#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1inz n SER -2 N 0.00 -0.19 -4.25 1.61 7.64 -1.26 -5.11 113.62 112.06 1inz n SER -2 Ca 0.00 -2.52 -0.24 0.00 1.01 0.00 0.00 58.87 57.12 1inz n SER -2 Cb 0.00 -0.59 -0.13 0.00 -1.01 0.00 0.00 64.21 62.48 1inz n SER -2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1inz s SER -1 N -0.51 2.40 0.00 6.43 0.01 -1.26 -5.08 113.70 115.70 1inz s SER -1 Ca 0.34 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1inz s SER -1 Cb 0.10 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1inz s SER -1 CO -0.16 0.11 0.00 0.54 0.41 0.00 0.00 173.24 174.15 1inz n ARG 0 N 1.62 0.00 0.00 12.44 1.74 -1.26 -5.01 116.66 126.19 1inz n ARG 0 Ca -0.18 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.04 1inz n ARG 0 Cb 0.53 0.00 0.58 0.00 -1.02 0.00 0.00 32.46 32.55 1inz n ARG 0 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1inz n MET 1 N 0.00 0.19 -4.51 5.56 1.56 -1.26 -4.78 117.12 113.88 1inz n MET 1 Ca 0.00 -0.04 -0.21 0.00 -0.27 0.00 0.00 57.70 57.18 1inz n MET 1 Cb 0.00 -1.50 -0.15 0.00 2.15 0.00 0.00 33.22 33.72 1inz n MET 1 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1inz s SER 2 N -2.84 1.42 0.15 6.12 0.01 -1.26 -5.02 113.70 112.28 1inz s SER 2 Ca 0.19 -0.22 0.23 0.00 1.31 0.00 0.00 55.95 57.45 1inz s SER 2 Cb 0.19 -0.27 0.07 0.00 0.21 0.00 0.00 66.02 66.22 1inz s SER 2 CO 0.54 0.12 1.08 0.41 0.41 0.00 0.00 173.24 175.79 1inz n THR 3 N 3.02 0.45 -2.84 1.44 -1.04 -1.26 -5.06 114.28 109.00 1inz n THR 3 Ca -0.16 -0.43 0.08 0.00 -2.04 0.00 0.00 64.05 61.50 1inz n THR 3 Cb 0.55 -0.18 -0.02 0.00 -1.82 0.00 0.00 70.33 68.86 1inz n THR 3 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1inz n SER 4 N -2.40 -5.67 0.00 8.00 2.88 -1.26 -4.89 113.62 110.27 1inz n SER 4 Ca 0.01 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1inz n SER 4 Cb 0.51 -1.79 0.00 0.00 -0.75 0.00 0.00 64.21 62.18 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 -2.82 0.00 -1.78 -3.46 7.64 -1.26 -5.13 113.62 106.80 1inz n SER 5 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1inz n SER 5 Cb 0.27 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 -2.45 -6.18 -1.99 -3.43 -0.00 -1.26 -4.61 117.00 97.07 1inz n LEU 6 Ca 0.00 3.09 -0.15 0.00 -0.00 0.00 0.00 56.01 58.94 1inz n LEU 6 Cb 0.00 -2.93 -0.04 0.00 -0.00 0.00 0.00 43.42 40.46 1inz n LEU 6 CO 0.00 -0.70 1.35 0.54 -0.00 0.00 0.00 177.39 178.58 1inz n ARG 7 N 0.58 1.84 -0.35 1.96 1.74 -1.26 -4.62 116.66 116.55 1inz n ARG 7 Ca 0.00 -1.35 0.25 0.00 -0.77 0.00 0.00 57.85 55.98 1inz n ARG 7 Cb 0.00 -1.71 0.49 0.00 -1.02 0.00 0.00 32.46 30.22 1inz n ARG 7 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1inz h ARG 8 N 2.08 0.33 -6.31 5.56 2.43 -2.05 -3.36 114.38 113.07 1inz h ARG 8 Ca 0.24 -0.02 -0.57 0.00 -0.81 0.00 0.00 59.98 58.82 1inz h ARG 8 Cb 1.00 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 1inz h ARG 8 CO 0.53 0.22 1.14 -1.14 -1.51 0.00 0.00 179.97 179.22 1inz s GLN 9 N -5.60 3.68 0.00 0.20 -0.44 -1.26 -4.99 119.66 111.25 1inz s GLN 9 Ca -0.10 1.51 0.00 0.00 -2.50 0.00 0.00 55.36 54.27 1inz s GLN 9 Cb 0.29 -4.06 0.00 0.00 -1.64 0.00 0.00 33.01 27.60 1inz s GLN 9 CO 0.80 -1.43 0.00 -1.33 0.50 0.00 0.00 175.29 173.83 1inz n MET 10 N 7.84 0.58 0.00 1.67 2.81 -1.26 -5.10 117.12 123.66 1inz n MET 10 Ca 0.19 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1inz n MET 10 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.97 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 -0.90 2.14 -2.68 0.03 5.02 -1.26 -5.06 118.16 115.45 1inz n LYS 11 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1inz n LYS 11 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 1inz n LYS 11 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1inz n ASN 12 N 0.00 -1.53 -1.70 4.39 2.85 -1.26 -5.13 115.26 112.88 1inz n ASN 12 Ca 0.00 -2.10 0.00 0.00 -0.11 0.00 0.00 54.58 52.37 1inz n ASN 12 Cb 0.00 1.06 0.00 0.00 1.24 0.00 0.00 39.78 42.08 1inz n ASN 12 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1inz n ILE 13 N -0.47 -5.11 -2.99 -1.44 5.41 -1.26 -4.74 119.36 108.76 1inz n ILE 13 Ca -0.14 2.37 -0.43 0.00 1.00 0.00 0.00 62.75 65.55 1inz n ILE 13 Cb 0.74 -3.36 -0.06 0.00 -0.71 0.00 0.00 39.64 36.26 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 -3.97 4.69 0.00 1.39 1.01 -1.26 -5.02 120.40 117.24 1inz s VAL 14 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1inz s VAL 14 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1inz s VAL 14 CO 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 175.10 174.45 1inz n HIS 15 N 6.60 0.00 -2.71 5.22 1.44 -1.26 -4.95 115.22 119.56 1inz n HIS 15 Ca 0.02 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.30 1inz n HIS 15 Cb 0.48 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.58 1inz n HIS 15 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1inz s ASN 16 N -1.00 6.77 -0.13 4.39 0.01 -1.26 -4.96 114.94 118.77 1inz s ASN 16 Ca 0.00 -2.26 0.00 0.00 -0.71 0.00 0.00 52.86 49.90 