ca 0.59 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 1inz h ARG 25 Cb 1.90 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 1inz h ARG 25 CO -0.16 0.51 0.00 0.93 -1.51 0.00 0.00 179.97 179.74 1inz h GLU 26 N 0.25 0.00 0.00 0.20 5.08 -0.09 -2.97 114.58 117.05 1inz h GLU 26 Ca 0.08 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 1inz h GLU 26 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1inz h GLU 26 CO 0.00 0.00 -0.80 0.00 -1.00 0.00 0.00 179.01 177.21 1inz h ALA 27 N 2.20 0.49 -1.14 3.43 0.00 -0.66 -3.33 119.26 120.25 1inz h ALA 27 Ca 0.00 -0.73 -0.58 0.00 0.00 0.00 0.00 54.91 53.60 1inz h ALA 27 Cb 0.60 -0.13 -0.41 0.00 0.00 0.00 0.00 17.79 17.85 1inz h ALA 27 CO 0.00 1.00 -0.63 0.25 0.00 0.00 0.00 179.25 179.87 1inz n THR 28 N -3.32 2.54 -2.31 0.00 -2.24 -0.91 -4.66 114.28 103.38 1inz n THR 28 Ca 0.01 -4.52 -0.02 0.00 -2.27 0.00 0.00 64.05 57.24 1inz n THR 28 Cb 0.85 -1.21 0.03 0.00 -2.10 0.00 0.00 70.33 67.91 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 -0.60 -0.74 -3.58 3.42 2.88 -1.17 -4.86 113.62 108.97 1inz n SER 29 Ca 0.43 -1.49 -0.13 0.00 -1.33 0.00 0.00 58.87 56.34 1inz n SER 29 Cb 0.78 0.31 -0.06 0.00 -0.75 0.00 0.00 64.21 64.49 1inz n SER 29 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1inz s ASN 30 N -0.61 -0.55 0.43 -3.46 3.84 -1.26 -4.93 114.94 108.39 1inz s ASN 30 Ca 0.03 0.80 -0.22 0.00 0.21 0.00 0.00 52.86 53.68 1inz s ASN 30 Cb 0.16 0.72 -0.10 0.00 -0.55 0.00 0.00 41.25 41.49 1inz s ASN 30 CO -0.05 -0.37 1.00 -1.81 -2.79 0.00 0.00 177.10 173.08 1inz s ASP 31 N -0.58 6.75 0.16 -4.21 1.11 -1.26 -5.00 116.67 113.64 1inz s ASP 31 Ca -0.03 1.88 0.00 0.00 0.18 0.00 0.00 52.55 54.57 1inz s ASP 31 Cb -0.02 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.41 1inz s ASP 31 CO 0.03 -0.50 0.00 -0.81 1.18 0.00 0.00 175.17 175.07 1inz n PRO 32 N -0.45 0.59 -1.25 8.23 -0.04 -1.26 -4.90 135.00 135.92 1inz n PRO 32 Ca 0.07 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.69 1inz n PRO 32 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 1inz n PRO 32 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1inz n TRP 33 N -1.08 -3.25 -1.07 0.54 7.02 -1.26 -5.01 117.44 113.32 1inz n TRP 33 Ca 0.00 1.69 0.00 0.00 -1.02 0.00 0.00 57.50 58.17 1inz n TRP 33 Cb 0.00 -2.95 0.00 0.00 -2.42 0.00 0.00 31.31 25.94 1inz n TRP 33 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1inz n GLY 34 N -4.04 -2.53 0.00 6.99 0.00 -1.26 -4.92 105.19 99.43 1inz n GLY 34 Ca -0.03 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1inz n GLY 34 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1inz n PRO 35 N -0.47 2.76 -2.00 1.61 -0.02 -1.26 -4.93 135.00 130.68 1inz n PRO 35 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 1inz n PRO 35 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 1inz n PRO 35 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1inz n SER 36 N 0.00 -6.12 0.00 2.55 2.88 -1.26 -4.96 113.62 106.71 1inz n SER 36 Ca 0.00 1.24 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1inz n SER 36 Cb 0.00 -3.95 0.00 0.00 -0.75 0.00 0.00 64.21 59.51 1inz n SER 36 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1inz n SER 37 N 1.26 0.00 -3.38 -3.46 2.88 -1.26 -4.86 113.62 104.80 1inz n SER 37 Ca -0.05 0.48 -0.11 0.00 -1.33 0.00 0.00 58.87 57.86 1inz n SER 37 Cb 0.08 -0.08 -0.09 0.00 -0.75 0.00 0.00 64.21 63.38 1inz n SER 37 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1inz s SER 38 N -1.87 0.56 0.20 -3.46 0.01 -1.26 -5.00 113.70 102.87 1inz s SER 38 Ca 0.00 0.03 0.16 0.00 1.31 0.00 0.00 55.95 57.45 1inz s SER 38 Cb 0.00 0.94 -0.01 0.00 0.21 0.00 0.00 66.02 67.15 1inz s SER 38 CO 0.00 -0.31 1.21 0.25 0.41 0.00 0.00 173.24 174.79 1inz h LEU 39 N 8.21 0.00 0.16 2.44 5.85 -2.00 -3.31 115.31 126.66 1inz h LEU 39 Ca -0.18 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1inz h LEU 39 Cb 1.