#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ima n PRO 2 N 0.00 -1.71 0.04 6.28 -0.02 -1.26 -4.95 135.00 133.38 3ima n PRO 2 Ca 0.00 -0.48 -0.19 0.00 -2.02 0.00 0.00 63.50 60.81 3ima n PRO 2 Cb 0.00 -1.79 -0.13 0.00 -0.02 0.00 0.00 33.50 31.57 3ima n PRO 2 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ima h GLU 3 N -2.16 0.41 -5.86 -0.52 4.81 -1.99 -3.46 114.58 105.82 3ima h GLU 3 Ca -0.55 -0.55 -0.57 0.00 -0.13 0.00 0.00 59.36 57.56 3ima h GLU 3 Cb 1.35 0.18 -0.29 0.00 0.63 0.00 0.00 28.75 30.63 3ima h GLU 3 CO 0.40 1.21 -0.84 0.71 -0.73 0.00 0.00 179.01 179.76 3ima s TYR 4 N -2.87 1.71 -0.04 0.92 1.51 -1.26 -3.91 117.35 113.41 3ima s TYR 4 Ca -0.13 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 3ima s TYR 4 Cb 0.03 -1.09 0.02 0.00 -0.11 0.00 0.00 41.96 40.82 3ima s TYR 4 CO 0.85 -0.01 -0.02 0.08 -1.11 0.00 0.00 175.55 175.34 3ima s VAL 5 N -0.51 0.37 -0.33 0.71 1.01 -0.70 -4.96 120.40 115.99 3ima s VAL 5 Ca 0.07 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.07 3ima s VAL 5 Cb -0.08 -0.45 0.14 0.00 0.00 0.00 0.00 36.38 35.99 3ima s VAL 5 CO -0.00 0.20 0.31 -0.62 0.00 0.00 0.00 175.10 174.99 3ima s ASP 6 N 1.18 1.77 0.14 3.32 2.15 -1.26 -0.82 116.67 123.14 3ima s ASP 6 Ca -0.07 -1.34 0.08 0.00 0.43 0.00 0.00 52.55 51.64 3ima s ASP 6 Cb -0.14 0.35 0.44 0.00 -0.30 0.00 0.00 42.92 43.27 3ima s ASP 6 CO -0.02 -0.33 1.20 0.79 -0.17 0.00 0.00 175.17 176.65 3ima n TRP 7 N 4.68 0.27 0.08 -5.34 7.02 -0.41 -0.99 117.44 122.75 3ima n TRP 7 Ca 0.05 0.14 -0.05 0.00 -1.02 0.00 0.00 57.50 56.63 3ima n TRP 7 Cb 0.44 -0.67 0.13 0.00 -2.42 0.00 0.00 31.31 28.79 3ima n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3ima h ARG 8 N 0.00 0.26 0.00 -0.99 3.08 -1.91 -2.15 114.38 112.67 3ima h ARG 8 Ca 0.00 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3ima h ARG 8 Cb 0.15 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3ima h ARG 8 CO 0.00 0.77 0.00 1.96 -1.07 0.00 0.00 179.97 181.63 3ima h GLN 9 N 0.20 0.00 0.00 0.04 4.20 -1.48 -1.07 115.11 117.00 3ima h GLN 9 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ima h GLN 9 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 3ima h GLN 9 CO 0.09 0.00 -0.87 1.63 -0.67 0.00 0.00 178.83 179.01 3ima n LYS 10 N -2.58 0.21 -2.12 1.46 4.76 -1.08 -4.97 118.16 113.84 3ima n LYS 10 Ca 0.02 0.01 -0.02 0.00 -2.87 0.00 0.00 58.31 55.45 3ima n LYS 10 Cb 0.27 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 3ima n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ima n GLY 11 N 1.40 0.38 1.12 0.72 0.00 -0.41 -4.95 105.19 103.45 3ima n GLY 11 Ca 0.03 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.35 3ima n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ima n ALA 12 N -1.33 3.17 -3.59 4.61 0.00 -0.83 -4.68 120.51 117.87 3ima n ALA 12 Ca -0.02 -2.19 -0.18 0.00 0.00 0.00 0.00 53.44 51.06 3ima n ALA 12 Cb 0.51 -0.80 -0.16 0.00 0.00 0.00 0.00 19.45 19.00 3ima n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ima s VAL 13 N -2.75 0.34 0.71 0.00 1.01 -1.26 -3.82 120.40 114.63 3ima s VAL 13 Ca 0.45 -0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 3ima s VAL 13 Cb 0.35 -0.39 0.07 0.00 0.00 0.00 0.00 36.38 36.41 3ima s VAL 13 CO 0.11 0.17 1.02 0.42 0.00 0.00 0.00 175.10 176.82 3ima s THR 14 N 0.85 2.27 0.68 3.92 -4.23 -1.26 -4.97 115.64 112.90 3ima s THR 14 Ca -0.10 -0.30 -0.15 0.00 -1.18 0.00 0.00 61.69 59.96 3ima s THR 14 Cb -0.13 -2.97 0.01 0.00 1.34 0.00 0.00 72.50 70.75 3ima s THR 14 CO -0.01 0.00 1.15 -2.16 -0.54 0.00 0.00 174.62 173.07 