1inz s ASN 16 Cb 0.00 -2.51 -0.01 0.00 0.41 0.00 0.00 41.25 39.14 1inz s ASN 16 CO 0.00 -1.15 -0.14 -0.72 -1.51 0.00 0.00 177.10 173.58 1inz s TYR 17 N 3.60 2.79 0.14 2.20 1.13 -1.26 -4.95 117.35 121.00 1inz s TYR 17 Ca 0.46 -0.67 0.00 0.00 -1.41 0.00 0.00 57.07 55.46 1inz s TYR 17 Cb 0.00 -1.83 0.00 0.00 -1.10 0.00 0.00 41.96 39.03 1inz s TYR 17 CO -0.01 -0.22 0.00 0.45 -2.51 0.00 0.00 175.55 173.26 1inz n SER 18 N 3.50 -0.58 0.00 -0.18 2.88 -1.26 -5.12 113.62 112.86 1inz n SER 18 Ca -0.18 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1inz n SER 18 Cb 0.53 0.69 0.00 0.00 -0.75 0.00 0.00 64.21 64.68 1inz n SER 18 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1inz n GLU 19 N -2.90 0.00 0.10 -1.46 0.28 -1.26 -5.00 120.64 110.40 1inz n GLU 19 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.89 1inz n GLU 19 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 1inz n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1inz h ALA 20 N 0.00 -0.32 -1.41 -1.84 0.00 -1.95 -2.92 119.26 110.82 1inz h ALA 20 Ca 0.00 -0.20 0.41 0.00 0.00 0.00 0.00 54.91 55.12 1inz h ALA 20 Cb 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1inz h ALA 20 CO 0.00 -0.40 1.26 1.05 0.00 0.00 0.00 179.25 181.16 1inz h GLU 21 N -0.87 0.00 0.00 0.00 4.11 -1.86 0.60 114.58 116.56 1inz h GLU 21 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 1inz h GLU 21 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1inz h GLU 21 CO 0.05 0.00 -0.18 0.82 0.07 0.00 0.00 179.01 179.77 1inz h ILE 22 N 0.00 0.34 0.00 -1.06 1.08 -1.89 -2.83 117.51 113.16 1inz h ILE 22 Ca 0.67 -1.29 0.00 0.00 -0.39 0.00 0.00 64.86 63.86 1inz h ILE 22 Cb 3.19 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 37.61 1inz h ILE 22 CO -0.01 0.12 0.29 0.11 -0.69 0.00 0.00 178.15 177.97 1inz h LYS 23 N -1.00 0.00 0.10 2.37 1.57 -0.75 -0.04 116.57 118.82 1inz h LYS 23 Ca -0.02 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.42 1inz h LYS 23 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1inz h LYS 23 CO -0.01 0.00 -1.87 0.28 -0.57 0.00 0.00 179.45 177.28 1inz h VAL 24 N 0.00 0.74 -0.50 0.50 2.07 -1.27 -2.50 116.25 115.30 1inz h VAL 24 Ca 0.00 -2.48 -0.06 0.00 0.82 0.00 0.00 66.70 64.98 1inz h VAL 24 Cb 0.58 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 1inz h VAL 24 CO 0.00 0.80 0.05 -0.09 0.02 0.00 0.00 177.57 178.35 1inz h ARG 25 N 0.06 0.80 0.18 1.57 2.43 -0.75 -2.92 114.38 115.75 1inz h ARG 25 Ca -0.37 -0.19 -0.34 0.00 -0.81 0.00 0.00 59.98 58.26 1inz h ARG 25 Cb 2.03 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 31.49 1inz h ARG 25 CO 0.10 0.78 -1.69 0.93 -1.51 0.00 0.00 179.97 178.58 1inz h GLU 26 N 0.76 0.38 -1.01 0.20 5.08 -1.59 -3.34 114.58 115.06 1inz h GLU 26 Ca 0.15 -0.66 0.24 0.00 -1.00 0.00 0.00 59.36 58.09 1inz h GLU 26 Cb 0.39 0.24 -0.11 0.00 0.50 0.00 0.00 28.75 29.78 1inz h GLU 26 CO 0.01 1.31 0.62 0.00 -1.00 0.00 0.00 179.01 179.96 1inz h ALA 27 N 0.09 1.93 -0.71 3.43 0.00 -1.40 -0.42 119.26 122.18 1inz h ALA 27 Ca -0.33 0.09 -0.60 0.00 0.00 0.00 0.00 54.91 54.06 1inz h ALA 27 Cb 2.05 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 19.63 1inz h ALA 27 CO 0.17 -0.35 0.65 0.25 0.00 0.00 0.00 179.25 179.96 1inz n THR 28 N -4.75 3.43 -4.01 0.00 -2.24 -1.11 -4.78 114.28 100.82 1inz n THR 28 Ca 0.25 -3.49 0.03 0.00 -2.27 0.00 0.00 64.05 58.58 1inz n THR 28 Cb 0.75 -1.46 0.01 0.00 -2.10 0.00 0.00 70.33 67.52 1inz n THR 28 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1inz n SER 29 N 0.35 -0.97 -3.87 3.42 2.88 -0.17 -4.64 113.62 110.61 1inz n SER 29 Ca 0.51 -1.13 -0.30 0.00 -1.33 0.00 0.00 58.87 56.62 1inz n SER 29 Cb 0.43 1.49 0.22 0.00 -0.75 0.00 0.00 64.21 65.60 1inz n SER 29 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1inz s ASN 30 N -3.53 1.83 0.20 -3.46 0.01 -1.26 -4.96 114.94 103.77 1inz s ASN 30 Ca 0.27 0.39 -0.05 0.00 -0.71 0.00 0.00 52.86 52.76 1inz s ASN 30 Cb -0.00 -0.48 -0.03 0.00 0.41 0.00 0.00 41.25 41.15 1inz s ASN 30 CO -0.01 -3.54 0.22 -1.81 -1.51 0.00 0.00 177.10 170.45 1inz s ASP 31 N -4.44 0.09 0.68 -1.22 1.11 -1.26 -4.92 116.67 106.72 1inz s ASP 31 Ca 0.73 -1.22 0.00 0.00 0.18 0.00 0.00 52.55 52.25 1inz s ASP 31 Cb -0.06 0.43 0.00 0.00 1.07 0.00 0.00 42.92 44.36 1inz s ASP 31 CO 0.55 -0.91 0.00 -2.65 1.18 0.00 0.00 175.17 173.33 1inz n PRO 32 N -0.28 -0.96 -0.37 8.23 -0.02 -1.26 -4.73 135.00 135.61 1inz n PRO 32 Ca -0.00 0.00 0.29 0.00 -2.02 0.00 0.00 63.50 61.77 1inz n PRO 32 Cb 0.65 0.00 0.55 0.00 -0.02 0.00 0.00 33.50 34.68 1inz n PRO 32 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1inz h TRP 33 N -1.62 0.75 0.00 6.00 2.91 -2.03 -3.43 115.95 118.53 1inz h TRP 33 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 1inz h TRP 33 Cb 0.00 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 28.46 1inz h TRP 33 CO 0.00 -0.19 0.00 0.41 -1.03 0.00 0.00 178.44 177.63 1inz n GLY 34 N -1.39 0.20 0.34 2.65 0.00 -1.26 -5.07 105.19 100.66 1inz n GLY 34 Ca 0.33 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 