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1inz h LEU 39 CO 0.28 0.52 -0.08 0.24 -0.34 0.00 0.00 178.44 179.06 1inz h MET 40 N 0.00 -0.20 -0.60 1.25 2.86 -1.97 -1.93 114.93 114.34 1inz h MET 40 Ca -0.06 0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.73 1inz h MET 40 Cb 1.45 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 33.12 1inz h MET 40 CO 0.06 0.13 0.42 1.03 1.06 0.00 0.00 176.91 179.60 1inz h SER 41 N -0.56 0.20 -0.07 1.22 0.87 -2.00 -1.64 113.55 111.58 1inz h SER 41 Ca -0.02 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.47 1inz h SER 41 Cb 0.43 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1inz h SER 41 CO 0.04 0.11 -0.26 -0.33 -0.53 0.00 0.00 176.83 175.85 1inz h GLU 42 N 0.21 0.30 -0.12 2.24 5.08 -1.60 -2.58 114.58 118.11 1inz h GLU 42 Ca 0.29 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1inz h GLU 42 Cb 0.84 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1inz h GLU 42 CO -0.05 0.86 0.08 0.82 -1.00 0.00 0.00 179.01 179.72 1inz h ILE 43 N -0.21 1.02 0.07 3.13 2.04 -0.52 -2.46 117.51 120.58 1inz h ILE 43 Ca -0.01 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1inz h ILE 43 Cb 0.90 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1inz h ILE 43 CO 0.06 0.03 -0.03 0.00 0.00 0.00 0.00 178.15 178.20 1inz h ALA 44 N 1.93 -0.09 -0.08 1.87 0.00 -1.29 -2.56 119.26 119.04 1inz h ALA 44 Ca 0.05 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1inz h ALA 44 Cb 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1inz h ALA 44 CO -0.01 -0.29 0.38 0.22 0.00 0.00 0.00 179.25 179.56 1inz h ASP 45 N -0.62 0.00 0.37 0.00 1.82 -1.04 0.25 116.42 117.21 1inz h ASP 45 Ca -0.01 0.00 -0.32 0.00 -0.39 0.00 0.00 57.03 56.32 1inz h ASP 45 Cb 0.53 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.56 1inz h ASP 45 CO 0.02 0.00 -1.39 -0.07 -1.61 0.00 0.00 179.24 176.19 1inz h LEU 46 N 0.00 0.72 -0.66 2.28 3.38 -1.06 -3.29 115.31 116.67 1inz h LEU 46 Ca 0.04 -0.76 0.12 0.00 0.09 0.00 0.00 57.88 57.37 1inz h LEU 46 Cb 0.80 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.24 1inz h LEU 46 CO -0.00 1.59 0.23 0.71 0.09 0.00 0.00 178.44 181.06 1inz h THR 47 N 0.13 0.70 -0.97 0.22 1.35 -0.16 0.13 112.91 114.31 1inz h THR 47 Ca -0.21 -0.13 0.31 0.00 -0.55 0.00 0.00 66.41 65.82 1inz h THR 47 Cb 2.09 0.27 -0.16 0.00 -1.73 0.00 0.00 68.15 68.63 1inz h THR 47 CO 0.25 0.07 0.41 1.88 -0.25 0.00 0.00 175.52 177.88 1inz h TYR 48 N 0.39 0.64 -1.04 4.73 0.05 -1.61 -3.24 116.97 116.89 1inz h TYR 48 Ca 0.35 0.05 -0.42 0.00 0.05 0.00 0.00 58.73 58.75 1inz h TYR 48 Cb 0.49 -0.12 -0.07 0.00 1.01 0.00 0.00 36.73 38.04 1inz h TYR 48 CO -0.19 -0.27 1.05 -0.80 -1.05 0.00 0.00 178.16 176.90 1inz s ASN 49 N -4.89 5.63 0.00 3.88 -0.87 0.44 -4.85 114.94 114.29 1inz s ASN 49 Ca -0.11 -0.82 0.00 0.00 -1.57 0.00 0.00 52.86 50.37 1inz s ASN 49 Cb 0.30 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.97 1inz s ASN 49 CO 0.78 -2.28 0.00 1.33 -2.57 0.00 0.00 177.10 174.36 1inz n VAL 50 N 7.43 0.00 0.17 1.60 0.24 -1.22 0.11 118.33 126.66 1inz n VAL 50 Ca 0.34 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.58 1inz n VAL 50 Cb 0.49 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.83 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 -0.78 3.34 2.07 -1.88 -3.18 116.25 115.82 1inz h VAL 51 Ca 0.00 -0.11 0.22 0.00 0.82 0.00 0.00 66.70 67.63 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 0.02 0.00 0.02 0.00 0.00 177.57 177.61 1inz n ALA 52 N -2.30 0.40 0.20 1.67 0.00 0.31 0.13 120.51 120.92 1inz n ALA 52 Ca -0.05 0.84 -0.15 0.00 0.00 0.00 0.00 53.44 54.07 1inz n ALA 52 Cb 0.17 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.99 -0.98 0.00 3.57 -1.38 -0.00 116.94 117.15 1inz h PHE 53 Ca 0.47 0.01 0.18 0.00 3.53 0.00 0.00 57.97 62.16 1inz h PHE 53 Cb 0.98 0.40 -0.09 0.00 2.79 0.00 0.00 35.95 40.02 1inz h PHE 53 CO -0.40 -0.50 0.61 0.66 -2.23 0.00 0.00 178.31 176.46 1inz h SER 54 N -0.71 0.74 0.52 0.41 4.64 -0.29 0.22 113.55 119.07 1inz h SER 54 Ca -0.01 0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 61.28 1inz h SER 54 Cb 0.66 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1inz h SER 54 CO -0.10 0.30 -0.49 -0.33 -0.87 0.00 0.00 176.83 175.33 1inz h GLU 55 N 0.74 0.00 0.00 4.77 4.39 -0.74 -2.33 114.58 121.41 1inz h GLU 55 Ca 0.54 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.24 1inz h GLU 55 Cb 0.