#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 0.00 -1.34 1.61 3.41 -1.26 -5.14 113.62 110.90 1inz n SER -2 Ca 0.00 -1.71 0.18 0.00 -0.26 0.00 0.00 58.87 57.08 1inz n SER -2 Cb 0.00 -0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 1inz n SER -2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1inz n SER -1 N 0.00 -7.89 -4.76 4.04 7.64 -1.26 -4.80 113.62 106.59 1inz n SER -1 Ca 0.00 0.63 -0.29 0.00 1.01 0.00 0.00 58.87 60.22 1inz n SER -1 Cb 0.64 -4.15 0.14 0.00 -1.01 0.00 0.00 64.21 59.83 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 -2.41 1.04 0.25 1.43 3.52 -1.26 -5.08 118.95 116.43 1inz s ARG 0 Ca 0.00 0.39 -0.09 0.00 -0.13 0.00 0.00 55.73 55.90 1inz s ARG 0 Cb 0.00 -1.82 -0.01 0.00 -1.56 0.00 0.00 34.95 31.56 1inz s ARG 0 CO 0.00 -2.29 0.39 0.00 -0.81 0.00 0.00 175.30 172.60 1inz s MET 1 N -5.18 1.50 -0.06 5.12 0.23 -1.26 -5.11 119.30 114.53 1inz s MET 1 Ca 0.64 -1.40 -0.30 0.00 -1.03 0.00 0.00 55.69 53.61 1inz s MET 1 Cb -0.16 0.42 -0.05 0.00 -1.53 0.00 0.00 34.83 33.51 1inz s MET 1 CO 0.55 -0.60 1.57 0.45 -2.03 0.00 0.00 175.02 174.96 1inz s SER 2 N -3.08 6.72 -0.37 -1.18 0.15 -1.26 -4.85 113.70 109.85 1inz s SER 2 Ca 0.27 2.15 0.12 0.00 0.70 0.00 0.00 55.95 59.19 1inz s SER 2 Cb 0.01 -2.54 0.41 0.00 -1.71 0.00 0.00 66.02 62.19 1inz s SER 2 CO 0.11 -0.88 1.37 1.07 1.20 0.00 0.00 173.24 176.11 1inz n THR 3 N 5.37 0.15 -3.55 6.45 5.66 -1.26 -5.13 114.28 121.97 1inz n THR 3 Ca 0.16 -1.54 -0.17 0.00 -3.05 0.00 0.00 64.05 59.45 1inz n THR 3 Cb 0.43 0.99 -0.06 0.00 -1.55 0.00 0.00 70.33 70.13 1inz n THR 3 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1inz s SER 4 N -1.47 -0.68 0.64 1.09 0.01 -1.26 -5.17 113.70 106.86 1inz s SER 4 Ca 0.19 0.91 -0.03 0.00 1.31 0.00 0.00 55.95 58.33 1inz s SER 4 Cb 0.42 0.78 0.05 0.00 0.21 0.00 0.00 66.02 67.48 1inz s SER 4 CO -0.09 -0.51 0.91 -0.44 0.41 0.00 0.00 173.24 173.52 1inz s SER 5 N -0.77 4.97 0.20 2.44 0.01 -1.26 -4.99 113.70 114.29 1inz s SER 5 Ca -0.08 0.18 -0.33 0.00 1.31 0.00 0.00 55.95 57.04 1inz s SER 5 Cb -0.01 -0.92 -0.14 0.00 0.21 0.00 0.00 66.02 65.16 1inz s SER 5 CO 0.07 -1.42 1.50 0.18 0.41 0.00 0.00 173.24 173.98 1inz n LEU 6 N -2.66 3.10 0.00 2.44 4.77 -1.26 -4.92 117.00 118.47 1inz n LEU 6 Ca 0.09 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.18 1inz n LEU 6 Cb 0.60 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 1inz n LEU 6 CO 0.48 -0.38 0.00 0.54 -1.33 0.00 0.00 177.39 176.70 1inz n ARG 7 N 2.75 0.00 0.00 3.23 5.12 -1.26 -4.94 116.66 121.55 1inz n ARG 7 Ca 0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 1inz n ARG 7 Cb 0.30 -0.47 0.00 0.00 -1.16 0.00 0.00 32.46 31.13 1inz n ARG 7 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1inz n ARG 8 N 0.00 1.54 -1.34 5.56 5.12 -1.26 -5.09 116.66 121.19 1inz n ARG 8 Ca 0.00 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.52 1inz n ARG 8 Cb 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.31 1inz n ARG 8 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1inz n GLN 9 N 0.00 0.20 0.00 5.56 1.13 -1.26 -4.93 117.38 118.08 1inz n GLN 9 Ca 0.00 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1inz n GLN 9 Cb 0.00 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.12 1inz n GLN 9 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1inz n MET 10 N 0.99 -1.28 -0.11 -1.09 0.00 -1.26 -5.04 117.12 109.33 1inz n MET 10 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.80 1inz n MET 10 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.66 1inz n MET 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1inz n LYS 11 N -1.62 0.59 -3.49 3.17 5.02 -1.26 -5.02 118.16 115.55 1inz n LYS 11 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1inz n LYS 11 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1inz n LYS 11 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1inz s ASN 12 N -1.00 5.90 0.26 4.39 3.84 -1.26 -5.07 114.94 121.99 1inz s ASN 12 Ca 0.00 -1.43 0.06 0.00 0.21 0.00 0.00 52.86 51.71 1inz s ASN 12 Cb 0.00 -2.09 -0.03 0.00 -0.55 0.00 0.00 41.25 38.58 1inz s ASN 12 CO 0.00 -0.60 0.28 -0.63 -2.79 0.00 0.00 177.10 173.36 1inz s ILE 13 N 1.53 4.64 -0.34 -5.21 -1.09 -1.26 -5.00 121.20 114.47 1inz s ILE 13 Ca 0.04 -1.24 -0.39 0.00 -2.23 0.00 0.00 60.65 56.83 1inz s ILE 13 Cb -0.24 -3.54 -0.15 0.00 -1.58 0.00 0.00 42.46 36.95 1inz s ILE 13 CO 0.04 -0.32 1.96 1.33 -1.23 0.00 0.00 174.94 176.72 1inz n VAL 14 N -1.30 0.22 -2.12 2.92 0.24 -1.26 -4.80 118.33 112.23 1inz n VAL 14 Ca -0.07 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.34 61.68 1inz n VAL 14 Cb 0.58 -1.26 0.00 0.00 -1.47 0.00 0.00 33.84 31.69 1inz n VAL 14 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1inz n HIS 15 N 7.27 3.62 -2.38 6.34 8.25 -1.26 -4.95 115.22 132.12 1inz n HIS 15 Ca 0.36 -2.93 -0.05 0.00 -0.26 0.00 0.00 57.72 54.84 1inz n HIS 15 Cb 0.14 -2.36 0.03 0.00 1.12 0.00 0.00 29.99 28.91 1inz n HIS 15 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1inz n ASN 16 N 5.71 0.31 -4.86 0.41 3.02 -1.26 -5.09 115.26 113.51 1inz n