#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 -1.73 -2.54 1.61 7.64 -1.26 -3.84 113.62 113.51 1inz n SER -2 Ca 0.00 -0.71 -0.05 0.00 1.01 0.00 0.00 58.87 59.12 1inz n SER -2 Cb 0.00 -4.68 0.01 0.00 -1.01 0.00 0.00 64.21 58.53 1inz n SER -2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1inz n SER -1 N -3.10 -6.47 -3.83 6.43 7.64 -1.26 -5.04 113.62 107.99 1inz n SER -1 Ca -0.29 0.34 -0.23 0.00 1.01 0.00 0.00 58.87 59.69 1inz n SER -1 Cb 0.67 -4.30 -0.17 0.00 -1.01 0.00 0.00 64.21 59.40 1inz n SER -1 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1inz s ARG 0 N -2.32 0.92 0.12 1.43 3.52 -1.25 -4.97 118.95 116.40 1inz s ARG 0 Ca 0.16 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 1inz s ARG 0 Cb -0.04 -1.13 0.00 0.00 -1.56 0.00 0.00 34.95 32.22 1inz s ARG 0 CO 0.58 -0.25 0.00 -1.33 -0.81 0.00 0.00 175.30 173.49 1inz n MET 1 N 4.87 0.00 -3.99 5.12 2.81 -1.26 -4.96 117.12 119.72 1inz n MET 1 Ca -0.12 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.47 1inz n MET 1 Cb 0.50 0.00 -0.16 0.00 -0.71 0.00 0.00 33.22 32.85 1inz n MET 1 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1inz s SER 2 N -2.58 3.02 0.00 7.83 0.01 -1.26 -4.95 113.70 115.77 1inz s SER 2 Ca 0.00 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1inz s SER 2 Cb 0.00 -1.17 0.00 0.00 0.21 0.00 0.00 66.02 65.06 1inz s SER 2 CO 0.00 -0.11 0.09 0.41 0.41 0.00 0.00 173.24 174.04 1inz n THR 3 N 4.75 0.00 -0.33 1.44 -1.04 -1.26 -5.04 114.28 112.80 1inz n THR 3 Ca -0.15 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 1inz n THR 3 Cb 0.48 1.03 0.00 0.00 -1.82 0.00 0.00 70.33 70.02 1inz n THR 3 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1inz n SER 4 N -0.70 0.00 -3.59 8.00 3.41 -1.26 -5.13 113.62 114.35 1inz n SER 4 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1inz n SER 4 Cb 0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 1inz n SER 4 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1inz s SER 5 N -1.00 -0.55 0.00 4.04 1.04 -1.26 -5.04 113.70 110.94 1inz s SER 5 Ca 0.00 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1inz s SER 5 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1inz s SER 5 CO 0.00 -0.53 0.00 -0.11 0.98 0.00 0.00 173.24 173.58 1inz n LEU 6 N 1.20 0.00 -4.54 2.42 7.94 -1.26 -5.08 117.00 117.67 1inz n LEU 6 Ca -0.19 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.32 1inz n LEU 6 Cb 0.57 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.47 1inz n LEU 6 CO 0.22 0.00 2.01 -2.11 -1.11 0.00 0.00 177.39 176.40 1inz n ARG 7 N -0.50 1.07 -1.08 1.96 1.85 -1.26 -4.92 116.66 113.77 1inz n ARG 7 Ca 0.00 0.09 -0.29 0.00 -1.00 0.00 0.00 57.85 56.66 1inz n ARG 7 Cb 0.00 -3.14 0.18 0.00 -1.05 0.00 0.00 32.46 28.44 1inz n ARG 7 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1inz s ARG 8 N 7.94 0.46 -0.20 2.89 3.00 -1.26 -4.84 118.95 126.93 1inz s ARG 8 Ca 1.03 0.66 -0.37 0.00 0.00 0.00 0.00 55.73 57.05 1inz s ARG 8 Cb -0.36 -1.73 -0.14 0.00 0.00 0.00 0.00 34.95 32.72 1inz s ARG 8 CO 0.31 -2.75 1.82 0.94 0.00 0.00 0.00 175.30 175.63 1inz n GLN 9 N -4.21 1.59 -0.13 3.54 7.27 -1.26 -4.85 117.38 119.33 1inz n GLN 9 Ca 0.05 0.58 -0.28 0.00 0.07 0.00 0.00 57.00 57.43 1inz n GLN 9 Cb 0.56 -2.35 -0.10 0.00 2.41 0.00 0.00 30.24 30.77 1inz n GLN 9 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1inz n MET 10 N 6.04 0.57 -0.53 3.69 2.81 -1.26 -4.99 117.12 123.45 1inz n MET 10 Ca 0.25 0.24 -0.27 0.00 -1.81 0.00 0.00 57.70 56.12 1inz n MET 10 Cb 0.20 -1.46 0.20 0.00 -0.71 0.00 0.00 33.22 31.45 1inz n MET 10 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1inz n LYS 11 N -4.13 -2.48 -3.38 0.03 2.85 -1.26 -4.97 118.16 104.82 1inz n LYS 11 Ca -0.52 -0.72 -0.26 0.00 -1.05 0.00 0.00 58.31 55.76 1inz n LYS 11 Cb 0.88 -1.71 -0.08 0.00 -0.65 0.00 0.00 35.03 33.47 1inz n LYS 11 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1inz n ASN 12 N -2.59 1.86 -1.72 -5.58 6.94 -1.26 -5.07 115.26 107.85 1inz n ASN 12 Ca 0.04 -3.02 0.00 0.00 -0.02 0.00 0.00 54.58 51.58 1inz n ASN 12 Cb 0.53 -0.66 0.00 0.00 -2.36 0.00 0.00 39.78 37.29 1inz n ASN 12 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1inz n ILE 13 N 1.37 -5.49 -3.61 1.53 5.41 -1.26 -4.85 119.36 112.46 1inz n ILE 13 Ca 0.25 2.53 -0.38 0.00 1.00 0.00 0.00 62.75 66.16 1inz n ILE 13 Cb 0.46 -3.52 -0.11 0.00 -0.71 0.00 0.00 39.64 35.76 1inz n ILE 13 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1inz s VAL 14 N -3.71 5.30 -0.61 1.39 1.01 -1.26 -4.95 120.40 117.57 1inz s VAL 14 Ca 0.00 0.16 0.25 0.00 0.00 0.00 0.00 61.98 62.39 1inz s VAL 14 Cb 0.00 -3.51 0.25 0.00 0.00 0.00 0.00 36.38 33.12 1inz s VAL 14 CO 0.00 0.28 1.62 0.45 0.00 0.00 0.00 175.10 177.45 1inz h HIS 15 N 8.13 0.00 -6.81 5.22 3.86 -2.07 -3.47 115.15 120.01 1inz h HIS 15 Ca -0.36 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.29 1inz h HIS 15 Cb 1.18 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.47 1inz h HIS 15 CO 0.73 0.00 -0.89 -1.71 0.86 0.00 0.00 177.93 176.92 1inz n ASN 