#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 1.97 -2.03 1.61 2.88 -1.26 -4.89 113.62 111.90 1inz n SER -2 Ca 0.00 -3.20 -0.20 0.00 -1.33 0.00 0.00 58.87 54.14 1inz n SER -2 Cb 0.00 -0.61 0.15 0.00 -0.75 0.00 0.00 64.21 63.01 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 0.25 3.64 -3.14 -3.46 7.64 -1.26 -4.94 113.62 112.35 1inz n SER -1 Ca 0.27 -3.35 0.00 0.00 1.01 0.00 0.00 58.87 56.80 1inz n SER -1 Cb 0.56 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1inz n SER -1 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1inz n ARG 0 N -0.87 1.23 -0.00 1.43 0.63 -1.26 -4.98 116.66 112.83 1inz n ARG 0 Ca 0.50 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 57.37 1inz n ARG 0 Cb 1.49 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 34.27 1inz n ARG 0 CO 0.00 0.00 0.00 1.98 -2.51 0.00 0.00 177.63 177.10 1inz h MET 1 N 0.00 0.00 -7.07 -0.14 4.05 -2.05 -3.47 114.93 106.26 1inz h MET 1 Ca 0.00 0.00 -0.49 0.00 -0.28 0.00 0.00 59.70 58.93 1inz h MET 1 Cb 0.00 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 30.83 1inz h MET 1 CO 0.00 0.46 0.25 -1.12 0.23 0.00 0.00 176.91 176.72 1inz s SER 2 N -6.03 6.42 -0.56 1.39 0.01 -1.26 -5.04 113.70 108.62 1inz s SER 2 Ca -0.04 1.26 0.04 0.00 1.31 0.00 0.00 55.95 58.52 1inz s SER 2 Cb 0.08 -2.38 0.16 0.00 0.21 0.00 0.00 66.02 64.09 1inz s SER 2 CO 0.82 -0.59 0.37 -0.89 0.41 0.00 0.00 173.24 173.36 1inz s THR 3 N -2.70 1.94 -0.65 1.44 2.01 -1.26 -4.95 115.64 111.46 1inz s THR 3 Ca 0.53 -3.40 0.06 0.00 0.31 0.00 0.00 61.69 59.18 1inz s THR 3 Cb -0.10 -2.30 0.26 0.00 0.01 0.00 0.00 72.50 70.36 1inz s THR 3 CO 0.40 -1.01 0.80 -1.54 -0.69 0.00 0.00 174.62 172.58 1inz n SER 4 N 2.66 3.95 0.15 3.53 3.41 -1.26 -4.94 113.62 121.13 1inz n SER 4 Ca 0.18 -3.48 -0.13 0.00 -0.26 0.00 0.00 58.87 55.18 1inz n SER 4 Cb 0.37 -0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 63.58 1inz n SER 4 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1inz h SER 5 N 4.06 -1.07 -2.17 4.04 0.87 -1.99 -3.42 113.55 113.87 1inz h SER 5 Ca 0.19 0.10 -0.23 0.00 -1.23 0.00 0.00 61.79 60.62 1inz h SER 5 Cb 0.64 0.37 -0.32 0.00 -0.44 0.00 0.00 62.40 62.65 1inz h SER 5 CO 0.85 -0.45 -0.55 -0.22 -0.53 0.00 0.00 176.83 175.94 1inz s LEU 6 N -8.60 -0.40 -0.08 2.23 0.20 -1.26 -5.14 118.68 105.62 1inz s LEU 6 Ca -0.12 0.01 0.02 0.00 0.69 0.00 0.00 54.13 54.73 1inz s LEU 6 Cb 0.04 0.79 -0.02 0.00 -0.43 0.00 0.00 46.19 46.56 1inz s LEU 6 CO 0.43 -0.31 -0.15 -0.60 -0.29 0.00 0.00 176.35 175.43 1inz s ARG 7 N 2.45 2.88 0.00 1.98 6.06 -1.26 -5.03 118.95 126.01 1inz s ARG 7 Ca 0.10 -0.71 0.00 0.00 -2.50 0.00 0.00 55.73 52.62 1inz s ARG 7 Cb -0.16 -2.46 0.00 0.00 0.06 0.00 0.00 34.95 32.39 1inz s ARG 7 CO -0.15 0.43 0.00 0.54 -2.50 0.00 0.00 175.30 173.62 1inz n ARG 8 N 2.87 0.00 -2.44 5.12 5.12 -1.26 -5.00 116.66 121.07 1inz n ARG 8 Ca -0.18 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.32 1inz n ARG 8 Cb 0.52 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.80 1inz n ARG 8 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1inz s GLN 9 N -0.30 4.08 -0.05 5.56 -1.52 -1.26 -4.92 119.66 121.24 1inz s GLN 9 Ca 0.00 1.44 -0.22 0.00 -1.95 0.00 0.00 55.36 54.63 1inz s GLN 9 Cb 0.00 -3.81 -0.16 0.00 -0.22 0.00 0.00 33.01 28.82 1inz s GLN 9 CO 0.00 -0.90 0.90 1.98 -0.25 0.00 0.00 175.29 177.01 1inz h MET 10 N 8.68 -0.19 0.00 2.91 1.85 -2.04 -3.47 114.93 122.67 1inz h MET 10 Ca -0.26 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.85 1inz h MET 10 Cb 1.10 0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.17 1inz h MET 10 CO 1.00 0.25 0.00 0.36 -0.40 0.00 0.00 176.91 178.12 1inz n LYS 11 N -4.91 0.00 -3.50 0.39 2.85 -1.26 -4.81 118.16 106.92 1inz n LYS 11 Ca -0.08 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 56.98 1inz n LYS 11 Cb 0.27 0.00 0.09 0.00 -0.65 0.00 0.00 35.03 34.73 1inz n LYS 11 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1inz n ASN 12 N -1.86 -3.82 -3.60 -5.58 5.15 -1.26 -5.01 115.26 99.29 1inz n ASN 12 Ca 0.00 -0.59 -0.12 0.00 -0.60 0.00 0.00 54.58 53.27 1inz n ASN 12 Cb 0.00 -5.09 0.03 0.00 -0.53 0.00 0.00 39.78 34.19 1inz n ASN 12 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1inz n ILE 13 N -4.49 0.00 -5.13 -1.44 3.06 -1.26 -5.13 119.36 104.97 1inz n ILE 13 Ca -0.17 -1.10 -0.31 0.00 -2.50 0.00 0.00 62.75 58.67 1inz n ILE 13 Cb 0.62 -0.58 -0.15 0.00 0.54 0.00 0.00 39.64 40.07 1inz n ILE 13 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 1inz s VAL 14 N -1.14 2.19 -1.61 9.51 -7.23 -1.26 -5.01 120.40 115.86 1inz s VAL 14 Ca 0.28 -1.17 0.18 0.00 -1.81 0.00 0.00 61.98 59.46 1inz s VAL 14 Cb -0.02 -1.80 0.47 0.00 0.56 0.00 0.00 36.38 35.59 1inz s VAL 14 CO 0.18 0.51 1.39 1.57 -0.31 0.00 0.00 175.10 178.43 1inz n HIS 15 N 2.19 0.69 -3.24 2.82 -0.00 -1.26 -4.99 115.22 111.43 1inz n HIS 15 Ca -0.16 -0.45 -0.12 0.00 0.46 0.00 0.00 57.72 57.45 1inz n HIS 15 Cb 0.51 -0.01 0.05 0.00 -0.12 0.00 0.00 29.99 30.42 1inz n HIS 15 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1inz