ASN 16 Ca 0.47 -1.26 -0.29 0.00 -0.03 0.00 0.00 54.58 53.47 1inz n ASN 16 Cb 0.39 -0.14 0.09 0.00 -0.61 0.00 0.00 39.78 39.52 1inz n ASN 16 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1inz s TYR 17 N -0.44 2.92 0.00 3.10 1.51 -1.26 -4.90 117.35 118.28 1inz s TYR 17 Ca 0.15 0.87 0.00 0.00 -1.01 0.00 0.00 57.07 57.07 1inz s TYR 17 Cb -0.01 -3.36 0.00 0.00 -0.11 0.00 0.00 41.96 38.48 1inz s TYR 17 CO 0.10 -1.79 0.00 0.45 -1.11 0.00 0.00 175.55 173.20 1inz n SER 18 N -3.37 0.00 -1.00 2.29 2.88 -1.26 -4.94 113.62 108.23 1inz n SER 18 Ca 0.07 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.50 1inz n SER 18 Cb 0.59 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.00 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 0.00 -1.60 -0.09 -1.46 1.02 -1.26 -4.82 120.64 112.42 1inz n GLU 19 Ca 0.00 0.85 -0.08 0.00 -0.02 0.00 0.00 57.16 57.91 1inz n GLU 19 Cb 0.00 -5.15 -0.00 0.00 -0.02 0.00 0.00 31.44 26.27 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 0.18 0.40 -1.43 0.62 0.00 -1.94 -1.36 119.26 115.72 1inz h ALA 20 Ca -0.24 0.00 0.42 0.00 0.00 0.00 0.00 54.91 55.09 1inz h ALA 20 Cb 1.07 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 1inz h ALA 20 CO 0.36 -0.19 1.02 1.05 0.00 0.00 0.00 179.25 181.48 1inz h GLU 21 N 0.36 0.03 -0.01 0.00 4.11 -1.86 0.41 114.58 117.62 1inz h GLU 21 Ca 0.13 -0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.42 1inz h GLU 21 Cb 0.02 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1inz h GLU 21 CO -0.07 0.02 -0.53 0.82 0.07 0.00 0.00 179.01 179.32 1inz h ILE 22 N 0.03 1.44 -0.07 -1.06 1.08 -1.62 -2.80 117.51 114.50 1inz h ILE 22 Ca 0.70 -2.02 0.03 0.00 -0.39 0.00 0.00 64.86 63.19 1inz h ILE 22 Cb 2.71 2.57 -0.04 0.00 -3.07 0.00 0.00 36.82 38.99 1inz h ILE 22 CO -0.06 0.58 -0.14 0.11 -0.69 0.00 0.00 178.15 177.95 1inz h LYS 23 N -0.14 -0.19 -0.80 2.37 1.79 -0.07 -1.53 116.57 117.99 1inz h LYS 23 Ca -0.06 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1inz h LYS 23 Cb 1.24 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.88 1inz h LYS 23 CO 0.10 -0.13 0.53 0.28 -1.08 0.00 0.00 179.45 179.15 1inz h VAL 24 N -0.20 1.11 0.04 0.50 2.07 -1.49 0.54 116.25 118.82 1inz h VAL 24 Ca 0.07 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1inz h VAL 24 Cb 0.30 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1inz h VAL 24 CO -0.19 0.18 -0.05 -0.09 0.02 0.00 0.00 177.57 177.43 1inz h ARG 25 N 0.97 -0.09 0.00 1.57 2.43 -1.00 -0.51 114.38 117.75 1inz h ARG 25 Ca 0.32 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1inz h ARG 25 Cb 0.07 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1inz h ARG 25 CO -0.10 -0.06 0.00 -1.91 -1.51 0.00 0.00 179.97 176.39 1inz n GLU 26 N -2.61 0.12 0.09 0.20 2.13 -1.02 -1.73 120.64 117.82 1inz n GLU 26 Ca -0.01 0.52 -0.05 0.00 0.66 0.00 0.00 57.16 58.27 1inz n GLU 26 Cb 0.04 -1.83 -0.01 0.00 0.27 0.00 0.00 31.44 29.92 1inz n GLU 26 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1inz h ALA 27 N 2.13 0.58 -0.99 4.31 0.00 0.23 -3.20 119.26 122.32 1inz h ALA 27 Ca 0.00 -0.77 -0.58 0.00 0.00 0.00 0.00 54.91 53.56 1inz h ALA 27 Cb 0.14 -0.13 -0.30 0.00 0.00 0.00 0.00 17.79 17.50 1inz h ALA 27 CO 0.00 1.05 0.74 0.25 0.00 0.00 0.00 179.25 181.29 1inz n THR 28 N -3.54 3.37 -3.53 0.00 -2.24 -0.31 -4.86 114.28 103.17 1inz n THR 28 Ca -0.01 -2.32 0.00 0.00 -2.27 0.00 0.00 64.05 59.46 1inz n THR 28 Cb 0.82 -0.77 -0.05 0.00 -2.10 0.00 0.00 70.33 68.22 1inz n THR 28 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1inz s SER 29 N -1.49 -0.41 -0.01 3.42 1.04 -1.21 -4.80 113.70 110.25 1inz s SER 29 Ca 0.60 0.61 -0.18 0.00 0.48 0.00 0.00 55.95 57.45 1inz s SER 29 Cb 0.49 1.30 0.03 0.00 0.10 0.00 0.00 66.02 67.94 1inz s SER 29 CO 0.06 -0.09 0.39 0.21 0.98 0.00 0.00 173.24 174.79 1inz s ASN 30 N 1.69 -0.28 0.10 7.02 3.84 -1.26 -4.77 114.94 121.28 1inz s ASN 30 Ca -0.06 0.18 0.00 0.00 0.21 0.00 0.00 52.86 53.19 1inz s ASN 30 Cb -0.04 0.37 0.00 0.00 -0.55 0.00 0.00 41.25 41.03 1inz s ASN 30 CO -0.15 -0.51 0.00 0.47 -2.79 0.00 0.00 177.10 174.12 1inz n ASP 31 N 1.09 -0.90 -4.67 -4.21 9.92 -1.26 -5.14 116.55 111.38 1inz n ASP 31 Ca -0.21 0.52 -0.29 0.00 -0.53 0.00 0.00 54.79 54.28 1inz n ASP 31 Cb 0.57 1.17 0.18 0.00 -0.64 0.00 0.00 41.12 42.39 1inz n ASP 31 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1inz s PRO 32 N -1.85 0.46 0.30 -0.24 0.04 -1.26 -4.84 135.00 127.61 1inz s PRO 32 Ca 0.00 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1inz s PRO 32 Cb 0.00 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1inz s PRO 32 CO 0.00 -2.73 0.00 0.91 0.04 0.00 0.00 177.00 175.22 1inz n TRP 33 N -4.19 -2.48 0.00 0.56 8.01 -1.26 -4.88 117.44 113.20 1inz n TRP 33 Ca 0.05 1.28 0.00 0.00 -1.31 0.00 0.00 57.50 57.53 1inz n TRP 33 Cb 0.57 -2.26 0.00 0.00 -2.01 0.00 0.00 31.31 27.61 1inz n TRP 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1inz n GLY 34 N -3.38 0.88 1.84 6.99 0.00 -1.26 -5.04 105.19 105.23 1inz n GLY 34 Ca -0.02 -1.38 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 1inz