3ima s PRO 15 N -5.25 2.58 0.37 3.99 0.04 -1.26 -4.94 135.00 130.53 3ima s PRO 15 Ca 0.61 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.96 3ima s PRO 15 Cb -0.10 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 3ima s PRO 15 CO 0.45 -1.45 1.22 0.28 0.04 0.00 0.00 177.00 177.53 3ima n VAL 16 N -2.42 2.25 -4.42 -0.36 0.31 -1.26 -5.01 118.33 107.42 3ima n VAL 16 Ca 0.12 -0.50 -0.26 0.00 -0.01 0.00 0.00 64.34 63.69 3ima n VAL 16 Cb 0.51 -1.45 -0.09 0.00 -0.91 0.00 0.00 33.84 31.89 3ima n VAL 16 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3ima s LYS 17 N -1.98 2.04 -0.17 5.55 -0.14 -1.26 -4.81 119.74 118.97 3ima s LYS 17 Ca 0.59 -1.95 0.00 0.00 -1.36 0.00 0.00 55.97 53.25 3ima s LYS 17 Cb -0.56 -1.80 0.04 0.00 -1.68 0.00 0.00 37.83 33.83 3ima s LYS 17 CO 0.60 -0.01 -0.09 1.21 -0.76 0.00 0.00 175.35 176.30 3ima s ASN 18 N -3.75 2.91 0.15 2.83 3.84 -1.26 -1.94 114.94 117.73 3ima s ASN 18 Ca 0.36 -0.66 0.22 0.00 0.21 0.00 0.00 52.86 52.99 3ima s ASN 18 Cb 0.05 -1.05 0.89 0.00 -0.55 0.00 0.00 41.25 40.59 3ima s ASN 18 CO 0.19 -0.14 1.69 0.00 -2.79 0.00 0.00 177.10 176.05 3ima n GLN 19 N 4.80 0.13 0.00 0.43 10.64 0.32 -4.93 117.38 128.78 3ima n GLN 19 Ca -0.14 0.28 0.00 0.00 -1.83 0.00 0.00 57.00 55.32 3ima n GLN 19 Cb 0.48 -1.72 0.00 0.00 -0.86 0.00 0.00 30.24 28.14 3ima n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3ima n GLY 20 N 0.46 0.65 0.00 2.61 0.00 -1.26 -3.40 105.19 104.24 3ima n GLY 20 Ca 0.04 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.37 3ima n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ima n SER 21 N -2.00 0.00 -4.79 1.61 3.41 -1.26 -4.82 113.62 105.76 3ima n SER 21 Ca 0.00 -1.66 -0.37 0.00 -0.26 0.00 0.00 58.87 56.59 3ima n SER 21 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 3ima n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ima n GLY 23 N 2.61 4.18 3.09 0.00 0.00 -0.63 -4.93 105.19 109.51 3ima n GLY 23 Ca -0.14 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 3ima n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ima s SER 24 N 3.40 5.13 0.00 1.61 1.04 -1.26 -2.93 113.70 120.70 3ima s SER 24 Ca 0.49 -2.50 0.00 0.00 0.48 0.00 0.00 55.95 54.42 3ima s SER 24 Cb 0.14 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.45 3ima s SER 24 CO -0.06 -0.43 0.00 -2.67 0.98 0.00 0.00 173.24 171.06 3ima n TRP 26 N 3.94 0.00 0.03 5.02 4.27 -1.26 -2.03 117.44 127.41 3ima n TRP 26 Ca 0.03 0.00 -0.19 0.00 -3.89 0.00 0.00 57.50 53.45 3ima n TRP 26 Cb 0.39 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.22 3ima n TRP 26 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3ima h ALA 27 N 0.00 0.04 -0.25 -1.67 0.00 -1.91 -2.63 119.26 112.85 3ima h ALA 27 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 3ima h ALA 27 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ima h ALA 27 CO 0.00 0.44 0.09 0.74 0.00 0.00 0.00 179.25 180.52 3ima h PHE 28 N -0.03 0.39 -0.59 0.00 -1.00 -1.74 -1.51 116.94 112.45 3ima h PHE 28 Ca -0.11 -0.03 0.10 0.00 2.81 0.00 0.00 57.97 60.74 3ima h PHE 28 Cb 1.49 -0.11 -0.08 0.00 3.61 0.00 0.00 35.95 40.86 3ima h PHE 28 CO 0.15 0.42 0.15 1.03 -1.61 0.00 0.00 178.31 178.44 3ima h SER 29 N 0.24 0.05 -0.31 2.17 0.87 -1.80 -1.44 113.55 113.33 3ima h SER 29 Ca 0.08 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 3ima h SER 29 Cb 0.21 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3ima h SER 29 CO -0.00 0.04 0.09 0.00 -0.53 0.00 0.00 176.83 176.42 3ima h ALA 30 N 1.45 0.41 -0.44 6.23 0.00 -1.29 -2.85 119.26 122.77 3ima h ALA 