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1inz h GLU 55 CO -0.31 0.49 0.00 -0.89 -1.16 0.00 0.00 179.01 177.14 1inz n ILE 56 N -3.91 0.00 -0.36 3.13 5.41 0.65 -3.12 119.36 121.17 1inz n ILE 56 Ca -0.01 0.61 0.29 0.00 1.00 0.00 0.00 62.75 64.64 1inz n ILE 56 Cb 0.51 -1.58 0.60 0.00 -0.71 0.00 0.00 39.64 38.46 1inz n ILE 56 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1inz h MET 57 N 0.00 0.22 0.61 0.38 4.05 -1.39 -1.11 114.93 117.69 1inz h MET 57 Ca 0.00 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1inz h MET 57 Cb 0.00 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1inz h MET 57 CO 0.00 0.15 -0.41 1.03 0.23 0.00 0.00 176.91 177.90 1inz h SER 58 N 0.23 -1.06 -0.12 1.39 0.87 -1.52 -0.01 113.55 113.33 1inz h SER 58 Ca 0.64 0.07 0.03 0.00 -1.23 0.00 0.00 61.79 61.30 1inz h SER 58 Cb 1.96 0.32 -0.00 0.00 -0.44 0.00 0.00 62.40 64.23 1inz h SER 58 CO -0.24 -0.61 0.12 0.24 -0.53 0.00 0.00 176.83 175.80 1inz h MET 59 N -0.97 0.00 -0.03 2.24 2.86 -1.18 0.18 114.93 118.03 1inz h MET 59 Ca -0.08 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 1inz h MET 59 Cb 0.79 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1inz h MET 59 CO 0.06 0.00 -0.58 0.82 1.06 0.00 0.00 176.91 178.27 1inz h ILE 60 N 0.00 1.40 0.07 -1.22 2.04 -0.43 -2.94 117.51 116.43 1inz h ILE 60 Ca 0.06 -1.96 -0.21 0.00 1.00 0.00 0.00 64.86 63.74 1inz h ILE 60 Cb 0.29 2.03 0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1inz h ILE 60 CO -0.00 0.57 -0.86 -0.50 0.00 0.00 0.00 178.15 177.36 1inz h TRP 61 N 0.07 0.73 0.85 1.37 -0.00 0.92 -2.69 115.95 117.21 1inz h TRP 61 Ca -0.00 -0.45 -0.04 0.00 -0.00 0.00 0.00 58.89 58.40 1inz h TRP 61 Cb 1.04 -0.06 0.00 0.00 -0.00 0.00 0.00 29.16 30.14 1inz h TRP 61 CO 0.01 1.30 -0.47 0.87 -0.00 0.00 0.00 178.44 180.14 1inz h LYS 62 N -0.04 -1.18 0.00 0.49 6.56 -1.45 -2.07 116.57 118.88 1inz h LYS 62 Ca -0.13 0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1inz h LYS 62 Cb 1.59 0.27 0.00 0.00 -0.57 0.00 0.00 32.23 33.52 1inz h LYS 62 CO 0.17 -0.79 0.00 0.54 -2.06 0.00 0.00 179.45 177.31 1inz n ARG 63 N -5.47 0.11 0.09 3.15 1.74 -1.11 -1.79 116.66 113.37 1inz n ARG 63 Ca -0.15 0.46 0.12 0.00 -0.77 0.00 0.00 57.85 57.51 1inz n ARG 63 Cb 0.50 -1.76 0.45 0.00 -1.02 0.00 0.00 32.46 30.63 1inz n ARG 63 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1inz n LEU 64 N -1.98 0.54 -2.14 0.55 4.77 -0.79 -3.21 117.00 114.75 1inz n LEU 64 Ca 0.01 0.59 -0.29 0.00 -0.03 0.00 0.00 56.01 56.29 1inz n LEU 64 Cb 0.12 -0.46 0.07 0.00 -2.33 0.00 0.00 43.42 40.82 1inz n LEU 64 CO 0.12 -0.30 0.93 -3.20 -1.33 0.00 0.00 177.39 173.61 1inz n ASN 65 N -2.05 6.19 -4.61 -1.43 2.85 -0.74 -4.82 115.26 110.65 1inz n ASN 65 Ca 0.04 -3.77 -0.46 0.00 -0.11 0.00 0.00 54.58 50.28 1inz n ASN 65 Cb 0.31 -0.71 -0.03 0.00 1.24 0.00 0.00 39.78 40.59 1inz n ASN 65 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1inz n ASP 66 N -0.86 1.78 -3.02 1.20 8.00 -1.20 -4.93 116.55 117.52 1inz n ASP 66 Ca 0.54 1.16 0.00 0.00 0.71 0.00 0.00 54.79 57.20 1inz n ASP 66 Cb 0.84 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 1inz n ASP 66 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1inz n HIS 67 N 1.15 -1.27 -1.67 1.24 8.25 -1.26 -4.71 115.22 116.96 1inz n HIS 67 Ca 0.12 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.20 1inz n HIS 67 Cb 0.29 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 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 4.72 0.00 -1.41 0.00 -1.26 -4.42 105.19 102.82 1inz n GLY 68 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1inz n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1inz n LYS 69 N 2.38 0.00 -2.32 1.61 5.02 -1.26 -4.99 118.16 118.60 1inz n LYS 69 Ca 0.67 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.53 1inz n LYS 69 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 1inz n LYS 69 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1inz