#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 -5.67 -4.37 1.61 3.41 -1.26 -4.90 113.62 102.43 1inz n SER -2 Ca 0.00 0.03 -0.44 0.00 -0.26 0.00 0.00 58.87 58.20 1inz n SER -2 Cb 0.00 -4.72 0.00 0.00 -0.26 0.00 0.00 64.21 59.23 1inz n SER -2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1inz n SER -1 N -1.75 5.41 -4.56 4.04 2.88 -1.26 -4.97 113.62 113.41 1inz n SER -1 Ca -0.23 -3.02 -0.31 0.00 -1.33 0.00 0.00 58.87 53.97 1inz n SER -1 Cb 0.68 -1.47 -0.04 0.00 -0.75 0.00 0.00 64.21 62.63 1inz n SER -1 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1inz s ARG 0 N -0.01 2.69 0.04 -1.46 3.52 -1.26 -4.95 118.95 117.52 1inz s ARG 0 Ca 0.37 -0.16 -0.23 0.00 -0.13 0.00 0.00 55.73 55.57 1inz s ARG 0 Cb -0.06 -4.91 -0.06 0.00 -1.56 0.00 0.00 34.95 28.36 1inz s ARG 0 CO -0.04 -3.09 0.70 1.41 -0.81 0.00 0.00 175.30 173.48 1inz s MET 1 N 6.79 4.43 0.05 5.12 1.75 -1.26 -5.06 119.30 131.12 1inz s MET 1 Ca 0.66 0.96 -0.01 0.00 -1.25 0.00 0.00 55.69 56.05 1inz s MET 1 Cb -0.07 -3.34 -0.04 0.00 2.84 0.00 0.00 34.83 34.22 1inz s MET 1 CO 0.04 0.35 -0.03 0.45 -0.65 0.00 0.00 175.02 175.18 1inz s SER 2 N -0.25 0.53 -0.97 1.11 0.15 -1.26 -5.08 113.70 107.93 1inz s SER 2 Ca 0.35 -0.96 -0.01 0.00 0.70 0.00 0.00 55.95 56.04 1inz s SER 2 Cb -0.20 0.18 0.30 0.00 -1.71 0.00 0.00 66.02 64.59 1inz s SER 2 CO 0.21 -0.56 1.35 0.35 1.20 0.00 0.00 173.24 175.79 1inz n THR 3 N 0.23 4.74 -1.64 6.45 -2.24 -1.26 -4.48 114.28 116.09 1inz n THR 3 Ca -0.15 -5.79 -0.02 0.00 -2.27 0.00 0.00 64.05 55.82 1inz n THR 3 Cb 0.60 -2.00 -0.02 0.00 -2.10 0.00 0.00 70.33 66.81 1inz n THR 3 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1inz n SER 4 N 1.02 -0.28 -4.21 3.42 2.88 -1.26 -5.15 113.62 110.04 1inz n SER 4 Ca 0.29 -0.57 -0.36 0.00 -1.33 0.00 0.00 58.87 56.90 1inz n SER 4 Cb 0.34 0.08 0.06 0.00 -0.75 0.00 0.00 64.21 63.94 1inz n SER 4 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1inz n SER 5 N 0.00 -3.98 -2.09 -3.46 7.64 -1.26 -4.47 113.62 106.00 1inz n SER 5 Ca -0.08 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1inz n SER 5 Cb 0.37 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 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 1.66 -5.93 0.00 -3.43 7.94 -1.26 -5.07 117.00 110.91 1inz n LEU 6 Ca 0.04 2.61 0.00 0.00 -1.11 0.00 0.00 56.01 57.55 1inz n LEU 6 Cb 0.53 -2.95 0.00 0.00 0.53 0.00 0.00 43.42 41.53 1inz n LEU 6 CO 0.52 -2.26 0.00 -1.14 -1.11 0.00 0.00 177.39 173.40 1inz n ARG 7 N 1.62 3.88 -0.28 1.96 0.63 -1.26 -5.15 116.66 118.07 1inz n ARG 7 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1inz n ARG 7 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1inz n ARG 7 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1inz n ARG 8 N 0.00 0.80 -2.17 -0.14 1.85 -1.26 -5.00 116.66 110.73 1inz n ARG 8 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 1inz n ARG 8 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 1inz n ARG 8 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 1inz s GLN 9 N -1.51 4.36 0.57 2.89 1.03 -1.26 -5.02 119.66 120.72 1inz s GLN 9 Ca 0.00 2.11 0.07 0.00 0.04 0.00 0.00 55.36 57.58 1inz s GLN 9 Cb 0.00 -3.17 0.07 0.00 0.03 0.00 0.00 33.01 29.93 1inz s GLN 9 CO 0.00 -0.29 0.57 -1.33 -2.54 0.00 0.00 175.29 171.70 1inz n MET 10 N 2.54 0.64 0.15 9.60 2.81 -1.26 -4.97 117.12 126.64 1inz n MET 10 Ca 0.06 -3.33 0.11 0.00 -1.81 0.00 0.00 57.70 52.73 1inz n MET 10 Cb 0.42 0.12 0.56 0.00 -0.71 0.00 0.00 33.22 33.62 1inz n MET 10 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1inz n LYS 11 N -1.99 0.16 -4.14 0.03 4.76 -1.26 -4.51 118.16 111.21 1inz n LYS 11 Ca 0.05 0.58 -0.34 0.00 -2.87 0.00 0.00 58.31 55.73 1inz n LYS 11 Cb 0.62 -1.94 -0.10 0.00 -1.84 0.00 0.00 35.03 31.77 1inz n LYS 11 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1inz s ASN 12 N -4.09 5.44 0.09 4.39 3.84 -1.26 -5.07 114.94 118.28 1inz s ASN 12 Ca -0.01 0.07 -0.31 0.00 0.21 0.00 0.00 52.86 52.83 1inz s ASN 12 Cb 0.07 -1.85 -0.07 0.00 -0.55 0.00 0.00 41.25 38.85 1inz s ASN 12 CO 0.25 0.22 1.30 -0.63 -2.79 0.00 0.00 177.10 175.45 1inz s ILE 13 N 0.07 3.63 0.57 -5.21 1.01 -1.26 -5.02 121.20 114.99 1inz s ILE 13 Ca 0.04 1.17 0.04 0.00 0.00 0.00 0.00 60.65 61.90 1inz s ILE 13 Cb -0.13 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.66 1inz s ILE 13 CO 0.01 0.09 0.79 -0.69 0.00 0.00 0.00 174.94 175.15 1inz s VAL 14 N 1.05 2.50 -0.35 2.92 1.01 -1.26 -5.00 120.40 121.27 1inz s VAL 14 Ca 0.62 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 61.53 1inz s VAL 14 Cb -0.34 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1inz s VAL 14 CO 0.30 0.00 1.77 -1.00 0.00 0.00 0.00 175.10 176.17 1inz s HIS 15 N -2.75 1.85 -0.29 5.22 3.76 -1.26 -4.96 115.29 116.86 1inz s HIS 15 Ca 0.60 0.64 -0.07 0.00 -0.15 0.00 0.00 55.06 56.08 1inz s HIS 15 Cb -0.08 -4.14 0.00 0.00 1.11 0.00 0.00 32.58 29.47 1inz s HIS 15 CO 0.39 -2.83 0.08 1.21 -0.85 0.00 0.00 174.74 172.74 1inz s ASN 16 N 6.01 5.13 0.51 1.40 3.84 -1.26 -5.08 114.94 125.49 