n GLY 34 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1inz n PRO 35 N 0.00 -2.72 -2.95 1.61 -0.04 -1.26 -4.91 135.00 124.73 1inz n PRO 35 Ca 0.00 -0.89 -0.18 0.00 -0.04 0.00 0.00 63.50 62.39 1inz n PRO 35 Cb 0.00 -0.95 0.02 0.00 -0.04 0.00 0.00 33.50 32.54 1inz n PRO 35 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1inz n SER 36 N -4.22 2.03 0.00 3.54 7.64 -1.26 -5.11 113.62 116.24 1inz n SER 36 Ca 0.08 -2.33 0.00 0.00 1.01 0.00 0.00 58.87 57.63 1inz n SER 36 Cb 0.32 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1inz n SER 36 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1inz n SER 37 N -2.14 0.00 -3.50 6.43 7.64 -1.26 -4.96 113.62 115.83 1inz n SER 37 Ca 0.05 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.66 1inz n SER 37 Cb 0.47 -0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.51 1inz n SER 37 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1inz n SER 38 N -1.59 1.41 -0.12 6.43 7.64 -1.26 -4.91 113.62 121.23 1inz n SER 38 Ca 0.00 -2.87 -0.24 0.00 1.01 0.00 0.00 58.87 56.77 1inz n SER 38 Cb 0.00 -0.65 -0.09 0.00 -1.01 0.00 0.00 64.21 62.46 1inz n SER 38 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1inz n LEU 39 N 1.94 1.96 0.02 -3.43 -0.00 -1.26 -4.08 117.00 112.15 1inz n LEU 39 Ca 0.25 0.21 -0.11 0.00 -0.00 0.00 0.00 56.01 56.36 1inz n LEU 39 Cb 0.44 -0.72 -0.08 0.00 -0.00 0.00 0.00 43.42 43.05 1inz n LEU 39 CO 0.21 0.58 0.39 0.24 -0.00 0.00 0.00 177.39 178.81 1inz h MET 40 N -0.68 -0.14 -0.24 1.96 2.86 -1.94 -2.13 114.93 114.62 1inz h MET 40 Ca -0.59 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.13 1inz h MET 40 Cb 1.59 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.27 1inz h MET 40 CO -0.31 0.36 0.22 1.03 1.06 0.00 0.00 176.91 179.26 1inz h SER 41 N -0.86 0.00 0.00 1.22 0.87 -1.93 -1.84 113.55 111.00 1inz h SER 41 Ca -0.01 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1inz h SER 41 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1inz h SER 41 CO 0.02 0.00 -0.00 -0.08 -0.53 0.00 0.00 176.83 176.24 1inz h GLU 42 N 0.00 -0.00 -0.78 2.24 4.57 -1.70 -2.78 114.58 116.13 1inz h GLU 42 Ca 0.11 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.39 1inz h GLU 42 Cb 0.54 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.08 1inz h GLU 42 CO -0.00 0.89 0.51 0.82 -1.18 0.00 0.00 179.01 180.05 1inz h ILE 43 N -0.91 0.95 -0.01 2.32 2.04 -0.86 -2.01 117.51 119.04 1inz h ILE 43 Ca -0.00 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1inz h ILE 43 Cb 0.89 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1inz h ILE 43 CO 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 178.15 178.28 1inz h ALA 44 N 1.60 0.01 0.00 1.87 0.00 -1.42 -2.05 119.26 119.27 1inz h ALA 44 Ca 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1inz h ALA 44 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1inz h ALA 44 CO -0.13 -0.29 0.22 0.22 0.00 0.00 0.00 179.25 179.26 1inz h ASP 45 N -0.36 0.00 0.50 0.00 3.58 -1.09 0.16 116.42 119.21 1inz h ASP 45 Ca 0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.16 1inz h ASP 45 Cb 0.39 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 1inz h ASP 45 CO 0.00 0.00 -1.53 -0.07 -2.88 0.00 0.00 179.24 174.76 1inz h LEU 46 N 0.00 0.27 -0.92 2.28 3.38 -0.73 -3.33 115.31 116.25 1inz h LEU 46 Ca 0.00 -0.40 0.08 0.00 0.09 0.00 0.00 57.88 57.65 1inz h LEU 46 Cb 0.44 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 1inz h LEU 46 CO 0.00 1.34 0.57 0.71 0.09 0.00 0.00 178.44 181.15 1inz h THR 47 N 0.05 1.00 -0.94 0.22 1.35 -0.04 -0.94 112.91 113.60 1inz h THR 47 Ca -0.23 -0.34 0.28 0.00 -0.55 0.00 0.00 66.41 65.57 1inz h THR 47 Cb 1.99 -0.08 -0.16 0.00 -1.73 0.00 0.00 68.15 68.17 1inz h THR 47 CO 0.14 0.18 0.28 1.88 -0.25 0.00 0.00 175.52 177.74 1inz h TYR 48 N 0.99 0.41 -0.03 4.73 0.05 -1.60 -3.39 116.97 118.13 1inz h TYR 48 Ca 0.42 0.05 0.00 0.00 0.05 0.00 0.00 58.73 59.25 1inz h TYR 48 Cb 0.28 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1inz h TYR 48 CO -0.02 -0.30 0.00 0.09 -1.05 0.00 0.00 178.16 176.87 1inz n ASN 49 N -5.27 -0.05 0.00 3.88 3.02 -0.36 -4.99 115.26 111.48 1inz n ASN 49 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1inz n ASN 49 Cb 0.84 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 1inz n ASN 49 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1inz n VAL 50 N -1.00 0.00 0.00 2.41 0.24 -1.26 -4.67 118.33 114.05 1inz n VAL 50 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1inz n VAL 50 Cb 0.00 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 31.58 1inz n VAL 50 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1inz n VAL 51 N -1.98 0.00 -0.29 3.34 0.31 -1.26 -3.95 118.33 114.50 1inz n VAL 51 Ca 0.00 0.46 0.28 0.00 -0.01 0.00 0.00 64.34 65.07 1inz n VAL 51 Cb 0.45 -1.40 0.52 0.00 -0.91 0.00 0.00 33.84 32.51 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 -2.02 0.92 0.28 3.52 0.00 -1.26 -0.25 120.51 121.68 1inz n ALA 52 Ca 0.00 0.94 -0.17 0.00 0.00 0.00 0.00 53.44 54.20 1inz n ALA 52 Cb 0.00 -0.92 -0.09 0.00 0.00 0.00 