#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 2.65 0.00 1.61 0.01 -1.26 -4.98 113.70 111.73 1inz s SER -2 Ca 0.00 -0.48 0.17 0.00 1.31 0.00 0.00 55.95 56.95 1inz s SER -2 Cb 0.00 -1.21 0.29 0.00 0.21 0.00 0.00 66.02 65.31 1inz s SER -2 CO 0.00 0.07 1.10 -1.20 0.41 0.00 0.00 173.24 173.61 1inz n SER -1 N 3.94 0.50 -2.72 2.44 7.64 -1.26 -4.95 113.62 119.21 1inz n SER -1 Ca -0.20 -1.97 -0.07 0.00 1.01 0.00 0.00 58.87 57.65 1inz n SER -1 Cb 0.52 -0.18 0.07 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.33 0.64 0.00 1.43 3.00 -1.26 -4.97 116.66 115.83 1inz n ARG 0 Ca -0.01 -1.47 0.11 0.00 -0.00 0.00 0.00 57.85 56.48 1inz n ARG 0 Cb 0.99 -1.02 0.01 0.00 0.00 0.00 0.00 32.46 32.45 1inz n ARG 0 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1inz n MET 1 N 1.27 1.40 -2.39 -0.14 1.56 -1.26 -5.00 117.12 112.55 1inz n MET 1 Ca 0.06 -1.11 -0.05 0.00 -0.27 0.00 0.00 57.70 56.32 1inz n MET 1 Cb 0.67 -1.46 0.00 0.00 2.15 0.00 0.00 33.22 34.59 1inz n MET 1 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1inz n SER 2 N 0.16 -0.84 -2.91 6.12 3.41 -1.26 -5.11 113.62 113.20 1inz n SER 2 Ca 0.10 -1.76 -0.13 0.00 -0.26 0.00 0.00 58.87 56.82 1inz n SER 2 Cb 0.47 1.45 0.03 0.00 -0.26 0.00 0.00 64.21 65.90 1inz n SER 2 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1inz n THR 3 N -0.24 -0.13 -4.07 6.66 5.66 -1.26 -5.13 114.28 115.77 1inz n THR 3 Ca -0.02 -2.57 -0.04 0.00 -3.05 0.00 0.00 64.05 58.37 1inz n THR 3 Cb 0.26 0.63 -0.01 0.00 -1.55 0.00 0.00 70.33 69.65 1inz n THR 3 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1inz n SER 4 N 0.76 0.17 -4.12 1.09 7.64 -1.26 -5.18 113.62 112.72 1inz n SER 4 Ca 0.13 -1.42 -0.09 0.00 1.01 0.00 0.00 58.87 58.50 1inz n SER 4 Cb 0.65 0.29 -0.10 0.00 -1.01 0.00 0.00 64.21 64.04 1inz n SER 4 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1inz s SER 5 N -1.46 0.82 -0.42 6.43 0.01 -1.26 -4.96 113.70 112.86 1inz s SER 5 Ca 0.07 -0.97 -0.27 0.00 1.31 0.00 0.00 55.95 56.09 1inz s SER 5 Cb 0.00 0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.41 1inz s SER 5 CO 0.05 -0.51 0.59 0.18 0.41 0.00 0.00 173.24 173.96 1inz n LEU 6 N 0.14 -5.08 0.00 2.44 4.77 -1.26 -4.94 117.00 113.07 1inz n LEU 6 Ca -0.14 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1inz n LEU 6 Cb 0.60 -2.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.26 1inz n LEU 6 CO 0.28 -1.19 -0.38 -1.14 -1.33 0.00 0.00 177.39 173.63 1inz n ARG 7 N -0.14 1.40 0.00 3.23 3.00 -1.26 -5.00 116.66 117.90 1inz n ARG 7 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 1inz n ARG 7 Cb 0.56 -0.87 0.00 0.00 0.00 0.00 0.00 32.46 32.14 1inz n ARG 7 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1inz n ARG 8 N -1.21 0.00 -4.34 -0.14 -4.01 -1.26 -5.02 116.66 100.67 1inz n ARG 8 Ca 0.00 0.00 -0.38 0.00 -1.04 0.00 0.00 57.85 56.43 1inz n ARG 8 Cb 0.00 0.00 -0.08 0.00 -3.04 0.00 0.00 32.46 29.34 1inz n ARG 8 CO 0.00 0.00 0.00 0.94 -3.04 0.00 0.00 177.63 175.53 1inz n GLN 9 N -1.97 -0.78 -2.25 2.89 7.27 -1.26 -4.89 117.38 116.38 1inz n GLN 9 Ca 0.00 0.12 -0.25 0.00 0.07 0.00 0.00 57.00 56.94 1inz n GLN 9 Cb 0.00 -4.18 0.07 0.00 2.41 0.00 0.00 30.24 28.54 1inz n GLN 9 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1inz s MET 10 N -6.98 2.21 0.00 3.69 0.23 -1.26 -5.10 119.30 112.10 1inz s MET 10 Ca 0.58 -0.33 0.00 0.00 -1.03 0.00 0.00 55.69 54.92 1inz s MET 10 Cb -0.34 -2.21 0.00 0.00 -1.53 0.00 0.00 34.83 30.75 1inz s MET 10 CO 0.97 -1.19 0.00 0.36 -2.03 0.00 0.00 175.02 173.12 1inz n LYS 11 N -2.86 2.29 -3.75 3.16 2.85 -1.26 -5.12 118.16 113.47 1inz n LYS 11 Ca 0.08 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.22 1inz n LYS 11 Cb 0.60 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.88 1inz n LYS 11 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1inz s ASN 12 N -1.00 -0.37 0.58 -5.58 -0.87 -1.26 -5.15 114.94 101.29 1inz s ASN 12 Ca 0.00 0.71 -0.17 0.00 -1.57 0.00 0.00 52.86 51.82 1inz s ASN 12 Cb 0.00 0.69 -0.04 0.00 -0.02 0.00 0.00 41.25 41.88 1inz s ASN 12 CO 0.00 -0.13 1.08 -0.63 -2.57 0.00 0.00 177.10 174.85 1inz s ILE 13 N 0.39 3.51 1.02 0.60 1.01 -1.26 -4.97 121.20 121.49 1inz s ILE 13 Ca -0.02 0.80 -0.22 0.00 0.00 0.00 0.00 60.65 61.22 1inz s ILE 13 Cb -0.04 -3.30 -0.11 0.00 0.01 0.00 0.00 42.46 39.03 1inz s ILE 13 CO -0.02 -0.33 -0.88 0.52 0.00 0.00 0.00 174.94 174.23 1inz n VAL 14 N -1.75 0.00 -0.10 2.92 0.31 -1.26 -4.92 118.33 113.53 1inz n VAL 14 Ca 0.10 -0.21 -0.11 0.00 -0.01 0.00 0.00 64.34 64.10 1inz n VAL 14 Cb 0.52 -0.17 -0.15 0.00 -0.91 0.00 0.00 33.84 33.13 1inz n VAL 14 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1inz n HIS 15 N -3.41 0.05 -3.43 3.52 8.25 -1.26 -4.93 115.22 114.00 1inz n HIS 15 Ca -0.01 0.01 -0.37 0.00 -0.26 0.00 0.00 57.72 57.10 1inz n HIS 15 Cb 0.66 -1.01 -0.06 0.00 1.12 0.00 0.00 29.99 30.70 1inz n HIS 15 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1inz s ASN 16 N -5.70 6.84 0.69 0.41 3.84 -1.26 -5.07 114.94 114.69 1inz s ASN 16 Ca -0.14 1.02 -0.12 0.00 0.21 0.00 0.00 52.86 53.83 1inz