1inz n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1inz h PRO 35 N 0.00 -0.78 0.00 1.61 0.13 -1.97 -3.48 132.00 127.51 1inz h PRO 35 Ca 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1inz h PRO 35 Cb 0.00 0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.31 1inz h PRO 35 CO 0.00 -0.47 0.00 -1.13 -0.23 0.00 0.00 178.00 176.17 1inz n SER 36 N -5.37 0.00 0.00 1.44 3.41 -1.26 -5.08 113.62 106.76 1inz n SER 36 Ca -0.12 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1inz n SER 36 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1inz n SER 36 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1inz n SER 37 N -1.43 4.43 -4.53 4.04 7.64 -1.26 -4.94 113.62 117.58 1inz n SER 37 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 1inz n SER 37 Cb 0.00 0.26 -0.16 0.00 -1.01 0.00 0.00 64.21 63.30 1inz n SER 37 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1inz n SER 38 N -2.21 0.03 0.00 6.43 3.41 -1.26 -4.19 113.62 115.83 1inz n SER 38 Ca 0.00 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1inz n SER 38 Cb 0.49 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 1inz n SER 38 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1inz n LEU 39 N 11.35 0.00 -0.05 1.04 -0.00 -1.26 -4.81 117.00 123.27 1inz n LEU 39 Ca 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.59 1inz n LEU 39 Cb 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.68 1inz n LEU 39 CO 0.86 0.00 -0.07 -0.03 -0.00 0.00 0.00 177.39 178.15 1inz h MET 40 N 0.00 0.00 -0.05 1.96 4.05 -1.92 -3.03 114.93 115.94 1inz h MET 40 Ca 0.00 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1inz h MET 40 Cb 0.00 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1inz h MET 40 CO 0.00 0.00 0.17 1.03 0.23 0.00 0.00 176.91 178.34 1inz h SER 41 N -0.99 0.00 0.10 1.39 0.87 -1.92 -2.50 113.55 110.50 1inz h SER 41 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1inz h SER 41 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1inz h SER 41 CO 0.00 0.00 -0.05 -0.08 -0.53 0.00 0.00 176.83 176.17 1inz h GLU 42 N 0.00 -0.13 -1.04 2.24 4.81 -1.87 -2.79 114.58 115.80 1inz h GLU 42 Ca 0.02 0.01 0.26 0.00 -0.13 0.00 0.00 59.36 59.52 1inz h GLU 42 Cb 0.35 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.67 1inz h GLU 42 CO -0.00 0.26 0.66 0.82 -0.73 0.00 0.00 179.01 180.02 1inz h ILE 43 N -0.96 0.53 0.32 2.32 2.04 -1.32 -0.80 117.51 119.63 1inz h ILE 43 Ca -0.01 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1inz h ILE 43 Cb 0.45 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1inz h ILE 43 CO 0.02 0.07 -0.15 0.00 0.00 0.00 0.00 178.15 178.10 1inz h ALA 44 N 1.63 -0.42 -0.34 1.87 0.00 -1.57 -2.15 119.26 118.26 1inz h ALA 44 Ca 0.60 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.42 1inz h ALA 44 Cb 1.48 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1inz h ALA 44 CO -0.31 -0.55 0.57 -0.44 0.00 0.00 0.00 179.25 178.53 1inz h ASP 45 N -0.80 0.00 0.20 0.00 3.32 -0.90 0.44 116.42 118.67 1inz h ASP 45 Ca -0.04 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.69 1inz h ASP 45 Cb 0.52 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.10 1inz h ASP 45 CO 0.07 0.00 -1.34 -0.07 -1.72 0.00 0.00 179.24 176.18 1inz h LEU 46 N 0.00 0.84 -1.03 1.55 3.38 -0.81 -3.25 115.31 115.99 1inz h LEU 46 Ca 0.16 -0.88 0.27 0.00 0.09 0.00 0.00 57.88 57.52 1inz h LEU 46 Cb 1.30 -0.27 -0.13 0.00 0.09 0.00 0.00 40.66 41.65 1inz h LEU 46 CO -0.00 1.66 0.60 0.71 0.09 0.00 0.00 178.44 181.49 1inz h THR 47 N 0.16 0.47 -0.69 0.22 1.35 0.51 0.27 112.91 115.21 1inz h THR 47 Ca -0.22 -0.17 0.14 0.00 -0.55 0.00 0.00 66.41 65.60 1inz h THR 47 Cb 2.04 -0.07 -0.13 0.00 -1.73 0.00 0.00 68.15 68.25 1inz h THR 47 CO 0.25 0.09 -0.19 1.88 -0.25 0.00 0.00 175.52 177.31 1inz h TYR 48 N 0.50 -0.41 -0.81 4.73 0.05 -1.58 -3.28 116.97 116.17 1inz h TYR 48 Ca 0.67 0.06 -0.27 0.00 0.05 0.00 0.00 58.73 59.24 1inz h TYR 48 Cb 1.37 0.29 -0.04 0.00 1.01 0.00 0.00 36.73 39.36 1inz h TYR 48 CO -0.01 -0.31 0.71 -0.80 -1.05 0.00 0.00 178.16 176.70 1inz s ASN 49 N -5.23 4.95 0.00 3.88 0.01 0.95 -4.82 114.94 114.68 1inz s ASN 49 Ca -0.14 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 51.57 1inz s ASN 49 Cb 0.20 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.31 1inz s ASN 49 CO 0.74 -2.88 0.00 1.33 -1.51 0.00 0.00 177.10 174.78 1inz n VAL 50 N 7.95 0.00 0.15 1.60 0.24 -1.24 0.84 118.33 127.88 1inz n VAL 50 Ca 0.39 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.63 1inz n VAL 50 Cb 0.47 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.81 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 -0.88 3.34 2.07 -1.87 -3.12 116.25 115.79 1inz h VAL 51 Ca 0.00 -0.09 0.36 0.00 0.82 0.00 0.00 66.70 67.79 1inz h VAL 51 Cb 0.00 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.61 1inz h VAL 51 CO 0.00 0.00 0.44 0.00 0.02 0.00 0.00 177.57 178.03 1inz n ALA 52 N -2.26 0.87 0.21 1.67 0.00 0.25 0.54 120.51 121.79 1inz n ALA 52 Ca -0.05 0.90 -0.15 0.00 0.00 