n ASN 16 N 1.16 -6.87 -3.94 0.26 4.13 -1.26 -4.98 115.26 103.76 1inz n ASN 16 Ca 0.18 -0.55 -0.30 0.00 1.68 0.00 0.00 54.58 55.60 1inz n ASN 16 Cb 0.53 -5.04 0.23 0.00 -1.54 0.00 0.00 39.78 33.97 1inz n ASN 16 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1inz s TYR 17 N -3.27 0.74 -0.78 3.10 -0.85 -1.26 -4.38 117.35 110.66 1inz s TYR 17 Ca 0.31 0.55 -0.01 0.00 -0.52 0.00 0.00 57.07 57.41 1inz s TYR 17 Cb -0.05 -3.45 0.00 0.00 0.38 0.00 0.00 41.96 38.84 1inz s TYR 17 CO 0.76 -3.71 0.65 0.45 -1.52 0.00 0.00 175.55 172.18 1inz n SER 18 N -4.65 -6.32 -0.19 -0.18 2.88 -1.26 -4.92 113.62 98.99 1inz n SER 18 Ca 0.12 -0.51 0.02 0.00 -1.33 0.00 0.00 58.87 57.17 1inz n SER 18 Cb 0.59 -3.47 0.03 0.00 -0.75 0.00 0.00 64.21 60.61 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 -2.17 0.81 -0.19 -1.46 0.28 -1.26 -4.83 120.64 111.82 1inz n GLU 19 Ca -0.16 -1.31 -0.01 0.00 -0.16 0.00 0.00 57.16 55.52 1inz n GLU 19 Cb 0.60 -0.81 0.09 0.00 1.43 0.00 0.00 31.44 32.75 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 0.72 -0.94 -1.84 0.00 -1.91 -1.75 119.26 113.54 1inz h ALA 20 Ca 0.00 0.08 0.25 0.00 0.00 0.00 0.00 54.91 55.24 1inz h ALA 20 Cb 1.05 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.73 1inz h ALA 20 CO 0.00 -0.21 0.03 1.05 0.00 0.00 0.00 179.25 180.12 1inz h GLU 21 N 0.38 0.04 -0.47 0.00 4.11 -1.84 0.55 114.58 117.35 1inz h GLU 21 Ca 0.28 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.69 1inz h GLU 21 Cb 0.34 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1inz h GLU 21 CO -0.29 0.03 0.19 0.82 0.07 0.00 0.00 179.01 179.83 1inz h ILE 22 N 0.04 1.20 -0.48 -1.06 2.04 -1.66 -2.24 117.51 115.35 1inz h ILE 22 Ca 0.56 -0.63 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1inz h ILE 22 Cb 1.11 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1inz h ILE 22 CO -0.86 0.24 0.32 0.11 0.00 0.00 0.00 178.15 177.96 1inz h LYS 23 N 0.62 0.31 0.00 2.37 6.56 0.15 0.31 116.57 126.89 1inz h LYS 23 Ca 0.16 -0.02 -0.10 0.00 -1.06 0.00 0.00 60.65 59.63 1inz h LYS 23 Cb 0.19 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 1inz h LYS 23 CO -0.01 0.21 -0.47 0.28 -2.06 0.00 0.00 179.45 177.39 1inz h VAL 24 N 0.32 1.15 -0.14 0.50 2.07 -0.64 -0.24 116.25 119.27 1inz h VAL 24 Ca 0.22 -1.73 -0.09 0.00 0.82 0.00 0.00 66.70 65.92 1inz h VAL 24 Cb 0.43 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1inz h VAL 24 CO -0.05 0.46 -0.25 -0.09 0.02 0.00 0.00 177.57 177.67 1inz h ARG 25 N 0.00 0.42 0.00 1.57 2.43 -0.67 -2.42 114.38 115.71 1inz h ARG 25 Ca -0.00 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 58.86 1inz h ARG 25 Cb 0.95 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1inz h ARG 25 CO 0.06 0.85 -0.23 1.49 -1.51 0.00 0.00 179.97 180.63 1inz h GLU 26 N 0.03 0.00 0.00 0.20 4.81 -1.45 -3.14 114.58 115.04 1inz h GLU 26 Ca 0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1inz h GLU 26 Cb 0.82 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1inz h GLU 26 CO 0.06 0.23 -0.17 0.00 -0.73 0.00 0.00 179.01 178.40 1inz h ALA 27 N 1.77 0.92 -0.65 2.92 0.00 -0.99 -3.23 119.26 120.00 1inz h ALA 27 Ca -0.00 -0.16 -0.44 0.00 0.00 0.00 0.00 54.91 54.32 1inz h ALA 27 Cb 1.11 -0.03 -0.19 0.00 0.00 0.00 0.00 17.79 18.68 1inz h ALA 27 CO 0.03 0.21 0.56 0.25 0.00 0.00 0.00 179.25 180.31 1inz n THR 28 N -3.18 3.04 -3.20 0.00 -2.24 -0.92 -4.86 114.28 102.93 1inz n THR 28 Ca 0.02 -2.04 0.00 0.00 -2.27 0.00 0.00 64.05 59.76 1inz n THR 28 Cb 0.54 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.51 1inz n THR 28 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1inz n SER 29 N -0.08 0.00 -3.68 3.42 7.64 -1.22 -4.64 113.62 115.07 1inz n SER 29 Ca 0.41 -0.55 -0.06 0.00 1.01 0.00 0.00 58.87 59.68 1inz n SER 29 Cb 0.63 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.81 1inz n SER 29 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1inz s ASN 30 N 0.36 -0.26 0.20 6.43 2.20 -1.26 -5.01 114.94 117.60 1inz s ASN 30 Ca 0.00 -0.29 0.08 0.00 -0.94 0.00 0.00 52.86 51.71 1inz s ASN 30 Cb 0.00 0.49 -0.05 0.00 -2.00 0.00 0.00 41.25 39.69 1inz s ASN 30 CO 0.00 -0.87 -0.16 -1.81 -2.94 0.00 0.00 177.10 171.32 1inz s ASP 31 N -2.81 2.67 1.13 3.54 1.01 -1.26 -5.06 116.67 115.89 1inz s ASP 31 Ca 0.09 -0.98 -0.09 0.00 0.71 0.00 0.00 52.55 52.29 1inz s ASP 31 Cb -0.02 -0.15 0.13 0.00 1.01 0.00 0.00 42.92 43.89 1inz s ASP 31 CO -0.01 -0.12 0.41 -0.81 0.21 0.00 0.00 175.17 174.85 1inz n PRO 32 N -0.21 -2.29 0.00 8.23 -0.04 -1.26 -3.04 135.00 136.39 1inz n PRO 32 Ca -0.09 -0.67 0.00 0.00 -0.04 0.00 0.00 63.50 62.70 1inz n PRO 32 Cb 0.59 -0.69 0.00 0.00 -0.04 0.00 0.00 33.50 33.36 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 -3.68 0.00 -3.75 0.54 7.02 -1.26 -3.82 117.44 112.50 1inz n TRP 33 Ca 0.06 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.24 1inz n TRP 33 Cb 0.24 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 28.99 1inz n TRP 33 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1inz s GLY 34 N 0.00 1.54 