s ASN 16 Cb 0.07 -2.27 0.01 0.00 -0.55 0.00 0.00 41.25 38.51 1inz s ASN 16 CO 0.79 0.23 1.07 -0.31 -2.79 0.00 0.00 177.10 176.10 1inz s TYR 17 N -1.24 2.88 -0.09 0.43 1.51 -1.26 -4.97 117.35 114.62 1inz s TYR 17 Ca 0.30 1.49 0.03 0.00 -1.01 0.00 0.00 57.07 57.89 1inz s TYR 17 Cb -0.16 -2.99 0.11 0.00 -0.11 0.00 0.00 41.96 38.80 1inz s TYR 17 CO 0.17 -1.41 0.74 -1.13 -1.11 0.00 0.00 175.55 172.80 1inz n SER 18 N -2.90 -0.49 -1.89 2.29 3.41 -1.26 -4.99 113.62 107.80 1inz n SER 18 Ca 0.09 -1.24 -0.21 0.00 -0.26 0.00 0.00 58.87 57.25 1inz n SER 18 Cb 0.53 0.21 0.14 0.00 -0.26 0.00 0.00 64.21 64.83 1inz n SER 18 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1inz n GLU 19 N -0.41 2.43 -0.14 4.33 1.02 -1.26 -4.64 120.64 121.98 1inz n GLU 19 Ca -0.08 -3.32 -0.12 0.00 -0.02 0.00 0.00 57.16 53.63 1inz n GLU 19 Cb 0.57 -2.11 -0.01 0.00 -0.02 0.00 0.00 31.44 29.87 1inz n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1inz h ALA 20 N 1.44 0.59 -0.29 0.62 0.00 -1.94 -2.69 119.26 116.99 1inz h ALA 20 Ca 0.46 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1inz h ALA 20 Cb 1.74 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1inz h ALA 20 CO 0.96 0.58 0.31 1.05 0.00 0.00 0.00 179.25 182.14 1inz h GLU 21 N 0.72 0.00 0.13 0.00 -0.00 -1.82 -1.40 114.58 112.20 1inz h GLU 21 Ca 0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 59.36 59.27 1inz h GLU 21 Cb 0.80 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.57 1inz h GLU 21 CO 0.07 0.00 -0.80 0.82 -0.00 0.00 0.00 179.01 179.10 1inz h ILE 22 N 0.00 1.50 -0.18 -1.06 2.04 -1.84 -3.02 117.51 114.95 1inz h ILE 22 Ca 0.14 -2.52 -0.03 0.00 1.00 0.00 0.00 64.86 63.45 1inz h ILE 22 Cb 0.75 3.18 -0.01 0.00 -0.74 0.00 0.00 36.82 40.00 1inz h ILE 22 CO -0.00 0.71 -0.03 0.11 0.00 0.00 0.00 178.15 178.94 1inz h LYS 23 N -0.42 0.27 -0.26 2.37 1.57 -1.16 -2.57 116.57 116.37 1inz h LYS 23 Ca -0.14 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.43 1inz h LYS 23 Cb 1.61 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.87 1inz h LYS 23 CO 0.13 0.32 -0.47 0.28 -0.57 0.00 0.00 179.45 179.14 1inz h VAL 24 N 0.26 1.29 -0.80 0.50 2.07 -1.38 -1.65 116.25 116.55 1inz h VAL 24 Ca 0.06 -1.67 0.06 0.00 0.82 0.00 0.00 66.70 65.97 1inz h VAL 24 Cb 0.23 1.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 1inz h VAL 24 CO 0.01 0.54 0.48 -0.09 0.02 0.00 0.00 177.57 178.52 1inz h ARG 25 N 0.52 0.84 -0.15 1.57 2.43 -1.32 -1.06 114.38 117.21 1inz h ARG 25 Ca 0.01 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 58.93 1inz h ARG 25 Cb 1.08 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1inz h ARG 25 CO 0.11 0.56 -0.72 1.49 -1.51 0.00 0.00 179.97 179.90 1inz h GLU 26 N 0.87 0.67 0.00 0.20 4.81 -1.47 -2.96 114.58 116.70 1inz h GLU 26 Ca 0.35 -0.52 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1inz h GLU 26 Cb 0.19 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1inz h GLU 26 CO -0.18 1.14 -0.04 0.00 -0.73 0.00 0.00 179.01 179.20 1inz h ALA 27 N 0.72 1.15 -0.89 2.92 0.00 -0.56 -2.15 119.26 120.44 1inz h ALA 27 Ca -0.03 -0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.29 1inz h ALA 27 Cb 1.32 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.82 1inz h ALA 27 CO 0.14 0.05 0.52 0.25 0.00 0.00 0.00 179.25 180.22 1inz n THR 28 N -3.35 3.25 -3.15 0.00 -2.24 -0.47 -4.56 114.28 103.76 1inz n THR 28 Ca -0.02 -2.67 0.06 0.00 -2.27 0.00 0.00 64.05 59.15 1inz n THR 28 Cb 0.18 -0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 67.59 1inz n THR 28 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1inz s SER 29 N -1.90 -0.15 0.10 3.42 0.01 -0.81 -4.70 113.70 109.67 1inz s SER 29 Ca 0.58 0.07 -0.00 0.00 1.31 0.00 0.00 55.95 57.91 1inz s SER 29 Cb 0.48 1.12 -0.00 0.00 0.21 0.00 0.00 66.02 67.82 1inz s SER 29 CO 0.04 -0.03 -0.00 -3.20 0.41 0.00 0.00 173.24 170.46 1inz n ASN 30 N 5.38 1.10 -1.37 2.44 2.85 -1.26 -4.78 115.26 119.61 1inz n ASN 30 Ca -0.04 0.14 0.19 0.00 -0.11 0.00 0.00 54.58 54.75 1inz n ASN 30 Cb 0.56 -0.34 -0.05 0.00 1.24 0.00 0.00 39.78 41.19 1inz n ASN 30 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1inz n ASP 31 N -3.50 -8.14 -3.93 1.20 9.92 -1.26 -4.80 116.55 106.05 1inz n ASP 31 Ca -0.00 1.47 -0.29 0.00 -0.53 0.00 0.00 54.79 55.44 1inz n ASP 31 Cb 0.01 -4.13 0.27 0.00 -0.64 0.00 0.00 41.12 36.64 1inz n ASP 31 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1inz n PRO 32 N -4.07 -3.57 0.00 -0.24 -0.02 -1.26 -4.75 135.00 121.08 1inz n PRO 32 Ca 0.01 -1.04 0.00 0.00 -2.02 0.00 0.00 63.50 60.45 1inz n PRO 32 Cb 0.62 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 -5.37 -0.05 0.00 6.00 8.01 -1.26 -4.98 117.44 119.79 1inz n TRP 33 Ca 0.07 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.26 1inz n TRP 33 Cb 0.57 0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.88 1inz n TRP 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1inz n GLY 34 N 0.00 -1.55 3.77 6.99 0.00 -1.26 -4.98 105.19 108.15 1inz n GLY 34 Ca 0.00 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 1inz