0.00 0.00 53.44 54.14 1inz n ALA 52 Cb 0.15 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.54 -0.60 0.00 3.57 -1.42 0.69 116.94 118.65 1inz h PHE 53 Ca 0.73 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 62.33 1inz h PHE 53 Cb 1.92 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 40.81 1inz h PHE 53 CO -0.04 -0.32 0.40 1.03 -2.23 0.00 0.00 178.31 177.15 1inz h SER 54 N -0.52 0.32 0.99 0.41 0.87 0.15 0.16 113.55 115.93 1inz h SER 54 Ca -0.04 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.42 1inz h SER 54 Cb 0.43 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1inz h SER 54 CO 0.04 0.19 -0.55 -0.33 -0.53 0.00 0.00 176.83 175.65 1inz h GLU 55 N 0.35 0.00 0.00 2.24 4.39 -0.68 -2.62 114.58 118.26 1inz h GLU 55 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1inz h GLU 55 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1inz h GLU 55 CO -0.07 0.55 0.00 -0.89 -1.16 0.00 0.00 179.01 177.44 1inz n ILE 56 N -3.47 0.00 -0.36 3.13 5.41 0.44 -3.12 119.36 121.39 1inz n ILE 56 Ca 0.00 0.51 0.27 0.00 1.00 0.00 0.00 62.75 64.54 1inz n ILE 56 Cb 0.65 -1.50 0.55 0.00 -0.71 0.00 0.00 39.64 38.64 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 0.28 0.40 0.38 2.86 -1.39 -0.70 114.93 116.75 1inz h MET 57 Ca 0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1inz h MET 57 Cb 0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1inz h MET 57 CO 0.00 0.18 -0.39 0.77 1.06 0.00 0.00 176.91 178.54 1inz h SER 58 N 0.29 -1.05 -0.01 1.22 0.02 -1.58 0.77 113.55 113.20 1inz h SER 58 Ca 0.67 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.71 1inz h SER 58 Cb 1.86 0.35 -0.00 0.00 0.14 0.00 0.00 62.40 64.74 1inz h SER 58 CO -0.35 -0.51 0.03 0.24 -1.14 0.00 0.00 176.83 175.10 1inz h MET 59 N -0.78 0.00 0.00 3.45 2.07 -1.12 0.06 114.93 118.61 1inz h MET 59 Ca -0.05 0.00 -0.17 0.00 -2.07 0.00 0.00 59.70 57.41 1inz h MET 59 Cb 0.67 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.38 1inz h MET 59 CO -0.04 0.00 -0.81 0.82 1.07 0.00 0.00 176.91 177.95 1inz h ILE 60 N 0.00 1.57 0.00 -1.22 2.04 0.08 -3.07 117.51 116.91 1inz h ILE 60 Ca 0.00 -2.74 -0.09 0.00 1.00 0.00 0.00 64.86 63.03 1inz h ILE 60 Cb 0.07 2.49 0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1inz h ILE 60 CO -0.00 0.79 -0.35 -0.50 0.00 0.00 0.00 178.15 178.08 1inz h TRP 61 N 0.01 0.34 -0.39 1.37 -0.00 0.11 -2.35 115.95 115.04 1inz h TRP 61 Ca -0.01 -0.19 0.05 0.00 -0.00 0.00 0.00 58.89 58.74 1inz h TRP 61 Cb 1.43 -0.04 -0.05 0.00 -0.00 0.00 0.00 29.16 30.51 1inz h TRP 61 CO 0.00 1.01 0.11 0.87 -0.00 0.00 0.00 178.44 180.43 1inz h LYS 62 N -0.42 0.25 0.00 0.49 6.56 -1.57 0.08 116.57 121.96 1inz h LYS 62 Ca -0.05 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1inz h LYS 62 Cb 1.11 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 1inz h LYS 62 CO 0.07 0.16 0.00 0.54 -2.06 0.00 0.00 179.45 178.16 1inz n ARG 63 N -5.05 0.04 0.14 3.15 5.12 -1.16 -2.80 116.66 116.10 1inz n ARG 63 Ca 0.02 0.14 0.12 0.00 -1.93 0.00 0.00 57.85 56.21 1inz n ARG 63 Cb 0.16 -1.56 0.20 0.00 -1.16 0.00 0.00 32.46 30.10 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 -4.06 0.55 3.38 -0.42 -2.97 115.31 111.80 1inz h LEU 64 Ca 0.00 -0.04 -0.62 0.00 0.09 0.00 0.00 57.88 57.31 1inz h LEU 64 Cb 0.43 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.82 1inz h LEU 64 CO 0.00 0.02 -0.03 0.59 0.09 0.00 0.00 178.44 179.11 1inz n ASN 65 N -2.61 6.12 -3.11 -0.43 3.02 -0.98 -4.80 115.26 112.47 1inz n ASN 65 Ca 0.03 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 1inz n ASN 65 Cb 0.49 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1inz n ASN 65 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1inz n ASP 66 N -0.74 -0.98 -0.97 6.41 9.92 -1.25 -5.06 116.55 123.90 1inz n ASP 66 Ca 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.77 1inz n ASP 66 Cb 0.75 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.23 1inz n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1inz n HIS 67 N -2.10 -0.84 0.00 1.24 1.44 -1.26 -5.02 115.22 108.69 1inz n HIS 67 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1inz n HIS 67 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 0.00 2.56 2.60 -1.39 0.00 -1.26 -2.12 105.19 105.58 1inz n GLY 68 Ca 0.00 0.27 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 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 14.00 2.73 -0.99 1.61 4.81 -1.26 -4.76 118.16 134.31 1inz n LYS 69 Ca 0.00 -4.70 0.03 0.00 -0.87 0.00 0.00 58.31 52.77 1inz n LYS 69 Cb 0.00 -2.22 0.02 0.00 0.02 0.00 0.00 35.03 32.85 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 0.46 0.66 0.30 3.14 4.13 -0.90 -4.85 115.26 118.21 1inz n ASN 70 Ca 0.30 -2.13 0.16 0.00 1.68 0.00 0.00 54.58 54.59 1inz n ASN 70 Cb 0.41 -0.27 0.83 0.00 -1.54 0.00 0.00 39.78 39.21 1inz n ASN 70 CO 0.00 0.00 0.00 4.11 0.28 0.00 0.00 177.26 181.65 1inz h TRP 71 N 0.54 0.00 -0.97 3.10 5.08 -1.86 -2.12 115.95 119.72 1inz h TRP 71 Ca -0.11 0.00 0.23 0.00 1.08 0.00 0.00 58.89 60.08 1inz