0.00 6.99 0.00 -1.26 -5.09 107.32 109.50 1inz s GLY 34 Ca 0.00 -2.34 -0.30 0.00 0.00 0.00 0.00 44.72 42.08 1inz s GLY 34 CO 0.00 1.50 1.68 2.56 0.00 0.00 0.00 173.10 178.85 1inz s PRO 35 N 0.75 4.19 0.21 2.90 0.04 -1.17 -4.85 135.00 137.06 1inz s PRO 35 Ca 0.15 2.29 -0.32 0.00 0.04 0.00 0.00 61.00 63.16 1inz s PRO 35 Cb -0.22 -3.85 -0.11 0.00 0.04 0.00 0.00 34.50 30.35 1inz s PRO 35 CO -0.07 -0.81 1.66 0.45 0.04 0.00 0.00 177.00 178.27 1inz s SER 36 N 3.09 6.44 -0.57 6.66 0.15 -1.26 -4.93 113.70 123.28 1inz s SER 36 Ca 0.75 2.81 0.04 0.00 0.70 0.00 0.00 55.95 60.25 1inz s SER 36 Cb -0.37 -2.60 0.16 0.00 -1.71 0.00 0.00 66.02 61.50 1inz s SER 36 CO 0.32 -0.92 0.38 -0.55 1.20 0.00 0.00 173.24 173.66 1inz s SER 37 N 1.08 3.98 -0.35 5.45 0.15 -1.26 -4.88 113.70 117.88 1inz s SER 37 Ca 0.72 -3.34 0.04 0.00 0.70 0.00 0.00 55.95 54.07 1inz s SER 37 Cb -0.48 -1.34 0.22 0.00 -1.71 0.00 0.00 66.02 62.71 1inz s SER 37 CO 0.34 -0.16 1.22 -0.24 1.20 0.00 0.00 173.24 175.59 1inz n SER 38 N 2.62 -1.40 0.00 5.45 2.88 -1.26 -4.99 113.62 116.93 1inz n SER 38 Ca 0.16 -2.04 0.00 0.00 -1.33 0.00 0.00 58.87 55.67 1inz n SER 38 Cb 0.36 1.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.97 1inz n SER 38 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1inz n LEU 39 N -0.13 0.37 -0.01 2.46 4.77 -1.26 -4.66 117.00 118.54 1inz n LEU 39 Ca -0.14 -0.49 -0.06 0.00 -0.03 0.00 0.00 56.01 55.29 1inz n LEU 39 Cb 0.72 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.76 1inz n LEU 39 CO -0.09 0.09 0.19 0.24 -1.33 0.00 0.00 177.39 176.49 1inz h MET 40 N 0.00 -0.09 0.00 3.23 2.86 -1.96 -2.17 114.93 116.80 1inz h MET 40 Ca 0.00 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1inz h MET 40 Cb 0.11 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1inz h MET 40 CO 0.00 0.25 -0.13 1.03 1.06 0.00 0.00 176.91 179.12 1inz h SER 41 N -0.99 0.00 0.22 1.22 0.87 -1.98 -2.35 113.55 110.54 1inz h SER 41 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1inz h SER 41 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1inz h SER 41 CO 0.02 0.13 -0.11 -0.08 -0.53 0.00 0.00 176.83 176.26 1inz h GLU 42 N 0.00 -0.29 -0.97 2.24 4.81 -1.83 -2.60 114.58 115.95 1inz h GLU 42 Ca -0.00 0.02 0.27 0.00 -0.13 0.00 0.00 59.36 59.51 1inz h GLU 42 Cb 0.24 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 1inz h GLU 42 CO 0.02 -0.19 0.68 0.82 -0.73 0.00 0.00 179.01 179.61 1inz h ILE 43 N -1.03 0.54 0.06 2.32 2.04 -1.38 -0.29 117.51 119.77 1inz h ILE 43 Ca -0.03 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1inz h ILE 43 Cb 0.23 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1inz h ILE 43 CO 0.05 0.02 -0.03 0.00 0.00 0.00 0.00 178.15 178.19 1inz h ALA 44 N 1.54 -0.08 -0.04 1.87 0.00 -1.47 -2.38 119.26 118.70 1inz h ALA 44 Ca 0.48 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1inz h ALA 44 Cb 1.70 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1inz h ALA 44 CO -0.07 -0.28 0.31 -0.44 0.00 0.00 0.00 179.25 178.77 1inz h ASP 45 N -0.62 0.00 0.45 0.00 5.19 -0.67 0.24 116.42 121.02 1inz h ASP 45 Ca -0.01 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.10 1inz h ASP 45 Cb 0.53 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.05 1inz h ASP 45 CO 0.01 0.00 -1.41 -0.07 -3.12 0.00 0.00 179.24 174.66 1inz h LEU 46 N 0.00 0.57 -0.82 1.55 3.38 -0.95 -3.29 115.31 115.75 1inz h LEU 46 Ca 0.02 -0.65 0.13 0.00 0.09 0.00 0.00 57.88 57.47 1inz h LEU 46 Cb 0.64 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.11 1inz h LEU 46 CO -0.00 1.52 0.42 0.71 0.09 0.00 0.00 178.44 181.18 1inz h THR 47 N 0.10 0.77 -0.95 0.22 1.35 -0.02 0.92 112.91 115.30 1inz h THR 47 Ca -0.21 -0.22 0.29 0.00 -0.55 0.00 0.00 66.41 65.73 1inz h THR 47 Cb 2.05 0.08 -0.15 0.00 -1.73 0.00 0.00 68.15 68.40 1inz h THR 47 CO 0.22 0.12 0.40 1.88 -0.25 0.00 0.00 175.52 177.88 1inz h TYR 48 N 0.64 0.63 -1.18 4.73 0.05 -1.61 -3.26 116.97 116.96 1inz h TYR 48 Ca 0.43 0.05 -0.43 0.00 0.05 0.00 0.00 58.73 58.83 1inz h TYR 48 Cb 0.56 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 38.11 1inz h TYR 48 CO -0.09 -0.23 1.06 -0.80 -1.05 0.00 0.00 178.16 177.05 1inz s ASN 49 N -4.95 5.59 0.00 3.88 0.01 0.31 -4.85 114.94 114.93 1inz s ASN 49 Ca -0.11 -0.67 0.00 0.00 -0.71 0.00 0.00 52.86 51.37 1inz s ASN 49 Cb 0.29 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.39 1inz s ASN 49 CO 0.78 -2.30 0.00 1.33 -1.51 0.00 0.00 177.10 175.40 1inz n VAL 50 N 7.39 0.00 0.13 1.60 0.24 -1.23 0.79 118.33 127.24 1inz n VAL 50 Ca 0.32 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.56 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 -0.80 3.34 2.07 -1.88 -3.19 116.25 115.79 1inz h VAL 51 Ca 0.00 -0.11 0.24 0.00 0.82 0.00 0.00 66.70 67.66 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 0.10 0.00 0.02 0.00 0.00 177.57 177.69 1inz n ALA 52 N -2.26 0.49 0.29 1.67 0.00 0.24 -0.11 120.51 120.83 1inz n ALA 52 Ca -0.04 0.85 -0.18 0.00 0.00 0.00 0.00 53.44 54.07 1inz n ALA 52 Cb 0.14 -0.66 