16 N -2.50 -1.19 -4.66 2.45 2.85 -1.26 -4.89 115.26 106.06 1inz n ASN 16 Ca 0.04 -1.10 -0.39 0.00 -0.11 0.00 0.00 54.58 53.03 1inz n ASN 16 Cb 0.47 -2.43 -0.07 0.00 1.24 0.00 0.00 39.78 38.98 1inz n ASN 16 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1inz s TYR 17 N -3.75 3.36 -0.20 1.20 1.13 -1.26 -4.87 117.35 112.96 1inz s TYR 17 Ca 0.35 0.65 0.02 0.00 -1.41 0.00 0.00 57.07 56.67 1inz s TYR 17 Cb -0.20 -2.57 0.06 0.00 -1.10 0.00 0.00 41.96 38.15 1inz s TYR 17 CO 0.95 -0.06 0.88 0.45 -2.51 0.00 0.00 175.55 175.26 1inz n SER 18 N 4.64 -0.73 0.07 -0.18 2.88 -1.26 -5.05 113.62 113.98 1inz n SER 18 Ca -0.07 -1.44 0.00 0.00 -1.33 0.00 0.00 58.87 56.03 1inz n SER 18 Cb 0.51 0.61 0.00 0.00 -0.75 0.00 0.00 64.21 64.58 1inz n SER 18 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1inz n GLU 19 N -0.39 0.00 -0.13 -1.46 -0.58 -1.26 -4.87 120.64 111.95 1inz n GLU 19 Ca -0.17 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.50 1inz n GLU 19 Cb 0.61 -0.04 0.02 0.00 -0.57 0.00 0.00 31.44 31.45 1inz n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1inz h ALA 20 N 0.00 0.51 -1.35 0.62 0.00 -1.97 -1.25 119.26 115.83 1inz h ALA 20 Ca 0.00 0.00 0.39 0.00 0.00 0.00 0.00 54.91 55.30 1inz h ALA 20 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1inz h ALA 20 CO 0.00 -0.12 1.11 1.05 0.00 0.00 0.00 179.25 181.29 1inz h GLU 21 N 0.46 0.00 0.00 0.00 4.11 -1.90 -0.18 114.58 117.07 1inz h GLU 21 Ca 0.17 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.50 1inz h GLU 21 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1inz h GLU 21 CO -0.10 0.00 -0.65 0.82 0.07 0.00 0.00 179.01 179.15 1inz h ILE 22 N 0.00 0.71 -1.12 -1.06 2.04 -1.57 -3.05 117.51 113.45 1inz h ILE 22 Ca 0.64 -1.73 0.35 0.00 1.00 0.00 0.00 64.86 65.12 1inz h ILE 22 Cb 2.86 1.53 -0.13 0.00 -0.74 0.00 0.00 36.82 40.34 1inz h ILE 22 CO -0.01 0.24 0.68 0.11 0.00 0.00 0.00 178.15 179.18 1inz h LYS 23 N -1.00 0.24 -0.01 2.37 6.56 -0.74 0.99 116.57 124.98 1inz h LYS 23 Ca -0.14 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.40 1inz h LYS 23 Cb 0.85 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.46 1inz h LYS 23 CO -0.09 0.16 -0.14 0.28 -2.06 0.00 0.00 179.45 177.61 1inz h VAL 24 N 0.25 1.56 -0.96 0.50 2.07 -1.47 -2.47 116.25 115.72 1inz h VAL 24 Ca 0.74 -1.82 0.27 0.00 0.82 0.00 0.00 66.70 66.70 1inz h VAL 24 Cb 1.96 2.73 -0.14 0.00 -1.52 0.00 0.00 31.29 34.32 1inz h VAL 24 CO -0.48 0.49 0.49 -0.09 0.02 0.00 0.00 177.57 178.00 1inz h ARG 25 N -0.58 0.39 -0.03 1.57 2.43 -0.71 -0.20 114.38 117.24 1inz h ARG 25 Ca -0.01 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1inz h ARG 25 Cb 0.87 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1inz h ARG 25 CO 0.03 0.26 -0.22 0.93 -1.51 0.00 0.00 179.97 179.46 1inz h GLU 26 N 0.40 0.20 -0.84 0.20 5.08 -1.41 -2.45 114.58 115.76 1inz h GLU 26 Ca 0.65 -0.17 0.20 0.00 -1.00 0.00 0.00 59.36 59.04 1inz h GLU 26 Cb 1.33 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.47 1inz h GLU 26 CO -0.56 0.85 0.02 0.00 -1.00 0.00 0.00 179.01 178.32 1inz h ALA 27 N 0.35 0.93 -0.01 3.43 0.00 -0.56 0.50 119.26 123.89 1inz h ALA 27 Ca -0.02 0.27 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1inz h ALA 27 Cb 0.90 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1inz h ALA 27 CO 0.04 -0.46 -0.73 1.79 0.00 0.00 0.00 179.25 179.89 1inz h THR 28 N 0.09 1.49 -4.18 0.00 1.35 -1.44 -3.44 112.91 106.76 1inz h THR 28 Ca 0.48 -2.41 -0.50 0.00 -0.55 0.00 0.00 66.41 63.43 1inz h THR 28 Cb 0.89 2.30 0.15 0.00 -1.73 0.00 0.00 68.15 69.76 1inz h THR 28 CO -0.75 0.69 0.27 -0.44 -0.25 0.00 0.00 175.52 175.05 1inz s SER 29 N -6.86 3.84 1.08 5.36 0.01 0.18 -4.05 113.70 113.26 1inz s SER 29 Ca -0.02 1.71 -0.21 0.00 1.31 0.00 0.00 55.95 58.74 1inz s SER 29 Cb 0.12 -2.38 0.01 0.00 0.21 0.00 0.00 66.02 63.98 1inz s SER 29 CO 0.79 -2.44 -0.44 0.59 0.41 0.00 0.00 173.24 172.16 1inz n ASN 30 N -3.77 -2.64 -4.13 2.44 3.02 -1.26 -4.93 115.26 103.99 1inz n ASN 30 Ca 0.08 -0.06 -0.35 0.00 -0.03 0.00 0.00 54.58 54.22 1inz n ASN 30 Cb 0.54 -0.84 -0.13 0.00 -0.61 0.00 0.00 39.78 38.74 1inz n ASN 30 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1inz s ASP 31 N -1.59 5.01 0.26 6.41 -1.08 -1.26 -4.92 116.67 119.50 1inz s ASP 31 Ca 0.50 -1.69 0.00 0.00 -0.52 0.00 0.00 52.55 50.84 1inz s ASP 31 Cb -0.06 -1.75 0.00 0.00 -1.46 0.00 0.00 42.92 39.65 1inz s ASP 31 CO 0.67 -0.39 0.00 -2.65 0.52 0.00 0.00 175.17 173.32 1inz n PRO 32 N 4.56 0.60 -2.82 4.34 -0.02 -1.26 -5.01 135.00 135.39 1inz n PRO 32 Ca -0.07 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.21 1inz n PRO 32 Cb 0.42 0.00 0.06 0.00 -0.02 0.00 0.00 33.50 33.96 1inz n PRO 32 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1inz s TRP 33 N -0.26 2.05 0.00 6.00 0.52 -1.26 -5.03 118.94 120.96 1inz s TRP 33 Ca 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 56.10 55.74 1inz s TRP 33 Cb 0.00 -2.58 0.00 0.00 -1.15 0.00 0.00 33.47 29.74 1inz s TRP 33 CO 0.00 -1.10 0.00 0.41 0.02 0.00 0.00 176.95 