1inz s ASN 16 Ca 0.77 -0.64 -0.21 0.00 0.21 0.00 0.00 52.86 53.00 1inz s ASN 16 Cb -0.21 -1.89 -0.07 0.00 -0.55 0.00 0.00 41.25 38.53 1inz s ASN 16 CO 0.33 -0.17 1.12 -0.31 -2.79 0.00 0.00 177.10 175.28 1inz s TYR 17 N 1.52 2.78 -0.67 0.43 2.02 -1.26 -4.93 117.35 117.23 1inz s TYR 17 Ca 0.03 1.55 0.25 0.00 -0.37 0.00 0.00 57.07 58.53 1inz s TYR 17 Cb -0.17 -3.28 0.49 0.00 -0.40 0.00 0.00 41.96 38.60 1inz s TYR 17 CO 0.03 -1.44 1.46 -1.13 -1.57 0.00 0.00 175.55 172.90 1inz n SER 18 N -1.03 0.73 -1.64 2.29 3.41 -1.26 -4.91 113.62 111.22 1inz n SER 18 Ca 0.10 0.26 -0.12 0.00 -0.26 0.00 0.00 58.87 58.85 1inz n SER 18 Cb 0.50 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.28 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 -2.15 -1.52 -0.08 4.33 1.02 -1.26 -4.80 120.64 116.17 1inz n GLU 19 Ca 0.04 0.68 -0.11 0.00 -0.02 0.00 0.00 57.16 57.75 1inz n GLU 19 Cb 0.44 -5.00 -0.04 0.00 -0.02 0.00 0.00 31.44 26.81 1inz n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1inz h ALA 20 N 0.89 0.33 -0.71 0.62 0.00 -1.90 -2.38 119.26 116.11 1inz h ALA 20 Ca -0.26 -0.21 0.21 0.00 0.00 0.00 0.00 54.91 54.65 1inz h ALA 20 Cb 0.90 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1inz h ALA 20 CO 0.36 0.05 0.56 1.05 0.00 0.00 0.00 179.25 181.26 1inz h GLU 21 N 0.21 0.00 0.06 0.00 4.11 -1.86 -0.79 114.58 116.30 1inz h GLU 21 Ca 0.07 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.41 1inz h GLU 21 Cb 0.39 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.65 1inz h GLU 21 CO 0.01 0.00 -0.38 0.82 0.07 0.00 0.00 179.01 179.53 1inz h ILE 22 N 0.00 1.64 -0.22 -1.06 2.04 -1.80 -2.60 117.51 115.52 1inz h ILE 22 Ca 0.34 -2.37 0.06 0.00 1.00 0.00 0.00 64.86 63.89 1inz h ILE 22 Cb 1.45 3.22 -0.01 0.00 -0.74 0.00 0.00 36.82 40.74 1inz h ILE 22 CO -0.00 0.64 0.16 0.50 0.00 0.00 0.00 178.15 179.45 1inz h LYS 23 N -0.66 0.02 0.16 2.37 3.64 -0.71 -1.92 116.57 119.47 1inz h LYS 23 Ca -0.06 -0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.05 1inz h LYS 23 Cb 1.27 -0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.12 1inz h LYS 23 CO 0.07 0.01 -1.14 0.28 -2.27 0.00 0.00 179.45 176.40 1inz h VAL 24 N 0.02 1.36 -0.79 2.00 2.07 -1.32 -2.27 116.25 117.32 1inz h VAL 24 Ca 0.10 -2.52 0.08 0.00 0.82 0.00 0.00 66.70 65.18 1inz h VAL 24 Cb 0.39 2.95 -0.07 0.00 -1.52 0.00 0.00 31.29 33.04 1inz h VAL 24 CO -0.00 0.75 0.45 -0.09 0.02 0.00 0.00 177.57 178.69 1inz h ARG 25 N 0.02 0.75 0.00 1.57 1.12 -0.95 -1.03 114.38 115.86 1inz h ARG 25 Ca -0.19 -0.05 -0.18 0.00 -1.11 0.00 0.00 59.98 58.46 1inz h ARG 25 Cb 1.87 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 31.64 1inz h ARG 25 CO 0.22 0.50 -0.82 0.93 -3.11 0.00 0.00 179.97 177.68 1inz h GLU 26 N 0.77 0.03 0.00 0.20 5.08 -1.52 -2.97 114.58 116.18 1inz h GLU 26 Ca 0.37 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1inz h GLU 26 Cb 0.31 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1inz h GLU 26 CO -0.23 0.84 0.00 0.00 -1.00 0.00 0.00 179.01 178.62 1inz h ALA 27 N 1.15 1.00 -0.08 3.43 0.00 -0.58 -1.60 119.26 122.57 1inz h ALA 27 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1inz h ALA 27 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1inz h ALA 27 CO 0.11 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.61 1inz n THR 28 N -2.46 0.15 -2.89 0.00 -2.24 -0.84 -4.68 114.28 101.32 1inz n THR 28 Ca 0.00 -0.57 -0.12 0.00 -2.27 0.00 0.00 64.05 61.09 1inz n THR 28 Cb 0.17 1.18 0.05 0.00 -2.10 0.00 0.00 70.33 69.63 1inz n THR 28 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1inz n SER 29 N 0.82 -1.23 -4.89 3.42 3.41 -0.63 -4.56 113.62 109.96 1inz n SER 29 Ca 0.09 -3.46 -0.25 0.00 -0.26 0.00 0.00 58.87 55.00 1inz n SER 29 Cb 0.38 1.03 0.07 0.00 -0.26 0.00 0.00 64.21 65.43 1inz n SER 29 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1inz s ASN 30 N -1.68 4.79 0.58 4.04 0.02 -1.01 -4.82 114.94 116.86 1inz s ASN 30 Ca 0.28 0.30 -0.14 0.00 -1.02 0.00 0.00 52.86 52.28 1inz s ASN 30 Cb 0.31 -0.95 -0.05 0.00 0.02 0.00 0.00 41.25 40.58 1inz s ASN 30 CO -0.06 -1.58 1.02 -1.81 0.02 0.00 0.00 177.10 174.69 1inz s ASP 31 N -4.53 6.17 0.09 -1.22 1.01 -1.26 -4.98 116.67 111.95 1inz s ASP 31 Ca 0.61 1.60 0.00 0.00 0.71 0.00 0.00 52.55 55.47 1inz s ASP 31 Cb -0.10 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1inz s ASP 31 CO 0.44 -0.90 0.00 -0.81 0.21 0.00 0.00 175.17 174.11 1inz n PRO 32 N -2.16 0.76 0.00 8.23 -0.04 -1.26 -3.50 135.00 137.03 1inz n PRO 32 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1inz n PRO 32 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 0.00 -3.58 0.54 7.02 -1.26 -4.02 117.44 115.06 1inz n TRP 33 Ca 0.00 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.19 1inz n TRP 33 Cb 0.00 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 28.74 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 0.60 0.00 6.99 0.00 -1.26 -5.13 107.32 108.51 1inz s GLY 34 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1inz s GLY 34 CO 0.00 1.98 0.00 -1.05 0.00 0.00 0.00 173.10 174.03 1inz n PRO 35 N 5.18 0.14 -3.05 2.90 -0.02 -1.23 -4.83 135.00 134.09 1inz n PRO 35 Ca -0.05 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 60.98 1inz n PRO 35 Cb 0.42 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.87 1inz n PRO 35 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1inz s SER 36 N -1.99 6.50 0.52 2.55 0.15 -1.26 -4.86 113.70 115.31 1inz s SER 36 Ca 0.00 -1.91 0.28 0.00 0.70 0.00 0.00 55.95 55.01 1inz s SER 36 Cb 0.00 -2.34 1.39 0.00 -1.71 0.00 0.00 66.02 63.36 1inz s SER 36 CO 0.00 -1.02 2.04 -1.28 1.20 0.00 0.00 173.24 174.18 1inz h SER 37 N 8.79 0.00 -1.16 5.45 0.87 -2.03 -2.78 113.55 122.69 1inz h SER 37 Ca -0.01 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.90 1inz h SER 37 Cb 1.05 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.74 1inz h SER 37 CO 1.04 0.13 0.85 -0.24 -0.53 0.00 0.00 176.83 178.08 1inz n SER 38 N -3.56 7.49 0.00 6.23 2.88 -1.26 -4.24 113.62 121.16 1inz n SER 38 Ca -0.01 -3.69 0.00 0.00 -1.33 0.00 0.00 58.87 53.83 1inz n SER 38 Cb 0.27 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1inz n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1inz n LEU 39 N -0.62 0.23 0.17 2.46 7.94 -1.05 -4.74 117.00 121.39 1inz n LEU 39 Ca 0.57 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 55.37 1inz n LEU 39 Cb 0.55 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.45 1inz n LEU 39 CO 0.67 0.04 0.32 0.24 -1.11 0.00 0.00 177.39 177.55 1inz h MET 40 N 0.00 -0.48 -1.26 1.96 2.86 -1.74 -2.81 114.93 113.46 1inz h MET 40 Ca 0.00 0.03 0.38 0.00 -2.06 0.00 0.00 59.70 58.06 1inz h MET 40 Cb 0.65 0.11 -0.11 0.00 0.06 0.00 0.00 31.60 32.31 1inz h MET 40 CO 0.00 -0.21 0.83 1.03 1.06 0.00 0.00 176.91 179.62 1inz h SER 41 N -1.04 0.27 0.40 1.22 0.87 -1.89 0.04 113.55 113.42 1inz h SER 41 Ca -0.05 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1inz h SER 41 Cb 0.49 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1inz h SER 41 CO 0.08 -0.07 -0.19 -0.33 -0.53 0.00 0.00 176.83 175.79 1inz h GLU 42 N 0.16 -0.52 -1.07 2.24 5.08 -1.84 -2.08 114.58 116.57 1inz h GLU 42 Ca 0.73 0.04 0.29 0.00 -1.00 0.00 0.00 59.36 59.42 1inz h GLU 42 Cb 2.29 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 31.57 1inz h GLU 42 CO -0.32 -0.21 0.71 0.82 -1.00 0.00 0.00 179.01 179.01 1inz h ILE 43 N -0.96 0.49 0.09 3.13 2.04 -0.75 -0.20 117.51 121.35 1inz h ILE 43 Ca -0.05 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1inz h ILE 43 Cb 0.55 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1inz h ILE 43 CO 0.09 0.05 -0.04 0.00 0.00 0.00 0.00 178.15 178.25 1inz h ALA 44 N 1.58 -0.12 -0.15 1.87 0.00 -1.24 -2.50 119.26 118.70 1inz h ALA 44 Ca 0.59 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.32 1inz h ALA 44 Cb 1.69 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1inz h ALA 44 CO -0.24 -0.32 0.45 -0.44 0.00 0.00 0.00 179.25 178.70 1inz h ASP 45 N -0.61 0.00 0.35 0.00 5.19 -0.33 0.32 116.42 121.34 1inz h ASP 45 Ca -0.01 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.07 1inz h ASP 45 Cb 0.50 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.03 1inz h ASP 45 CO 0.02 0.00 -1.49 -0.07 -3.12 0.00 0.00 179.24 174.58 1inz h LEU 46 N 0.00 0.68 -0.87 1.55 3.38 -0.97 -3.30 115.31 115.77 1inz h LEU 46 Ca 0.07 -0.78 0.17 0.00 0.09 0.00 0.00 57.88 57.42 1inz h LEU 46 Cb 0.97 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 1inz h LEU 46 CO -0.00 1.63 0.44 0.71 0.09 0.00 0.00 178.44 181.31 1inz h THR 47 N 0.12 0.66 -0.89 0.22 1.35 0.06 0.12 112.91 114.55 1inz h THR 47 Ca -0.25 -0.20 0.24 0.00 -0.55 0.00 0.00 66.41 65.65 1inz h THR 47 Cb 2.11 0.04 -0.15 0.00 -1.73 0.00 0.00 68.15 68.41 1inz h THR 47 CO 0.23 0.11 0.12 1.88 -0.25 0.00 0.00 175.52 177.61 1inz h TYR 48 N 0.58 0.14 0.00 4.73 0.05 -1.62 -3.40 116.97 117.46 1inz h TYR 48 Ca 0.50 0.06 0.00 0.00 0.05 0.00 0.00 58.73 59.33 1inz h TYR 48 Cb 0.78 0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.60 1inz h TYR 48 CO -0.10 -0.30 0.00 -1.71 -1.05 0.00 0.00 178.16 175.00 1inz n ASN 49 N -5.34 0.00 0.00 3.88 2.85 0.42 -4.99 115.26 112.08 1inz n ASN 49 Ca 0.21 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.68 1inz n ASN 49 Cb 0.68 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.70 1inz n ASN 49 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1inz n VAL 50 N -0.76 0.00 0.00 3.44 0.31 -1.26 -4.68 118.33 115.37 1inz n VAL 50 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1inz n VAL 50 Cb 0.00 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 1inz n VAL 50 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1inz n VAL 51 N -1.82 0.00 -0.31 2.52 0.31 -1.26 -3.75 118.33 114.02 1inz n VAL 51 Ca 0.00 0.36 0.28 0.00 -0.01 0.00 0.00 64.34 64.97 1inz n VAL 51 Cb 0.38 -1.15 0.52 0.00 -0.91 0.00 0.00 33.84 32.68 1inz n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1inz n ALA 52 N -1.74 0.91 0.09 3.52 0.00 -1.26 0.41 120.51 122.45 1inz n ALA 52 Ca 0.00 0.98 -0.12 0.00 