n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1inz s PRO 35 N -5.51 3.05 0.10 1.61 0.04 -1.26 -5.05 135.00 127.99 1inz s PRO 35 Ca 0.00 1.58 0.08 0.00 0.04 0.00 0.00 61.00 62.71 1inz s PRO 35 Cb 0.00 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1inz s PRO 35 CO 0.00 -1.08 -0.17 -1.12 0.04 0.00 0.00 177.00 174.67 1inz s SER 36 N -2.01 3.94 -0.25 6.66 0.01 -1.26 -5.12 113.70 115.66 1inz s SER 36 Ca 0.72 -0.52 -0.37 0.00 1.31 0.00 0.00 55.95 57.09 1inz s SER 36 Cb -0.24 -0.59 0.15 0.00 0.21 0.00 0.00 66.02 65.55 1inz s SER 36 CO 0.33 0.19 1.35 -0.94 0.41 0.00 0.00 173.24 174.58 1inz s SER 37 N -2.05 -0.04 -0.59 2.44 1.04 -1.26 -5.07 113.70 108.18 1inz s SER 37 Ca 0.18 -0.00 -0.26 0.00 0.48 0.00 0.00 55.95 56.35 1inz s SER 37 Cb -0.11 0.04 -0.09 0.00 0.10 0.00 0.00 66.02 65.97 1inz s SER 37 CO 0.10 -0.07 2.41 -0.44 0.98 0.00 0.00 173.24 176.22 1inz s SER 38 N -2.13 4.26 -0.00 7.02 0.01 -1.26 -4.66 113.70 116.94 1inz s SER 38 Ca 0.11 0.76 0.10 0.00 1.31 0.00 0.00 55.95 58.23 1inz s SER 38 Cb -0.00 -2.52 -0.11 0.00 0.21 0.00 0.00 66.02 63.60 1inz s SER 38 CO -0.03 -3.20 0.42 -0.11 0.41 0.00 0.00 173.24 170.73 1inz n LEU 39 N 16.80 0.45 -0.06 2.44 7.94 -1.26 -4.53 117.00 138.78 1inz n LEU 39 Ca 0.40 -0.47 -0.20 0.00 -1.11 0.00 0.00 56.01 54.62 1inz n LEU 39 Cb 0.51 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.34 1inz n LEU 39 CO 0.66 0.11 -0.34 0.24 -1.11 0.00 0.00 177.39 176.96 1inz h MET 40 N 0.00 0.08 0.00 1.96 2.86 -1.95 -3.22 114.93 114.66 1inz h MET 40 Ca 0.00 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1inz h MET 40 Cb 0.25 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1inz h MET 40 CO 0.00 1.07 0.11 1.03 1.06 0.00 0.00 176.91 180.17 1inz h SER 41 N -0.74 0.00 0.00 1.22 0.87 -1.97 -2.40 113.55 110.53 1inz h SER 41 Ca -0.27 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 1inz h SER 41 Cb 1.42 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1inz h SER 41 CO -0.08 0.00 -0.13 -0.08 -0.53 0.00 0.00 176.83 176.01 1inz h GLU 42 N 0.00 0.00 -0.98 2.24 4.22 -1.80 -2.92 114.58 115.34 1inz h GLU 42 Ca 0.00 0.00 0.24 0.00 0.08 0.00 0.00 59.36 59.68 1inz h GLU 42 Cb 0.21 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.38 1inz h GLU 42 CO 0.00 0.19 0.64 0.82 -2.18 0.00 0.00 179.01 178.48 1inz h ILE 43 N -1.00 0.60 0.28 2.32 2.04 -1.50 -0.86 117.51 119.38 1inz h ILE 43 Ca -0.01 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1inz h ILE 43 Cb 0.28 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1inz h ILE 43 CO -0.01 0.07 -0.13 0.00 0.00 0.00 0.00 178.15 178.08 1inz h ALA 44 N 1.60 -0.37 -0.15 1.87 0.00 -1.55 -1.70 119.26 118.96 1inz h ALA 44 Ca 0.54 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.30 1inz h ALA 44 Cb 1.37 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1inz h ALA 44 CO -0.23 -0.53 0.43 -0.44 0.00 0.00 0.00 179.25 178.48 1inz h ASP 45 N -0.74 0.00 0.38 0.00 3.32 -0.99 0.35 116.42 118.75 1inz h ASP 45 Ca -0.04 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.69 1inz h ASP 45 Cb 0.49 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.06 1inz h ASP 45 CO 0.06 0.00 -1.48 -0.07 -1.72 0.00 0.00 179.24 176.04 1inz h LEU 46 N 0.00 0.62 -0.96 1.55 3.38 -0.72 -3.29 115.31 115.89 1inz h LEU 46 Ca 0.07 -0.73 0.21 0.00 0.09 0.00 0.00 57.88 57.52 1inz h LEU 46 Cb 0.92 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.36 1inz h LEU 46 CO -0.00 1.58 0.54 0.71 0.09 0.00 0.00 178.44 181.36 1inz h THR 47 N 0.11 0.60 -0.84 0.22 1.35 0.59 0.16 112.91 115.09 1inz h THR 47 Ca -0.24 -0.21 0.21 0.00 -0.55 0.00 0.00 66.41 65.62 1inz h THR 47 Cb 2.08 -0.06 -0.15 0.00 -1.73 0.00 0.00 68.15 68.29 1inz h THR 47 CO 0.22 0.11 0.03 1.88 -0.25 0.00 0.00 175.52 177.51 1inz h TYR 48 N 0.61 -0.02 -0.82 4.73 0.05 -1.61 -3.25 116.97 116.65 1inz h TYR 48 Ca 0.58 0.06 -0.32 0.00 0.05 0.00 0.00 58.73 59.10 1inz h TYR 48 Cb 1.01 0.15 -0.05 0.00 1.01 0.00 0.00 36.73 38.85 1inz h TYR 48 CO -0.04 -0.30 0.80 -0.80 -1.05 0.00 0.00 178.16 176.77 1inz s ASN 49 N -5.14 5.20 0.00 3.88 -0.87 0.54 -4.83 114.94 113.73 1inz s ASN 49 Ca -0.13 -0.63 0.00 0.00 -1.57 0.00 0.00 52.86 50.52 1inz s ASN 49 Cb 0.25 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.92 1inz s ASN 49 CO 0.76 -2.67 0.00 1.33 -2.57 0.00 0.00 177.10 173.95 1inz n VAL 50 N 7.79 0.00 0.27 1.60 0.24 -1.23 0.17 118.33 127.18 1inz n VAL 50 Ca 0.38 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.58 1inz n VAL 50 Cb 0.47 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.79 1inz n VAL 50 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1inz h VAL 51 N 0.00 0.00 -0.89 3.34 2.07 -1.88 -2.74 116.25 116.15 1inz h VAL 51 Ca 0.00 -0.05 0.27 0.00 0.82 0.00 0.00 66.70 67.74 1inz h VAL 51 Cb 0.00 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.60 1inz h VAL 51 CO 0.00 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.70 1inz n ALA 52 N -2.39 0.55 0.22 1.67 0.00 0.45 0.19 120.51 121.21 1inz n ALA 52 Ca -0.09 0.95 -0.15 0.00 0.00 0.00 0.00 53.44 54.15 1inz n ALA 52 