0.00 19.45 18.44 1inz n ALA 52 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1inz h PHE 53 N 0.00 -1.27 -0.92 0.00 3.57 -1.73 0.12 116.94 116.71 1inz h PHE 53 Ca 0.77 0.01 0.09 0.00 3.53 0.00 0.00 57.97 62.37 1inz h PHE 53 Cb 2.01 0.49 -0.07 0.00 2.79 0.00 0.00 35.95 41.17 1inz h PHE 53 CO -0.04 -0.63 0.57 0.77 -2.23 0.00 0.00 178.31 176.76 1inz h SER 54 N -0.93 0.85 0.42 0.41 0.02 -0.74 0.14 113.55 113.71 1inz h SER 54 Ca -0.05 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1inz h SER 54 Cb 0.82 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 1inz h SER 54 CO -0.06 0.49 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.65 1inz h GLU 55 N 0.95 0.00 0.00 3.45 5.08 -0.84 -1.40 114.58 121.83 1inz h GLU 55 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1inz h GLU 55 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1inz h GLU 55 CO -0.23 0.14 0.00 -0.89 -1.00 0.00 0.00 179.01 177.03 1inz n ILE 56 N -3.66 0.00 -0.34 3.13 5.41 0.42 -2.98 119.36 121.33 1inz n ILE 56 Ca -0.02 0.51 0.19 0.00 1.00 0.00 0.00 62.75 64.44 1inz n ILE 56 Cb 0.26 -1.47 0.41 0.00 -0.71 0.00 0.00 39.64 38.13 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 0.52 0.17 0.38 2.86 -1.42 -0.10 114.93 117.34 1inz h MET 57 Ca 0.00 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1inz h MET 57 Cb 0.00 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 1inz h MET 57 CO 0.00 0.34 -0.40 1.03 1.06 0.00 0.00 176.91 178.94 1inz h SER 58 N 0.53 -1.17 0.18 1.22 0.87 -1.38 0.14 113.55 113.94 1inz h SER 58 Ca 0.66 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 61.34 1inz h SER 58 Cb 1.31 0.43 -0.00 0.00 -0.44 0.00 0.00 62.40 63.70 1inz h SER 58 CO -0.49 -0.49 -0.03 0.24 -0.53 0.00 0.00 176.83 175.53 1inz h MET 59 N -0.67 0.00 -0.04 2.24 2.07 -0.98 -0.84 114.93 116.71 1inz h MET 59 Ca 0.01 0.00 -0.14 0.00 -2.07 0.00 0.00 59.70 57.50 1inz h MET 59 Cb 0.68 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.39 1inz h MET 59 CO -0.20 0.03 -0.63 0.82 1.07 0.00 0.00 176.91 178.00 1inz h ILE 60 N 0.00 1.42 -0.04 -1.22 5.03 0.65 -1.90 117.51 121.45 1inz h ILE 60 Ca -0.00 -2.08 -0.12 0.00 -0.12 0.00 0.00 64.86 62.53 1inz h ILE 60 Cb 0.14 2.09 0.01 0.00 -3.03 0.00 0.00 36.82 36.02 1inz h ILE 60 CO 0.00 0.61 -0.46 -0.50 -0.68 0.00 0.00 178.15 177.12 1inz h TRP 61 N 0.11 0.54 0.26 1.37 -0.00 0.45 -0.47 115.95 118.21 1inz h TRP 61 Ca -0.01 -0.26 -0.01 0.00 -0.00 0.00 0.00 58.89 58.60 1inz h TRP 61 Cb 1.13 -0.07 0.00 0.00 -0.00 0.00 0.00 29.16 30.22 1inz h TRP 61 CO 0.01 1.05 -0.12 0.87 -0.00 0.00 0.00 178.44 180.25 1inz h LYS 62 N -0.13 -0.34 -0.49 0.49 6.56 -1.48 -2.74 116.57 118.44 1inz h LYS 62 Ca -0.05 0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.53 1inz h LYS 62 Cb 1.15 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.86 1inz h LYS 62 CO 0.09 -0.13 0.16 0.00 -2.06 0.00 0.00 179.45 177.51 1inz h ARG 63 N -0.48 0.71 -0.23 3.15 2.47 -1.44 -1.47 114.38 117.10 1inz h ARG 63 Ca -0.04 -0.11 0.07 0.00 -1.26 0.00 0.00 59.98 58.64 1inz h ARG 63 Cb 0.36 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1inz h ARG 63 CO 0.06 0.61 0.33 -0.07 0.56 0.00 0.00 179.97 181.46 1inz h LEU 64 N 0.70 0.00 -4.49 3.04 3.38 -0.78 -1.02 115.31 116.14 1inz h LEU 64 Ca 0.16 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.57 1inz h LEU 64 Cb 0.19 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.52 1inz h LEU 64 CO -0.01 0.00 -0.79 -3.20 0.09 0.00 0.00 178.44 174.53 1inz n ASN 65 N -3.50 4.41 -4.90 -0.43 5.15 -0.56 -4.24 115.26 111.19 1inz n ASN 65 Ca 0.03 -3.61 -0.28 0.00 -0.60 0.00 0.00 54.58 50.11 1inz n ASN 65 Cb 0.45 -0.45 0.05 0.00 -0.53 0.00 0.00 39.78 39.29 1inz n ASN 65 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1inz s ASP 66 N -3.51 5.40 0.40 1.20 -1.08 -0.39 -4.90 116.67 113.78 1inz s ASP 66 Ca 0.46 0.91 0.00 0.00 -0.52 0.00 0.00 52.55 53.40 1inz s ASP 66 Cb 0.41 -1.75 0.00 0.00 -1.46 0.00 0.00 42.92 40.12 1inz s ASP 66 CO -0.14 -1.29 0.00 1.41 0.52 0.00 0.00 175.17 175.67 1inz n HIS 67 N -2.86 -2.77 0.00 -5.34 8.25 -1.26 -4.43 115.22 106.80 1inz n HIS 67 Ca 0.06 1.49 0.00 0.00 -0.26 0.00 0.00 57.72 59.02 1inz n HIS 67 Cb 0.58 -2.52 0.00 0.00 1.12 0.00 0.00 29.99 29.16 1inz n HIS 67 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1inz n GLY 68 N -3.83 -2.09 1.51 -1.41 0.00 -1.26 -4.38 105.19 93.73 1inz n GLY 68 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.03 1inz n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1inz n LYS 69 N 0.00 3.92 -2.63 1.61 4.81 -1.26 -4.99 118.16 119.61 1inz n LYS 69 Ca 0.00 -3.04 -0.36 0.00 -0.87 0.00 0.00 58.31 54.04 1inz n LYS 69 Cb 0.00 -2.09 -0.05 0.00 0.02 0.00 0.00 35.03 32.91 1inz n LYS 69 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1inz s ASN 70 N -1.32 6.83 -0.15 3.14 3.84 -1.26 0.15 114.94 126.16 1inz s ASN 70 Ca 0.50 1.93 0.16 0.00 0.21 0.00 0.00 52.86 55.65 1inz s ASN 70 Cb 0.39 -2.57 0.50 0.00 -0.55 0.00 0.00 41.25 39.02 1inz s ASN 70 CO 0.12 -0.44 1.41 -2.67 -2.79 0.00 0.00 177.10 172.73 1inz n TRP 71 N -0.19 