176.28 1inz n GLY 34 N -2.35 2.50 0.45 0.98 0.00 -1.26 -5.04 105.19 100.47 1inz n GLY 34 Ca 0.12 -0.69 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 1inz n GLY 34 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1inz h PRO 35 N 0.00 -0.99 -5.73 1.61 0.11 -2.04 -3.36 132.00 121.60 1inz h PRO 35 Ca 0.00 0.07 -0.34 0.00 0.11 0.00 0.00 66.00 65.84 1inz h PRO 35 Cb 0.00 0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 1inz h PRO 35 CO 0.00 -0.66 0.95 -1.12 -0.21 0.00 0.00 178.00 176.96 1inz s SER 36 N -3.86 4.89 0.17 -2.05 0.01 -1.26 -4.89 113.70 106.71 1inz s SER 36 Ca -0.16 0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.05 1inz s SER 36 Cb 0.03 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 1inz s SER 36 CO 0.51 -2.82 0.21 -0.94 0.41 0.00 0.00 173.24 170.61 1inz s SER 37 N 9.07 0.13 -0.31 2.44 1.04 -1.26 -5.14 113.70 119.67 1inz s SER 37 Ca 0.76 -1.08 -0.07 0.00 0.48 0.00 0.00 55.95 56.04 1inz s SER 37 Cb -0.11 0.40 0.19 0.00 0.10 0.00 0.00 66.02 66.60 1inz s SER 37 CO 0.11 -0.86 0.96 -0.55 0.98 0.00 0.00 173.24 173.88 1inz s SER 38 N -3.03 -0.62 -0.00 7.02 0.15 -1.26 -5.03 113.70 110.92 1inz s SER 38 Ca 0.24 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.86 1inz s SER 38 Cb 0.05 1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 65.55 1inz s SER 38 CO 0.04 -0.10 0.02 -0.11 1.20 0.00 0.00 173.24 174.29 1inz n LEU 39 N 4.77 0.00 -0.02 3.45 0.00 -1.26 -4.57 117.00 119.37 1inz n LEU 39 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.96 1inz n LEU 39 Cb 0.59 0.01 -0.10 0.00 0.00 0.00 0.00 43.42 43.91 1inz n LEU 39 CO -0.13 0.01 0.54 0.24 0.00 0.00 0.00 177.39 178.05 1inz h MET 40 N 0.00 -0.03 -0.14 1.96 2.86 -1.95 -2.65 114.93 114.97 1inz h MET 40 Ca -0.01 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1inz h MET 40 Cb 0.29 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1inz h MET 40 CO 0.00 0.58 0.11 0.66 1.06 0.00 0.00 176.91 179.31 1inz h SER 41 N -0.67 0.00 -0.04 1.22 4.64 -1.97 -2.31 113.55 114.42 1inz h SER 41 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1inz h SER 41 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1inz h SER 41 CO 0.01 0.00 -0.18 -0.33 -0.87 0.00 0.00 176.83 175.46 1inz h GLU 42 N 0.00 0.19 -0.90 4.77 5.08 -1.79 -2.20 114.58 119.73 1inz h GLU 42 Ca 0.07 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1inz h GLU 42 Cb 0.28 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1inz h GLU 42 CO -0.00 0.80 0.59 0.82 -1.00 0.00 0.00 179.01 180.21 1inz h ILE 43 N -0.37 1.08 -0.13 3.13 2.04 -1.06 -2.06 117.51 120.15 1inz h ILE 43 Ca -0.01 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1inz h ILE 43 Cb 0.82 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1inz h ILE 43 CO 0.04 0.19 -0.07 0.00 0.00 0.00 0.00 178.15 178.30 1inz h ALA 44 N 1.50 0.18 0.00 1.87 0.00 -1.46 -2.10 119.26 119.26 1inz h ALA 44 Ca 0.38 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1inz h ALA 44 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1inz h ALA 44 CO -0.14 -0.01 0.21 0.22 0.00 0.00 0.00 179.25 179.53 1inz h ASP 45 N -0.07 0.00 0.55 0.00 1.82 -0.81 0.16 116.42 118.06 1inz h ASP 45 Ca 0.03 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.38 1inz h ASP 45 Cb 0.55 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 1inz h ASP 45 CO 0.02 0.00 -1.50 -0.07 -1.61 0.00 0.00 179.24 176.08 1inz h LEU 46 N 0.00 0.22 -0.70 2.28 3.38 -0.72 -3.33 115.31 116.44 1inz h LEU 46 Ca 0.00 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.71 1inz h LEU 46 Cb 0.42 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 1inz h LEU 46 CO 0.00 1.28 0.39 0.71 0.09 0.00 0.00 178.44 180.90 1inz h THR 47 N 0.04 0.94 -1.22 0.22 1.35 -0.32 -0.30 112.91 113.62 1inz h THR 47 Ca -0.22 -0.24 0.43 0.00 -0.55 0.00 0.00 66.41 65.84 1inz h THR 47 Cb 1.97 0.18 -0.15 0.00 -1.73 0.00 0.00 68.15 68.43 1inz h THR 47 CO 0.13 0.13 0.75 1.88 -0.25 0.00 0.00 175.52 178.16 1inz h TYR 48 N 0.69 0.64 -1.34 4.73 0.05 -1.66 -3.19 116.97 116.90 1inz h TYR 48 Ca 0.33 0.03 -0.60 0.00 0.05 0.00 0.00 58.73 58.54 1inz h TYR 48 Cb 0.25 -0.15 -0.10 0.00 1.01 0.00 0.00 36.73 37.73 1inz h TYR 48 CO -0.08 -0.30 1.40 -0.80 -1.05 0.00 0.00 178.16 177.33 1inz s ASN 49 N -4.48 6.47 0.00 3.88 0.02 -0.13 -4.88 114.94 115.81 1inz s ASN 49 Ca -0.08 -1.37 0.00 0.00 -1.02 0.00 0.00 52.86 50.39 1inz s ASN 49 Cb 0.31 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 39.03 1inz s ASN 49 CO 0.81 -1.52 0.00 0.55 0.02 0.00 0.00 177.10 176.96 1inz n VAL 50 N 6.74 0.00 0.15 1.60 3.14 -1.20 0.12 118.33 128.88 1inz n VAL 50 Ca 0.29 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.61 1inz n VAL 50 Cb 0.51 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.26 1inz n VAL 50 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1inz h VAL 51 N 0.00 0.00 -0.91 1.55 2.07 -1.89 -2.99 116.25 114.08 1inz h VAL 51 Ca 0.00 -0.10 0.29 0.00 0.82 0.00 0.00 66.70 67.71 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 0.17 0.00 0.02 