0.00 0.00 0.00 53.44 54.30 1inz n ALA 52 Cb 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.61 0.00 0.00 3.57 -1.73 0.29 116.94 118.46 1inz h PHE 53 Ca 0.78 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.29 1inz h PHE 53 Cb 2.00 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 41.00 1inz h PHE 53 CO -0.08 -0.32 -0.03 1.03 -2.23 0.00 0.00 178.31 176.68 1inz h SER 54 N -0.40 0.00 1.65 0.41 0.87 -0.13 -0.22 113.55 115.73 1inz h SER 54 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1inz h SER 54 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1inz h SER 54 CO -0.15 0.03 -0.29 -0.33 -0.53 0.00 0.00 176.83 175.55 1inz h GLU 55 N 0.00 0.00 0.00 2.24 4.39 -0.37 -3.11 114.58 117.73 1inz h GLU 55 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1inz h GLU 55 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1inz h GLU 55 CO 0.00 0.00 -0.01 0.82 -1.16 0.00 0.00 179.01 178.66 1inz h ILE 56 N 0.00 0.00 -1.14 3.13 2.04 0.13 -3.13 117.51 118.54 1inz h ILE 56 Ca 0.00 -0.12 0.32 0.00 1.00 0.00 0.00 64.86 66.06 1inz h ILE 56 Cb 0.97 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.96 1inz h ILE 56 CO 0.00 0.00 0.76 0.24 0.00 0.00 0.00 178.15 179.15 1inz h MET 57 N -0.12 0.23 0.62 2.37 2.86 -1.63 -0.84 114.93 118.42 1inz h MET 57 Ca 0.00 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1inz h MET 57 Cb 0.01 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1inz h MET 57 CO 0.00 0.15 -0.37 0.77 1.06 0.00 0.00 176.91 178.52 1inz h SER 58 N 0.24 -0.94 -0.00 1.22 0.02 -1.67 0.21 113.55 112.64 1inz h SER 58 Ca 0.64 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.64 1inz h SER 58 Cb 1.92 0.27 -0.00 0.00 0.14 0.00 0.00 62.40 64.73 1inz h SER 58 CO -0.25 -0.58 0.13 0.24 -1.14 0.00 0.00 176.83 175.23 1inz h MET 59 N -0.93 0.00 0.04 3.45 2.86 -1.14 0.43 114.93 119.64 1inz h MET 59 Ca -0.08 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.33 1inz h MET 59 Cb 0.74 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1inz h MET 59 CO 0.09 0.00 -1.01 0.82 1.06 0.00 0.00 176.91 177.87 1inz h ILE 60 N 0.00 1.54 0.02 -1.22 2.04 -0.09 -3.06 117.51 116.74 1inz h ILE 60 Ca 0.00 -2.90 -0.18 0.00 1.00 0.00 0.00 64.86 62.78 1inz h ILE 60 Cb 0.26 2.68 0.02 0.00 -0.74 0.00 0.00 36.82 39.04 1inz h ILE 60 CO -0.00 0.84 -0.70 -0.50 0.00 0.00 0.00 178.15 177.79 1inz h TRP 61 N 0.08 0.66 0.35 1.37 -0.00 0.11 -2.33 115.95 116.19 1inz h TRP 61 Ca -0.07 -0.38 -0.01 0.00 -0.00 0.00 0.00 58.89 58.44 1inz h TRP 61 Cb 1.70 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 30.78 1inz h TRP 61 CO 0.03 1.21 -0.23 0.87 -0.00 0.00 0.00 178.44 180.32 1inz h LYS 62 N -0.07 -0.55 0.00 0.49 6.56 -1.55 -1.40 116.57 120.05 1inz h LYS 62 Ca -0.09 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1inz h LYS 62 Cb 1.42 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 33.20 1inz h LYS 62 CO 0.14 -0.37 0.00 0.54 -2.06 0.00 0.00 179.45 177.70 1inz n ARG 63 N -5.36 0.17 0.16 3.15 1.74 -1.15 -2.16 116.66 113.20 1inz n ARG 63 Ca -0.10 0.42 0.04 0.00 -0.77 0.00 0.00 57.85 57.45 1inz n ARG 63 Cb 0.27 -1.84 0.13 0.00 -1.02 0.00 0.00 32.46 30.00 1inz n ARG 63 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1inz h LEU 64 N 0.00 0.00 -4.24 0.55 3.38 -0.68 -2.80 115.31 111.52 1inz h LEU 64 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1inz h LEU 64 Cb 0.32 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.68 1inz h LEU 64 CO 0.00 0.43 -0.30 0.59 0.09 0.00 0.00 178.44 179.25 1inz n ASN 65 N -3.28 5.57 -3.24 -0.43 4.13 -0.92 -4.68 115.26 112.41 1inz n ASN 65 Ca 0.02 -3.76 0.00 0.00 1.68 0.00 0.00 54.58 52.52 1inz n ASN 65 Cb 0.66 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 1inz n ASN 65 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1inz n ASP 66 N -0.63 0.00 -4.51 6.41 5.75 -1.24 -5.04 116.55 117.30 1inz n ASP 66 Ca 0.46 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.93 1inz n ASP 66 Cb 0.71 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.73 1inz n ASP 66 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1inz s HIS 67 N 0.00 1.76 0.40 2.11 3.76 -1.26 -5.00 115.29 117.06 1inz s HIS 67 Ca 0.00 -1.14 0.19 0.00 -0.15 0.00 0.00 55.06 53.96 1inz s HIS 67 Cb 0.00 -1.42 1.11 0.00 1.11 0.00 0.00 32.58 33.38 1inz s HIS 67 CO 0.00 -0.01 1.78 0.78 -0.85 0.00 0.00 174.74 176.44 1inz h GLY 68 N 1.43 1.13 0.00 -2.22 0.00 -1.96 -3.06 103.07 98.39 1inz h GLY 68 Ca -0.40 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1inz h GLY 68 CO 0.66 -0.11 0.00 1.17 0.00 0.00 0.00 176.54 178.26 1inz n LYS 69 N -4.60 0.00 -3.30 4.80 3.00 -1.26 -4.33 118.16 112.47 1inz n LYS 69 Ca 0.24 0.42 -0.07 0.00 -0.00 0.00 0.00 58.31 58.91 1inz n LYS 69 Cb 0.86 -0.64 -0.06 0.00 0.00 0.00 0.00 35.03 35.18 1inz n LYS 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1inz s ASN 70 N -2.87 -0.05 0.00 3.14 0.01 -1.16 -4.99 114.94 109.03 1inz s ASN 70 Ca 0.00 0.23 0.10 0.00 -0.71 0.00 0.00 52.86 52.48 1inz s ASN 70 Cb 0.00 1.31 0.47 0.00 