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 1inz n ALA 52 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1inz h PHE 53 N 0.00 -1.26 -0.89 0.00 3.57 -1.46 -0.36 116.94 116.54 1inz h PHE 53 Ca 0.52 0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.20 1inz h PHE 53 Cb 1.16 0.48 -0.10 0.00 2.79 0.00 0.00 35.95 40.28 1inz h PHE 53 CO -0.33 -0.63 0.47 0.77 -2.23 0.00 0.00 178.31 176.35 1inz h SER 54 N -0.95 0.54 0.23 0.41 0.02 -0.50 0.19 113.55 113.48 1inz h SER 54 Ca -0.05 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1inz h SER 54 Cb 0.83 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1inz h SER 54 CO -0.05 0.19 -0.29 -0.33 -1.14 0.00 0.00 176.83 175.21 1inz h GLU 55 N 0.61 0.10 0.00 3.45 4.39 -0.87 -2.05 114.58 120.21 1inz h GLU 55 Ca 0.51 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.17 1inz h GLU 55 Cb 0.79 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1inz h GLU 55 CO -0.40 0.39 0.00 -0.89 -1.16 0.00 0.00 179.01 176.95 1inz n ILE 56 N -4.16 0.00 -0.35 3.13 5.41 0.58 -3.12 119.36 120.85 1inz n ILE 56 Ca -0.02 0.79 0.24 0.00 1.00 0.00 0.00 62.75 64.76 1inz n ILE 56 Cb 0.36 -1.79 0.49 0.00 -0.71 0.00 0.00 39.64 37.99 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 0.37 0.26 0.38 2.86 -1.45 -1.15 114.93 116.20 1inz h MET 57 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1inz h MET 57 Cb 0.00 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1inz h MET 57 CO 0.00 0.24 -0.49 1.03 1.06 0.00 0.00 176.91 178.75 1inz h SER 58 N 0.38 -1.42 -0.30 1.22 0.87 -1.46 0.50 113.55 113.34 1inz h SER 58 Ca 0.68 0.14 0.05 0.00 -1.23 0.00 0.00 61.79 61.43 1inz h SER 58 Cb 1.63 0.50 -0.02 0.00 -0.44 0.00 0.00 62.40 64.08 1inz h SER 58 CO -0.45 -0.57 0.21 -0.03 -0.53 0.00 0.00 176.83 175.46 1inz h MET 59 N -0.81 0.18 0.00 2.24 -1.53 -1.18 0.15 114.93 113.98 1inz h MET 59 Ca -0.03 -0.01 -0.07 0.00 -3.44 0.00 0.00 59.70 56.15 1inz h MET 59 Cb 0.76 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.76 1inz h MET 59 CO -0.18 0.12 -0.33 0.82 0.14 0.00 0.00 176.91 177.47 1inz h ILE 60 N 0.18 1.20 0.18 1.77 2.04 -0.38 -3.01 117.51 119.50 1inz h ILE 60 Ca 0.13 -1.15 -0.27 0.00 1.00 0.00 0.00 64.86 64.57 1inz h ILE 60 Cb 0.30 1.63 0.03 0.00 -0.74 0.00 0.00 36.82 38.03 1inz h ILE 60 CO -0.02 0.32 -1.19 -0.50 0.00 0.00 0.00 178.15 176.77 1inz h TRP 61 N 0.00 0.84 0.25 1.37 -0.00 0.11 -2.73 115.95 115.79 1inz h TRP 61 Ca -0.00 -0.59 -0.01 0.00 -0.00 0.00 0.00 58.89 58.29 1inz h TRP 61 Cb 0.60 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.16 29.71 1inz h TRP 61 CO 0.00 1.45 -0.19 -0.22 -0.00 0.00 0.00 178.44 179.48 1inz h LYS 62 N -0.01 -0.40 0.00 0.49 1.63 -1.32 -2.45 116.57 114.50 1inz h LYS 62 Ca -0.20 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.62 1inz h LYS 62 Cb 1.92 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 33.64 1inz h LYS 62 CO 0.22 -0.27 -0.03 0.07 -3.45 0.00 0.00 179.45 176.00 1inz h ARG 63 N -0.42 0.00 0.00 1.90 0.11 -1.70 -1.77 114.38 112.50 1inz h ARG 63 Ca -0.03 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.04 1inz h ARG 63 Cb 0.35 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.43 1inz h ARG 63 CO 0.01 0.03 -0.03 -0.07 0.10 0.00 0.00 179.97 180.01 1inz h LEU 64 N 0.00 0.00 -3.92 0.08 3.38 -1.11 -1.73 115.31 112.00 1inz h LEU 64 Ca -0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1inz h LEU 64 Cb 0.09 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.54 1inz h LEU 64 CO 0.00 0.03 0.55 -3.20 0.09 0.00 0.00 178.44 175.91 1inz n ASN 65 N -4.12 6.20 -4.14 -0.43 5.15 -0.66 -4.71 115.26 112.54 1inz n ASN 65 Ca -0.03 -3.75 -0.37 0.00 -0.60 0.00 0.00 54.58 49.83 1inz n ASN 65 Cb 0.11 -0.85 0.04 0.00 -0.53 0.00 0.00 39.78 38.56 1inz n ASN 65 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1inz n ASP 66 N -0.95 -4.63 -2.86 1.20 2.03 -0.65 -4.92 116.55 105.76 1inz n ASP 66 Ca 0.58 0.37 -0.05 0.00 0.52 0.00 0.00 54.79 56.21 1inz n ASP 66 Cb 0.93 -0.86 0.04 0.00 -0.72 0.00 0.00 41.12 40.51 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 -2.29 -2.69 -2.11 -0.67 8.25 -1.26 -4.86 115.22 109.59 1inz n HIS 67 Ca 0.03 -0.14 -0.39 0.00 -0.26 0.00 0.00 57.72 56.96 1inz n HIS 67 Cb 0.53 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 0.16 5.39 0.00 -1.41 0.00 -1.26 -4.22 105.19 103.85 1inz n GLY 68 Ca 0.02 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1inz n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1inz n LYS 69 N 0.96 0.15 -3.33 1.61 4.81 -1.26 -5.03 118.16 116.07 1inz n LYS 69 Ca 0.56 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.91 1inz n LYS 69 Cb 0.29 -0.57 -0.07 0.00 0.02 0.00 0.00 35.03 34.69 1inz n LYS 69 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1inz s ASN 70 N -2.64 0.23 0.00 3.14 2.47 -1.26 -4.99 114.94 111.89 1inz s ASN 70 Ca 0.00 0.12 0.28 0.00 0.42 0.00 0.00 52.86 53.68 1inz s ASN 70 Cb 0.00 1.15 1.41 0.00 -1.45 0.00 0.00 41.25 42.35 1inz s ASN 70 CO 0.00 -0.31 1.95 -2.67 -3.72 0.00 0.00 177.10 172.35 1inz n TRP 71 N 5.36 0.00 -0.27 0.43 4.27 -1.26 -3.89 117.44 122.08 1inz n TRP 71 Ca -0.03 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.66 1inz n TRP 71 Cb 0.50 -0.28 0.20 0.00 -1.36 0.00 0.00 31.31 30.37 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 0.13 -1.01 -2.67 3.08 -1.98 0.37 114.38 112.29 1inz h ARG 72 Ca 0.00 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1inz h ARG 72 Cb 0.25 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 1inz h ARG 72 CO 0.00 0.08 0.67 0.45 -1.07 0.00 0.00 179.97 180.10 1inz h HIS 73 N 0.13 1.26 0.67 3.04 3.86 -1.88 -2.91 115.15 119.32 1inz h HIS 73 Ca 0.46 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.66 1inz h HIS 73 Cb 0.85 -0.43 0.01 0.00 1.06 0.00 0.00 27.41 28.89 1inz h HIS 73 CO -0.38 0.79 -0.32 0.28 0.86 0.00 0.00 177.93 179.15 1inz h VAL 74 N 1.36 0.29 -0.83 2.45 2.07 -0.39 -1.40 116.25 119.80 1inz h VAL 74 Ca 0.37 -0.14 0.13 0.00 0.82 0.00 0.00 66.70 67.89 1inz h VAL 74 Cb -0.14 0.33 -0.14 0.00 -1.52 0.00 0.00 31.29 29.83 1inz h VAL 74 CO -0.09 0.02 -0.38 0.22 0.02 0.00 0.00 177.57 177.36 1inz h TYR 75 N -1.00 -1.08 -0.63 1.57 3.20 -1.20 0.64 116.97 118.46 1inz h TYR 75 Ca -0.09 0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1inz h TYR 75 Cb 0.72 0.59 -0.03 0.00 1.54 0.00 0.00 36.73 39.55 1inz h TYR 75 CO -0.01 -0.40 0.35 0.87 -1.64 0.00 0.00 178.16 177.33 1inz h LYS 76 N -0.07 0.86 0.00 1.82 1.79 -1.45 -1.25 116.57 118.27 1inz h LYS 76 Ca 0.29 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.66 1inz h LYS 76 Cb 0.57 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1inz h LYS 76 CO -0.86 0.63 -0.07 0.00 -1.08 0.00 0.00 179.45 178.07 1inz h ALA 77 N 1.51 1.47 0.09 3.86 0.00 0.14 -2.17 119.26 124.16 1inz h ALA 77 Ca 0.22 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.81 1inz h ALA 77 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1inz h ALA 77 CO -0.04 0.09 -1.15 0.52 0.00 0.00 0.00 179.25 178.68 1inz h MET 78 N 0.00 0.32 0.53 0.00 2.86 0.02 -2.92 114.93 115.74 1inz h MET 78 Ca -0.00 -0.47 -0.03 0.00 -2.06 0.00 0.00 59.70 57.15 1inz h MET 78 Cb 0.17 0.16 0.01 0.00 0.06 0.00 0.00 31.60 32.00 1inz h MET 78 CO 0.01 1.18 -0.25 1.15 1.06 0.00 0.00 176.91 180.06 1inz h THR 79 N 0.13 0.48 -0.47 2.22 2.02 -1.18 -0.75 112.91 115.35 1inz h THR 79 Ca -0.12 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1inz h THR 79 Cb 1.84 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1inz h THR 79 CO 0.19 0.00 0.31 0.25 0.37 0.00 0.00 175.52 176.65 1inz h LEU 80 N -0.72 0.54 -1.08 2.58 5.85 -1.65 -1.14 115.31 119.68 1inz h LEU 80 Ca -0.07 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 1inz h LEU 80 Cb 0.55 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1inz h LEU 80 CO 0.12 0.39 -0.21 -0.03 -0.34 0.00 0.00 178.44 178.37 1inz h MET 81 N 0.63 0.40 0.07 1.25 4.05 -1.24 -2.58 114.93 117.52 1inz h MET 81 Ca 0.17 -0.13 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1inz h MET 81 Cb -0.06 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.71 1inz h MET 81 CO -0.04 0.60 -0.03 1.49 0.23 0.00 0.00 176.91 179.15 1inz h GLU 82 N 0.37 -0.09 -0.94 0.39 4.57 0.00 -2.56 114.58 116.32 1inz h GLU 82 Ca 0.06 0.01 0.19 0.00 -1.18 0.00 0.00 59.36 58.44 1inz h GLU 82 Cb 0.57 0.02 -0.18 0.00 -0.16 0.00 0.00 28.75 29.01 1inz h GLU 82 CO 0.04 -0.06 -0.21 -0.92 -1.18 0.00 0.00 179.01 176.68 1inz h TYR 83 N -0.64 -0.45 -0.44 0.92 5.03 -1.36 0.31 116.97 120.34 1inz h TYR 83 Ca -0.01 0.08 -0.05 0.00 2.58 0.00 0.00 58.73 61.34 1inz h TYR 83 Cb 0.07 0.35 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 1inz h TYR 83 CO 0.01 -0.40 0.10 -0.07 -1.32 0.00 0.00 178.16 176.48 1inz h LEU 84 N 0.00 0.68 -1.78 2.82 3.38 -1.59 -1.86 115.31 116.96 1inz h LEU 84 Ca 0.46 -0.24 0.18 0.00 0.09 0.00 0.00 57.88 58.37 1inz h LEU 84 Cb 0.73 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1inz h LEU 84 CO -0.96 0.74 0.65 0.40 0.09 0.00 0.00 178.44 179.37 1inz h ILE 85 N 0.58 0.29 0.00 1.22 2.04 0.06 1.09 117.51 122.79 1inz h ILE 85 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1inz h ILE 85 Cb 0.33 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1inz h ILE 85 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.44 1inz n LYS 86 N -3.64 0.00 0.20 2.37 5.02 -0.83 -4.27 118.16 117.01 1inz n LYS 86 Ca 0.12 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.49 1inz n LYS 86 Cb 0.88 -0.06 0.37 0.00 -0.02 0.00 0.00 35.03 36.20 1inz n LYS 86 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1inz h THR 87 N 0.00 0.68 0.00 -0.18 1.03 -1.41 -3.35 112.91 109.69 1inz h THR 87 Ca 0.00 -1.35 0.00 0.00 -0.01 0.00 0.00 66.41 65.05 1inz h THR 87 Cb 0.00 1.88 0.00 0.00 -1.07 0.00 0.00 68.15 68.96 1inz h THR 87 CO 0.00 0.29 0.00 0.61 -0.01 0.00 0.00 175.52 176.41 1inz n GLY 88 N 0.29 -3.28 3.64 2.99 0.00 0.37 -4.70 105.19 104.51 1inz n GLY 88 Ca 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.64 -0.03 0.52 1.61 0.15 -0.94 -3.95 113.70 108.43 1inz s SER 89 Ca 0.00 0.01 0.30 0.00 0.70 0.00 0.00 55.95 56.96 