Cb 0.28 -0.74 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.48 -0.66 0.00 3.57 -1.37 0.06 116.94 118.06 1inz h PHE 53 Ca 0.59 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 62.26 1inz h PHE 53 Cb 1.30 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 40.17 1inz h PHE 53 CO -0.37 -0.27 0.47 1.03 -2.23 0.00 0.00 178.31 176.95 1inz h SER 54 N -0.56 0.03 1.05 0.41 0.87 0.05 0.24 113.55 115.64 1inz h SER 54 Ca -0.05 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.31 1inz h SER 54 Cb 0.42 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1inz h SER 54 CO 0.09 0.01 -0.95 -0.33 -0.53 0.00 0.00 176.83 175.12 1inz h GLU 55 N 0.03 0.00 0.00 2.24 4.39 -0.55 -3.01 114.58 117.68 1inz h GLU 55 Ca 0.31 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.01 1inz h GLU 55 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1inz h GLU 55 CO -0.01 0.93 -0.00 0.82 -1.16 0.00 0.00 179.01 179.59 1inz h ILE 56 N 0.00 0.00 -1.19 3.13 2.04 0.14 -3.11 117.51 118.52 1inz h ILE 56 Ca -0.01 -0.03 0.35 0.00 1.00 0.00 0.00 64.86 66.16 1inz h ILE 56 Cb 1.73 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.70 1inz h ILE 56 CO 0.12 0.00 0.78 -0.03 0.00 0.00 0.00 178.15 179.02 1inz h MET 57 N -0.04 0.22 0.33 2.37 4.05 -1.41 -0.90 114.93 119.55 1inz h MET 57 Ca -0.00 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 1inz h MET 57 Cb 0.00 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1inz h MET 57 CO 0.00 0.14 -0.19 1.03 0.23 0.00 0.00 176.91 178.12 1inz h SER 58 N 0.22 -0.49 0.00 1.39 0.87 -1.63 -0.14 113.55 113.78 1inz h SER 58 Ca 0.69 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.27 1inz h SER 58 Cb 2.05 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 64.15 1inz h SER 58 CO -0.31 -0.31 0.08 0.24 -0.53 0.00 0.00 176.83 176.01 1inz h MET 59 N -0.49 0.00 0.06 2.24 2.07 -1.25 0.16 114.93 117.72 1inz h MET 59 Ca -0.05 0.00 -0.24 0.00 -2.07 0.00 0.00 59.70 57.35 1inz h MET 59 Cb 0.39 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.11 1inz h MET 59 CO 0.05 0.00 -1.09 0.82 1.07 0.00 0.00 176.91 177.76 1inz h ILE 60 N 0.00 1.56 -0.01 -1.22 2.04 -0.33 -3.08 117.51 116.47 1inz h ILE 60 Ca 0.00 -3.07 -0.22 0.00 1.00 0.00 0.00 64.86 62.58 1inz h ILE 60 Cb 0.16 2.81 0.02 0.00 -0.74 0.00 0.00 36.82 39.07 1inz h ILE 60 CO 0.00 0.89 -0.85 -0.50 0.00 0.00 0.00 178.15 177.69 1inz h TRP 61 N 0.06 0.87 0.70 1.37 -0.00 0.85 -2.34 115.95 117.46 1inz h TRP 61 Ca -0.08 -0.47 -0.03 0.00 -0.00 0.00 0.00 58.89 58.31 1inz h TRP 61 Cb 1.81 -0.10 0.00 0.00 -0.00 0.00 0.00 29.16 30.87 1inz h TRP 61 CO 0.04 1.30 -0.38 0.87 -0.00 0.00 0.00 178.44 180.26 1inz h LYS 62 N 0.20 -0.97 0.00 0.49 6.56 -1.58 -1.47 116.57 119.80 1inz h LYS 62 Ca -0.10 0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1inz h LYS 62 Cb 1.52 0.22 0.00 0.00 -0.57 0.00 0.00 32.23 33.40 1inz h LYS 62 CO 0.17 -0.65 0.00 0.54 -2.06 0.00 0.00 179.45 177.45 1inz n ARG 63 N -5.54 0.06 0.18 3.15 5.12 -1.17 -1.83 116.66 116.64 1inz n ARG 63 Ca -0.14 0.38 0.08 0.00 -1.93 0.00 0.00 57.85 56.24 1inz n ARG 63 Cb 0.42 -1.63 0.10 0.00 -1.16 0.00 0.00 32.46 30.19 1inz n ARG 63 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1inz h LEU 64 N 0.00 0.00 -3.97 0.55 3.38 -0.70 -3.24 115.31 111.34 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 0.20 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.65 1inz h LEU 64 CO 0.00 0.22 0.71 -3.20 0.09 0.00 0.00 178.44 176.26 1inz n ASN 65 N -3.14 6.11 -3.51 -0.43 5.15 -0.76 -4.75 115.26 113.93 1inz n ASN 65 Ca 0.03 -3.73 0.00 0.00 -0.60 0.00 0.00 54.58 50.28 1inz n ASN 65 Cb 0.62 -0.90 0.00 0.00 -0.53 0.00 0.00 39.78 38.97 1inz n ASN 65 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1inz n ASP 66 N -1.00 -0.51 -5.00 1.20 9.92 -1.23 -5.01 116.55 114.93 1inz n ASP 66 Ca 0.60 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.67 1inz n ASP 66 Cb 1.03 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 41.53 1inz n ASP 66 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1inz s HIS 67 N -0.25 2.20 0.01 1.24 3.76 -1.25 -4.96 115.29 116.03 1inz s HIS 67 Ca 0.00 -0.56 -0.04 0.00 -0.15 0.00 0.00 55.06 54.31 1inz s HIS 67 Cb 0.00 -2.27 -0.02 0.00 1.11 0.00 0.00 32.58 31.40 1inz s HIS 67 CO 0.00 -0.67 0.95 0.78 -0.85 0.00 0.00 174.74 174.95 1inz h GLY 68 N 0.51 -0.15 0.63 -2.22 0.00 -1.90 -1.89 103.07 98.04 1inz h GLY 68 Ca -0.36 0.06 0.16 0.00 0.00 0.00 0.00 47.33 47.19 1inz h GLY 68 CO 0.45 -0.06 0.53 1.70 0.00 0.00 0.00 176.54 179.17 1inz h LYS 69 N -0.16 0.00 -1.46 4.80 3.64 -1.94 -0.05 116.57 121.41 1inz h LYS 69 Ca -0.01 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.68 1inz h LYS 69 Cb 0.11 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 31.61 1inz h LYS 69 CO 0.02 0.00 0.48 0.09 -2.27 0.00 0.00 179.45 177.78 1inz n ASN 70 N -3.82 6.81 0.23 4.20 3.02 -1.03 -4.63 115.26 120.04 1inz n ASN 70 Ca 0.11 -3.79 0.14 0.00 -0.03 0.00 0.00 54.58 51.00 1inz n ASN 70 Cb 0.75 -0.85 0.38 0.00 -0.61 0.00 0.00 39.78 39.45 1inz n ASN 70 