0.41 0.00 0.00 41.25 43.45 1inz s ASN 70 CO 0.00 -0.30 1.24 -2.67 -1.51 0.00 0.00 177.10 173.85 1inz n TRP 71 N 5.37 0.00 -0.23 2.20 4.27 -1.26 -3.24 117.44 124.55 1inz n TRP 71 Ca -0.02 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.62 1inz n TRP 71 Cb 0.50 -0.35 0.14 0.00 -1.36 0.00 0.00 31.31 30.24 1inz n TRP 71 CO 0.00 0.00 0.00 -0.09 -2.29 0.00 0.00 177.69 175.31 1inz h ARG 72 N 0.00 0.14 -1.00 -2.67 9.65 -1.94 0.28 114.38 118.85 1inz h ARG 72 Ca 0.00 -0.01 0.17 0.00 -1.10 0.00 0.00 59.98 59.04 1inz h ARG 72 Cb 0.12 -0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 28.56 1inz h ARG 72 CO 0.00 0.09 0.61 0.45 2.80 0.00 0.00 179.97 183.92 1inz h HIS 73 N 0.14 1.08 0.66 2.20 3.86 -1.79 -2.21 115.15 119.09 1inz h HIS 73 Ca 0.37 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.59 1inz h HIS 73 Cb 0.63 -0.33 0.01 0.00 1.06 0.00 0.00 27.41 28.78 1inz h HIS 73 CO -0.36 0.30 -0.31 0.28 0.86 0.00 0.00 177.93 178.69 1inz h VAL 74 N 0.83 0.27 -0.62 2.45 2.07 -0.17 -0.45 116.25 120.63 1inz h VAL 74 Ca 0.55 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.96 1inz h VAL 74 Cb 0.76 0.33 -0.11 0.00 -1.52 0.00 0.00 31.29 30.75 1inz h VAL 74 CO -0.35 0.02 -0.40 0.22 0.02 0.00 0.00 177.57 177.08 1inz h TYR 75 N -1.03 -1.17 -0.13 1.57 3.20 -0.91 0.60 116.97 119.10 1inz h TYR 75 Ca -0.09 0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1inz h TYR 75 Cb 0.71 0.60 -0.01 0.00 1.54 0.00 0.00 36.73 39.57 1inz h TYR 75 CO -0.01 -0.41 -0.00 0.87 -1.64 0.00 0.00 178.16 176.97 1inz h LYS 76 N -0.19 0.18 0.00 1.82 1.79 -1.40 -0.78 116.57 117.99 1inz h LYS 76 Ca 0.21 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.62 1inz h LYS 76 Cb 0.56 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1inz h LYS 76 CO -0.71 0.21 -0.15 0.00 -1.08 0.00 0.00 179.45 177.71 1inz h ALA 77 N 1.82 1.19 0.03 3.86 0.00 0.19 -2.51 119.26 123.84 1inz h ALA 77 Ca 0.04 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 1inz h ALA 77 Cb 0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1inz h ALA 77 CO 0.00 0.19 -1.04 0.52 0.00 0.00 0.00 179.25 178.93 1inz h MET 78 N 0.00 0.08 -0.25 0.00 2.86 0.37 -3.03 114.93 114.97 1inz h MET 78 Ca -0.00 -0.13 -0.12 0.00 -2.06 0.00 0.00 59.70 57.39 1inz h MET 78 Cb 0.47 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1inz h MET 78 CO 0.02 1.04 -0.34 1.15 1.06 0.00 0.00 176.91 179.84 1inz h THR 79 N 0.03 1.29 -0.11 2.22 2.02 -1.28 -1.27 112.91 115.81 1inz h THR 79 Ca -0.04 -1.45 -0.19 0.00 0.77 0.00 0.00 66.41 65.50 1inz h THR 79 Cb 1.78 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 69.65 1inz h THR 79 CO 0.15 0.46 -0.73 0.25 0.37 0.00 0.00 175.52 176.02 1inz h LEU 80 N 0.45 0.64 -0.62 2.58 5.85 -1.58 -1.45 115.31 121.18 1inz h LEU 80 Ca 0.05 -0.41 -0.15 0.00 0.84 0.00 0.00 57.88 58.21 1inz h LEU 80 Cb 0.80 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1inz h LEU 80 CO 0.07 1.17 -0.53 -0.03 -0.34 0.00 0.00 178.44 178.77 1inz h MET 81 N 0.37 0.43 -0.01 1.25 4.05 -1.39 -2.01 114.93 117.62 1inz h MET 81 Ca -0.03 -0.26 -0.23 0.00 -0.28 0.00 0.00 59.70 58.90 1inz h MET 81 Cb 1.32 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.15 1inz h MET 81 CO 0.13 0.86 -0.93 1.49 0.23 0.00 0.00 176.91 178.69 1inz h GLU 82 N 0.33 0.44 -0.17 0.39 4.81 -1.18 -2.28 114.58 116.92 1inz h GLU 82 Ca 0.01 -0.46 -0.15 0.00 -0.13 0.00 0.00 59.36 58.63 1inz h GLU 82 Cb 1.05 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1inz h GLU 82 CO 0.09 1.12 -0.47 -0.92 -0.73 0.00 0.00 179.01 178.11 1inz h TYR 83 N 0.25 0.80 0.00 0.92 5.03 -1.22 -3.16 116.97 119.58 1inz h TYR 83 Ca -0.08 -0.31 -0.11 0.00 2.58 0.00 0.00 58.73 60.81 1inz h TYR 83 Cb 1.57 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 39.69 1inz h TYR 83 CO 0.06 1.09 -0.52 -0.07 -1.32 0.00 0.00 178.16 177.40 1inz h LEU 84 N 0.28 0.00 -2.15 2.82 3.38 -1.44 -2.20 115.31 116.00 1inz h LEU 84 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1inz h LEU 84 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1inz h LEU 84 CO 0.10 0.52 -0.06 0.40 0.09 0.00 0.00 178.44 179.49 1inz h ILE 85 N 0.00 0.36 0.00 1.22 2.04 -1.38 0.29 117.51 120.04 1inz h ILE 85 Ca -0.01 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1inz h ILE 85 Cb 0.97 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1inz h ILE 85 CO 0.07 0.06 -0.04 0.29 0.00 0.00 0.00 178.15 178.53 1inz n LYS 86 N -3.47 0.02 0.07 2.37 5.02 -1.04 -4.51 118.16 116.62 1inz n LYS 86 Ca -0.02 0.03 -0.02 0.00 -2.02 0.00 0.00 58.31 56.28 1inz n LYS 86 Cb 0.19 -0.56 -0.07 0.00 -0.02 0.00 0.00 35.03 34.57 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 -0.04 0.96 0.00 -0.18 1.03 -1.53 -3.38 112.91 109.77 1inz h THR 87 Ca 0.00 -2.52 0.00 0.00 -0.01 0.00 0.00 66.41 63.88 1inz h THR 87 Cb 0.04 2.41 0.00 0.00 -1.07 0.00 0.00 68.15 69.53 1inz h THR 87 CO 0.00 0.55 0.00 0.61 -0.01 0.00 0.00 175.52 176.67 1inz n GLY 88 N 1.35 -3.03 0.00 2.99 0.00 0.90 -4.75 105.19 102.65 1inz n GLY 88 Ca -0.05 