h TRP 71 Cb 1.62 0.00 -0.12 0.00 -3.00 0.00 0.00 29.16 27.65 1inz h TRP 71 CO 0.17 0.00 0.54 0.00 -1.28 0.00 0.00 178.44 177.86 1inz h ARG 72 N 0.00 0.54 -0.11 0.12 3.08 -1.97 -0.49 114.38 115.55 1inz h ARG 72 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1inz h ARG 72 Cb 0.47 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1inz h ARG 72 CO 0.00 0.36 -0.04 0.45 -1.07 0.00 0.00 179.97 179.66 1inz h HIS 73 N 0.56 0.25 -0.60 3.04 3.86 -1.64 -3.02 115.15 117.60 1inz h HIS 73 Ca 0.61 -0.06 0.11 0.00 -1.16 0.00 0.00 60.37 59.87 1inz h HIS 73 Cb 1.12 -0.06 -0.12 0.00 1.06 0.00 0.00 27.41 29.41 1inz h HIS 73 CO -0.04 0.56 -0.26 0.28 0.86 0.00 0.00 177.93 179.32 1inz h VAL 74 N -0.12 0.24 -0.33 2.45 2.07 -0.92 0.38 116.25 120.02 1inz h VAL 74 Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.60 1inz h VAL 74 Cb 0.48 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 1inz h VAL 74 CO 0.01 0.00 0.00 0.22 0.02 0.00 0.00 177.57 177.83 1inz h TYR 75 N -0.11 -0.01 0.00 1.57 3.20 -1.44 0.95 116.97 121.13 1inz h TYR 75 Ca 0.26 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 1inz h TYR 75 Cb 0.53 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 1inz h TYR 75 CO -0.59 -0.06 -0.03 0.87 -1.64 0.00 0.00 178.16 176.72 1inz h LYS 76 N 0.10 0.00 0.00 1.82 1.57 -0.91 -0.71 116.57 118.44 1inz h LYS 76 Ca 0.16 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1inz h LYS 76 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1inz h LYS 76 CO -0.26 0.03 -0.40 0.00 -0.57 0.00 0.00 179.45 178.25 1inz h ALA 77 N 1.97 0.74 -0.11 3.86 0.00 0.11 -3.03 119.26 122.81 1inz h ALA 77 Ca -0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 1inz h ALA 77 Cb 0.12 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1inz h ALA 77 CO 0.00 0.49 -0.80 0.52 0.00 0.00 0.00 179.25 179.46 1inz h MET 78 N 0.00 0.67 -0.10 0.00 2.86 -0.33 -2.29 114.93 115.73 1inz h MET 78 Ca -0.00 -0.57 -0.16 0.00 -2.06 0.00 0.00 59.70 56.91 1inz h MET 78 Cb 1.30 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 33.08 1inz h MET 78 CO 0.05 1.18 -0.62 0.00 1.06 0.00 0.00 176.91 178.59 1inz h THR 79 N 0.45 1.37 0.47 2.22 1.03 -1.58 -1.08 112.91 115.79 1inz h THR 79 Ca -0.06 -1.96 -0.02 0.00 -0.01 0.00 0.00 66.41 64.36 1inz h THR 79 Cb 1.42 1.96 0.00 0.00 -1.07 0.00 0.00 68.15 70.47 1inz h THR 79 CO 0.16 0.59 -0.23 0.25 -0.01 0.00 0.00 175.52 176.28 1inz h LEU 80 N 0.27 -0.54 -1.77 0.00 5.85 -1.53 0.29 115.31 117.89 1inz h LEU 80 Ca -0.01 0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.90 1inz h LEU 80 Cb 1.15 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.28 1inz h LEU 80 CO 0.10 -0.22 0.50 -0.03 -0.34 0.00 0.00 178.44 178.45 1inz h MET 81 N -0.97 0.21 -0.06 1.25 4.05 -1.49 0.27 114.93 118.19 1inz h MET 81 Ca -0.06 -0.01 -0.16 0.00 -0.28 0.00 0.00 59.70 59.19 1inz h MET 81 Cb 0.49 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 1inz h MET 81 CO 0.11 0.14 -0.66 1.49 0.23 0.00 0.00 176.91 178.22 1inz h GLU 82 N 0.22 0.24 -0.29 0.39 4.81 -1.09 -2.60 114.58 116.26 1inz h GLU 82 Ca 0.35 -0.18 -0.17 0.00 -0.13 0.00 0.00 59.36 59.23 1inz h GLU 82 Cb 1.07 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1inz h GLU 82 CO -0.07 0.81 -0.50 -0.92 -0.73 0.00 0.00 179.01 177.60 1inz h TYR 83 N 0.17 1.00 -0.10 0.92 5.03 0.17 -3.07 116.97 121.09 1inz h TYR 83 Ca -0.01 -0.34 -0.13 0.00 2.58 0.00 0.00 58.73 60.83 1inz h TYR 83 Cb 1.18 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 39.26 1inz h TYR 83 CO 0.02 1.14 -0.51 -0.07 -1.32 0.00 0.00 178.16 177.42 1inz h LEU 84 N 0.63 0.30 -2.16 2.82 3.38 -1.26 -2.62 115.31 116.40 1inz h LEU 84 Ca 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1inz h LEU 84 Cb 1.08 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1inz h LEU 84 CO 0.11 0.76 -0.06 0.40 0.09 0.00 0.00 178.44 179.74 1inz h ILE 85 N 0.22 0.67 0.00 1.22 2.04 -1.37 0.69 117.51 120.98 1inz h ILE 85 Ca 0.01 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1inz h ILE 85 Cb 0.98 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1inz h ILE 85 CO 0.08 0.05 0.00 1.17 0.00 0.00 0.00 178.15 179.46 1inz n LYS 86 N -3.94 0.00 0.02 2.37 4.81 -1.02 -4.68 118.16 115.73 1inz n LYS 86 Ca -0.03 0.28 0.05 0.00 -0.87 0.00 0.00 58.31 57.74 1inz n LYS 86 Cb 0.15 -0.77 -0.09 0.00 0.02 0.00 0.00 35.03 34.33 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 -2.12 0.72 0.00 3.15 5.66 -1.02 -4.62 114.28 116.06 1inz n THR 87 Ca 0.00 -0.62 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 1inz n THR 87 Cb 0.00 -0.39 0.00 0.00 -1.55 0.00 0.00 70.33 68.39 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 1.34 -2.18 3.63 1.09 0.00 0.23 -4.76 105.19 104.55 1inz n GLY 88 Ca -0.08 0.34 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 1inz n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1inz s SER 89 N -2.78 -0.06 0.65 1.61 1.04 -0.72 -4.13 113.70 109.30 1inz s SER 89 Ca 0.00 0.02 0.32 0.00 0.48 0.00 0.00 55.95 56.77 1inz s SER 89 Cb 0.00 0.06 1.75 