n ASN 70 N -0.81 4.72 0.10 4.39 4.05 -1.26 -4.71 115.26 121.74 1inz n ASN 70 Ca 0.00 -2.97 0.11 0.00 0.45 0.00 0.00 54.58 52.18 1inz n ASN 70 Cb 0.00 -1.60 0.45 0.00 1.23 0.00 0.00 39.78 39.86 1inz n ASN 70 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 177.26 171.54 1inz n TRP 71 N 5.77 0.65 -0.29 1.20 4.27 -1.26 -3.23 117.44 124.55 1inz n TRP 71 Ca 0.45 0.24 0.09 0.00 -3.89 0.00 0.00 57.50 54.39 1inz n TRP 71 Cb 0.40 -0.89 0.24 0.00 -1.36 0.00 0.00 31.31 29.70 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 0.50 -0.99 -2.67 3.08 -1.97 0.19 114.38 112.52 1inz h ARG 72 Ca 0.00 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.14 1inz h ARG 72 Cb 0.39 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.24 1inz h ARG 72 CO 0.00 0.33 0.63 0.45 -1.07 0.00 0.00 179.97 180.31 1inz h HIS 73 N 0.51 1.11 0.13 3.04 3.86 -1.87 -1.80 115.15 120.13 1inz h HIS 73 Ca 0.48 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.72 1inz h HIS 73 Cb 0.78 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1inz h HIS 73 CO -0.12 0.43 -0.06 0.28 0.86 0.00 0.00 177.93 179.32 1inz h VAL 74 N 0.96 0.90 -0.69 2.45 2.07 -0.70 -0.77 116.25 120.47 1inz h VAL 74 Ca 0.49 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 68.01 1inz h VAL 74 Cb 0.52 0.94 -0.09 0.00 -1.52 0.00 0.00 31.29 31.14 1inz h VAL 74 CO -0.26 0.02 -0.49 0.22 0.02 0.00 0.00 177.57 177.08 1inz h TYR 75 N -0.20 -1.56 0.00 1.57 3.20 -1.06 0.69 116.97 119.61 1inz h TYR 75 Ca -0.02 0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1inz h TYR 75 Cb 0.16 0.77 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 1inz h TYR 75 CO -0.06 -0.34 -0.14 0.87 -1.64 0.00 0.00 178.16 176.85 1inz h LYS 76 N -0.10 0.00 0.00 1.82 1.79 -1.46 -2.62 116.57 116.00 1inz h LYS 76 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1inz h LYS 76 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1inz h LYS 76 CO -0.71 0.14 0.00 0.00 -1.08 0.00 0.00 179.45 177.80 1inz n ALA 77 N -2.47 -0.45 -0.02 3.86 0.00 0.23 -1.64 120.51 120.01 1inz n ALA 77 Ca -0.02 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.65 1inz n ALA 77 Cb 0.21 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.36 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 -0.16 0.00 -0.00 -1.18 0.77 114.93 114.35 1inz h MET 78 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.67 1inz h MET 78 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1inz h MET 78 CO 0.00 0.00 -0.01 1.15 -0.00 0.00 0.00 176.91 178.05 1inz h THR 79 N 0.00 1.27 0.00 -0.10 2.02 -1.13 -1.88 112.91 113.09 1inz h THR 79 Ca 0.30 -0.90 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1inz h THR 79 Cb 1.52 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 1inz h THR 79 CO -0.00 0.27 -0.20 0.25 0.37 0.00 0.00 175.52 176.20 1inz h LEU 80 N 0.02 0.00 -0.53 2.58 5.85 0.10 -2.12 115.31 121.22 1inz h LEU 80 Ca 0.04 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 1inz h LEU 80 Cb 0.41 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1inz h LEU 80 CO 0.01 0.20 -0.60 -0.03 -0.34 0.00 0.00 178.44 177.68 1inz h MET 81 N 0.00 0.45 0.30 1.25 4.05 -1.17 -2.56 114.93 117.25 1inz h MET 81 Ca -0.00 -0.31 -0.01 0.00 -0.28 0.00 0.00 59.70 59.10 1inz h MET 81 Cb 0.37 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1inz h MET 81 CO 0.03 0.92 -0.14 1.49 0.23 0.00 0.00 176.91 179.43 1inz h GLU 82 N 0.33 -0.39 -0.69 0.39 4.81 -0.73 -0.64 114.58 117.68 1inz h GLU 82 Ca -0.00 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.37 1inz h GLU 82 Cb 1.14 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.53 1inz h GLU 82 CO 0.11 -0.06 0.26 -0.92 -0.73 0.00 0.00 179.01 177.66 1inz h TYR 83 N -0.94 0.45 0.00 0.92 5.03 -1.49 -0.90 116.97 120.03 1inz h TYR 83 Ca -0.04 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.17 1inz h TYR 83 Cb 0.50 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.67 1inz h TYR 83 CO 0.04 0.08 -0.63 -0.07 -1.32 0.00 0.00 178.16 176.26 1inz h LEU 84 N 0.42 0.00 -1.21 2.82 3.38 -1.51 -2.78 115.31 116.44 1inz h