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.96 0.00 0.09 1.61 2.88 -0.50 -3.68 113.62 112.05 1inz n SER 89 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1inz n SER 89 Cb 0.00 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.28 0.09 0.07 -1.46 1.02 -1.26 -2.08 120.64 116.73 1inz n GLU 90 Ca 0.00 0.53 -0.21 0.00 -0.02 0.00 0.00 57.16 57.46 1inz n GLU 90 Cb 0.00 -1.75 -0.14 0.00 -0.02 0.00 0.00 31.44 29.53 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 0.41 0.00 3.49 2.47 -1.93 -2.65 114.38 116.17 1inz h ARG 91 Ca 0.00 -0.62 -0.00 0.00 -1.26 0.00 0.00 59.98 58.10 1inz h ARG 91 Cb 0.07 0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1inz h ARG 91 CO 0.00 1.28 -0.00 0.28 0.56 0.00 0.00 179.97 182.08 1inz h VAL 92 N -0.14 0.60 0.03 2.04 2.07 -1.69 -1.10 116.25 118.05 1inz h VAL 92 Ca -0.16 -0.02 -0.26 0.00 0.82 0.00 0.00 66.70 67.08 1inz h VAL 92 Cb 1.72 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 1inz h VAL 92 CO 0.18 0.00 -1.39 -1.28 0.02 0.00 0.00 177.57 175.10 1inz h SER 93 N 0.00 0.09 -0.07 0.57 0.87 -1.59 -3.16 113.55 110.28 1inz h SER 93 Ca -0.00 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 1inz h SER 93 Cb 0.01 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1inz h SER 93 CO 0.00 1.11 -0.02 1.56 -0.53 0.00 0.00 176.83 178.95 1inz h GLN 94 N 0.02 0.13 -0.71 2.24 1.08 -0.85 -2.87 115.11 114.14 1inz h GLN 94 Ca -0.17 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.00 1inz h GLN 94 Cb 1.92 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 29.30 1inz h GLN 94 CO 0.12 0.49 0.47 0.37 -0.95 0.00 0.00 178.83 179.33 1inz h GLN 95 N -0.23 0.89 -0.82 1.46 4.15 -1.48 -1.48 115.11 117.60 1inz h GLN 95 Ca 0.02 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.45 1inz h GLN 95 Cb 0.45 -0.20 -0.06 0.00 0.21 0.00 0.00 27.48 27.88 1inz h GLN 95 CO 0.01 0.59 0.50 0.00 -1.93 0.00 0.00 178.83 178.00 1inz h LYS 97 N 0.91 0.00 0.00 0.00 3.64 -1.07 -1.75 116.57 118.29 1inz h LYS 97 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1inz h LYS 97 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1inz h LYS 97 CO -0.18 0.38 -0.27 0.39 -2.27 0.00 0.00 179.45 177.51 1inz n GLU 98 N -3.95 0.26 -2.24 1.90 1.02 -0.00 -3.86 120.64 113.77 1inz n GLU 98 Ca -0.02 0.15 -0.16 0.00 -0.02 0.00 0.00 57.16 57.12 1inz n GLU 98 Cb 0.43 -1.74 0.03 0.00 -0.02 0.00 0.00 31.44 30.14 1inz n GLU 98 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1inz n ASN 99 N -2.16 3.83 0.20 1.62 4.13 0.74 -4.81 115.26 118.81 1inz n ASN 99 Ca 0.05 -3.22 0.04 0.00 1.68 0.00 0.00 54.58 53.13 1inz n ASN 99 Cb 0.43 -0.39 0.43 0.00 -1.54 0.00 0.00 39.78 38.71 1inz n ASN 99 CO 0.00 0.00 0.00 -0.03 0.28 0.00 0.00 177.26 177.51 1inz h MET 100 N 2.28 0.01 0.00 3.52 4.05 -1.45 -1.66 114.93 121.69 1inz h MET 100 Ca 0.21 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 1inz h MET 100 Cb 1.45 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.25 1inz h MET 100 CO 0.57 0.28 0.00 0.66 0.23 0.00 0.00 176.91 178.65 1inz n TYR 101 N -4.21 0.42 -0.01 1.39 4.01 -1.26 -1.66 117.16 115.84 1inz n TYR 101 Ca -0.02 0.19 -0.21 0.00 -0.16 0.00 0.00 57.90 57.70 1inz n TYR 101 Cb 0.32 -0.81 -0.14 0.00 -0.31 0.00 0.00 39.34 38.41 1inz n TYR 101 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1inz n ALA 102 N -1.65 0.89 0.23 -0.72 0.00 -0.63 -2.74 120.51 115.89 1inz n ALA 102 Ca 0.01 -0.60 0.12 0.00 0.00 0.00 0.00 53.44 52.97 1inz n ALA 102 Cb 0.10 -0.65 0.35 0.00 0.00 0.00 0.00 19.45 19.25 1inz n ALA 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1inz h VAL 103 N -0.00 0.16 0.00 0.00 2.07 -1.47 -3.17 116.25 113.84 1inz h VAL 103 Ca -0.43 -0.99 -0.19 0.00 0.82 0.00 0.00 66.70 65.91 1inz h VAL 103 Cb 1.98 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 33.59 1inz h VAL 103 CO 0.06 0.08 -1.57 0.00 0.02 0.00 0.00 177.57 176.16 1inz n GLN 104 N -3.15 0.63 0.19 1.57 6.02 -0.67 -3.89 117.38 118.09 1inz n GLN 104 Ca 0.02 0.19 0.14 0.00 -0.01 0.00 0.00 57.00 57.34 1inz n GLN 104 Cb 0.47 -1.77 0.64 0.00 1.02 0.00 0.00 30.24 30.60 1inz n GLN 104 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1inz h THR 105 N 0.00 0.00 -0.33 5.09 1.03 -1.48 -2.60 112.91 114.62 1inz h THR 105 Ca -0.21 -0.16 -0.17 0.00 -0.01 0.00 0.00 66.41 65.86 1inz h THR 105 Cb 1.67 0.87 -0.00 0.00 -1.07 0.00 0.00 68.15 69.62 1inz h THR 105 CO 0.05 0.00 -0.47 -0.07 -0.01 0.00 0.00 175.52 175.01 1inz h LEU 106 N 0.00 0.99 -1.60 0.00 3.38 -1.67 -2.70 115.31 113.70 1inz h LEU 106 Ca 0.00 -0.49 0.27 0.00 0.09 0.00 0.00 57.88 57.75 1inz h LEU 106 Cb 0.22 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 1inz h LEU 106 CO 0.00 1.29 0.69 0.11 0.09 0.00 0.00 178.44 180.62 1inz h LYS 107 N 0.71 0.26 0.00 1.13 1.57 -1.68 0.30 116.57 118.86 1inz h LYS 107 Ca 0.04 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 1inz h LYS 107 Cb 1.08 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 1inz h LYS 107 CO 0.11 0.17 -1.15 0.22 -0.57 0.00 0.00 179.45 178.23 1inz h ASP 108 N 0.26 0.00 -0.51 