1inz s SER 89 Cb 0.00 0.02 1.61 0.00 -1.71 0.00 0.00 66.02 65.95 1inz s SER 89 CO 0.00 -0.03 1.89 -0.33 1.20 0.00 0.00 173.24 175.97 1inz h GLU 90 N 2.02 0.00 0.15 5.44 4.39 -1.88 -0.58 114.58 124.12 1inz h GLU 90 Ca -0.05 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.34 1inz h GLU 90 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1inz h GLU 90 CO 0.20 0.00 -1.53 0.00 -1.16 0.00 0.00 179.01 176.52 1inz h ARG 91 N 0.00 0.33 -0.22 2.33 2.47 -1.94 -3.04 114.38 114.31 1inz h ARG 91 Ca 0.00 -0.56 0.00 0.00 -1.26 0.00 0.00 59.98 58.17 1inz h ARG 91 Cb 0.28 0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.79 1inz h ARG 91 CO 0.00 1.22 0.15 0.28 0.56 0.00 0.00 179.97 182.18 1inz h VAL 92 N 0.09 1.05 0.18 2.04 2.07 -1.41 -0.82 116.25 119.45 1inz h VAL 92 Ca -0.25 -0.10 -0.30 0.00 0.82 0.00 0.00 66.70 66.87 1inz h VAL 92 Cb 2.05 0.73 0.03 0.00 -1.52 0.00 0.00 31.29 32.59 1inz h VAL 92 CO 0.19 0.05 -1.28 -1.28 0.02 0.00 0.00 177.57 175.27 1inz h SER 93 N 0.29 0.81 0.39 0.57 0.87 -1.62 -3.05 113.55 111.81 1inz h SER 93 Ca 0.08 -0.88 -0.04 0.00 -1.23 0.00 0.00 61.79 59.72 1inz h SER 93 Cb -0.02 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1inz h SER 93 CO -0.02 1.62 -0.17 1.56 -0.53 0.00 0.00 176.83 179.29 1inz h GLN 94 N 0.12 0.00 -0.02 2.24 4.20 -1.30 -2.34 115.11 118.01 1inz h GLN 94 Ca -0.21 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.28 1inz h GLN 94 Cb 1.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.76 1inz h GLN 94 CO 0.24 0.17 -0.90 0.37 -0.67 0.00 0.00 178.83 178.04 1inz h GLN 95 N 0.00 0.43 -0.52 1.46 5.75 -1.18 -2.43 115.11 118.63 1inz h GLN 95 Ca -0.00 -0.44 -0.08 0.00 -0.15 0.00 0.00 58.65 57.98 1inz h GLN 95 Cb 0.41 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 1inz h GLN 95 CO 0.02 1.10 -0.01 0.00 -2.65 0.00 0.00 178.83 177.29 1inz h LYS 97 N 0.81 0.00 0.00 0.00 2.10 -1.47 -1.75 116.57 116.26 1inz h LYS 97 Ca 0.15 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.64 1inz h LYS 97 Cb 0.50 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.80 1inz h LYS 97 CO 0.02 0.52 -0.77 0.93 -2.00 0.00 0.00 179.45 178.16 1inz h GLU 98 N 0.00 0.00 -1.15 0.07 4.39 -0.90 -3.25 114.58 113.74 1inz h GLU 98 Ca -0.01 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.10 1inz h GLU 98 Cb 1.04 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.29 1inz h GLU 98 CO 0.07 0.77 -0.49 -1.71 -1.16 0.00 0.00 179.01 176.48 1inz n ASN 99 N -3.63 5.30 0.25 1.42 2.85 -0.40 -4.77 115.26 116.28 1inz n ASN 99 Ca -0.01 -3.75 0.08 0.00 -0.11 0.00 0.00 54.58 50.79 1inz n ASN 99 Cb 0.74 -0.50 0.63 0.00 1.24 0.00 0.00 39.78 41.89 1inz n ASN 99 CO 0.00 0.00 0.00 -0.03 -2.11 0.00 0.00 177.26 175.12 1inz h MET 100 N 2.37 0.00 0.00 1.20 4.05 -1.36 -0.70 114.93 120.49 1inz h MET 100 Ca 0.38 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.77 1inz h MET 100 Cb 1.13 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.93 1inz h MET 100 CO 0.92 0.06 -0.16 1.88 0.23 0.00 0.00 176.91 179.84 1inz h TYR 101 N 0.00 0.00 0.09 1.39 0.05 -1.87 -1.43 116.97 115.20 1inz h TYR 101 Ca -0.00 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.52 1inz h TYR 101 Cb 0.11 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.88 1inz h TYR 101 CO 0.00 0.16 -1.06 0.00 -1.05 0.00 0.00 178.16 176.21 1inz h ALA 102 N 1.84 0.01 -0.02 3.88 0.00 -1.50 -1.04 119.26 122.43 1inz h ALA 102 Ca -0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 54.91 54.05 1inz h ALA 102 Cb 0.44 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1inz h ALA 102 CO 0.02 0.59 -0.62 0.28 0.00 0.00 0.00 179.25 179.52 1inz h VAL 103 N 0.15 1.43 0.00 0.00 2.07 -1.39 -3.07 116.25 115.44 1inz h VAL 103 Ca -0.16 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1inz h VAL 103 Cb 1.75 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.63 1inz h VAL 103 CO 0.20 0.60 -0.67 1.56 0.02 0.00 0.00 177.57 179.29 1inz h GLN 104 N 0.06 0.00 0.00 1.57 1.08 -1.32 -3.31 115.11 113.19 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 1.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 1inz h GLN 104 CO 0.09 0.00 0.25 0.00 -0.95 0.00 0.00 178.83 178.22 1inz h THR 105 N 0.00 0.00 0.13 -0.54 1.03 -1.07 0.11 112.91 112.56 1inz h THR 105 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 66.41 66.13 1inz h THR 105 Cb 0.97 0.65 0.01 0.00 -1.07 0.00 0.00 68.15 68.71 1inz h THR 105 CO 0.00 0.00 -1.23 -0.07 -0.01 0.00 0.00 175.52 174.21 1inz h LEU 106 N 0.00 0.49 -1.69 0.00 3.38 -1.73 -3.07 115.31 112.69 1inz h LEU 106 Ca 0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1inz h LEU 106 Cb 0.50 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1inz h LEU 106 CO 0.00 1.38 0.35 0.07 0.09 0.00 0.00 178.44 180.33 1inz h LYS 107 N 0.11 0.00 0.00 1.13 5.09 -0.95 0.03 116.57 121.98 1inz h LYS 107 Ca -0.14 0.00 -0.28 0.00 0.09 0.00 0.00 60.65 60.32 1inz h LYS 107 Cb 1.94 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 34.22 1inz h LYS 107 CO 0.21 0.00 -2.14 -0.25 -2.09 0.00 