0.90 0.00 0.43 4.27 -1.26 -4.68 117.44 116.91 1inz n TRP 71 Ca 0.05 -0.81 0.00 0.00 -3.89 0.00 0.00 57.50 52.86 1inz n TRP 71 Cb 0.51 -0.27 0.00 0.00 -1.36 0.00 0.00 31.31 30.19 1inz n TRP 71 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1inz n ARG 72 N -0.28 0.00 -0.06 -2.67 5.12 -1.26 -2.66 116.66 114.85 1inz n ARG 72 Ca 0.20 0.48 -0.08 0.00 -1.93 0.00 0.00 57.85 56.52 1inz n ARG 72 Cb 0.82 -1.20 -0.02 0.00 -1.16 0.00 0.00 32.46 30.91 1inz n ARG 72 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1inz h HIS 73 N 0.00 -0.04 -0.74 -1.55 3.86 -1.86 -2.49 115.15 112.33 1inz h HIS 73 Ca 0.00 0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.36 1inz h HIS 73 Cb 0.00 0.05 -0.13 0.00 1.06 0.00 0.00 27.41 28.39 1inz h HIS 73 CO 0.10 -0.05 -0.31 0.28 0.86 0.00 0.00 177.93 178.80 1inz h VAL 74 N 0.06 0.14 -0.21 2.45 2.07 -1.70 -0.29 116.25 118.78 1inz h VAL 74 Ca 0.12 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.69 1inz h VAL 74 Cb 0.16 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 29.99 1inz h VAL 74 CO -0.21 0.00 -0.39 0.22 0.02 0.00 0.00 177.57 177.21 1inz h TYR 75 N -0.08 -1.10 -0.29 1.57 3.20 -1.21 0.30 116.97 119.36 1inz h TYR 75 Ca 0.30 0.05 0.08 0.00 3.14 0.00 0.00 58.73 62.30 1inz h TYR 75 Cb 0.57 0.51 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 1inz h TYR 75 CO -0.69 -0.44 0.23 0.87 -1.64 0.00 0.00 178.16 176.49 1inz h LYS 76 N -0.42 0.00 -0.15 1.82 6.56 -1.04 0.09 116.57 123.43 1inz h LYS 76 Ca 0.10 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.54 1inz h LYS 76 Cb 0.59 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.24 1inz h LYS 76 CO -0.43 0.00 -0.54 0.00 -2.06 0.00 0.00 179.45 176.41 1inz h ALA 77 N 1.80 0.78 -0.80 3.86 0.00 0.10 -3.00 119.26 122.02 1inz h ALA 77 Ca 0.14 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1inz h ALA 77 Cb 0.61 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1inz h ALA 77 CO -0.00 0.69 0.41 0.52 0.00 0.00 0.00 179.25 180.87 1inz h MET 78 N 0.34 1.12 0.59 0.00 2.86 0.41 -1.99 114.93 118.25 1inz h MET 78 Ca 0.01 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1inz h MET 78 Cb 1.06 -0.21 0.01 0.00 0.06 0.00 0.00 31.60 32.51 1inz h MET 78 CO 0.10 0.84 -0.28 1.15 1.06 0.00 0.00 176.91 179.77 1inz h THR 79 N 1.12 0.00 -0.48 2.22 2.02 -1.39 -1.43 112.91 114.97 1inz h THR 79 Ca 0.28 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 67.52 1inz h THR 79 Cb 0.06 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.37 1inz h THR 79 CO -0.04 0.00 -0.32 0.25 0.37 0.00 0.00 175.52 175.78 1inz h LEU 80 N -0.82 -1.08 -1.28 2.58 5.85 -1.51 0.32 115.31 119.37 1inz h LEU 80 Ca -0.08 0.20 0.22 0.00 0.84 0.00 0.00 57.88 59.06 1inz h LEU 80 Cb 0.61 0.53 -0.09 0.00 0.37 0.00 0.00 40.66 42.07 1inz h LEU 80 CO 0.13 -0.31 0.63 -0.03 -0.34 0.00 0.00 178.44 178.52 1inz h MET 81 N -0.21 0.52 0.04 1.25 4.05 -1.31 -1.88 114.93 117.39 1inz h MET 81 Ca 0.20 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.59 1inz h MET 81 Cb 0.54 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1inz h MET 81 CO -0.59 0.34 -0.02 1.49 0.23 0.00 0.00 176.91 178.36 1inz h GLU 82 N 0.53 -0.05 -0.88 0.39 4.81 0.70 -2.81 114.58 117.27 1inz h GLU 82 Ca 0.55 0.00 0.25 0.00 -0.13 0.00 0.00 59.36 60.04 1inz h GLU 82 Cb 1.18 0.01 -0.16 0.00 0.63 0.00 0.00 28.75 30.41 1inz h GLU 82 CO -0.29 -0.04 0.06 0.98 -0.73 0.00 0.00 179.01 179.00 1inz n TYR 83 N -2.43 0.61 -0.16 0.92 9.36 -0.23 0.73 117.16 125.97 1inz n TYR 83 Ca -0.01 1.06 -0.10 0.00 3.32 0.00 0.00 57.90 62.17 1inz n TYR 83 Cb 0.02 -1.19 -0.01 0.00 -0.63 0.00 0.00 39.34 37.54 1inz n TYR 83 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1inz h LEU 84 N 0.00 0.82 -1.89 2.98 3.38 -1.46 -2.35 115.31 116.79 1inz h LEU 84 Ca 0.56 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1inz h LEU 84 Cb 1.19 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1inz h LEU 84 CO -0.81 0.95 0.36 0.40 0.09 0.00 0.00 178.44 179.43 1inz h ILE 85 N 0.66 0.00 0.00 1.22 2.04 0.59 0.48 117.51 122.50 1inz h ILE 85 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1inz h ILE 85 Cb 0.55 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1inz h ILE 85 CO 0.03 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.47 1inz n LYS 86 N -2.86 0.00 0.00 2.37 5.02 -0.92 -4.50 118.16 117.27 1inz n LYS 86 Ca -0.02 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.34 1inz n LYS 86 Cb 0.41 0.00 0.35 0.00 -0.02 0.00 0.00 35.03 35.77 1inz n LYS 86 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1inz n THR 87 N -0.28 0.66 0.00 -0.18 5.66 -0.96 -3.84 114.28 115.34 1inz n THR 87 Ca 0.00 0.16 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 1inz n THR 87 Cb 0.00 -0.93 0.00 0.00 -1.55 0.00 0.00 70.33 67.85 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 -0.08 -0.22 3.60 1.09 0.00 0.16 -4.46 105.19 105.28 1inz n GLY 88 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1inz n GLY 88 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1inz s SER 89 N -1.54 -0.16 0.62 1.61 0.15 -0.73 -3.62 