LEU 84 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1inz h LEU 84 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1inz h LEU 84 CO -0.36 0.63 0.00 -0.38 0.09 0.00 0.00 178.44 178.42 1inz n ILE 85 N -3.74 1.11 0.00 1.22 5.41 -0.25 0.54 119.36 123.65 1inz n ILE 85 Ca -0.01 0.66 0.00 0.00 1.00 0.00 0.00 62.75 64.40 1inz n ILE 85 Cb 0.63 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.92 1inz n ILE 85 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1inz n LYS 86 N -2.18 0.00 -0.01 0.38 5.02 -1.07 -4.33 118.16 115.97 1inz n LYS 86 Ca -0.01 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1inz n LYS 86 Cb 0.05 -0.07 0.61 0.00 -0.02 0.00 0.00 35.03 35.60 1inz n LYS 86 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1inz n THR 87 N -1.59 0.04 -0.50 -0.18 5.66 -1.09 -3.64 114.28 112.98 1inz n THR 87 Ca 0.00 -0.08 -0.16 0.00 -3.05 0.00 0.00 64.05 60.76 1inz n THR 87 Cb 0.00 -0.16 0.12 0.00 -1.55 0.00 0.00 70.33 68.74 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 0.93 3.68 0.35 1.09 0.00 0.19 -4.51 105.19 106.92 1inz n GLY 88 Ca 0.17 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.60 -1.99 0.00 1.61 2.88 -1.24 -3.84 113.62 110.44 1inz n SER 89 Ca 0.40 0.40 0.02 0.00 -1.33 0.00 0.00 58.87 58.36 1inz n SER 89 Cb 1.29 -0.34 0.10 0.00 -0.75 0.00 0.00 64.21 64.51 1inz n SER 89 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1inz n GLU 90 N -1.64 0.00 -0.06 -1.46 1.02 -1.26 -2.25 120.64 115.00 1inz n GLU 90 Ca 0.00 0.41 -0.15 0.00 -0.02 0.00 0.00 57.16 57.40 1inz n GLU 90 Cb 0.09 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 1inz n GLU 90 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1inz h ARG 91 N 0.00 0.61 -0.57 3.49 3.08 -1.93 -1.95 114.38 117.10 1inz h ARG 91 Ca 0.00 -0.39 0.11 0.00 0.07 0.00 0.00 59.98 59.77 1inz h ARG 91 Cb 0.08 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1inz h ARG 91 CO 0.00 1.01 0.39 0.28 -1.07 0.00 0.00 179.97 180.58 1inz h VAL 92 N 0.28 0.86 0.20 2.04 2.07 -1.55 -1.92 116.25 118.22 1inz h VAL 92 Ca 0.01 -0.11 -0.29 0.00 0.82 0.00 0.00 66.70 67.13 1inz h VAL 92 Cb 0.99 0.52 0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1inz h VAL 92 CO 0.09 0.06 -1.32 -1.28 0.02 0.00 0.00 177.57 175.13 1inz h SER 93 N 0.31 0.65 0.08 0.57 0.87 -1.67 -3.18 113.55 111.18 1inz h SER 93 Ca 0.27 -0.93 0.02 0.00 -1.23 0.00 0.00 61.79 59.93 1inz h SER 93 Cb 0.64 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 1inz h SER 93 CO -0.06 1.62 -0.25 1.56 -0.53 0.00 0.00 176.83 179.17 1inz h GLN 94 N -0.07 -0.42 -0.98 2.24 1.08 -0.68 -1.20 115.11 115.09 1inz h GLN 94 Ca -0.24 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.12 1inz h GLN 94 Cb 1.96 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 29.40 1inz h GLN 94 CO 0.20 -0.28 0.62 0.37 -0.95 0.00 0.00 178.83 178.79 1inz h GLN 95 N -0.43 0.89 -0.78 1.46 4.15 -1.52 0.07 115.11 118.96 1inz h GLN 95 Ca 0.04 -0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.50 1inz h GLN 95 Cb 0.48 -0.20 -0.07 0.00 0.21 0.00 0.00 27.48 27.90 1inz h GLN 95 CO -0.17 0.59 0.43 0.00 -1.93 0.00 0.00 178.83 177.75 1inz h LYS 97 N 0.73 0.12 0.00 0.00 1.57 -0.44 -1.90 116.57 116.65 1inz h LYS 97 Ca 0.37 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1inz h LYS 97 Cb 0.34 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1inz h LYS 97 CO -0.24 0.49 0.00 0.93 -0.57 0.00 0.00 179.45 180.06 1inz h GLU 98 N 0.11 0.00 -0.77 3.15 5.08 -0.15 -3.22 114.58 118.78 1inz h GLU 98 Ca 0.01 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.85 1inz h GLU 98 Cb 0.73 0.00 -0.43 0.00 0.50 0.00 0.00 28.75 29.55 1inz h GLU 98 CO 0.05 0.00 -0.85 0.09 -1.00 0.00 0.00 179.01 177.31 1inz n ASN 99 N -3.07 4.57 0.27 1.42 4.13 0.05 -4.80 115.26 117.82 1inz n ASN 99 Ca 0.03 -3.57 0.18 0.00 1.68 0.00 0.00 54.58 52.89 1inz n ASN 99 Cb 0.43 -0.36 0.91 0.00 -1.54 0.00 0.00 39.78 39.21 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 2.25 0.00 0.01 3.52 -0.00 -1.38 0.41 114.93 119.74 1inz h MET 100 Ca 0.31 0.00 -0.20 0.00 -0.00 0.00 0.00 59.70 