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1inz h TRP 71 N 2.52 0.00 -0.80 3.10 5.08 -0.18 -3.30 115.95 122.37 1inz h TRP 71 Ca 0.51 0.00 0.16 0.00 1.08 0.00 0.00 58.89 60.65 1inz h TRP 71 Cb 0.60 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 26.61 1inz h TRP 71 CO 1.16 0.00 -0.19 0.00 -1.28 0.00 0.00 178.44 178.13 1inz h ARG 72 N 0.00 0.00 -0.36 0.12 3.08 -1.85 0.19 114.38 115.57 1inz h ARG 72 Ca 0.00 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1inz h ARG 72 Cb 0.79 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.78 1inz h ARG 72 CO 0.00 0.00 -0.01 0.45 -1.07 0.00 0.00 179.97 179.34 1inz h HIS 73 N 0.00 -0.04 -0.53 3.04 3.86 -1.86 -2.05 115.15 117.57 1inz h HIS 73 Ca 0.39 0.03 0.11 0.00 -1.16 0.00 0.00 60.37 59.73 1inz h HIS 73 Cb 0.60 0.07 -0.10 0.00 1.06 0.00 0.00 27.41 29.05 1inz h HIS 73 CO -0.62 -0.08 -0.13 0.28 0.86 0.00 0.00 177.93 178.24 1inz h VAL 74 N 0.09 0.47 -0.46 2.45 2.07 -0.65 -0.40 116.25 119.83 1inz h VAL 74 Ca 0.18 -0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.78 1inz h VAL 74 Cb 0.25 0.47 -0.10 0.00 -1.52 0.00 0.00 31.29 30.39 1inz h VAL 74 CO -0.30 0.00 -0.37 0.22 0.02 0.00 0.00 177.57 177.14 1inz h TYR 75 N 0.00 -1.04 0.00 1.57 3.20 -0.93 0.33 116.97 120.10 1inz h TYR 75 Ca 0.25 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 1inz h TYR 75 Cb 0.39 0.52 -0.00 0.00 1.54 0.00 0.00 36.73 39.18 1inz h TYR 75 CO -0.44 -0.40 -0.13 0.87 -1.64 0.00 0.00 178.16 176.41 1inz h LYS 76 N -0.25 0.00 0.10 1.82 6.56 -1.25 -2.84 116.57 120.70 1inz h LYS 76 Ca 0.18 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.76 1inz h LYS 76 Cb 0.56 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.22 1inz h LYS 76 CO -0.59 0.13 -0.05 0.00 -2.06 0.00 0.00 179.45 176.88 1inz h ALA 77 N 1.87 -0.59 -1.03 3.86 0.00 0.13 -3.07 119.26 120.42 1inz h ALA 77 Ca -0.00 -0.03 0.29 0.00 0.00 0.00 0.00 54.91 55.17 1inz h ALA 77 Cb 0.45 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1inz h ALA 77 CO 0.02 -0.58 0.72 0.00 0.00 0.00 0.00 179.25 179.41 1inz h MET 78 N -0.20 0.13 0.25 0.00 -0.00 -1.34 -0.91 114.93 112.86 1inz h MET 78 Ca -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1inz h MET 78 Cb 0.10 -0.03 -0.03 0.00 -0.00 0.00 0.00 31.60 31.64 1inz h MET 78 CO 0.02 0.08 -0.35 1.15 -0.00 0.00 0.00 176.91 177.82 1inz h THR 79 N 0.13 0.28 0.06 -0.10 2.02 -1.49 -0.22 112.91 113.59 1inz h THR 79 Ca 0.52 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.70 1inz h THR 79 Cb 1.81 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1inz h THR 79 CO -0.09 0.00 -0.18 0.25 0.37 0.00 0.00 175.52 175.87 1inz h LEU 80 N -0.66 -0.54 -1.73 2.58 5.85 -1.07 0.18 115.31 119.93 1inz h LEU 80 Ca -0.00 0.05 0.46 0.00 0.84 0.00 0.00 57.88 59.23 1inz h LEU 80 Cb 0.63 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.79 1inz h LEU 80 CO -0.12 -0.20 1.28 -0.03 -0.34 0.00 0.00 178.44 179.04 1inz h MET 81 N -0.27 0.00 -0.07 1.25 4.05 -1.39 0.58 114.93 119.08 1inz h MET 81 Ca -0.00 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1inz h MET 81 Cb 0.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1inz h MET 81 CO -0.09 0.00 -0.19 1.49 0.23 0.00 0.00 176.91 178.35 1inz h GLU 82 N 0.00 0.25 -0.02 0.39 4.22 0.12 -2.54 114.58 117.01 1inz h GLU 82 Ca 0.75 -0.18 -0.11 0.00 0.08 0.00 0.00 59.36 59.90 1inz h GLU 82 Cb 3.31 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 32.57 1inz h GLU 82 CO -0.01 0.79 -0.52 -0.92 -2.18 0.00 0.00 179.01 176.17 1inz h TYR 83 N -0.25 0.06 -0.01 0.92 5.03 0.89 -3.11 116.97 120.50 1inz h TYR 83 Ca -0.01 -0.02 -0.19 0.00 2.58 0.00 0.00 58.73 61.09 1inz h TYR 83 Cb 0.81 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.07 1inz h TYR 83 CO 0.12 0.56 -0.83 -0.07 -1.32 0.00 0.00 178.16 176.62 1inz h LEU 84 N 0.04 0.31 -1.81 2.82 3.38 -1.34 -2.84 115.31 115.87 1inz h LEU 84 Ca -0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1inz h LEU 84 Cb 0.94 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1inz h LEU 84 CO 0.07 1.01 -0.11 0.40 0.09 0.00 0.00 178.44 179.90 1inz h ILE 85 N 0.14 1.05 0.00 1.22 2.04 -1.38 0.64 117.51 121.23 1inz h ILE 85 Ca -0.04 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1inz h ILE 85 Cb 1.44 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1inz h ILE 85 CO 0.13 0.10 0.00 1.17 0.00 0.00 0.00 178.15 179.55 1inz n LYS 86 N -4.38 0.00 0.05 2.37 4.81 -1.19 -4.56 118.16 115.26 1inz n LYS 86 Ca -0.03 0.31 0.10 0.00 -0.87 0.00 0.00 58.31 57.83 1inz n LYS 86 Cb 0.18 -0.80 -0.08 0.00 0.02 0.00 0.00 35.03 34.36 1inz n LYS 86 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1inz n THR 87 N -1.99 0.40 0.01 3.15 5.66 -1.09 -4.46 114.28 115.96 1inz n THR 87 Ca 0.00 -0.54 -0.06 0.00 -3.05 0.00 0.00 64.05 60.40 1inz n THR 87 Cb 0.00 -0.22 -0.04 0.00 -1.55 0.00 0.00 70.33 68.53 1inz n THR 87 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1inz h GLY 88 N 3.99 -1.34 0.00 1.09 0.00 0.33 -3.43 103.07 103.70 1inz h GLY 88 Ca -0.02 0.65 0.00 0.00 0.00 0.00 0.00 47.33 47.96 1inz h GLY 88 CO 0.00 -0.44 0.00 -1.26 