0.00 0.10 0.00 0.00 66.02 67.92 1inz s SER 89 CO 0.00 -0.08 2.02 -0.33 0.98 0.00 0.00 173.24 175.83 1inz h GLU 90 N 2.03 0.00 -0.17 4.02 3.07 -1.89 -0.72 114.58 120.93 1inz h GLU 90 Ca -0.06 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.71 1inz h GLU 90 Cb 1.16 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1inz h GLU 90 CO 0.21 0.00 -0.25 0.00 -1.40 0.00 0.00 179.01 177.57 1inz h ARG 91 N 0.00 0.47 -0.96 2.33 3.08 -1.94 -2.57 114.38 114.79 1inz h ARG 91 Ca 0.04 -0.28 0.16 0.00 0.07 0.00 0.00 59.98 59.96 1inz h ARG 91 Cb 0.60 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.59 1inz h ARG 91 CO -0.00 0.87 0.60 0.28 -1.07 0.00 0.00 179.97 180.66 1inz h VAL 92 N 0.11 0.81 -0.29 2.04 2.07 -1.43 -0.61 116.25 118.94 1inz h VAL 92 Ca 0.02 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.11 1inz h VAL 92 Cb 0.83 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1inz h VAL 92 CO 0.06 0.14 -0.44 0.28 0.02 0.00 0.00 177.57 177.63 1inz h SER 93 N 0.77 0.89 0.28 0.57 0.02 -1.54 -2.63 113.55 111.90 1inz h SER 93 Ca 0.50 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1inz h SER 93 Cb 0.75 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1inz h SER 93 CO -0.26 1.23 -0.26 1.56 -1.14 0.00 0.00 176.83 177.95 1inz h GLN 94 N 0.58 -0.55 -0.82 3.45 1.08 -0.73 -1.69 115.11 116.44 1inz h GLN 94 Ca 0.03 0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.37 1inz h GLN 94 Cb 1.04 0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 28.54 1inz h GLN 94 CO 0.10 -0.37 0.53 0.37 -0.95 0.00 0.00 178.83 178.52 1inz h GLN 95 N -0.57 0.72 -0.64 1.46 5.75 -1.39 0.34 115.11 120.79 1inz h GLN 95 Ca -0.01 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1inz h GLN 95 Cb 0.52 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 1inz h GLN 95 CO -0.05 0.47 0.41 0.00 -2.65 0.00 0.00 178.83 177.02 1inz h LYS 97 N 0.87 0.13 0.00 0.00 3.64 -0.26 -2.05 116.57 118.90 1inz h LYS 97 Ca 0.23 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1inz h LYS 97 Cb -0.09 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1inz h LYS 97 CO -0.05 0.85 -0.09 0.39 -2.27 0.00 0.00 179.45 178.28 1inz n GLU 98 N -3.69 0.27 -1.15 1.90 1.02 -0.59 -3.60 120.64 114.79 1inz n GLU 98 Ca -0.02 0.20 -0.02 0.00 -0.02 0.00 0.00 57.16 57.30 1inz n GLU 98 Cb 0.74 -1.79 0.14 0.00 -0.02 0.00 0.00 31.44 30.51 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 -2.24 2.40 0.26 1.62 3.02 0.62 -4.77 115.26 116.16 1inz n ASN 99 Ca 0.05 -3.57 0.17 0.00 -0.03 0.00 0.00 54.58 51.20 1inz n ASN 99 Cb 0.43 -0.46 0.90 0.00 -0.61 0.00 0.00 39.78 40.05 1inz n ASN 99 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1inz h MET 100 N 1.36 0.00 -0.08 3.52 4.05 -1.43 -0.30 114.93 122.05 1inz h MET 100 Ca 0.06 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.37 1inz h MET 100 Cb 1.24 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.03 1inz h MET 100 CO 0.20 0.00 -0.43 1.88 0.23 0.00 0.00 176.91 178.80 1inz h TYR 101 N 0.00 0.21 -0.05 1.39 0.05 -1.87 -1.40 116.97 115.29 1inz h TYR 101 Ca 0.04 -0.06 -0.25 0.00 0.05 0.00 0.00 58.73 58.51 1inz h TYR 101 Cb 0.26 -0.05 0.02 0.00 1.01 0.00 0.00 36.73 37.97 1inz h TYR 101 CO 0.00 0.58 -0.96 0.00 -1.05 0.00 0.00 178.16 176.74 1inz h ALA 102 N 1.41 0.19 -0.06 3.88 0.00 -1.44 -0.06 119.26 123.18 1inz h ALA 102 Ca 0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 1inz h ALA 102 Cb 0.82 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1inz h ALA 102 CO 0.06 0.68 -0.58 0.28 0.00 0.00 0.00 179.25 179.69 1inz h VAL 103 N 0.45 1.38 0.00 0.00 2.07 -1.43 -3.11 116.25 115.62 1inz h VAL 103 Ca -0.10 -1.94 -0.09 0.00 0.82 0.00 0.00 66.70 65.39 1inz h VAL 103 Cb 1.60 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 1inz h VAL 103 CO 0.19 0.57 -0.87 1.56 0.02 0.00 0.00 177.57 179.04 1inz h GLN 104 N 0.16 0.00 -0.49 1.57 4.20 -1.27 -3.31 115.11 115.96 1inz h GLN 104 Ca -0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.85 1inz h GLN 104 Cb 1.07 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.83 1inz h GLN 104 CO 0.09 0.23 0.54 0.00 -0.67 0.00 0.00 178.83 179.02 1inz h THR 105 N 0.00 0.32 -0.55 -0.54 1.03 -0.92 0.70 112.91 112.96 1inz h THR 105 Ca -0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.32 1inz h THR 105 Cb 1.31 0.57 -0.03 0.00 -1.07 0.00 0.00 68.15 68.93 1inz h THR 105 CO 0.03 0.00 0.27 -0.07 -0.01 0.00 0.00 175.52 175.74 1inz h LEU 106 N 0.00 0.73 -1.35 0.00 3.38 -1.71 -1.99 115.31 114.37 1inz h LEU 106 Ca 0.23 -0.13 0.39 0.00 0.09 0.00 0.00 57.88 58.46 1inz h LEU 106 Cb 1.31 -0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.75 1inz h LEU 106 CO -0.00 0.65 0.78 0.11 0.09 0.00 0.00 178.44 180.07 1inz h LYS 107 N 0.75 0.16 0.03 1.13 1.57 -1.08 0.60 116.57 119.73 1inz h LYS 107 Ca 0.19 -0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 58.68 1inz h LYS 107 Cb 0.12 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1inz h LYS 107 CO -0.02 0.11 -1.55 0.22 -0.57 0.00 0.00 179.45 177.63 1inz h ASP 