113.70 110.03 1inz s SER 89 Ca 0.00 0.06 0.38 0.00 0.70 0.00 0.00 55.95 57.08 1inz s SER 89 Cb 0.00 0.15 2.04 0.00 -1.71 0.00 0.00 66.02 66.50 1inz s SER 89 CO 0.00 -0.22 2.26 -0.33 1.20 0.00 0.00 173.24 176.15 1inz h GLU 90 N 2.08 0.00 -0.04 5.44 3.07 -1.87 -2.10 114.58 121.16 1inz h GLU 90 Ca -0.10 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.50 1inz h GLU 90 Cb 1.17 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.10 1inz h GLU 90 CO 0.24 0.02 -0.97 0.00 -1.40 0.00 0.00 179.01 176.90 1inz h ARG 91 N 0.00 0.70 -0.26 2.33 2.47 -1.94 -2.72 114.38 114.95 1inz h ARG 91 Ca -0.00 -0.70 0.04 0.00 -1.26 0.00 0.00 59.98 58.06 1inz h ARG 91 Cb 0.11 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1inz h ARG 91 CO 0.00 1.29 0.18 0.28 0.56 0.00 0.00 179.97 182.28 1inz h VAL 92 N 0.42 0.97 0.17 2.04 2.07 -1.69 -1.83 116.25 118.40 1inz h VAL 92 Ca -0.11 -0.06 -0.31 0.00 0.82 0.00 0.00 66.70 67.04 1inz h VAL 92 Cb 1.61 0.76 0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1inz h VAL 92 CO 0.19 0.03 -1.33 0.77 0.02 0.00 0.00 177.57 177.25 1inz h SER 93 N 0.19 0.76 0.92 0.57 4.64 -1.54 -2.87 113.55 116.22 1inz h SER 93 Ca 0.11 -0.76 -0.04 0.00 -0.47 0.00 0.00 61.79 60.62 1inz h SER 93 Cb 0.21 -0.24 0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1inz h SER 93 CO -0.02 1.58 -0.46 1.56 -0.87 0.00 0.00 176.83 178.62 1inz h GLN 94 N 0.18 -1.22 -0.82 4.77 4.20 -1.03 -1.79 115.11 119.40 1inz h GLN 94 Ca -0.20 0.08 0.14 0.00 0.06 0.00 0.00 58.65 58.73 1inz h GLN 94 Cb 2.02 0.28 -0.06 0.00 0.30 0.00 0.00 27.48 30.02 1inz h GLN 94 CO 0.24 -0.81 0.54 0.37 -0.67 0.00 0.00 178.83 178.50 1inz h GLN 95 N -1.26 0.56 -0.61 1.46 4.15 -1.51 0.13 115.11 118.02 1inz h GLN 95 Ca -0.13 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 1inz h GLN 95 Cb 0.97 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.51 1inz h GLN 95 CO 0.20 0.37 0.35 0.00 -1.93 0.00 0.00 178.83 177.82 1inz h LYS 97 N 0.84 0.00 0.00 0.00 3.64 0.08 -2.84 116.57 118.28 1inz h LYS 97 Ca 0.22 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1inz h LYS 97 Cb -0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1inz h LYS 97 CO -0.04 0.46 -0.45 0.93 -2.27 0.00 0.00 179.45 178.08 1inz h GLU 98 N 0.00 0.00 -0.63 1.90 4.39 -0.51 -3.29 114.58 116.45 1inz h GLU 98 Ca -0.00 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.29 1inz h GLU 98 Cb 1.04 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 29.45 1inz h GLU 98 CO 0.06 0.26 -0.05 0.09 -1.16 0.00 0.00 179.01 178.21 1inz n ASN 99 N -3.10 4.25 0.19 1.42 4.13 -0.05 -4.69 115.26 117.41 1inz n ASN 99 Ca 0.01 -3.78 0.06 0.00 1.68 0.00 0.00 54.58 52.56 1inz n ASN 99 Cb 0.65 -0.64 0.55 0.00 -1.54 0.00 0.00 39.78 38.81 1inz n ASN 99 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1inz h MET 100 N 1.52 0.14 0.00 3.52 -0.00 -1.58 -1.10 114.93 117.43 1inz h MET 100 Ca 0.37 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 60.04 1inz h MET 100 Cb 1.53 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 33.10 1inz h MET 100 CO 0.78 0.14 -0.04 1.88 -0.00 0.00 0.00 176.91 179.66 1inz h TYR 101 N 0.14 0.00 0.04 -0.10 0.05 -1.90 -1.28 116.97 113.92 1inz h TYR 101 Ca 0.04 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.56 1inz h TYR 101 Cb 0.07 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.83 1inz h TYR 101 CO 0.00 0.04 -1.04 0.00 -1.05 0.00 0.00 178.16 176.11 1inz h ALA 102 N 1.96 0.07 0.00 3.88 0.00 -1.57 -2.22 119.26 121.37 1inz h ALA 102 Ca -0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 54.91 54.11 1inz h ALA 102 Cb 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1inz h ALA 102 CO 0.01 0.63 -0.45 0.28 0.00 0.00 0.00 179.25 179.71 1inz h VAL 103 N 0.27 1.07 0.00 0.00 2.07 -1.40 -3.03 116.25 115.22 1inz h VAL 103 Ca -0.14 -1.70 -0.16 0.00 0.82 0.00 0.00 66.70 65.52 1inz h VAL 103 Cb 1.72 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 33.45 1inz h VAL 103 CO 0.20 0.44 -0.86 1.56 0.02 0.00 0.00 177.57 178.94 1inz h GLN 104 N 0.00 0.00 0.00 1.57 1.08 -1.27 -3.21 115.11 113.28 1inz h GLN 104 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1inz h GLN 104 Cb 0.95 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 1inz h GLN 104 CO 0.06 0.61 0.00 -2.37 -0.95 0.00 0.00 178.83 176.18 1inz n THR 105 N -3.20 1.20 0.08 -0.54 5.66 -0.84 -1.88 114.28 114.77 1inz n THR 105 Ca -0.02 0.44 -0.10 0.00 -3.05 0.00 0.00 64.05 61.32 1inz n THR 105 Cb 0.83 -1.37 -0.05 0.00 -1.55 0.00 0.00 70.33 68.19 1inz n THR 105 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1inz h LEU 106 N 0.00 0.29 -1.55 1.09 3.38 -1.65 -3.24 115.31 113.63 1inz h LEU 106 Ca 0.00 -0.25 0.40 0.00 0.09 0.00 0.00 57.88 58.12 1inz h LEU 106 Cb 0.15 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1inz h LEU 106 CO 0.00 1.09 1.23 0.50 0.09 0.00 0.00 178.44 181.36 1inz h LYS 107 N 0.10 0.00 0.10 1.13 3.64 -1.57 0.74 116.57 120.72 1inz h LYS 107 Ca -0.06 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.97 1inz h LYS 107 Cb 1.63 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.43 