0.00 179.45 175.17 1inz n ASP 108 N -2.71 0.77 -4.40 7.07 8.00 -1.21 -4.90 116.55 119.17 1inz n ASP 108 Ca -0.02 0.00 -0.49 0.00 0.71 0.00 0.00 54.79 54.99 1inz n ASP 108 Cb 0.39 1.02 -0.11 0.00 -0.02 0.00 0.00 41.12 42.40 1inz n ASP 108 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1inz n PHE 109 N -2.58 1.04 -3.71 1.24 -0.00 -0.00 -4.87 117.46 108.58 1inz n PHE 109 Ca -0.25 0.48 -0.14 0.00 -0.00 0.00 0.00 57.45 57.54 1inz n PHE 109 Cb 1.00 -2.40 -0.14 0.00 -0.00 0.00 0.00 39.48 37.94 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 7.34 0.14 -0.20 -4.13 1.03 -1.26 -4.93 119.66 117.66 1inz s GLN 110 Ca 1.22 0.56 -0.02 0.00 0.04 0.00 0.00 55.36 57.16 1inz s GLN 110 Cb -1.18 -0.14 0.06 0.00 0.03 0.00 0.00 33.01 31.78 1inz s GLN 110 CO 0.53 -0.22 0.02 -0.47 -2.54 0.00 0.00 175.29 172.62 1inz s TYR 111 N 1.70 1.20 -0.30 9.60 6.14 -1.26 -5.00 117.35 129.43 1inz s TYR 111 Ca -0.05 -0.97 0.20 0.00 0.64 0.00 0.00 57.07 56.89 1inz s TYR 111 Cb -0.11 -1.10 0.48 0.00 0.42 0.00 0.00 41.96 41.64 1inz s TYR 111 CO -0.08 -0.63 1.01 0.28 0.64 0.00 0.00 175.55 176.78 1inz n VAL 112 N 5.00 1.06 0.00 3.14 0.31 -1.26 -4.81 118.33 121.78 1inz n VAL 112 Ca -0.09 -2.97 0.00 0.00 -0.01 0.00 0.00 64.34 61.26 1inz n VAL 112 Cb 0.47 0.89 0.00 0.00 -0.91 0.00 0.00 33.84 34.29 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 -0.25 0.00 -0.14 4.52 9.92 -1.26 -4.02 116.55 125.32 1inz n ASP 113 Ca 0.08 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.30 1inz n ASP 113 Cb 0.81 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 41.34 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 0.24 0.00 -1.24 -0.00 -2.04 -3.35 114.38 108.00 1inz h ARG 114 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1inz h ARG 114 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 29.91 1inz h ARG 114 CO 0.00 0.16 0.00 -0.25 -0.00 0.00 0.00 179.97 179.88 1inz n ASP 115 N -5.07 0.00 0.00 0.08 8.00 -1.26 -5.09 116.55 113.21 1inz n ASP 115 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1inz n ASP 115 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1inz n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1inz n GLY 116 N 1.37 4.19 1.83 0.44 0.00 -1.26 -5.09 105.19 106.68 1inz n GLY 116 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1inz n GLY 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1inz n LYS 117 N -1.75 -5.16 -2.73 1.61 4.81 -1.26 -4.82 118.16 108.87 1inz n LYS 117 Ca 0.00 3.75 -0.42 0.00 -0.87 0.00 0.00 58.31 60.77 1inz n LYS 117 Cb 0.00 -4.15 -0.03 0.00 0.02 0.00 0.00 35.03 30.87 1inz n LYS 117 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1inz s ASP 118 N -2.32 7.29 0.00 3.14 -1.08 -1.26 -4.85 116.67 117.59 1inz s ASP 118 Ca 0.00 1.57 0.00 0.00 -0.52 0.00 0.00 52.55 53.60 1inz s ASP 118 Cb 0.00 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1inz s ASP 118 CO 0.00 -0.33 0.00 0.00 0.52 0.00 0.00 175.17 175.36 1inz n GLN 119 N 4.35 0.80 -1.74 4.34 10.64 -1.26 -4.95 117.38 129.56 1inz n GLN 119 Ca 0.07 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 55.03 1inz n GLN 119 Cb 0.50 -0.81 -0.06 0.00 -0.86 0.00 0.00 30.24 29.01 1inz n GLN 119 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1inz s GLY 120 N -3.18 -0.43 0.00 2.61 0.00 -1.26 -4.41 107.32 100.65 1inz s GLY 120 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1inz s GLY 120 CO 0.00 3.95 0.00 1.55 0.00 0.00 0.00 173.10 178.60 1inz n VAL 121 N 8.37 0.00 -0.62 1.40 3.14 -1.26 -4.62 118.33 124.74 1inz n VAL 121 Ca 0.43 0.00 0.48 0.00 -2.96 0.00 0.00 64.34 62.29 1inz n VAL 121 Cb 0.46 -0.49 0.76 0.00 -1.06 0.00 0.00 33.84 33.50 1inz n VAL 121 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1inz n ASN 122 N -2.24 0.06 -0.08 6.55 5.15 -1.26 -0.09 115.26 123.35 1inz n ASN 122 Ca 0.00 1.07 -0.13 0.00 -0.60 0.00 0.00 54.58 54.92 1inz n ASN 122 Cb 0.26 -0.53 -0.09 0.00 -0.53 0.00 0.00 39.78 38.89 1inz n ASN 122 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1inz h VAL 123 N 0.00 1.10 -0.91 3.44 2.07 -1.93 -2.82 116.25 117.19 1inz h VAL 123 Ca 0.89 -1.95 0.26 0.00 0.82 0.00 0.00 66.70 66.72 1inz h VAL 123 Cb 3.40 2.20 -0.15 0.00 -1.52 0.00 0.00 31.29 35.22 1inz h VAL 123 CO -0.14 0.37 0.29 0.03 0.02 0.00 0.00 177.57 178.14 1inz h ARG 124 N -1.00 0.20 0.08 1.57 3.08 -0.69 -1.24 114.38 116.39 1inz h ARG 124 Ca -0.09 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.82 1inz h ARG 124 Cb 0.86 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.88 1inz h ARG 124 CO -0.06 0.13 -0.55 0.93 -1.07 0.00 0.00 179.97 179.36 1inz h GLU 125 N 0.21 0.22 0.03 0.04 4.39 -1.53 -3.05 114.58 114.89 1inz h GLU 125 Ca 0.60 -0.35 0.03 0.00 0.34 0.00 0.00 59.36 59.98 1inz h GLU 125 Cb 1.26 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.99 1inz h GLU 125 CO -0.67 1.15 -0.30 -0.22 -1.16 0.00 0.00 179.01 177.81 1inz h LYS 126 N -0.52 -0.44 -0.68 2.33 3.64 -1.08 -1.06 116.57 118.76 1inz h LYS 126 Ca -0.09 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1inz h LYS 126 Cb 