108 N 0.17 0.10 -0.50 0.86 1.82 -1.55 -3.45 116.42 113.87 1inz h ASP 108 Ca 0.76 -0.17 -0.42 0.00 -0.39 0.00 0.00 57.03 56.81 1inz h ASP 108 Cb 2.25 -0.03 -0.06 0.00 0.68 0.00 0.00 39.33 42.17 1inz h ASP 108 CO -0.42 1.15 1.61 0.33 -1.61 0.00 0.00 179.24 180.30 1inz n PHE 109 N -3.22 0.79 -4.03 0.28 7.35 0.21 -4.86 117.46 113.99 1inz n PHE 109 Ca -0.14 0.21 -0.10 0.00 -0.76 0.00 0.00 57.45 56.66 1inz n PHE 109 Cb 1.03 -2.20 -0.11 0.00 0.35 0.00 0.00 39.48 38.54 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 8.50 0.43 -0.27 -4.13 1.03 -1.26 -4.88 119.66 119.07 1inz s GLN 110 Ca 1.21 -0.76 0.00 0.00 0.04 0.00 0.00 55.36 55.85 1inz s GLN 110 Cb -0.78 -0.01 0.16 0.00 0.03 0.00 0.00 33.01 32.41 1inz s GLN 110 CO 0.40 -0.03 0.45 -0.47 -2.54 0.00 0.00 175.29 173.10 1inz s TYR 111 N -1.84 -1.13 -0.36 9.60 6.14 -1.26 -5.04 117.35 123.46 1inz s TYR 111 Ca -0.10 0.82 0.13 0.00 0.64 0.00 0.00 57.07 58.56 1inz s TYR 111 Cb -0.07 0.08 0.37 0.00 0.42 0.00 0.00 41.96 42.76 1inz s TYR 111 CO -0.02 -0.88 0.78 0.28 0.64 0.00 0.00 175.55 176.35 1inz n VAL 112 N 5.38 0.09 -0.05 3.14 0.31 -1.26 -4.86 118.33 121.08 1inz n VAL 112 Ca -0.01 -4.29 -0.21 0.00 -0.01 0.00 0.00 64.34 59.82 1inz n VAL 112 Cb 0.50 -0.09 -0.13 0.00 -0.91 0.00 0.00 33.84 33.22 1inz n VAL 112 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1inz n ASP 113 N 0.21 2.05 -0.14 4.52 -0.08 -1.26 -3.90 116.55 117.95 1inz n ASP 113 Ca 0.22 0.19 -0.27 0.00 -1.51 0.00 0.00 54.79 53.42 1inz n ASP 113 Cb 0.69 -0.80 -0.11 0.00 2.34 0.00 0.00 41.12 43.25 1inz n ASP 113 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1inz n ARG 114 N -3.66 0.61 0.27 -0.67 1.85 -1.26 -4.37 116.66 109.42 1inz n ARG 114 Ca -0.36 0.23 0.10 0.00 -1.00 0.00 0.00 57.85 56.82 1inz n ARG 114 Cb 0.96 -1.50 0.71 0.00 -1.05 0.00 0.00 32.46 31.58 1inz n ARG 114 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1inz h ASP 115 N -0.72 0.00 -3.16 2.89 3.32 -1.90 -3.45 116.42 113.41 1inz h ASP 115 Ca -0.67 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.08 1inz h ASP 115 Cb 1.70 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.21 1inz h ASP 115 CO -0.33 0.03 -0.36 0.61 -1.72 0.00 0.00 179.24 177.47 1inz n GLY 116 N -1.36 -0.13 3.15 2.75 0.00 -1.25 -4.89 105.19 103.45 1inz n GLY 116 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.03 1inz n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1inz s LYS 117 N -4.69 0.54 -0.25 1.61 -0.14 -1.26 -5.08 119.74 110.47 1inz s LYS 117 Ca 0.00 0.65 -0.36 0.00 -1.36 0.00 0.00 55.97 54.90 1inz s LYS 117 Cb 0.00 0.32 -0.12 0.00 -1.68 0.00 0.00 37.83 36.35 1inz s LYS 117 CO 0.00 -0.89 1.98 -0.25 -0.76 0.00 0.00 175.35 175.43 1inz n ASP 118 N 5.41 2.65 0.00 2.83 8.00 -1.26 -4.77 116.55 129.41 1inz n ASP 118 Ca 0.03 0.76 0.00 0.00 0.71 0.00 0.00 54.79 56.29 1inz n ASP 118 Cb 0.53 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.36 1inz n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1inz n GLN 119 N 7.00 4.65 -1.45 -1.24 10.64 -1.26 -4.72 117.38 131.00 1inz n GLN 119 Ca 0.31 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 55.19 1inz n GLN 119 Cb 0.23 -0.60 0.00 0.00 -0.86 0.00 0.00 30.24 29.01 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 1.31 4.77 0.15 2.61 0.00 -1.26 -4.49 105.19 108.28 1inz n GLY 120 Ca 0.00 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.87 1inz n GLY 120 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1inz h VAL 121 N 1.67 1.34 -1.59 1.61 3.04 -1.96 -3.29 116.25 117.08 1inz h VAL 121 Ca 0.44 -2.54 0.46 0.00 -1.01 0.00 0.00 66.70 64.06 1inz h VAL 121 Cb 0.61 2.94 -0.07 0.00 -2.01 0.00 0.00 31.29 32.76 1inz h VAL 121 CO 1.08 0.75 1.14 -3.20 -1.01 0.00 0.00 177.57 176.33 1inz n ASN 122 N -3.87 0.01 -0.01 3.17 5.15 -1.26 0.14 115.26 118.59 1inz n ASN 122 Ca -0.15 0.82 -0.04 0.00 -0.60 0.00 0.00 54.58 54.62 1inz n ASN 122 Cb 0.97 -0.41 -0.03 0.00 -0.53 0.00 0.00 39.78 39.79 1inz n ASN 122 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1inz h VAL 123 N 0.00 0.27 -0.92 3.44 2.07 -1.93 -2.58 116.25 116.60 1inz h VAL 123 Ca 0.76 -1.10 0.23 0.00 0.82 0.00 0.00 66.70 67.42 1inz h VAL 123 Cb 3.04 0.49 -0.17 0.00 -1.52 0.00 0.00 31.29 33.13 1inz h VAL 123 CO -0.03 0.09 -0.01 0.03 0.02 0.00 0.00 177.57 177.66 1inz h ARG 124 N -1.01 0.04 -0.03 1.57 3.08 -0.45 -1.03 114.38 116.53 1inz h ARG 124 Ca -0.01 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1inz h ARG 124 Cb 0.22 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1inz h ARG 124 CO 0.02 0.03 -0.09 0.93 -1.07 0.00 0.00 179.97 179.78 1inz h GLU 125 N 0.04 0.12 -0.18 0.04 5.08 -1.58 -3.04 114.58 115.06 1inz h GLU 125 Ca 0.53 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.86 1inz h GLU 125 Cb 1.02 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.22 1inz h GLU 125 CO -0.86 0.70 -0.25 -0.22 -1.00 0.00 0.00 179.01 177.38 1inz h LYS 126 N -0.44 -0.29 -0.81 2.33 3.11 -0.80 -0.96 116.57 118.72 1inz h LYS 126 Ca -0.00 0.02 0.14 0.00 -2.81 0.00 0.00 60.65 