0.86 3.58 -1.69 -3.46 116.42 115.47 1inz h ASP 108 Ca 0.54 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 57.32 1inz h ASP 108 Cb 1.62 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.64 1inz h ASP 108 CO -0.18 0.60 1.45 0.33 -2.88 0.00 0.00 179.24 178.56 1inz n PHE 109 N -3.02 1.24 -4.09 0.28 -0.00 0.11 -4.88 117.46 107.09 1inz n PHE 109 Ca -0.06 0.48 -0.08 0.00 -0.00 0.00 0.00 57.45 57.79 1inz n PHE 109 Cb 0.83 -2.42 -0.10 0.00 -0.00 0.00 0.00 39.48 37.79 1inz n PHE 109 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.76 177.90 1inz s GLN 110 N 6.73 0.74 -0.29 -4.13 -2.07 -1.26 -4.88 119.66 114.50 1inz s GLN 110 Ca 1.17 -1.28 -0.15 0.00 -1.82 0.00 0.00 55.36 53.29 1inz s GLN 110 Cb -1.13 0.23 0.13 0.00 -1.09 0.00 0.00 33.01 31.15 1inz s GLN 110 CO 0.54 -0.17 0.86 -0.47 -1.32 0.00 0.00 175.29 174.73 1inz s TYR 111 N -3.96 -0.80 -0.45 9.60 6.14 -1.26 -4.94 117.35 121.68 1inz s TYR 111 Ca 0.13 1.55 0.05 0.00 0.64 0.00 0.00 57.07 59.44 1inz s TYR 111 Cb 0.08 0.48 0.18 0.00 0.42 0.00 0.00 41.96 43.11 1inz s TYR 111 CO -0.06 -0.40 0.50 0.08 0.64 0.00 0.00 175.55 176.31 1inz s VAL 112 N 1.74 -0.24 0.04 3.14 1.01 -1.26 -4.75 120.40 120.08 1inz s VAL 112 Ca -0.08 -1.88 -0.01 0.00 0.00 0.00 0.00 61.98 60.00 1inz s VAL 112 Cb -0.05 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 1inz s VAL 112 CO -0.17 -0.70 -0.02 0.47 0.00 0.00 0.00 175.10 174.67 1inz n ASP 113 N 2.97 0.72 -0.03 3.32 9.92 -1.26 -4.33 116.55 127.87 1inz n ASP 113 Ca 0.24 0.10 -0.14 0.00 -0.53 0.00 0.00 54.79 54.45 1inz n ASP 113 Cb 0.51 -0.25 -0.09 0.00 -0.64 0.00 0.00 41.12 40.65 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 -0.06 0.25 0.00 -1.24 0.11 -1.98 -3.25 114.38 108.21 1inz h ARG 114 Ca 0.00 -0.18 -0.14 0.00 0.10 0.00 0.00 59.98 59.76 1inz h ARG 114 Cb 0.06 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.15 1inz h ARG 114 CO 0.00 0.81 -0.65 -0.44 0.10 0.00 0.00 179.97 179.79 1inz h ASP 115 N -0.26 0.00 -0.26 0.08 5.19 -1.94 -3.46 116.42 115.77 1inz h ASP 115 Ca -0.01 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.29 1inz h ASP 115 Cb 0.83 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.30 1inz h ASP 115 CO 0.04 0.65 -0.10 0.61 -3.12 0.00 0.00 179.24 177.32 1inz n GLY 116 N 0.70 0.67 3.12 2.75 0.00 -1.23 -4.97 105.19 106.25 1inz n GLY 116 Ca -0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.05 0.80 -0.35 1.61 2.20 -1.26 -4.97 119.74 115.71 1inz s LYS 117 Ca 0.00 -0.75 -0.14 0.00 -0.36 0.00 0.00 55.97 54.72 1inz s LYS 117 Cb 0.00 -0.76 -0.01 0.00 -1.51 0.00 0.00 37.83 35.55 1inz s LYS 117 CO 0.00 0.18 0.28 0.34 -0.36 0.00 0.00 175.35 175.79 1inz s ASP 118 N -1.26 6.09 -0.07 1.43 2.15 -1.26 -4.62 116.67 119.13 1inz s ASP 118 Ca -0.01 -0.47 0.19 0.00 0.43 0.00 0.00 52.55 52.69 1inz s ASP 118 Cb -0.08 -2.15 0.39 0.00 -0.30 0.00 0.00 42.92 40.77 1inz s ASP 118 CO 0.01 -0.30 1.17 0.00 -0.17 0.00 0.00 175.17 175.89 1inz n GLN 119 N 5.18 0.53 -0.89 4.34 10.64 -1.26 -4.84 117.38 131.08 1inz n GLN 119 Ca -0.12 -2.34 -0.18 0.00 -1.83 0.00 0.00 57.00 52.54 1inz n GLN 119 Cb 0.49 -0.59 0.06 0.00 -0.86 0.00 0.00 30.24 29.34 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 -0.11 4.11 0.12 2.61 0.00 -1.26 -4.34 105.19 106.33 1inz n GLY 120 Ca 0.10 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 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 0.89 1.36 -0.49 1.61 3.04 -1.93 -2.87 116.25 117.85 1inz h VAL 121 Ca 0.34 -2.54 0.10 0.00 -1.01 0.00 0.00 66.70 63.59 1inz h VAL 121 Cb 1.18 3.07 -0.09 0.00 -2.01 0.00 0.00 31.29 33.44 1inz h VAL 121 CO 0.81 0.73 -0.06 -1.13 -1.01 0.00 0.00 177.57 176.91 1inz h ASN 122 N -0.26 -0.34 1.38 3.17 -1.24 -2.01 0.16 115.58 116.44 1inz h ASN 122 Ca -0.20 0.13 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1inz h ASN 122 Cb 1.77 0.26 0.00 0.00 0.73 0.00 0.00 38.32 41.08 1inz h ASN 122 CO 0.15 -0.12 0.00 1.62 -1.29 0.00 0.00 177.43 177.79 1inz h VAL 123 N 0.05 0.00 0.02 2.57 3.04 -1.89 -2.83 116.25 117.22 1inz h VAL 123 Ca 0.24 -0.52 -0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1inz h VAL 123 Cb 0.37 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.12 1inz h VAL 123 CO -0.46 0.00 -0.01 -0.09 -1.01 0.00 0.00 177.57 175.99 1inz h ARG 124 N 0.00 -0.03 -0.64 4.17 1.12 -0.51 -3.04 114.38 115.45 1inz h ARG 124 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.88 1inz h ARG 124 Cb 0.69 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.63 1inz h ARG 124 CO 0.00 -0.02 0.43 1.05 -3.11 0.00 0.00 179.97 178.31 1inz h GLU 125 N -0.31 0.85 -0.15 0.20 4.11 -1.36 -2.70 114.58 115.22 1inz h GLU 125 Ca -0.00 -0.05 0.04 0.00 0.07 0.00 0.00 59.36 59.42 1inz h GLU 125 Cb 0.03 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 1inz h GLU 125 CO 0.01 0.56 -0.14 -0.22 0.07 0.00 0.00 179.01 179.29 1inz h LYS 126 N 0.87 -0.16 -0.91 1.06 3.11 -1.67 -1.34 116.57 117.53 1inz h LYS 126 Ca 0.24 0.01 0.12 0.00 -2.81 0.00 0.00 60.65 58.21 1inz h LYS 126 Cb -0.10 0.04 -0.08 0.00 -1.00 