0.00 0.00 0.00 176.54 174.85 1inz n SER 89 N -3.58 0.00 0.09 0.19 2.88 -0.24 -3.62 113.62 109.35 1inz n SER 89 Ca -0.02 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.59 1inz n SER 89 Cb 0.14 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 63.98 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 -0.40 0.10 0.03 -1.46 -0.58 -1.26 -1.61 120.64 115.46 1inz n GLU 90 Ca 0.00 0.51 -0.06 0.00 -0.42 0.00 0.00 57.16 57.19 1inz n GLU 90 Cb 0.00 -1.76 -0.11 0.00 -0.57 0.00 0.00 31.44 29.00 1inz n GLU 90 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 1inz h ARG 91 N 0.00 0.00 -0.08 3.49 0.11 -1.93 -3.03 114.38 112.94 1inz h ARG 91 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 1inz h ARG 91 Cb 0.11 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 1inz h ARG 91 CO 0.00 0.70 -0.35 0.28 0.10 0.00 0.00 179.97 180.70 1inz h VAL 92 N 0.00 1.27 0.24 0.08 2.07 -1.59 -1.93 116.25 116.40 1inz h VAL 92 Ca -0.12 -1.31 -0.33 0.00 0.82 0.00 0.00 66.70 65.75 1inz h VAL 92 Cb 1.81 1.61 0.03 0.00 -1.52 0.00 0.00 31.29 33.22 1inz h VAL 92 CO 0.10 0.39 -1.45 0.77 0.02 0.00 0.00 177.57 177.40 1inz h SER 93 N 0.13 0.79 0.12 0.57 4.64 -1.63 -2.92 113.55 115.24 1inz h SER 93 Ca 0.02 -0.85 -0.01 0.00 -0.47 0.00 0.00 61.79 60.48 1inz h SER 93 Cb 0.69 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1inz h SER 93 CO 0.05 1.66 -0.06 1.56 -0.87 0.00 0.00 176.83 179.18 1inz h GLN 94 N 0.14 -0.15 -1.00 4.77 1.08 -1.40 -2.44 115.11 116.11 1inz h GLN 94 Ca -0.24 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.03 1inz h GLN 94 Cb 2.15 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 29.55 1inz h GLN 94 CO 0.27 -0.03 0.65 0.37 -0.95 0.00 0.00 178.83 179.14 1inz h GLN 95 N -0.23 1.16 -0.89 1.46 5.75 -1.47 -0.49 115.11 120.41 1inz h GLN 95 Ca -0.02 -0.07 0.11 0.00 -0.15 0.00 0.00 58.65 58.52 1inz h GLN 95 Cb 0.19 -0.26 -0.07 0.00 1.07 0.00 0.00 27.48 28.41 1inz h GLN 95 CO 0.03 0.77 0.57 0.00 -2.65 0.00 0.00 178.83 177.55 1inz h LYS 97 N 0.84 0.23 0.00 0.00 3.11 -0.66 -0.49 116.57 119.59 1inz h LYS 97 Ca 0.42 -0.15 -0.05 0.00 -2.81 0.00 0.00 60.65 58.06 1inz h LYS 97 Cb 0.47 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.71 1inz h LYS 97 CO -0.18 0.76 -0.23 0.93 -2.81 0.00 0.00 179.45 177.92 1inz h GLU 98 N 0.17 0.00 -0.42 1.90 5.08 -0.16 -3.14 114.58 118.01 1inz h GLU 98 Ca -0.01 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 1inz h GLU 98 Cb 1.10 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.07 1inz h GLU 98 CO 0.09 0.23 -0.77 -1.71 -1.00 0.00 0.00 179.01 175.85 1inz n ASN 99 N -3.41 3.22 0.33 1.42 4.05 -0.34 -4.78 115.26 115.74 1inz n ASN 99 Ca -0.00 -3.47 0.22 0.00 0.45 0.00 0.00 54.58 51.77 1inz n ASN 99 Cb 0.42 -0.41 1.17 0.00 1.23 0.00 0.00 39.78 42.19 1inz n ASN 99 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 177.26 174.18 1inz h MET 100 N 1.76 0.00 0.00 1.20 4.05 -1.04 -0.56 114.93 120.34 1inz h MET 100 Ca 0.15 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.42 1inz h MET 100 Cb 1.36 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.14 1inz h MET 100 CO 0.40 0.00 -0.69 1.88 0.23 0.00 0.00 176.91 178.73 1inz h TYR 101 N 0.00 0.00 0.05 1.39 0.05 -1.86 -1.52 116.97 115.07 1inz h TYR 101 Ca 0.00 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.51 1inz h TYR 101 Cb 0.03 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.79 1inz h TYR 101 CO 0.00 0.69 -1.11 0.00 -1.05 0.00 0.00 178.16 176.69 1inz h ALA 102 N 1.31 0.12 -0.06 3.88 0.00 -1.49 -1.43 119.26 121.60 1inz h ALA 102 Ca -0.01 -0.73 -0.20 0.00 0.00 0.00 0.00 54.91 53.97 1inz h ALA 102 Cb 1.34 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.21 1inz h ALA 102 CO 0.09 0.72 -0.73 -0.24 0.00 0.00 0.00 179.25 179.09 1inz h VAL 103 N 0.32 1.34 0.00 0.00 3.04 -1.56 -3.12 116.25 116.26 1inz h VAL 103 Ca -0.14 -2.03 -0.02 0.00 -1.01 0.00 0.00 66.70 63.50 1inz h VAL 103 Cb 1.76 2.30 -0.00 0.00 -2.01 0.00 0.00 31.29 33.34 1inz h VAL 103 CO 0.21 0.62 -0.09 1.56 -1.01 0.00 0.00 177.57 178.86 1inz h GLN 104 N 0.23 0.00 0.00 4.17 1.08 -1.35 -2.84 115.11 116.40 1inz h GLN 104 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1inz h GLN 104 Cb 1.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.82 1inz h GLN 104 CO 0.15 0.09 0.10 0.00 -0.95 0.00 0.00 178.83 178.22 1inz h THR 105 N 0.00 0.00 -0.04 -0.54 1.03 -1.19 -0.69 112.91 111.48 1inz h THR 105 Ca -0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 66.41 66.17 1inz h THR 105 Cb 0.57 0.53 0.01 0.00 -1.07 0.00 0.00 68.15 68.19 1inz h THR 105 CO 0.01 0.00 -0.90 -0.07 -0.01 0.00 0.00 175.52 174.55 1inz h LEU 106 N 0.00 0.69 -1.80 0.00 3.38 -1.68 -1.09 115.31 114.81 1inz h LEU 106 Ca 0.00 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1inz h LEU 106 Cb 0.20 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1inz h LEU 106 CO 0.00 1.31 0.25 0.07 0.09 0.00 0.00 178.44 180.16 1inz h LYS 107 N 0.34 0.00 0.00 1.13 2.10 -1.32 -0.37 116.57 118.45 1inz h LYS 107 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1inz h LYS 107 Cb 1.