0.00 0.00 177.57 177.76 1inz n ALA 52 N -2.28 0.61 0.21 1.67 0.00 0.32 0.22 120.51 121.27 1inz n ALA 52 Ca -0.05 0.96 -0.15 0.00 0.00 0.00 0.00 53.44 54.20 1inz n ALA 52 Cb 0.16 -0.78 -0.07 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.84 -0.62 0.00 3.57 -1.32 0.63 116.94 118.36 1inz h PHE 53 Ca 0.62 0.00 0.15 0.00 3.53 0.00 0.00 57.97 62.27 1inz h PHE 53 Cb 1.43 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 40.46 1inz h PHE 53 CO -0.32 -0.45 0.43 1.03 -2.23 0.00 0.00 178.31 176.77 1inz h SER 54 N -0.67 0.17 1.16 0.41 0.87 -0.08 0.15 113.55 115.56 1inz h SER 54 Ca -0.02 0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.42 1inz h SER 54 Cb 0.60 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 1inz h SER 54 CO -0.05 0.09 -0.62 -0.33 -0.53 0.00 0.00 176.83 175.40 1inz h GLU 55 N 0.18 0.00 0.00 2.24 4.39 -0.39 -2.94 114.58 118.06 1inz h GLU 55 Ca 0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1inz h GLU 55 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1inz h GLU 55 CO -0.05 0.62 0.00 -0.89 -1.16 0.00 0.00 179.01 177.53 1inz n ILE 56 N -3.36 0.00 -0.36 3.13 5.41 0.44 -3.11 119.36 121.50 1inz n ILE 56 Ca 0.01 0.57 0.29 0.00 1.00 0.00 0.00 62.75 64.61 1inz n ILE 56 Cb 0.73 -1.54 0.58 0.00 -0.71 0.00 0.00 39.64 38.71 1inz n ILE 56 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1inz h MET 57 N 0.00 0.24 0.54 0.38 2.86 -1.55 -0.34 114.93 117.07 1inz h MET 57 Ca 0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1inz h MET 57 Cb 0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1inz h MET 57 CO 0.00 0.16 -0.46 1.03 1.06 0.00 0.00 176.91 178.70 1inz h SER 58 N 0.25 -1.24 0.04 1.22 0.87 -1.63 0.32 113.55 113.39 1inz h SER 58 Ca 0.67 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 61.32 1inz h SER 58 Cb 1.95 0.39 -0.00 0.00 -0.44 0.00 0.00 62.40 64.30 1inz h SER 58 CO -0.30 -0.64 -0.00 0.24 -0.53 0.00 0.00 176.83 175.60 1inz h MET 59 N -0.98 0.00 -0.00 2.24 2.86 -1.05 -0.32 114.93 117.68 1inz h MET 59 Ca -0.07 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.39 1inz h MET 59 Cb 0.83 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 1inz h MET 59 CO -0.01 0.00 -0.81 0.82 1.06 0.00 0.00 176.91 177.97 1inz h ILE 60 N 0.00 1.53 0.01 -1.22 2.04 0.14 -3.03 117.51 116.98 1inz h ILE 60 Ca -0.00 -2.63 -0.00 0.00 1.00 0.00 0.00 64.86 63.23 1inz h ILE 60 Cb 0.02 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1inz h ILE 60 CO 0.00 0.76 -0.00 -0.50 0.00 0.00 0.00 178.15 178.41 1inz h TRP 61 N 0.05 -0.01 0.06 1.37 -0.00 0.79 -1.93 115.95 116.29 1inz h TRP 61 Ca -0.02 -0.00 0.03 0.00 -0.00 0.00 0.00 58.89 58.89 1inz h TRP 61 Cb 1.42 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 30.54 1inz h TRP 61 CO 0.01 0.71 -0.36 0.87 -0.00 0.00 0.00 178.44 179.68 1inz h LYS 62 N -0.75 -0.53 0.00 0.49 6.56 -1.60 0.54 116.57 121.29 1inz h LYS 62 Ca -0.00 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1inz h LYS 62 Cb 0.72 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.51 1inz h LYS 62 CO 0.00 -0.35 0.00 0.54 -2.06 0.00 0.00 179.45 177.58 1inz n ARG 63 N -5.43 0.17 0.15 3.15 5.12 -1.15 -2.26 116.66 116.42 1inz n ARG 63 Ca -0.06 0.43 0.04 0.00 -1.93 0.00 0.00 57.85 56.33 1inz n ARG 63 Cb 0.35 -1.84 0.12 0.00 -1.16 0.00 0.00 32.46 29.92 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 -4.09 0.55 3.38 -0.07 -2.96 115.31 112.12 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 0.31 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.67 1inz h LEU 64 CO 0.00 0.46 -0.26 0.59 0.09 0.00 0.00 178.44 179.33 1inz n ASN 65 N -3.30 5.73 -3.60 -0.43 4.13 -0.88 -4.73 115.26 112.17 1inz n ASN 65 Ca 0.01 -3.76 0.00 0.00 1.68 0.00 0.00 54.58 52.51 1inz n ASN 65 Cb 0.67 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 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 -0.69 0.00 -1.47 6.41 5.75 -1.24 -5.04 116.55 120.27 1inz n ASP 66 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 1inz n ASP 66 Cb 0.76 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.85 1inz n ASP 66 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1inz n HIS 67 N -0.80 -1.27 -1.73 2.11 1.44 -1.26 -4.99 115.22 108.73 1inz n HIS 67 Ca 0.00 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.31 1inz n HIS 67 Cb 0.00 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.10 1inz n HIS 67 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1inz n GLY 68 N 5.00 4.80 1.08 -1.39 0.00 -1.26 -4.24 105.19 109.18 1inz n GLY 68 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 2.62 0.00 -1.88 1.61 4.81 -1.26 -4.95 118.16 119.11 1inz n LYS 69 Ca 0.68 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.74 1inz n LYS 69 Cb 0.25 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.33 1inz n LYS 69 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1inz n ASN 70 N -1.81 7.43 0.14 3.14 4.13 -1.26 -4.69 115.26 122.34 1inz n ASN 70 Ca 0.00 -3.77 0.08 0.00 1.68 0.00 0.00 54.58 52.57 1inz n ASN 70 Cb 0.00 -1.09 0.45 0.00 -1.54 