1inz h LYS 107 CO 0.15 0.00 -1.93 -0.25 -2.27 0.00 0.00 179.45 175.15 1inz n ASP 108 N -3.61 1.87 -4.48 4.20 8.00 -1.22 -4.72 116.55 116.59 1inz n ASP 108 Ca 0.31 0.26 -0.42 0.00 0.71 0.00 0.00 54.79 55.65 1inz n ASP 108 Cb 1.66 -0.71 -0.14 0.00 -0.02 0.00 0.00 41.12 41.91 1inz n ASP 108 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1inz n PHE 109 N -3.40 0.68 -3.11 1.24 -0.00 0.26 -4.79 117.46 108.34 1inz n PHE 109 Ca -0.28 0.39 -0.11 0.00 -0.00 0.00 0.00 57.45 57.44 1inz n PHE 109 Cb 1.05 -2.39 -0.04 0.00 -0.00 0.00 0.00 39.48 38.10 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 8.69 0.89 -0.09 -4.13 -2.07 -0.87 -4.56 119.66 117.52 1inz s GLN 110 Ca 1.32 -1.10 -0.30 0.00 -1.82 0.00 0.00 55.36 53.46 1inz s GLN 110 Cb -1.19 -0.47 -0.02 0.00 -1.09 0.00 0.00 33.01 30.24 1inz s GLN 110 CO 0.49 -1.29 1.13 -0.47 -1.32 0.00 0.00 175.29 173.83 1inz s TYR 111 N 1.00 3.29 -0.28 9.60 6.14 0.38 -4.84 117.35 132.63 1inz s TYR 111 Ca 0.25 1.35 0.07 0.00 0.64 0.00 0.00 57.07 59.38 1inz s TYR 111 Cb -0.04 -3.34 -0.08 0.00 0.42 0.00 0.00 41.96 38.92 1inz s TYR 111 CO -0.08 -0.91 0.28 1.55 0.64 0.00 0.00 175.55 177.04 1inz n VAL 112 N 4.70 0.00 -1.59 3.14 3.14 -1.26 -4.67 118.33 121.78 1inz n VAL 112 Ca 0.10 -0.30 0.13 0.00 -2.96 0.00 0.00 64.34 61.31 1inz n VAL 112 Cb 0.47 0.89 -0.03 0.00 -1.06 0.00 0.00 33.84 34.10 1inz n VAL 112 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1inz n ASP 113 N -1.27 -6.45 -0.20 6.55 8.00 -1.26 -2.88 116.55 119.04 1inz n ASP 113 Ca 0.01 1.03 -0.01 0.00 0.71 0.00 0.00 54.79 56.53 1inz n ASP 113 Cb 0.13 -2.99 0.09 0.00 -0.02 0.00 0.00 41.12 38.33 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 0.00 0.49 -1.56 -1.24 -0.00 -2.02 -1.69 114.38 108.36 1inz h ARG 114 Ca 0.02 -0.03 0.45 0.00 -0.00 0.00 0.00 59.98 60.42 1inz h ARG 114 Cb 0.87 -0.11 -0.06 0.00 -0.00 0.00 0.00 29.97 30.67 1inz h ARG 114 CO 0.01 0.33 1.29 -0.40 -0.00 0.00 0.00 179.97 181.20 1inz n ASP 115 N -4.91 0.00 -3.08 0.08 5.75 -1.25 -4.71 116.55 108.43 1inz n ASP 115 Ca 0.08 0.87 -0.20 0.00 -0.01 0.00 0.00 54.79 55.52 1inz n ASP 115 Cb 0.22 -0.39 0.06 0.00 -1.03 0.00 0.00 41.12 39.98 1inz n ASP 115 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1inz n GLY 116 N -1.81 -0.32 3.20 6.12 0.00 -0.64 -4.96 105.19 106.79 1inz n GLY 116 Ca 0.35 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 46.07 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 -6.07 2.60 -0.19 1.61 -0.14 -1.24 -5.04 119.74 111.27 1inz s LYS 117 Ca 0.48 -1.95 -0.32 0.00 -1.36 0.00 0.00 55.97 52.82 1inz s LYS 117 Cb -0.21 -3.94 -0.09 0.00 -1.68 0.00 0.00 37.83 31.90 1inz s LYS 117 CO 0.59 -1.20 2.09 -0.25 -0.76 0.00 0.00 175.35 175.82 1inz n ASP 118 N 4.60 3.12 -0.99 2.83 8.00 -1.26 -4.73 116.55 128.11 1inz n ASP 118 Ca -0.03 0.55 -0.02 0.00 0.71 0.00 0.00 54.79 56.00 1inz n ASP 118 Cb 0.41 -1.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.06 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 7.87 0.00 -2.94 -1.24 10.64 -1.26 -4.97 117.38 125.48 1inz n GLN 119 Ca 0.30 -1.09 -0.33 0.00 -1.83 0.00 0.00 57.00 54.05 1inz n GLN 119 Cb 0.34 0.18 -0.02 0.00 -0.86 0.00 0.00 30.24 29.88 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 0.13 5.60 0.14 2.61 0.00 -1.26 -4.68 105.19 107.73 1inz n GLY 120 Ca -0.11 -2.71 -0.07 0.00 0.00 0.00 0.00 46.02 43.13 1inz n GLY 120 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1inz n VAL 121 N 0.17 0.51 -0.54 1.61 3.14 -1.26 -4.45 118.33 117.50 1inz n VAL 121 Ca 0.35 -0.19 0.41 0.00 -2.96 0.00 0.00 64.34 61.96 1inz n VAL 121 Cb 0.35 -0.94 0.65 0.00 -1.06 0.00 0.00 33.84 32.84 1inz n VAL 121 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1inz n ASN 122 N -2.86 0.03 -0.00 6.55 5.03 -1.26 0.14 115.26 122.89 1inz n ASN 122 Ca -0.16 0.87 -0.19 0.00 0.87 0.00 0.00 54.58 55.97 1inz n ASN 122 Cb 0.66 -0.43 -0.14 0.00 -1.02 0.00 0.00 39.78 38.85 1inz n ASN 122 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1inz h VAL 123 N 0.00 1.42 -0.33 2.41 2.07 -1.83 -2.72 116.25 117.27 1inz h VAL 123 Ca 0.76 -2.43 0.08 0.00 0.82 0.00 0.00 66.70 65.92 1inz h VAL 123 Cb 2.93 3.06 -0.02 0.00 -1.52 0.00 0.00 31.29 35.74 1inz h VAL 123 CO -0.08 0.66 0.23 -0.09 0.02 0.00 0.00 177.57 178.31 1inz h ARG 124 N -0.55 0.10 0.00 1.57 2.43 0.96 -1.61 114.38 117.28 1inz h ARG 124 Ca -0.16 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1inz h ARG 124 Cb 1.49 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.01 1inz h ARG 124 CO 0.07 0.07 -0.25 0.93 -1.51 0.00 0.00 179.97 179.28 1inz h GLU 125 N 0.10 0.00 -0.39 0.20 5.08 -1.39 -2.96 114.58 115.22 1inz h GLU 125 Ca 0.15 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.59 1inz h GLU 125 Cb 0.48 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 1inz h GLU 125 CO -0.02 0.52 -0.07 0.87 -1.00 0.00 0.00 179.01 179.32 1inz h LYS 126 N -1.00 0.03 -0.79 2.33 1.79 -1.36 -1.28 116.57 116.29 1inz h LYS 126 Ca -0.05 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1inz h LYS 126 Cb 0.63 