0.00 0.00 32.23 31.08 1inz h LYS 126 CO -0.05 -0.10 0.53 0.00 -2.81 0.00 0.00 179.45 177.02 1inz h ALA 127 N 0.92 1.36 -1.00 5.00 0.00 -1.38 -0.40 119.26 123.76 1inz h ALA 127 Ca 0.10 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1inz h ALA 127 Cb 0.31 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1inz h ALA 127 CO -0.25 0.09 0.65 -0.22 0.00 0.00 0.00 179.25 179.53 1inz h LYS 128 N 0.83 1.20 -0.26 0.00 3.64 -0.95 -2.35 116.57 118.69 1inz h LYS 128 Ca 0.46 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.80 1inz h LYS 128 Cb 0.52 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1inz h LYS 128 CO -0.29 0.80 0.06 1.96 -2.27 0.00 0.00 179.45 179.71 1inz h GLN 129 N 1.24 0.16 -0.21 1.90 4.20 -0.51 -0.10 115.11 121.78 1inz h GLN 129 Ca 0.41 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.17 1inz h GLN 129 Cb 0.06 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1inz h GLN 129 CO -0.14 0.11 0.17 1.25 -0.67 0.00 0.00 178.83 179.54 1inz h LEU 130 N 0.17 0.00 -0.19 1.46 5.85 -1.27 0.15 115.31 121.48 1inz h LEU 130 Ca 0.12 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.68 1inz h LEU 130 Cb 0.11 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1inz h LEU 130 CO -0.14 0.00 -0.72 0.58 -0.34 0.00 0.00 178.44 177.81 1inz h VAL 131 N 0.00 1.31 0.13 1.05 2.07 -0.82 -3.10 116.25 116.89 1inz h VAL 131 Ca 0.10 -2.67 -0.01 0.00 0.82 0.00 0.00 66.70 64.94 1inz h VAL 131 Cb 0.43 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1inz h VAL 131 CO -0.00 0.71 -0.06 0.00 0.02 0.00 0.00 177.57 178.24 1inz h ALA 132 N 1.28 -0.17 -0.56 1.67 0.00 0.76 -1.81 119.26 120.44 1inz h ALA 132 Ca -0.01 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.76 1inz h ALA 132 Cb 1.47 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 1inz h ALA 132 CO 0.09 -0.28 0.38 -0.07 0.00 0.00 0.00 179.25 179.37 1inz h LEU 133 N -0.80 0.27 -0.08 0.00 4.07 -1.46 1.90 115.31 119.22 1inz h LEU 133 Ca -0.02 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 1inz h LEU 133 Cb 0.55 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 1inz h LEU 133 CO 0.03 0.16 -0.36 -0.07 -1.08 0.00 0.00 178.44 177.12 1inz h LEU 134 N 0.30 0.00 -5.00 1.67 3.38 -1.53 -3.41 115.31 110.72 1inz h LEU 134 Ca 0.26 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 1inz h LEU 134 Cb 0.62 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.23 1inz h LEU 134 CO -0.06 0.36 -0.34 -1.14 0.09 0.00 0.00 178.44 177.35 1inz n ARG 135 N -3.20 0.71 -0.02 1.13 0.63 0.25 -4.96 116.66 111.18 1inz n ARG 135 Ca 0.02 -1.54 -0.00 0.00 -0.92 0.00 0.00 57.85 55.41 1inz n ARG 135 Cb 0.66 -0.97 -0.00 0.00 0.45 0.00 0.00 32.46 32.60 1inz n ARG 135 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1inz h ASP 136 N 3.27 0.00 -5.31 6.15 3.58 0.27 -3.43 116.42 120.95 1inz h ASP 136 Ca -0.16 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.28 1inz h ASP 136 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1inz h ASP 136 CO 0.14 0.20 -0.98 1.21 -2.88 0.00 0.00 179.24 176.92 1inz n GLU 137 N -3.02 -3.07 -0.84 0.28 4.07 -1.26 -5.04 120.64 111.76 1inz n GLU 137 Ca -0.00 2.52 0.00 0.00 -0.06 0.00 0.00 57.16 59.62 1inz n GLU 137 Cb 0.01 -4.84 0.00 0.00 -0.06 0.00 0.00 31.44 26.55 1inz n GLU 137 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1inz n ASP 138 N 0.74 0.21 -4.74 4.31 5.68 -1.26 -5.07 116.55 116.43 1inz n ASP 138 Ca 0.00 -0.76 -0.41 0.00 -0.50 0.00 0.00 54.79 53.13 1inz n ASP 138 Cb 0.08 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.02 1inz n ASP 138 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1inz s ARG 139 N -0.86 4.70 -0.46 0.11 0.52 -1.26 -5.00 118.95 116.71 1inz s ARG 139 Ca 0.00 1.60 0.05 0.00 -0.52 0.00 0.00 55.73 56.87 1inz s ARG 139 Cb 0.00 -3.29 0.18 0.00 0.52 0.00 0.00 34.95 32.37 1inz s ARG 139 CO 0.00 0.26 0.52 -0.11 0.02 0.00 0.00 175.30 176.00 1inz n LEU 140 N 2.01 -1.76 0.00 2.53 -0.00 -1.26 -5.06 117.00 113.46 1inz n LEU 140 Ca 0.01 -3.76 0.00 0.00 -0.00 0.00 0.00 56.01 52.26 1inz n LEU 140 Cb 0.47 0.65 0.00 0.00 -0.00 0.00 0.00 43.42 44.54 1inz n LEU 140 CO 0.52 1.91 0.05 0.54 -0.00 0.00 0.00 177.39 180.40 1inz n ARG 141 N 2.78 0.00 -3.34 1.96 5.12 -1.26 -5.02 116.66 116.90 1inz n ARG 141 Ca 0.24 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 56.02 1inz n ARG 141 Cb 0.52 -0.43 -0.04 0.00 -1.16 0.00 0.00 32.46 31.35 1inz n ARG 141 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1inz n GLU 142 N -0.19 0.74 -3.90 5.56 4.71 -1.26 -5.11 120.64 121.20 1inz n GLU 142 Ca 0.00 -1.92 -0.29 0.00 -0.01 0.00 0.00 57.16 54.94 1inz n GLU 142 Cb 0.00 1.04 -0.12 0.00 -1.01 0.00 0.00 31.44 31.34 1inz n GLU 142 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1inz s GLU 143 N -2.86 2.34 0.00 3.49 2.02 -1.26 -5.27 118.70 117.16 1inz s GLU 143 Ca 0.11 -3.07 0.00 0.00 0.02 0.00 0.00 54.97 52.03 1inz s GLU 143 Cb 0.01 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.81 1inz s GLU 143 CO 0.08 -1.22 0.00 -2.13 0.02 0.00 0.00 175.26 172.01