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.85 1inz h LYS 107 CO 0.17 0.00 -0.35 -0.25 -2.00 0.00 0.00 179.45 177.02 1inz n ASP 108 N -2.66 1.11 -4.55 7.07 8.00 -1.15 -4.93 116.55 119.45 1inz n ASP 108 Ca -0.02 -0.43 -0.34 0.00 0.71 0.00 0.00 54.79 54.71 1inz n ASP 108 Cb 0.29 1.03 -0.04 0.00 -0.02 0.00 0.00 41.12 42.39 1inz n ASP 108 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1inz s PHE 109 N -1.45 1.62 0.08 1.24 2.19 -0.15 -4.93 117.98 116.58 1inz s PHE 109 Ca 0.00 0.87 0.02 0.00 0.33 0.00 0.00 56.93 58.15 1inz s PHE 109 Cb 0.02 -4.00 -0.04 0.00 -1.31 0.00 0.00 43.02 37.69 1inz s PHE 109 CO 0.10 -2.17 -0.07 1.14 1.83 0.00 0.00 175.22 176.05 1inz s GLN 110 N 7.23 0.72 -0.30 10.12 -2.07 -1.26 -4.91 119.66 129.19 1inz s GLN 110 Ca 0.72 -1.12 -0.04 0.00 -1.82 0.00 0.00 55.36 53.09 1inz s GLN 110 Cb -0.12 -0.23 0.19 0.00 -1.09 0.00 0.00 33.01 31.76 1inz s GLN 110 CO 0.16 0.00 0.77 -0.47 -1.32 0.00 0.00 175.29 174.43 1inz s TYR 111 N -2.81 -1.24 -0.32 9.60 6.14 -1.26 -4.84 117.35 122.62 1inz s TYR 111 Ca 0.04 1.16 0.12 0.00 0.64 0.00 0.00 57.07 59.03 1inz s TYR 111 Cb -0.00 0.38 0.46 0.00 0.42 0.00 0.00 41.96 43.22 1inz s TYR 111 CO -0.03 -0.69 1.12 0.28 0.64 0.00 0.00 175.55 176.87 1inz n VAL 112 N 5.41 2.00 -1.76 3.14 0.31 -1.26 -4.28 118.33 121.90 1inz n VAL 112 Ca -0.01 -3.93 0.08 0.00 -0.01 0.00 0.00 64.34 60.48 1inz n VAL 112 Cb 0.53 -0.36 -0.02 0.00 -0.91 0.00 0.00 33.84 33.07 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 -0.55 -5.03 -0.22 4.52 9.92 -1.26 -2.54 116.55 121.40 1inz n ASP 113 Ca 0.30 0.66 0.03 0.00 -0.53 0.00 0.00 54.79 55.25 1inz n ASP 113 Cb 0.84 -1.98 0.14 0.00 -0.64 0.00 0.00 41.12 39.48 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 0.26 -1.59 -1.24 0.11 -2.06 -3.40 114.38 106.46 1inz h ARG 114 Ca 0.01 -0.02 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 1inz h ARG 114 Cb 0.56 -0.06 -0.26 0.00 1.11 0.00 0.00 29.97 31.32 1inz h ARG 114 CO 0.00 0.17 -0.39 0.34 0.10 0.00 0.00 179.97 180.19 1inz s ASP 115 N -5.28 -0.41 0.00 0.08 2.15 -1.23 -5.15 116.67 106.83 1inz s ASP 115 Ca -0.13 0.53 0.00 0.00 0.43 0.00 0.00 52.55 53.38 1inz s ASP 115 Cb 0.19 1.54 0.00 0.00 -0.30 0.00 0.00 42.92 44.35 1inz s ASP 115 CO 0.75 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 176.08 1inz n GLY 116 N 5.39 4.45 3.73 2.66 0.00 -1.05 -5.12 105.19 115.25 1inz n GLY 116 Ca -0.03 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 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 1.58 4.24 -0.16 1.61 2.20 -1.26 -5.02 119.74 122.93 1inz s LYS 117 Ca 0.00 0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 55.37 1inz s LYS 117 Cb 0.00 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 1inz s LYS 117 CO 0.00 0.25 2.01 0.16 -0.36 0.00 0.00 175.35 177.41 1inz s ASP 118 N 0.43 5.93 -0.25 1.43 -4.77 -1.26 -4.84 116.67 113.35 1inz s ASP 118 Ca 0.15 2.01 0.16 0.00 -3.30 0.00 0.00 52.55 51.57 1inz s ASP 118 Cb -0.13 -2.52 0.48 0.00 -1.09 0.00 0.00 42.92 39.66 1inz s ASP 118 CO 0.03 -1.56 1.15 0.00 0.70 0.00 0.00 175.17 175.49 1inz n GLN 119 N 8.20 2.36 0.00 2.11 10.64 -1.26 -4.73 117.38 134.70 1inz n GLN 119 Ca 0.24 -3.66 0.00 0.00 -1.83 0.00 0.00 57.00 51.76 1inz n GLN 119 Cb 0.44 -1.77 0.00 0.00 -0.86 0.00 0.00 30.24 28.05 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 -0.60 1.54 0.17 2.61 0.00 -1.26 -4.68 105.19 102.97 1inz n GLY 120 Ca 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 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 0.03 1.35 -0.21 1.61 3.04 -1.94 -2.37 116.25 117.76 1inz h VAL 121 Ca 0.00 -2.01 0.03 0.00 -1.01 0.00 0.00 66.70 63.72 1inz h VAL 121 Cb 0.35 2.32 -0.07 0.00 -2.01 0.00 0.00 31.29 31.88 1inz h VAL 121 CO 0.00 0.61 -0.53 0.78 -1.01 0.00 0.00 177.57 177.41 1inz h ASN 122 N 0.17 -1.72 0.82 3.17 2.35 -1.96 0.21 115.58 118.62 1inz h ASN 122 Ca -0.07 0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1inz h ASN 122 Cb 1.35 0.68 0.00 0.00 0.05 0.00 0.00 38.32 40.40 1inz h ASN 122 CO 0.14 -0.45 0.00 0.55 -1.65 0.00 0.00 177.43 176.02 1inz n VAL 123 N -5.33 0.76 0.01 2.81 3.14 -1.25 -2.75 118.33 115.72 1inz n VAL 123 Ca -0.05 0.13 -0.01 0.00 -2.96 0.00 0.00 64.34 61.45 1inz n VAL 123 Cb 0.36 -0.97 -0.00 0.00 -1.06 0.00 0.00 33.84 32.16 1inz n VAL 123 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1inz h ARG 124 N 0.00 -0.04 -0.58 1.45 2.43 -0.07 -2.94 114.38 114.64 1inz h ARG 124 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1inz h ARG 124 Cb 0.41 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1inz h ARG 124 CO 0.00 -0.02 0.38 0.93 -1.51 0.00 0.00 179.97 179.75 1inz h GLU 125 N -0.11 0.60 0.53 0.20 4.39 -1.38 -2.46 114.58 116.36 1inz h GLU 125 Ca -0.00 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1inz h GLU 125 Cb 0.03 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1inz h GLU 125 CO 0.01 0.40 -0.33 -0.22 -1.16 0.00 0.00 179.01 177.70 1inz h LYS 126 N 0.62 -0.79 -0.65 2.33 3.64 -1.64 -1.04 116.57 119.04 1inz h LYS 126 Ca 0.24 