0.00 0.00 39.78 37.61 1inz n ASN 70 CO 0.00 0.00 0.00 -2.67 0.28 0.00 0.00 177.26 174.87 1inz n TRP 71 N -0.39 0.56 -0.35 3.10 2.14 -1.26 -2.15 117.44 119.10 1inz n TRP 71 Ca 0.53 0.29 0.27 0.00 2.07 0.00 0.00 57.50 60.66 1inz n TRP 71 Cb 0.26 -0.92 0.56 0.00 -0.81 0.00 0.00 31.31 30.40 1inz n TRP 71 CO 0.00 0.00 0.00 -0.09 2.07 0.00 0.00 177.69 179.67 1inz h ARG 72 N 0.00 0.29 -0.19 -2.67 2.43 -1.95 0.27 114.38 112.57 1inz h ARG 72 Ca 0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1inz h ARG 72 Cb 0.14 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1inz h ARG 72 CO 0.00 0.19 0.10 0.45 -1.51 0.00 0.00 179.97 179.21 1inz h HIS 73 N 0.30 0.27 -0.67 2.20 3.86 -1.57 -2.48 115.15 117.05 1inz h HIS 73 Ca 0.64 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.97 1inz h HIS 73 Cb 1.78 -0.08 -0.10 0.00 1.06 0.00 0.00 27.41 30.07 1inz h HIS 73 CO -0.00 0.25 0.16 0.28 0.86 0.00 0.00 177.93 179.48 1inz h VAL 74 N 0.20 0.59 0.05 2.45 2.07 -0.28 0.94 116.25 122.27 1inz h VAL 74 Ca 0.07 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1inz h VAL 74 Cb 0.08 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1inz h VAL 74 CO -0.01 0.05 -0.14 0.22 0.02 0.00 0.00 177.57 177.71 1inz h TYR 75 N 0.28 -0.35 0.00 1.57 3.20 -1.23 0.35 116.97 120.78 1inz h TYR 75 Ca 0.36 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.24 1inz h TYR 75 Cb 0.58 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1inz h TYR 75 CO -0.25 -0.21 0.00 0.87 -1.64 0.00 0.00 178.16 176.93 1inz h LYS 76 N -0.26 0.00 0.02 1.82 1.79 -0.80 -1.29 116.57 117.86 1inz h LYS 76 Ca 0.03 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.28 1inz h LYS 76 Cb 0.29 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 1inz h LYS 76 CO -0.10 0.00 -1.02 0.00 -1.08 0.00 0.00 179.45 177.25 1inz h ALA 77 N 2.01 0.34 -0.17 3.86 0.00 0.12 -2.75 119.26 122.67 1inz h ALA 77 Ca 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 54.91 53.98 1inz h ALA 77 Cb 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1inz h ALA 77 CO 0.00 1.17 -0.08 0.52 0.00 0.00 0.00 179.25 180.85 1inz h MET 78 N 0.02 0.35 -0.10 0.00 2.86 -0.15 -1.72 114.93 116.19 1inz h MET 78 Ca -0.03 -0.16 -0.09 0.00 -2.06 0.00 0.00 59.70 57.37 1inz h MET 78 Cb 1.76 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.40 1inz h MET 78 CO 0.14 0.67 -0.34 0.00 1.06 0.00 0.00 176.91 178.44 1inz h THR 79 N 0.03 1.27 0.32 2.22 1.03 -1.62 -1.81 112.91 114.36 1inz h THR 79 Ca 0.04 -1.30 -0.02 0.00 -0.01 0.00 0.00 66.41 65.12 1inz h THR 79 Cb 0.56 1.57 0.00 0.00 -1.07 0.00 0.00 68.15 69.21 1inz h THR 79 CO 0.02 0.39 -0.15 0.25 -0.01 0.00 0.00 175.52 176.02 1inz h LEU 80 N 0.17 -0.37 -1.73 0.00 5.85 -1.35 -0.76 115.31 117.13 1inz h LEU 80 Ca 0.02 0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.04 1inz h LEU 80 Cb 0.68 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 1inz h LEU 80 CO 0.05 -0.19 0.72 -0.03 -0.34 0.00 0.00 178.44 178.65 1inz h MET 81 N -0.58 0.17 -0.28 1.25 4.05 -1.34 0.37 114.93 118.57 1inz h MET 81 Ca -0.04 -0.01 -0.16 0.00 -0.28 0.00 0.00 59.70 59.21 1inz h MET 81 Cb 0.33 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1inz h MET 81 CO 0.07 0.11 -0.46 1.49 0.23 0.00 0.00 176.91 178.35 1inz h GLU 82 N 0.18 0.75 -0.21 0.39 4.22 -1.18 -1.78 114.58 116.95 1inz h GLU 82 Ca 0.54 -0.42 -0.11 0.00 0.08 0.00 0.00 59.36 59.45 1inz h GLU 82 Cb 1.78 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 1inz h GLU 82 CO -0.13 1.05 -0.33 -0.92 -2.18 0.00 0.00 179.01 176.50 1inz h TYR 83 N 0.60 0.50 0.00 0.92 5.03 0.12 -2.81 116.97 121.33 1inz h TYR 83 Ca 0.03 -0.12 -0.04 0.00 2.58 0.00 0.00 58.73 61.18 1inz h TYR 83 Cb 1.03 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 39.18 1inz h TYR 83 CO 0.05 0.71 -0.25 -0.07 -1.32 0.00 0.00 178.16 177.29 1inz h LEU 84 N 0.37 0.00 -1.78 2.82 3.38 -1.25 -2.33 115.31 116.52 1inz h LEU 84 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1inz h LEU 84 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1inz h LEU 84 CO 0.06 0.18 -0.14 0.40 0.09 0.00 0.00 178.44 179.03 1inz h ILE 85 N 0.00 0.56 0.00 1.22 2.04 -1.05 0.82 117.51 121.11 1inz h ILE 85 Ca -0.01 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1inz h ILE 85 Cb 1.14 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1inz h ILE 85 CO 0.02 0.13 -0.72 1.17 0.00 0.00 0.00 178.15 178.76 1inz n LYS 86 N -3.60 0.38 -0.42 2.37 4.81 -1.20 -4.53 118.16 115.98 1inz n LYS 86 Ca -0.01 0.15 0.10 0.00 -0.87 0.00 0.00 58.31 57.68 1inz n LYS 86 Cb 0.27 -1.16 0.31 0.00 0.02 0.00 0.00 35.03 34.47 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 -4.05 1.15 -1.26 3.15 5.66 -0.88 -4.23 114.28 113.81 1inz n THR 87 Ca -0.10 -0.97 -0.20 0.00 -3.05 0.00 0.00 64.05 59.73 1inz n THR 87 Cb 0.37 0.35 0.19 0.00 -1.55 0.00 0.00 70.33 69.70 1inz n THR 87 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1inz n GLY 88 N 1.45 4.53 0.58 1.09 0.00 0.28 -4.20 105.19 108.93 1inz n GLY 88 Ca 0.23 -1.11 0.02 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.10 -3.15 0.00 1.61 2.88 -1.22 -3.69 113.62 108.96 1inz n SER 89 Ca 0.55 0.67 0.04 0.00 -1.33 0.00 0.00 58.87 58.79 1inz n SER 89 Cb 1.56 -1.51 0.19 0.00 -0.75 0.00 0.00 64.21 63.70 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 -2.25 0.04 -0.05 -1.46 1.02 -1.26 -2.53 120.64 114.14 1inz n GLU 90 Ca -0.01 0.31 -0.14 0.00 -0.02 0.00 0.00 57.16 57.30 1inz n GLU 90 Cb 0.21 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.06 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 0.44 -0.56 3.49 2.47 -1.92 -2.45 114.38 115.85 1inz h ARG 91 Ca 0.00 -0.27 0.10 0.00 -1.26 0.00 0.00 59.98 58.55 1inz h ARG 91 Cb 0.13 0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 28.39 1inz h ARG 91 CO 0.00 0.87 0.11 0.28 0.56 0.00 0.00 179.97 181.79 1inz h VAL 92 N 0.07 0.67 -0.49 2.04 2.07 -1.57 0.06 116.25 119.11 1inz h VAL 92 Ca 0.01 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1inz h VAL 92 Cb 0.83 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1inz h VAL 92 CO 0.06 0.05 0.05 -1.28 0.02 0.00 0.00 177.57 176.46 1inz h SER 93 N 0.25 0.74 -0.40 0.57 0.87 -1.69 -2.67 113.55 111.22 1inz h SER 93 Ca 0.29 -0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1inz h SER 93 Cb 0.41 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1inz h SER 93 CO -0.37 0.78 0.20 1.56 -0.53 0.00 0.00 176.83 178.47 1inz h GLN 94 N 0.74 0.40 -0.98 2.24 1.08 -0.51 -1.67 115.11 116.41 1inz h GLN 94 Ca 0.15 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 1inz h GLN 94 Cb 0.38 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.67 1inz h GLN 94 CO 0.01 0.27 0.63 0.37 -0.95 0.00 0.00 178.83 179.16 1inz h GLN 95 N 0.41 1.30 -0.95 1.46 5.75 -1.07 -1.57 115.11 120.45 1inz h GLN 95 Ca 0.17 -0.09 0.11 0.00 -0.15 0.00 0.00 58.65 58.69 1inz h GLN 95 Cb 0.07 -0.29 -0.08 0.00 1.07 0.00 0.00 27.48 28.25 1inz h GLN 95 CO -0.11 0.87 0.58 0.00 -2.65 0.00 0.00 178.83 177.52 1inz h LYS 97 N 0.94 0.00 0.00 0.00 3.64 -0.86 -0.35 116.57 119.94 1inz h LYS 97 Ca 0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1inz h LYS 97 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1inz h LYS 97 CO -0.25 0.56 -0.11 0.39 -2.27 0.00 0.00 179.45 177.76 1inz n GLU 98 N -3.81 0.14 -2.70 1.90 1.02 0.30 -3.89 120.64 113.60 1inz n GLU 98 Ca -0.01 0.10 -0.05 0.00 -0.02 0.00 0.00 57.16 57.18 1inz n GLU 98 Cb 0.58 -1.65 0.04 0.00 -0.02 0.00 0.00 31.44 30.39 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 -1.88 2.02 -0.11 1.62 3.02 0.70 -4.89 115.26 115.74 1inz n ASN 99 Ca 0.06 -2.39 0.03 0.00 -0.03 0.00 0.00 54.58 52.24 1inz n ASN 99 Cb 0.39 -0.47 0.34 0.00 -0.61 0.00 0.00 39.78 39.43 1inz n ASN 99 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1inz h MET 100 N 2.63 0.74 0.00 3.52 2.86 -1.18 -0.77 114.93 122.74 1inz h MET 100 Ca -0.06 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1inz h MET 100 Cb 1.27 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 1inz h MET 100 CO 0.33 0.49 -0.03 1.88 1.06 0.00 0.00 176.91 180.64 1inz h TYR 101 N 0.77 0.00 -0.08 -0.22 0.05 -1.90 -1.14 116.97 114.44 1inz h TYR 101 Ca 0.22 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.77 1inz h TYR 101 Cb -0.05 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.70 1inz h TYR 101 CO -0.00 0.03 -0.83 0.00 -1.05 0.00 0.00 178.16 176.31 1inz h ALA 102 N 1.97 0.21 0.00 3.88 0.00 -1.52 -0.16 119.26 123.65 1inz h ALA 102 Ca -0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 1inz h ALA 102 Cb 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1inz h ALA 102 CO 0.00 0.62 -0.47 0.28 0.00 0.00 0.00 179.25 179.68 1inz h VAL 103 N 0.38 0.99 0.00 0.00 2.07 -1.33 -3.16 116.25 115.21 1inz h VAL 103 Ca -0.08 -1.88 -0.11 0.00 0.82 0.00 0.00 66.70 65.44 1inz h VAL 103 Cb 1.47 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 33.36 1inz h VAL 103 CO 0.17 0.47 -1.16 1.56 0.02 0.00 0.00 177.57 178.63 1inz h GLN 104 N 0.00 0.00 0.00 1.57 4.20 -1.22 -3.32 115.11 116.33 1inz h GLN 104 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1inz h GLN 104 Cb 1.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 1inz h GLN 104 CO 0.06 0.23 -0.03 0.00 -0.67 0.00 0.00 178.83 178.42 1inz h THR 105 N 0.00 0.40 -0.33 -0.54 1.03 -0.97 -2.10 112.91 110.39 1inz h THR 105 Ca -0.10 -0.17 -0.17 0.00 -0.01 0.00 0.00 66.41 65.97 1inz h THR 105 Cb 1.39 1.12 -0.00 0.00 -1.07 0.00 0.00 68.15 69.59 1inz h THR 105 CO 0.04 0.03 -0.44 -0.07 -0.01 0.00 0.00 175.52 175.07 1inz h LEU 106 N 0.00 0.96 -1.39 0.00 3.38 -1.67 -2.19 115.31 114.40 1inz h LEU 106 Ca -0.00 -0.50 0.30 0.00 0.09 0.00 0.00 57.88 57.78 1inz h LEU 106 Cb 0.12 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 40.49 1inz h LEU 106 CO 0.00 1.27 0.71 0.50 0.09 0.00 0.00 178.44 181.01 1inz h LYS 107 N 0.68 0.31 0.00 1.13 3.64 -1.56 0.32 116.57 121.09 1inz h LYS 107 Ca 0.04 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 1inz h LYS 107 Cb 1.04 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 1inz h LYS 107 CO 0.10 0.20 -1.36 -0.25 -2.27 0.00 0.00 179.45 175.88 1inz n ASP 108 N -4.63 0.75 -4.67 4.20 9.92 -1.15 -4.87 116.55 116.10 1inz n ASP 108 Ca 0.28 0.31 -0.45 0.00 -0.53 0.00 0.00 54.79 54.40 1inz n ASP 108 Cb 1.00 0.46 -0.04 0.00 -0.64 0.00 0.00 41.12 41.90 1inz n ASP 108 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1inz n PHE 109 N -2.75 2.43 -3.62 1.24 7.35 0.11 -4.94 117.46 117.28 1inz n PHE 109 Ca -0.07 -0.23 -0.14 0.00 -0.76 0.00 0.00 57.45 56.25 1inz n PHE 109 Cb 0.72 -2.75 -0.07 0.00 0.35 0.00 0.00 39.48 37.73 1inz n PHE 109 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 1inz s GLN 110 N 4.38 0.85 -0.30 -4.13 1.03 -1.26 -4.83 119.66 115.41 1inz s GLN 110 Ca 0.91 0.93 -0.08 0.00 0.04 0.00 0.00 55.36 57.16 1inz s GLN 110 Cb -0.53 0.41 0.15 0.00 0.03 0.00 0.00 33.01 33.07 1inz s GLN 110 CO 0.46 -0.12 0.69 -0.47 -2.54 0.00 0.00 175.29 173.31 1inz s TYR 111 N 0.24 -1.32 -0.43 9.60 6.14 -1.26 -5.07 117.35 125.26 1inz s TYR 111 Ca -0.01 1.94 0.10 0.00 0.64 0.00 0.00 57.07 59.74 1inz s TYR 111 Cb -0.05 0.66 0.32 0.00 0.42 0.00 0.00 41.96 43.32 1inz s TYR 111 CO 0.02 -0.68 0.73 0.28 0.64 0.00 0.00 175.55 176.54 1inz n VAL 112 N 5.39 0.45 -1.45 3.14 0.31 -1.26 -4.91 118.33 120.01 1inz n VAL 112 Ca -0.08 -4.70 0.20 0.00 -0.01 0.00 0.00 64.34 59.75 1inz n VAL 112 Cb 0.50 -0.87 -0.05 0.00 -0.91 0.00 0.00 33.84 32.52 1inz n VAL 112 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1inz n ASP 113 N 0.42 -8.62 -0.20 4.52 8.00 -1.26 -1.08 116.55 118.32 1inz n ASP 113 Ca 0.26 0.62 0.01 0.00 0.71 0.00 0.00 54.79 56.39 1inz n ASP 113 Cb 0.58 -4.42 0.10 0.00 -0.02 0.00 0.00 41.12 37.36 1inz n ASP 113 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1inz h ARG 114 N -1.35 0.15 -0.14 -1.24 0.11 -2.02 -3.37 114.38 106.53 1inz h ARG 114 Ca 0.02 -0.01 -0.23 0.00 0.10 0.00 0.00 59.98 59.85 1inz h ARG 114 Cb 1.33 -0.03 -0.15 0.00 1.11 0.00 0.00 29.97 32.22 1inz h ARG 114 CO 0.01 0.10 -0.52 -3.47 0.10 0.00 0.00 179.97 176.19 1inz n ASP 115 N -5.23 -2.78 0.00 0.08 2.03 -1.25 -5.13 116.55 104.26 1inz n ASP 115 Ca 0.09 -3.26 0.00 0.00 0.52 0.00 0.00 54.79 52.14 1inz n ASP 115 Cb 0.34 1.72 0.00 0.00 -0.72 0.00 0.00 41.12 42.46 1inz n ASP 115 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1inz n GLY 116 N 1.70 1.14 0.00 0.27 0.00 -0.25 -5.13 105.19 102.92 1inz n GLY 116 Ca 0.10 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1inz n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1inz n LYS 117 N 0.00 3.79 -3.21 1.61 5.02 -1.26 -5.05 118.16 119.05 1inz n LYS 117 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 1inz n LYS 117 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 1inz n LYS 117 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1inz n ASP 118 N 0.00 -0.09 -1.63 4.39 -0.08 -1.26 -4.72 116.55 113.16 1inz n ASP 118 Ca 0.00 -2.65 -0.03 0.00 -1.51 0.00 0.00 54.79 50.61 1inz n ASP 118 Cb 0.00 -0.53 0.23 0.00 2.34 0.00 0.00 41.12 43.17 1inz n ASP 118 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1inz n GLN 119 N 1.72 3.14 -0.51 -0.67 10.64 -1.26 -4.07 117.38 126.37 1inz n GLN 119 Ca 0.22 -2.22 0.08 0.00 -1.83 0.00 0.00 57.00 53.26 1inz n GLN 119 Cb 0.52 -1.98 0.30 0.00 -0.86 0.00 0.00 30.24 28.23 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 0.05 3.04 0.12 2.61 0.00 -1.26 -4.46 105.19 105.29 1inz n GLY 120 Ca 0.28 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 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 3.24 1.30 -0.91 1.61 3.04 -1.94 -2.69 116.25 119.90 1inz h VAL 121 Ca 0.00 -2.48 0.25 0.00 -1.01 0.00 0.00 66.70 63.45 1inz h VAL 121 Cb 1.34 2.99 -0.16 0.00 -2.01 0.00 0.00 31.29 33.46 1inz h VAL 121 CO 0.20 0.71 0.12 -1.13 -1.01 0.00 0.00 177.57 176.46 1inz h ASN 122 N -0.34 -0.25 0.41 3.17 -1.24 -1.91 0.96 115.58 116.39 1inz h ASN 122 Ca -0.21 0.23 -0.31 0.00 0.71 0.00 0.00 56.30 56.72 1inz h ASN 122 Cb 1.70 0.37 0.01 0.00 0.73 0.00 0.00 38.32 41.14 1inz h ASN 122 CO 0.11 -0.26 -1.48 0.58 -1.29 0.00 0.00 177.43 175.10 1inz h VAL 123 N 0.10 1.25 0.32 2.57 2.07 -1.87 -2.96 116.25 117.72 1inz h VAL 123 Ca 0.56 -2.80 -0.00 0.00 0.82 0.00 0.00 66.70 65.27 1inz h VAL 123 Cb 1.14 2.89 -0.03 0.00 -1.52 0.00 0.00 31.29 33.77 1inz h VAL 123 CO -0.77 0.84 -0.44 -0.09 0.02 0.00 0.00 177.57 177.13 1inz h ARG 124 N 0.10 -0.76 -0.60 1.57 2.43 -0.51 -1.71 114.38 114.89 1inz h ARG 124 Ca -0.23 0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 58.90 1inz h ARG 124 Cb 2.06 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 31.76 1inz h ARG 124 CO 0.21 -0.51 0.04 0.93 -1.51 0.00 0.00 179.97 179.13 1inz h GLU 125 N -0.79 1.03 -0.30 0.20 5.08 -1.41 -2.90 114.58 115.50 1inz h GLU 125 Ca -0.04 -0.31 0.07 0.00 -1.00 0.00 0.00 59.36 58.08 1inz h GLU 125 Cb 0.72 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 1inz h GLU 125 CO -0.12 0.99 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.52 1inz h LYS 126 N 0.93 -0.09 -0.49 2.33 1.63 -1.34 -1.57 116.57 117.97 1inz h LYS 126 Ca 0.18 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.01 