59.82 1inz h MET 100 Cb 1.47 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.06 1inz h MET 100 CO 0.71 0.00 -0.89 1.88 -0.00 0.00 0.00 176.91 178.60 1inz h TYR 101 N 0.00 0.24 -0.08 -0.10 -1.99 -1.87 -1.39 116.97 111.77 1inz h TYR 101 Ca 0.05 -0.14 -0.24 0.00 2.00 0.00 0.00 58.73 60.40 1inz h TYR 101 Cb 0.48 -0.02 0.01 0.00 2.00 0.00 0.00 36.73 39.20 1inz h TYR 101 CO 0.00 0.97 -0.89 0.00 -0.00 0.00 0.00 178.16 178.24 1inz h ALA 102 N 0.99 0.26 -0.08 3.88 0.00 -1.31 -0.51 119.26 122.50 1inz h ALA 102 Ca -0.04 -0.64 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 1inz h ALA 102 Cb 1.54 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.35 1inz h ALA 102 CO 0.13 0.70 -0.66 -0.24 0.00 0.00 0.00 179.25 179.18 1inz h VAL 103 N 0.46 1.35 0.00 0.00 3.04 -1.53 -3.12 116.25 116.45 1inz h VAL 103 Ca -0.08 -1.97 -0.00 0.00 -1.01 0.00 0.00 66.70 63.64 1inz h VAL 103 Cb 1.52 2.25 -0.00 0.00 -2.01 0.00 0.00 31.29 33.06 1inz h VAL 103 CO 0.18 0.60 -0.01 1.56 -1.01 0.00 0.00 177.57 178.88 1inz h GLN 104 N 0.21 0.00 -0.55 4.17 4.20 -1.30 -3.07 115.11 118.76 1inz h GLN 104 Ca -0.06 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.81 1inz h GLN 104 Cb 1.32 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 1inz h GLN 104 CO 0.13 0.01 0.45 0.00 -0.67 0.00 0.00 178.83 178.76 1inz h THR 105 N 0.00 0.55 -0.13 -0.54 1.03 -1.01 0.14 112.91 112.94 1inz h THR 105 Ca -0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 66.41 66.24 1inz h THR 105 Cb 0.60 0.67 -0.01 0.00 -1.07 0.00 0.00 68.15 68.34 1inz h THR 105 CO 0.00 0.00 -0.61 -0.07 -0.01 0.00 0.00 175.52 174.83 1inz h LEU 106 N 0.00 0.52 -2.04 0.00 3.38 -1.71 -1.67 115.31 113.79 1inz h LEU 106 Ca 0.26 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1inz h LEU 106 Cb 1.17 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1inz h LEU 106 CO -0.00 1.01 0.38 0.50 0.09 0.00 0.00 178.44 180.41 1inz h LYS 107 N 0.34 0.00 -0.00 1.13 3.64 -0.91 0.27 116.57 121.04 1inz h LYS 107 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1inz h LYS 107 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1inz h LYS 107 CO 0.11 0.00 -0.53 -3.47 -2.27 0.00 0.00 179.45 173.28 1inz n ASP 108 N -3.77 0.63 -4.55 4.20 2.03 -1.11 -4.91 116.55 109.07 1inz n ASP 108 Ca 0.06 -0.81 -0.39 0.00 0.52 0.00 0.00 54.79 54.17 1inz n ASP 108 Cb 0.54 0.96 -0.03 0.00 -0.72 0.00 0.00 41.12 41.87 1inz n ASP 108 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1inz s PHE 109 N -2.07 1.58 0.14 -0.67 5.36 0.08 -4.93 117.98 117.47 1inz s PHE 109 Ca 0.05 0.89 0.01 0.00 -0.96 0.00 0.00 56.93 56.92 1inz s PHE 109 Cb 0.09 -4.01 -0.04 0.00 -0.34 0.00 0.00 43.02 38.71 1inz s PHE 109 CO 0.47 -2.41 -0.01 -0.65 -1.46 0.00 0.00 175.22 171.17 1inz s GLN 110 N 7.10 0.98 -0.30 10.12 -0.21 -1.26 -4.68 119.66 131.41 1inz s GLN 110 Ca 0.73 -1.45 -0.16 0.00 0.02 0.00 0.00 55.36 54.50 1inz s GLN 110 Cb -0.14 -0.13 0.17 0.00 1.00 0.00 0.00 33.01 33.91 1inz s GLN 110 CO 0.23 -0.13 1.06 -0.47 -2.12 0.00 0.00 175.29 173.86 1inz s TYR 111 N -3.74 -0.53 -0.46 0.91 6.14 -1.26 -5.00 117.35 113.42 1inz s TYR 111 Ca 0.20 0.84 0.07 0.00 0.64 0.00 0.00 57.07 58.82 1inz s TYR 111 Cb 0.06 0.29 0.23 0.00 0.42 0.00 0.00 41.96 42.96 1inz s TYR 111 CO 0.01 -0.27 0.70 0.28 0.64 0.00 0.00 175.55 176.91 1inz n VAL 112 N 4.97 -0.34 0.02 3.14 0.31 -1.26 -4.76 118.33 120.41 1inz n VAL 112 Ca -0.08 -2.39 0.00 0.00 -0.01 0.00 0.00 64.34 61.86 1inz n VAL 112 Cb 0.53 0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 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 1.88 0.31 -0.17 4.52 8.00 -1.26 -4.07 116.55 125.77 1inz n ASP 113 Ca 0.16 0.05 -0.01 0.00 0.71 0.00 0.00 54.79 55.70 1inz n ASP 113 Cb 0.57 -0.09 0.07 0.00 -0.02 0.00 0.00 41.12 41.66 1inz n ASP 113 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1inz h ARG 114 N 0.00 0.15 0.12 -1.24 -0.00 -2.01 -2.95 114.38 108.46 1inz h ARG 114 Ca 0.00 -0.01 -0.30 0.00 -0.00 0.00 0.00 59.98 59.67 1inz h ARG 114 Cb 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.97 29.93 1inz h ARG 114 CO 0.00 0.10 -1.53 -0.44 -0.00 0.00 0.00 179.97 178.10 1inz h ASP 115 N 0.15 0.41 0.00 0.08 5.19 -1.95 -3.47 116.42 116.83 1inz h ASP 115 Ca 0.27 -0.87 0.00 0.00 -0.62 0.00 0.00 57.03 55.81 1inz h ASP 115 Cb 0.40 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1inz h ASP 115 CO -0.41 1.67 0.00 0.61 -3.12 0.00 0.00 179.24 177.99 1inz n GLY 116 N 1.78 0.63 3.46 2.75 0.00 -1.12 -5.00 105.19 107.69 1inz n GLY 116 Ca -0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1inz n GLY 116 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1inz s LYS 117 N -0.14 3.64 -0.78 1.61 2.20 -1.26 -4.96 119.74 120.04 1inz s LYS 117 Ca 0.00 -0.51 -0.25 0.00 -0.36 0.00 0.00 55.97 54.85 1inz s LYS 117 Cb 0.00 -3.09 -0.07 0.00 -1.51 0.00 0.00 37.83 33.16 1inz s LYS 117 CO 0.00 0.02 2.09 -0.51 -0.36 0.00 0.00 175.35 176.59 1inz s ASP 118 N 0.98 4.78 0.00 1.43 1.01 -1.26 -4.57 116.67 119.04 1inz s ASP 118 Ca 0.02 -0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.14 1inz s ASP 118 Cb -0.14 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1inz s ASP 118 CO 0.02 -2.98 0.35 0.00 0.21 0.00 0.00 175.17 172.78 1inz n GLN 119 N 8.92 -0.59 -0.93 8.23 10.64 -1.26 -4.69 117.38 137.71 1inz n GLN 119 Ca 0.38 -0.36 -0.07 0.00 -1.83 0.00 0.00 57.00 55.11 1inz n GLN 119 Cb 0.48 -0.84 0.25 0.00 -0.86 0.00 0.00 30.24 29.27 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 -0.01 4.19 0.13 2.61 0.00 -1.26 -4.48 105.19 106.37 1inz n GLY 120 Ca 0.00 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 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 1.79 0.83 -1.56 1.61 3.04 -1.93 -3.35 116.25 116.68 1inz h VAL 121 Ca 0.29 -2.36 0.45 0.00 -1.01 0.00 0.00 66.70 64.08 1inz h VAL 121 Cb 2.16 2.56 -0.06 0.00 -2.01 0.00 0.00 31.29 33.93 1inz h VAL 121 CO 0.66 0.75 1.21 0.59 -1.01 0.00 0.00 177.57 179.77 1inz n ASN 122 N -3.77 0.00 -0.03 3.17 4.13 -1.26 -1.20 115.26 116.30 1inz n ASN 122 Ca -0.29 0.82 -0.01 0.00 1.68 0.00 0.00 54.58 56.78 1inz n ASN 122 Cb 0.95 -0.39 -0.00 0.00 -1.54 0.00 0.00 39.78 38.80 1inz n ASN 122 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1inz h VAL 123 N 0.00 0.00 -1.35 2.41 2.07 -1.91 -2.76 116.25 114.70 1inz h VAL 123 Ca 0.74 -0.53 0.47 0.00 0.82 0.00 0.00 66.70 68.20 1inz h VAL 123 Cb 3.16 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 32.79 1inz h VAL 123 CO -0.01 0.00 0.86 -0.09 0.02 0.00 0.00 177.57 178.35 1inz h ARG 124 N -0.53 0.03 0.00 1.57 1.12 -1.29 0.06 114.38 115.33 1inz h ARG 124 Ca 0.00 -0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.84 1inz h ARG 124 Cb 0.14 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.09 1inz h ARG 124 CO 0.00 0.02 -0.17 0.93 -3.11 0.00 0.00 179.97 177.64 1inz h GLU 125 N 0.03 0.00 0.15 0.20 4.39 -1.49 -2.95 114.58 114.90 1inz h GLU 125 Ca 0.87 0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.58 1inz h GLU 125 Cb 2.75 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 31.36 1inz h GLU 125 CO -0.47 0.92 -0.38 -0.22 -1.16 0.00 0.00 179.01 177.70 1inz h LYS 126 N -1.00 -0.61 -0.91 2.33 1.63 -0.73 -1.43 116.57 115.85 1inz h LYS 126 Ca -0.04 0.04 0.13 0.00 -0.85 0.00 0.00 60.65 59.92 1inz h LYS 126 Cb 0.96 0.14 -0.09 0.00 -0.60 0.00 0.00 32.23 32.65 1inz h LYS 126 CO -0.03 -0.41 0.53 0.00 -3.45 0.00 0.00 179.45 176.10 1inz h ALA 127 N -0.10 1.37 -0.97 5.00 0.00 -1.36 -0.52 119.26 122.69 1inz h ALA 127 Ca 0.02 0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.17 1inz h ALA 127 Cb 0.65 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.21 1inz h ALA 127 CO -0.20 0.08 0.56 -0.22 0.00 0.00 0.00 179.25 179.46 1inz h LYS 128 N 0.82 0.67 0.23 0.00 3.11 -1.08 -1.69 116.57 118.63 1inz h LYS 128 Ca 0.47 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 58.26 1inz h LYS 128 Cb 0.54 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1inz h LYS 128 CO -0.30 0.44 -0.11 1.96 -2.81 0.00 0.00 179.45 178.63 1inz h GLN 129 N 0.69 -0.30 -1.11 1.90 1.08 -0.74 -1.81 115.11 114.81 1inz h GLN 129 Ca 0.57 0.02 0.31 0.00 -1.45 0.00 0.00 58.65 58.10 1inz h GLN 129 Cb 0.91 