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.76 1inz h LYS 126 Cb 0.16 0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 1inz h LYS 126 CO -0.07 -0.53 0.29 0.00 -2.27 0.00 0.00 179.45 176.88 1inz h ALA 127 N -0.42 0.87 -0.65 5.00 0.00 -1.29 -0.09 119.26 122.68 1inz h ALA 127 Ca -0.06 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1inz h ALA 127 Cb 0.67 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1inz h ALA 127 CO 0.06 -0.11 0.43 0.87 0.00 0.00 0.00 179.25 180.49 1inz h LYS 128 N 0.51 0.59 -0.20 0.00 1.57 -1.07 -2.25 116.57 115.71 1inz h LYS 128 Ca 0.32 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1inz h LYS 128 Cb 0.36 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1inz h LYS 128 CO -0.28 0.39 0.11 0.37 -0.57 0.00 0.00 179.45 179.47 1inz h GLN 129 N 0.61 0.22 -0.11 3.15 4.15 0.33 -0.32 115.11 123.14 1inz h GLN 129 Ca 0.29 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.73 1inz h GLN 129 Cb 0.34 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 1inz h GLN 129 CO -0.09 0.15 -0.13 1.25 -1.93 0.00 0.00 178.83 178.07 1inz h LEU 130 N 0.23 -0.42 -1.88 -2.39 6.46 -1.29 -0.69 115.31 115.34 1inz h LEU 130 Ca 0.08 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.89 1inz h LEU 130 Cb 0.00 0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1inz h LEU 130 CO -0.04 -0.18 -0.13 0.58 -0.62 0.00 0.00 178.44 178.05 1inz h VAL 131 N -0.17 0.78 -0.21 1.05 2.07 -1.40 -2.78 116.25 115.60 1inz h VAL 131 Ca 0.09 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1inz h VAL 131 Cb 0.29 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1inz h VAL 131 CO -0.22 0.13 0.04 0.00 0.02 0.00 0.00 177.57 177.54 1inz h ALA 132 N 1.87 0.27 -0.20 1.67 0.00 0.48 -1.69 119.26 121.66 1inz h ALA 132 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1inz h ALA 132 Cb 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1inz h ALA 132 CO 0.02 -0.06 0.05 -0.07 0.00 0.00 0.00 179.25 179.19 1inz h LEU 133 N 0.14 0.04 -1.04 0.00 3.38 -1.15 -0.73 115.31 115.96 1inz h LEU 133 Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1inz h LEU 133 Cb 0.30 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1inz h LEU 133 CO 0.00 0.05 0.00 -0.07 0.09 0.00 0.00 178.44 178.51 1inz h LEU 134 N 0.14 0.00 -4.92 1.67 4.07 -1.49 -3.08 115.31 111.69 1inz h LEU 134 Ca 0.09 0.00 -0.68 0.00 0.08 0.00 0.00 57.88 57.37 1inz h LEU 134 Cb 0.07 0.00 -0.35 0.00 1.08 0.00 0.00 40.66 41.46 1inz h LEU 134 CO -0.11 0.00 0.12 -1.14 -1.08 0.00 0.00 178.44 176.23 1inz n ARG 135 N -2.39 3.32 0.17 1.13 0.63 -0.29 -4.69 116.66 114.54 1inz n ARG 135 Ca 0.01 -4.18 0.00 0.00 -0.92 0.00 0.00 57.85 52.76 1inz n ARG 135 Cb 0.20 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 30.83 1inz n ARG 135 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1inz n ASP 136 N -0.45 -2.26 -1.10 6.15 9.92 -1.16 -4.91 116.55 122.74 1inz n ASP 136 Ca 0.45 0.63 0.00 0.00 -0.53 0.00 0.00 54.79 55.34 1inz n ASP 136 Cb 0.44 2.23 0.00 0.00 -0.64 0.00 0.00 41.12 43.14 1inz n ASP 136 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1inz n GLU 137 N -3.31 -2.97 -3.76 -1.24 0.00 -1.25 -5.08 120.64 103.03 1inz n GLU 137 Ca 0.00 2.27 -0.06 0.00 0.00 0.00 0.00 57.16 59.37 1inz n GLU 137 Cb 0.00 -2.76 -0.02 0.00 0.00 0.00 0.00 31.44 28.67 1inz n GLU 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1inz s ASP 138 N -4.17 -0.26 0.61 4.31 -1.08 -1.26 -5.14 116.67 109.67 1inz s ASP 138 Ca 0.00 -0.44 -0.19 0.00 -0.52 0.00 0.00 52.55 51.39 1inz s ASP 138 Cb 0.00 0.60 -0.03 0.00 -1.46 0.00 0.00 42.92 42.04 1inz s ASP 138 CO 0.00 -1.10 1.30 -2.11 0.52 0.00 0.00 175.17 173.78 1inz n ARG 139 N -0.45 1.31 -3.29 4.34 1.85 -1.26 -4.92 116.66 114.24 1inz n ARG 139 Ca -0.06 0.50 -0.45 0.00 -1.00 0.00 0.00 57.85 56.84 1inz n ARG 139 Cb 0.60 -2.53 -0.00 0.00 -1.05 0.00 0.00 32.46 29.48 1inz n ARG 139 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1inz s LEU 140 N -3.89 6.24 -0.99 2.89 1.98 -1.26 -4.90 118.68 118.75 1inz s LEU 140 Ca 0.78 -3.38 -0.01 0.00 -2.89 0.00 0.00 54.13 48.64 1inz s LEU 140 Cb -0.40 -2.23 0.32 0.00 0.66 0.00 0.00 46.19 44.54 1inz s LEU 140 CO 0.44 -0.39 1.73 -1.14 -1.89 0.00 0.00 176.35 175.09 1inz n ARG 141 N 3.26 5.19 -3.55 1.98 0.63 -1.26 -4.95 116.66 117.97 1inz n ARG 141 Ca 0.24 -4.68 -0.16 0.00 -0.92 0.00 0.00 57.85 52.33 1inz n ARG 141 Cb 0.41 -2.45 -0.06 0.00 0.45 0.00 0.00 32.46 30.81 1inz n ARG 141 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1inz s GLU 142 N -4.17 1.03 0.03 -0.14 2.02 -1.26 -5.10 118.70 111.11 1inz s GLU 142 Ca 0.39 0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.42 1inz s GLU 142 Cb 0.19 0.48 0.00 0.00 0.10 0.00 0.00 34.13 34.90 1inz s GLU 142 CO -0.12 -0.35 0.00 0.39 0.02 0.00 0.00 175.26 175.21 1inz n GLU 143 N 0.71 0.00 0.00 1.61 1.02 -1.26 -5.29 120.64 117.44 1inz n GLU 143 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 1inz n GLU 143 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.00 1inz n GLU 143 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18