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.24 1inz h LYS 126 CO -0.03 0.02 0.46 0.00 -1.08 0.00 0.00 179.45 178.82 1inz h ALA 127 N 1.38 1.00 -0.18 3.86 0.00 -1.46 -2.76 119.26 121.10 1inz h ALA 127 Ca 0.19 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1inz h ALA 127 Cb 0.29 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1inz h ALA 127 CO -0.38 0.49 -0.02 -0.22 0.00 0.00 0.00 179.25 179.12 1inz h LYS 128 N 1.08 0.04 -0.27 0.00 3.64 -1.08 -2.24 116.57 117.74 1inz h LYS 128 Ca 0.28 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.71 1inz h LYS 128 Cb -0.01 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 1inz h LYS 128 CO -0.05 0.03 -0.03 1.96 -2.27 0.00 0.00 179.45 179.08 1inz h GLN 129 N 0.04 0.04 -0.95 1.90 1.08 -1.12 -0.23 115.11 115.87 1inz h GLN 129 Ca 0.09 -0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.43 1inz h GLN 129 Cb 0.12 -0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 27.45 1inz h GLN 129 CO -0.16 0.03 0.57 -0.07 -0.95 0.00 0.00 178.83 178.25 1inz h LEU 130 N 0.04 0.78 -0.87 1.46 3.38 -1.19 0.17 115.31 119.08 1inz h LEU 130 Ca 0.13 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1inz h LEU 130 Cb 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1inz h LEU 130 CO -0.25 0.37 -0.38 0.58 0.09 0.00 0.00 178.44 178.85 1inz h VAL 131 N 0.84 0.86 0.31 1.22 2.07 -0.70 -1.41 116.25 119.44 1inz h VAL 131 Ca 0.50 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1inz h VAL 131 Cb 0.62 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1inz h VAL 131 CO -0.31 0.37 -0.15 0.00 0.02 0.00 0.00 177.57 177.50 1inz h ALA 132 N 1.62 -0.41 -0.30 1.67 0.00 0.10 -0.44 119.26 121.50 1inz h ALA 132 Ca -0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1inz h ALA 132 Cb 0.93 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1inz h ALA 132 CO 0.05 -0.48 -0.42 1.25 0.00 0.00 0.00 179.25 179.65 1inz h LEU 133 N -0.92 0.79 0.09 0.00 5.85 -1.43 -3.35 115.31 116.33 1inz h LEU 133 Ca -0.04 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1inz h LEU 133 Cb 0.51 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1inz h LEU 133 CO 0.07 1.10 -0.04 -0.07 -0.34 0.00 0.00 178.44 179.16 1inz h LEU 134 N 0.60 -0.10 -8.70 2.25 3.38 -1.34 -3.42 115.31 107.98 1inz h LEU 134 Ca 0.04 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.37 1inz h LEU 134 Cb 0.97 0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.60 1inz h LEU 134 CO 0.09 -0.02 0.02 -0.60 0.09 0.00 0.00 178.44 178.02 1inz s ARG 135 N -2.24 3.50 0.12 1.13 3.00 -0.18 -4.81 118.95 119.48 1inz s ARG 135 Ca -0.02 -0.22 0.00 0.00 -1.00 0.00 0.00 55.73 54.49 1inz s ARG 135 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 34.95 31.09 1inz s ARG 135 CO 0.05 -0.78 0.00 -3.47 0.00 0.00 0.00 175.30 171.11 1inz n ASP 136 N 5.93 -0.39 -2.71 -2.12 2.03 -1.26 -4.32 116.55 113.72 1inz n ASP 136 Ca -0.03 0.21 -0.06 0.00 0.52 0.00 0.00 54.79 55.43 1inz n ASP 136 Cb 0.48 0.49 0.08 0.00 -0.72 0.00 0.00 41.12 41.46 1inz n ASP 136 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1inz n GLU 137 N -2.86 0.56 -1.67 -0.67 0.28 -1.26 -5.11 120.64 109.91 1inz n GLU 137 Ca 0.00 -1.33 -0.50 0.00 -0.16 0.00 0.00 57.16 55.17 1inz n GLU 137 Cb 0.00 -0.77 -0.05 0.00 1.43 0.00 0.00 31.44 32.05 1inz n GLU 137 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1inz n ASP 138 N 0.98 3.20 -0.58 -1.84 -0.08 -1.26 -4.95 116.55 112.02 1inz n ASP 138 Ca 0.03 0.92 0.00 0.00 -1.51 0.00 0.00 54.79 54.23 1inz n ASP 138 Cb 0.70 -1.33 0.00 0.00 2.34 0.00 0.00 41.12 42.82 1inz n ASP 138 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1inz n ARG 139 N 6.67 2.80 -3.57 -0.67 1.74 -1.26 -5.14 116.66 117.21 1inz n ARG 139 Ca 0.25 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.24 1inz n ARG 139 Cb 0.27 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.67 1inz n ARG 139 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1inz s LEU 140 N 0.00 -0.33 0.00 0.55 0.05 -1.26 -5.17 118.68 112.53 1inz s LEU 140 Ca 0.00 0.29 0.00 0.00 0.05 0.00 0.00 54.13 54.47 1inz s LEU 140 Cb 0.00 1.79 0.00 0.00 -2.05 0.00 0.00 46.19 45.93 1inz s LEU 140 CO 0.00 -0.35 0.00 -2.11 -0.55 0.00 0.00 176.35 173.34 1inz n ARG 141 N 0.53 0.72 -1.46 1.48 1.85 -1.26 -4.09 116.66 114.44 1inz n ARG 141 Ca -0.08 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.61 1inz n ARG 141 Cb 0.58 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.93 1inz n ARG 141 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1inz n GLU 142 N -0.40 -1.21 -0.89 2.89 0.00 -1.26 -4.90 120.64 114.87 1inz n GLU 142 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 57.16 58.21 1inz n GLU 142 Cb 0.00 -5.27 0.00 0.00 0.00 0.00 0.00 31.44 26.17 1inz n GLU 142 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1inz n GLU 143 N -2.30 0.00 0.00 5.31 1.02 -1.26 -5.33 120.64 118.09 1inz n GLU 143 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1inz n GLU 143 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 1inz n GLU 143 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20