1inz h LYS 126 Cb 0.50 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.12 1inz h LYS 126 CO 0.02 -0.06 0.29 0.00 -3.45 0.00 0.00 179.45 176.25 1inz h ALA 127 N 1.15 0.62 -0.69 5.00 0.00 -1.26 -2.29 119.26 121.79 1inz h ALA 127 Ca 0.15 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1inz h ALA 127 Cb 0.33 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 1inz h ALA 127 CO -0.36 -0.02 0.13 -0.22 0.00 0.00 0.00 179.25 178.79 1inz h LYS 128 N 0.57 0.23 -0.14 0.00 3.64 -1.10 -0.93 116.57 118.84 1inz h LYS 128 Ca 0.20 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1inz h LYS 128 Cb 0.02 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1inz h LYS 128 CO -0.09 0.15 -0.10 1.96 -2.27 0.00 0.00 179.45 179.10 1inz h GLN 129 N 0.24 -0.10 -1.22 1.90 7.50 -0.82 -0.12 115.11 122.47 1inz h GLN 129 Ca 0.38 0.01 0.35 0.00 0.50 0.00 0.00 58.65 59.89 1inz h GLN 129 Cb 0.63 0.02 -0.06 0.00 0.05 0.00 0.00 27.48 28.13 1inz h GLN 129 CO -0.50 -0.07 0.87 1.25 -1.50 0.00 0.00 178.83 178.88 1inz h LEU 130 N -0.11 0.04 0.11 1.46 5.85 -1.01 0.48 115.31 122.13 1inz h LEU 130 Ca 0.09 0.01 -0.28 0.00 0.84 0.00 0.00 57.88 58.54 1inz h LEU 130 Cb 0.24 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1inz h LEU 130 CO -0.20 0.00 -1.32 0.58 -0.34 0.00 0.00 178.44 177.15 1inz h VAL 131 N 0.04 1.40 0.42 1.05 2.07 -0.84 -3.32 116.25 117.06 1inz h VAL 131 Ca 0.59 -3.00 -0.02 0.00 0.82 0.00 0.00 66.70 65.09 1inz h VAL 131 Cb 2.30 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 34.94 1inz h VAL 131 CO -0.04 0.87 -0.20 0.00 0.02 0.00 0.00 177.57 178.22 1inz h ALA 132 N 0.59 -0.58 -1.21 1.67 0.00 0.70 -1.54 119.26 118.89 1inz h ALA 132 Ca -0.16 -0.12 0.35 0.00 0.00 0.00 0.00 54.91 54.98 1inz h ALA 132 Cb 1.97 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.93 1inz h ALA 132 CO 0.18 -0.53 1.16 1.25 0.00 0.00 0.00 179.25 181.31 1inz h LEU 133 N -1.11 0.00 0.11 0.00 6.46 -1.36 0.75 115.31 120.16 1inz h LEU 133 Ca -0.06 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.35 1inz h LEU 133 Cb 0.43 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 1inz h LEU 133 CO 0.09 0.00 -1.93 -0.07 -0.62 0.00 0.00 178.44 175.92 1inz h LEU 134 N 0.00 0.37 -4.62 2.25 4.07 -1.64 -3.38 115.31 112.37 1inz h LEU 134 Ca 0.58 -0.81 -0.69 0.00 0.08 0.00 0.00 57.88 57.03 1inz h LEU 134 Cb 2.89 -0.12 -0.32 0.00 1.08 0.00 0.00 40.66 44.19 1inz h LEU 134 CO -0.01 1.73 0.46 -2.11 -1.08 0.00 0.00 178.44 177.43 1inz n ARG 135 N -3.43 2.97 -0.05 1.13 -4.01 0.25 -4.70 116.66 108.81 1inz n ARG 135 Ca -0.29 -3.77 -0.09 0.00 -1.04 0.00 0.00 57.85 52.66 1inz n ARG 135 Cb 1.05 -2.27 -0.08 0.00 -3.04 0.00 0.00 32.46 28.12 1inz n ARG 135 CO 0.00 0.00 0.00 0.22 -3.04 0.00 0.00 177.63 174.81 1inz h ASP 136 N 2.66 -0.02 -3.96 2.89 3.58 -1.29 -3.41 116.42 116.87 1inz h ASP 136 Ca 0.50 -0.61 -0.46 0.00 0.42 0.00 0.00 57.03 56.88 1inz h ASP 136 Cb 0.49 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1inz h ASP 136 CO 1.27 0.77 0.29 -1.61 -2.88 0.00 0.00 179.24 177.08 1inz s GLU 137 N -2.16 4.23 -1.25 0.28 2.02 -1.26 -3.89 118.70 116.68 1inz s GLU 137 Ca -0.12 1.06 -0.06 0.00 0.02 0.00 0.00 54.97 55.86 1inz s GLU 137 Cb -0.02 -2.32 0.01 0.00 0.10 0.00 0.00 34.13 31.90 1inz s GLU 137 CO 0.45 0.06 1.08 -3.47 0.02 0.00 0.00 175.26 173.39 1inz n ASP 138 N -0.40 -5.13 0.25 -0.19 2.03 -1.26 -4.87 116.55 106.98 1inz n ASP 138 Ca 0.05 -0.53 0.12 0.00 0.52 0.00 0.00 54.79 54.96 1inz n ASP 138 Cb 0.53 -4.81 0.60 0.00 -0.72 0.00 0.00 41.12 36.72 1inz n ASP 138 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1inz h ARG 139 N -2.37 0.00 -5.88 -0.67 3.08 -1.80 -3.41 114.38 103.33 1inz h ARG 139 Ca -0.54 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 58.99 1inz h ARG 139 Cb 1.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 1inz h ARG 139 CO 0.51 0.15 1.49 -1.17 -1.07 0.00 0.00 179.97 179.88 1inz s LEU 140 N -6.78 3.40 -0.79 3.04 0.20 -1.26 -4.86 118.68 111.64 1inz s LEU 140 Ca -0.00 1.12 0.02 0.00 0.69 0.00 0.00 54.13 55.96 1inz s LEU 140 Cb 0.11 -2.88 0.32 0.00 -0.43 0.00 0.00 46.19 43.31 1inz s LEU 140 CO 0.60 -2.40 1.32 -1.14 -0.29 0.00 0.00 176.35 174.44 1inz n ARG 141 N 8.91 4.16 -1.40 1.98 3.00 -1.26 -5.02 116.66 127.01 1inz n ARG 141 Ca 0.29 -4.76 -0.51 0.00 -0.00 0.00 0.00 57.85 52.88 1inz n ARG 141 Cb 0.51 -2.35 -0.09 0.00 0.00 0.00 0.00 32.46 30.53 1inz n ARG 141 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1inz n GLU 142 N -0.02 0.62 0.00 -0.14 -0.58 -1.26 -4.66 120.64 114.60 1inz n GLU 142 Ca 0.37 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 57.26 1inz n GLU 142 Cb 0.34 -2.13 0.00 0.00 -0.57 0.00 0.00 31.44 29.07 1inz n GLU 142 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1inz n GLU 143 N 8.11 0.00 0.00 3.49 2.13 -1.26 -5.31 120.64 127.80 1inz n GLU 143 Ca 0.48 0.00 0.14 0.00 0.66 0.00 0.00 57.16 58.44 1inz n GLU 143 Cb 0.15 -0.65 0.84 0.00 0.27 0.00 0.00 31.44 32.05 1inz n GLU 143 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59