58.00 1inz h LYS 126 Cb 0.71 0.06 -0.09 0.00 -1.00 0.00 0.00 32.23 31.91 1inz h LYS 126 CO 0.02 -0.19 0.39 0.00 -2.81 0.00 0.00 179.45 176.86 1inz h ALA 127 N 0.67 1.18 -0.83 5.00 0.00 -1.36 0.84 119.26 124.76 1inz h ALA 127 Ca 0.11 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1inz h ALA 127 Cb 0.47 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1inz h ALA 127 CO -0.35 -0.12 0.54 -0.22 0.00 0.00 0.00 179.25 179.10 1inz h LYS 128 N 0.56 0.67 0.16 0.00 3.11 -1.06 -1.92 116.57 118.09 1inz h LYS 128 Ca 0.44 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 58.23 1inz h LYS 128 Cb 0.62 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 1inz h LYS 128 CO -0.37 0.44 -0.08 0.37 -2.81 0.00 0.00 179.45 177.01 1inz h GLN 129 N 0.69 -0.21 -0.72 1.90 4.15 -0.48 -2.26 115.11 118.17 1inz h GLN 129 Ca 0.40 0.01 0.21 0.00 0.77 0.00 0.00 58.65 60.04 1inz h GLN 129 Cb 0.59 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.30 1inz h GLN 129 CO -0.16 0.06 0.81 1.25 -1.93 0.00 0.00 178.83 178.86 1inz h LEU 130 N -1.00 0.00 0.11 -2.39 5.85 -1.12 0.51 115.31 117.26 1inz h LEU 130 Ca -0.02 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.37 1inz h LEU 130 Cb 0.37 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1inz h LEU 130 CO 0.04 0.00 -1.69 0.58 -0.34 0.00 0.00 178.44 177.02 1inz h VAL 131 N 0.00 0.96 0.74 1.05 2.07 -1.35 -3.27 116.25 116.46 1inz h VAL 131 Ca 0.34 -2.64 -0.04 0.00 0.82 0.00 0.00 66.70 65.19 1inz h VAL 131 Cb 1.97 2.65 0.01 0.00 -1.52 0.00 0.00 31.29 34.40 1inz h VAL 131 CO -0.00 0.80 -0.36 0.00 0.02 0.00 0.00 177.57 178.03 1inz h ALA 132 N 0.42 -1.03 -0.76 1.67 0.00 0.61 -2.54 119.26 117.63 1inz h ALA 132 Ca -0.30 -0.22 0.22 0.00 0.00 0.00 0.00 54.91 54.61 1inz h ALA 132 Cb 2.03 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 20.18 1inz h ALA 132 CO 0.14 -0.96 0.62 -0.07 0.00 0.00 0.00 179.25 178.97 1inz h LEU 133 N -1.22 0.00 0.51 0.00 4.07 -1.57 -1.74 115.31 115.36 1inz h LEU 133 Ca -0.10 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.83 1inz h LEU 133 Cb 0.76 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.51 1inz h LEU 133 CO 0.17 0.00 -0.25 -0.07 -1.08 0.00 0.00 178.44 177.21 1inz h LEU 134 N 0.00 -0.58 -8.17 1.67 -0.00 -1.54 -3.38 115.31 103.30 1inz h LEU 134 Ca 0.36 -0.06 -0.63 0.00 -0.00 0.00 0.00 57.88 57.55 1inz h LEU 134 Cb 1.59 0.15 -0.14 0.00 -0.00 0.00 0.00 40.66 42.26 1inz h LEU 134 CO -0.00 -0.20 0.81 -0.13 -0.00 0.00 0.00 178.44 178.92 1inz s ARG 135 N -4.49 3.31 0.01 1.13 0.52 -0.65 -4.77 118.95 114.01 1inz s ARG 135 Ca -0.13 -1.04 -0.00 0.00 -0.52 0.00 0.00 55.73 54.03 1inz s ARG 135 Cb 0.02 -4.55 -0.00 0.00 0.52 0.00 0.00 34.95 30.93 1inz s ARG 135 CO 0.45 -1.90 -0.01 -3.47 0.02 0.00 0.00 175.30 170.39 1inz n ASP 136 N 7.77 0.23 -2.95 0.23 2.03 -1.26 -4.88 116.55 117.72 1inz n ASP 136 Ca 0.09 0.03 -0.01 0.00 0.52 0.00 0.00 54.79 55.43 1inz n ASP 136 Cb 0.48 -0.13 -0.00 0.00 -0.72 0.00 0.00 41.12 40.74 1inz n ASP 136 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1inz n GLU 137 N -2.71 -2.00 -3.64 -0.67 4.71 -1.26 -5.03 120.64 110.04 1inz n GLU 137 Ca -0.00 1.83 -0.08 0.00 -0.01 0.00 0.00 57.16 58.90 1inz n GLU 137 Cb 0.01 -2.97 -0.07 0.00 -1.01 0.00 0.00 31.44 27.40 1inz n GLU 137 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1inz s ASP 138 N -1.08 -0.41 0.11 1.62 -1.08 -1.26 -5.14 116.67 109.43 1inz s ASP 138 Ca -0.03 0.79 -0.30 0.00 -0.52 0.00 0.00 52.55 52.49 1inz s ASP 138 Cb 0.00 0.81 -0.07 0.00 -1.46 0.00 0.00 42.92 42.21 1inz s ASP 138 CO 0.37 -0.14 1.21 -0.13 0.52 0.00 0.00 175.17 177.00 1inz s ARG 139 N 0.23 4.45 0.10 4.34 1.81 -1.26 -4.90 118.95 123.70 1inz s ARG 139 Ca 0.03 1.83 0.00 0.00 -1.72 0.00 0.00 55.73 55.87 1inz s ARG 139 Cb -0.05 -3.30 0.00 0.00 -0.45 0.00 0.00 34.95 31.15 1inz s ARG 139 CO -0.07 -0.21 0.00 1.28 -0.68 0.00 0.00 175.30 175.62 1inz n LEU 140 N 3.44 0.46 -3.55 2.53 4.77 -1.26 -4.99 117.00 118.40 1inz n LEU 140 Ca 0.08 0.15 -0.28 0.00 -0.03 0.00 0.00 56.01 55.92 1inz n LEU 140 Cb 0.45 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.36 1inz n LEU 140 CO 0.56 -0.52 -0.26 -0.13 -1.33 0.00 0.00 177.39 175.70 1inz s ARG 141 N -2.00 1.17 -0.05 3.23 0.52 -1.26 -5.11 118.95 115.45 1inz s ARG 141 Ca 0.00 -2.15 0.01 0.00 -0.52 0.00 0.00 55.73 53.06 1inz s ARG 141 Cb 0.00 -1.90 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 1inz s ARG 141 CO 0.00 -1.30 -0.04 -1.21 0.02 0.00 0.00 175.30 172.77 1inz s GLU 142 N 0.04 2.79 -0.23 3.54 2.02 -1.26 -5.01 118.70 120.59 1inz s GLU 142 Ca 0.26 -0.54 0.23 0.00 0.02 0.00 0.00 54.97 54.94 1inz s GLU 142 Cb -0.08 -2.65 0.49 0.00 0.10 0.00 0.00 34.13 32.00 1inz s GLU 142 CO -0.12 0.66 1.13 -0.85 0.02 0.00 0.00 175.26 176.11 1inz n GLU 143 N 1.98 1.50 0.00 1.61 0.00 -1.26 -5.25 120.64 119.22 1inz n GLU 143 Ca -0.17 -3.23 0.06 0.00 0.00 0.00 0.00 57.16 53.82 1inz n GLU 143 Cb 0.53 -1.33 0.05 0.00 0.00 0.00 0.00 31.44 30.69 1inz n GLU 143 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00