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 28.35 1inz h GLN 129 CO -0.40 -0.02 0.78 1.25 -0.95 0.00 0.00 178.83 179.48 1inz h LEU 130 N -0.58 0.14 0.03 1.46 5.85 -1.18 0.42 115.31 121.46 1inz h LEU 130 Ca -0.03 0.03 -0.26 0.00 0.84 0.00 0.00 57.88 58.46 1inz h LEU 130 Cb 0.42 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1inz h LEU 130 CO 0.05 0.02 -1.15 0.58 -0.34 0.00 0.00 178.44 177.61 1inz h VAL 131 N 0.12 1.47 0.21 1.05 2.07 -1.08 -2.28 116.25 117.81 1inz h VAL 131 Ca 0.56 -2.88 -0.01 0.00 0.82 0.00 0.00 66.70 65.19 1inz h VAL 131 Cb 1.99 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 34.54 1inz h VAL 131 CO -0.10 0.85 -0.10 0.00 0.02 0.00 0.00 177.57 178.23 1inz h ALA 132 N 0.64 -0.28 -0.33 1.67 0.00 0.67 -2.79 119.26 118.83 1inz h ALA 132 Ca -0.12 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1inz h ALA 132 Cb 1.85 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1inz h ALA 132 CO 0.19 -0.54 0.00 -0.07 0.00 0.00 0.00 179.25 178.83 1inz h LEU 133 N -0.52 0.58 -0.58 0.00 3.38 -1.44 -3.14 115.31 113.58 1inz h LEU 133 Ca -0.03 -0.31 0.11 0.00 0.09 0.00 0.00 57.88 57.74 1inz h LEU 133 Cb 0.39 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 40.87 1inz h LEU 133 CO 0.05 0.74 -0.28 -0.07 0.09 0.00 0.00 178.44 178.97 1inz h LEU 134 N 0.39 -0.98 -5.20 1.67 3.38 -1.41 -1.06 115.31 112.10 1inz h LEU 134 Ca 0.09 0.21 -0.66 0.00 0.09 0.00 0.00 57.88 57.61 1inz h LEU 134 Cb 0.45 0.51 -0.19 0.00 0.09 0.00 0.00 40.66 41.52 1inz h LEU 134 CO 0.02 -0.28 1.21 -1.14 0.09 0.00 0.00 178.44 178.34 1inz n ARG 135 N -5.44 3.58 0.14 1.13 0.63 -1.06 -4.52 116.66 111.13 1inz n ARG 135 Ca 0.05 -3.22 0.12 0.00 -0.92 0.00 0.00 57.85 53.88 1inz n ARG 135 Cb 0.35 -2.36 0.11 0.00 0.45 0.00 0.00 32.46 31.01 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 3.66 0.00 -4.08 6.15 5.19 -1.23 -3.47 116.42 122.64 1inz h ASP 136 Ca 0.54 -0.03 -0.53 0.00 -0.62 0.00 0.00 57.03 56.39 1inz h ASP 136 Cb 0.42 0.00 0.12 0.00 0.18 0.00 0.00 39.33 40.04 1inz h ASP 136 CO 1.20 0.02 0.50 -1.61 -3.12 0.00 0.00 179.24 176.22 1inz s GLU 137 N -3.26 3.03 -0.37 3.56 0.41 -1.26 -5.01 118.70 115.79 1inz s GLU 137 Ca 0.04 1.90 0.03 0.00 -0.41 0.00 0.00 54.97 56.53 1inz s GLU 137 Cb 0.09 -2.01 0.15 0.00 -1.78 0.00 0.00 34.13 30.58 1inz s GLU 137 CO 0.72 -1.18 0.36 0.34 -0.49 0.00 0.00 175.26 175.02 1inz s ASP 138 N -1.47 1.31 0.00 -0.19 -1.08 -1.26 -5.12 116.67 108.85 1inz s ASP 138 Ca 0.76 -1.62 0.00 0.00 -0.52 0.00 0.00 52.55 51.17 1inz s ASP 138 Cb -0.32 0.49 0.00 0.00 -1.46 0.00 0.00 42.92 41.63 1inz s ASP 138 CO 0.36 -0.26 0.00 -1.14 0.52 0.00 0.00 175.17 174.64 1inz n ARG 139 N 4.24 0.00 -3.93 4.34 3.00 -1.26 -4.54 116.66 118.51 1inz n ARG 139 Ca 0.11 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.66 1inz n ARG 139 Cb 0.45 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.75 1inz n ARG 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1inz s LEU 140 N 0.00 2.16 0.12 6.15 1.02 -1.26 -5.01 118.68 121.86 1inz s LEU 140 Ca 0.00 -0.94 -0.16 0.00 0.02 0.00 0.00 54.13 53.05 1inz s LEU 140 Cb 0.00 -1.10 -0.03 0.00 0.02 0.00 0.00 46.19 45.08 1inz s LEU 140 CO 0.00 -0.20 1.61 0.03 0.02 0.00 0.00 176.35 177.81 1inz h ARG 141 N 8.02 0.57 -5.91 1.70 3.08 -2.07 -3.48 114.38 116.29 1inz h ARG 141 Ca -0.22 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.57 1inz h ARG 141 Cb 1.09 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 31.08 1inz h ARG 141 CO 0.42 0.62 -0.95 0.39 -1.07 0.00 0.00 179.97 179.39 1inz n GLU 142 N -4.60 -1.95 -0.60 0.04 -0.58 -1.26 -4.92 120.64 106.76 1inz n GLU 142 Ca -0.01 1.72 0.05 0.00 -0.42 0.00 0.00 57.16 58.50 1inz n GLU 142 Cb 0.20 -3.35 0.21 0.00 -0.57 0.00 0.00 31.44 27.93 1inz n GLU 142 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1inz n GLU 143 N 0.34 1.60 0.00 3.49 2.13 -1.26 -5.34 120.64 121.59 1inz n GLU 143 Ca 0.00 -3.28 0.00 0.00 0.66 0.00 0.00 57.16 54.54 1inz n GLU 143 Cb 0.45 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 30.53 1inz n GLU 143 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26