1.40 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 33.26 1inz h LYS 126 CO 0.10 -0.30 0.35 0.00 -2.27 0.00 0.00 179.45 177.33 1inz h ALA 127 N 0.29 0.92 -0.53 5.00 0.00 -1.40 -0.79 119.26 122.74 1inz h ALA 127 Ca 0.06 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1inz h ALA 127 Cb 0.53 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1inz h ALA 127 CO -0.24 -0.03 0.35 -0.22 0.00 0.00 0.00 179.25 179.12 1inz h LYS 128 N 0.61 0.58 0.19 0.00 3.64 -1.24 -2.89 116.57 117.47 1inz h LYS 128 Ca 0.32 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1inz h LYS 128 Cb 0.29 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1inz h LYS 128 CO -0.24 0.39 -0.09 1.96 -2.27 0.00 0.00 179.45 179.20 1inz h GLN 129 N 0.60 -0.25 -1.17 1.90 4.20 0.09 -2.52 115.11 117.96 1inz h GLN 129 Ca 0.21 0.02 0.33 0.00 0.06 0.00 0.00 58.65 59.27 1inz h GLN 129 Cb 0.11 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 27.86 1inz h GLN 129 CO -0.06 0.14 0.79 1.25 -0.67 0.00 0.00 178.83 180.29 1inz h LEU 130 N -0.73 0.23 -0.08 1.46 6.46 -1.22 0.42 115.31 121.85 1inz h LEU 130 Ca -0.03 0.06 -0.24 0.00 -0.12 0.00 0.00 57.88 57.55 1inz h LEU 130 Cb 0.50 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1inz h LEU 130 CO 0.04 0.01 -1.04 0.58 -0.62 0.00 0.00 178.44 177.41 1inz h VAL 131 N 0.18 1.44 -0.18 1.05 2.07 -1.43 -3.18 116.25 116.19 1inz h VAL 131 Ca 0.63 -2.66 0.03 0.00 0.82 0.00 0.00 66.70 65.52 1inz h VAL 131 Cb 2.03 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 34.37 1inz h VAL 131 CO -0.19 0.79 -0.00 0.00 0.02 0.00 0.00 177.57 178.18 1inz h ALA 132 N 0.70 0.15 0.66 1.67 0.00 0.29 -1.62 119.26 121.11 1inz h ALA 132 Ca -0.10 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1inz h ALA 132 Cb 1.71 0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.59 1inz h ALA 132 CO 0.18 -0.44 -0.32 -0.07 0.00 0.00 0.00 179.25 178.60 1inz h LEU 133 N 0.06 -0.76 -1.90 0.00 3.38 -1.58 -1.90 115.31 112.61 1inz h LEU 133 Ca 0.08 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1inz h LEU 133 Cb 0.11 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1inz h LEU 133 CO -0.15 -0.51 0.41 -0.07 0.09 0.00 0.00 178.44 178.21 1inz h LEU 134 N -0.94 0.00 -6.71 1.67 4.07 -1.51 -3.16 115.31 108.72 1inz h LEU 134 Ca -0.09 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.27 1inz h LEU 134 Cb 0.70 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 42.04 1inz h LEU 134 CO 0.15 0.00 -0.80 -0.60 -1.08 0.00 0.00 178.44 176.11 1inz s ARG 135 N -4.27 1.41 0.28 1.13 3.52 -0.62 -4.90 118.95 115.51 1inz s ARG 135 Ca -0.03 -2.39 0.00 0.00 -0.13 0.00 0.00 55.73 53.17 1inz s ARG 135 Cb 0.11 -2.17 0.00 0.00 -1.56 0.00 0.00 34.95 31.32 1inz s ARG 135 CO 0.35 -1.30 0.00 -3.47 -0.81 0.00 0.00 175.30 170.07 1inz n ASP 136 N 2.81 -1.32 -4.20 -2.12 2.03 -1.12 -4.69 116.55 107.94 1inz n ASP 136 Ca 0.21 0.51 -0.12 0.00 0.52 0.00 0.00 54.79 55.92 1inz n ASP 136 Cb 0.41 1.38 -0.10 0.00 -0.72 0.00 0.00 41.12 42.09 1inz n ASP 136 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1inz s GLU 137 N -2.00 1.06 0.37 -0.67 2.02 -1.26 -5.14 118.70 113.07 1inz s GLU 137 Ca 0.00 -1.52 0.03 0.00 0.02 0.00 0.00 54.97 53.50 1inz s GLU 137 Cb 0.00 0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.23 1inz s GLU 137 CO 0.00 -0.24 0.10 -0.51 0.02 0.00 0.00 175.26 174.63 1inz s ASP 138 N -3.12 2.47 -0.44 -0.19 1.11 -1.26 -5.08 116.67 110.16 1inz s ASP 138 Ca 0.27 -1.55 0.07 0.00 0.18 0.00 0.00 52.55 51.52 1inz s ASP 138 Cb 0.07 0.29 0.26 0.00 1.07 0.00 0.00 42.92 44.61 1inz s ASP 138 CO 0.05 -0.81 0.75 -1.14 1.18 0.00 0.00 175.17 175.19 1inz n ARG 139 N -0.79 0.79 -1.03 8.23 0.00 -1.26 -5.14 116.66 117.46 1inz n ARG 139 Ca -0.04 -2.50 -0.29 0.00 -0.00 0.00 0.00 57.85 55.02 1inz n ARG 139 Cb 0.66 -1.35 0.21 0.00 0.00 0.00 0.00 32.46 31.98 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 -1.20 1.18 -0.82 6.15 1.43 -1.26 -4.99 118.68 119.18 1inz s LEU 140 Ca 0.33 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 54.55 1inz s LEU 140 Cb 0.22 -3.14 0.20 0.00 0.03 0.00 0.00 46.19 43.50 1inz s LEU 140 CO -0.16 -3.58 0.67 -0.60 0.23 0.00 0.00 176.35 172.91 1inz s ARG 141 N -4.96 2.97 0.17 1.70 3.52 -1.26 -4.78 118.95 116.30 1inz s ARG 141 Ca 0.67 -3.28 0.00 0.00 -0.13 0.00 0.00 55.73 52.99 1inz s ARG 141 Cb -0.18 -3.76 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 1inz s ARG 141 CO 0.59 -1.27 0.00 -1.91 -0.81 0.00 0.00 175.30 171.90 1inz n GLU 142 N 2.24 0.00 0.00 5.12 2.13 -1.26 -5.03 120.64 123.84 1inz n GLU 142 Ca 0.20 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.02 1inz n GLU 142 Cb 0.36 -0.12 0.00 0.00 0.27 0.00 0.00 31.44 31.95 1inz n GLU 142 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1inz n GLU 143 N -3.21 0.00 0.00 5.31 2.13 -1.26 -5.35 120.64 118.26 1inz n GLU 143 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1inz n GLU 143 Cb 0.00 -0.52 0.00 0.00 0.27 0.00 0.00 31.44 31.19 1inz n GLU 143 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59