30 Ca 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3ima h ALA 30 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3ima h ALA 30 CO -0.37 0.05 0.16 0.28 0.00 0.00 0.00 179.25 179.37 3ima h VAL 31 N 0.34 1.17 -0.29 0.00 2.07 -0.81 -1.74 116.25 116.99 3ima h VAL 31 Ca 0.10 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3ima h VAL 31 Cb 0.26 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3ima h VAL 31 CO -0.00 0.22 0.12 0.58 0.02 0.00 0.00 177.57 178.50 3ima h VAL 32 N 0.63 0.95 -0.52 2.57 2.07 -1.04 -1.09 116.25 119.82 3ima h VAL 32 Ca 0.15 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 3ima h VAL 32 Cb 0.16 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3ima h VAL 32 CO -0.01 0.05 0.17 0.71 0.02 0.00 0.00 177.57 178.51 3ima h THR 33 N 0.26 1.20 -0.33 2.57 1.35 -1.31 -1.73 112.91 114.93 3ima h THR 33 Ca 0.13 -0.67 -0.07 0.00 -0.55 0.00 0.00 66.41 65.25 3ima h THR 33 Cb 0.08 0.62 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 3ima h THR 33 CO -0.12 0.26 -0.07 0.40 -0.25 0.00 0.00 175.52 175.74 3ima h ILE 34 N 0.74 1.28 -0.88 6.82 2.04 -0.86 -0.93 117.51 125.73 3ima h ILE 34 Ca 0.17 -1.11 0.02 0.00 1.00 0.00 0.00 64.86 64.94 3ima h ILE 34 Cb 0.20 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 3ima h ILE 34 CO -0.01 0.36 0.57 -0.33 0.00 0.00 0.00 178.15 178.74 3ima h GLU 35 N 0.40 1.11 0.89 2.37 5.08 -0.96 -1.63 114.58 121.84 3ima h GLU 35 Ca 0.08 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3ima h GLU 35 Cb 0.56 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.57 3ima h GLU 35 CO 0.03 0.73 -0.43 0.78 -1.00 0.00 0.00 179.01 179.13 3ima h GLY 36 N 1.14 -1.24 1.13 -3.84 0.00 -0.98 -2.23 103.07 97.06 3ima h GLY 36 Ca 0.34 0.46 0.07 0.00 0.00 0.00 0.00 47.33 48.20 3ima h GLY 36 CO -0.09 -0.45 0.41 1.19 0.00 0.00 0.00 176.54 177.60 3ima h ILE 37 N -1.29 0.99 -0.35 2.60 6.09 -1.13 0.49 117.51 124.91 3ima h ILE 37 Ca -0.12 -0.20 -0.12 0.00 -1.37 0.00 0.00 64.86 63.05 3ima h ILE 37 Cb 0.91 0.34 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 3ima h ILE 37 CO 0.20 0.11 -0.26 0.40 -3.07 0.00 0.00 178.15 175.52 3ima h ILE 38 N 0.59 1.28 -0.24 2.19 1.08 -1.28 -0.55 117.51 120.59 3ima h ILE 38 Ca 0.27 -1.38 -0.08 0.00 -0.39 0.00 0.00 64.86 63.29 3ima h ILE 38 Cb 0.31 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 3ima h ILE 38 CO -0.08 0.45 -0.16 0.50 -0.69 0.00 0.00 178.15 178.17 3ima h LYS 39 N 0.62 0.52 -0.88 2.37 1.63 -0.53 0.94 116.57 121.24 3ima h LYS 39 Ca 0.08 -0.25 0.01 0.00 -0.85 0.00 0.00 60.65 59.65 3ima h LYS 39 Cb 0.77 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.35 3ima h LYS 39 CO 0.06 0.81 0.58 0.82 -3.45 0.00 0.00 179.45 178.28 3ima h ILE 40 N 0.23 1.21 0.00 2.00 2.04 -0.78 0.92 117.51 123.13 3ima h ILE 40 Ca 0.05 -0.40 -0.22 0.00 1.00 0.00 0.00 64.86 65.28 3ima h ILE 40 Cb 0.68 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 3ima h ILE 40 CO 0.04 0.21 -1.74 0.54 0.00 0.00 0.00 178.15 177.21 3ima n ARG 41 N -4.41 0.64 -0.00 2.37 5.12 -0.23 -4.45 116.66 115.70 3ima n ARG 41 Ca 0.10 0.15 0.04 0.00 -1.93 0.00 0.00 57.85 56.22 3ima n ARG 41 Cb 0.04 -1.72 -0.06 0.00 -1.16 0.00 0.00 32.46 29.56 3ima n ARG 41 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3ima n THR 42 N -2.83 0.00 -1.00 0.55 -2.24 0.32 -4.99 114.28 104.09 3ima n THR 42 Ca -0.16 -0.26 -0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3ima n THR 42 Cb 0.93 0.69 -0.00 0.00 -2.10 0.00 0.00 70.33 69.85 3ima n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ima n GLY 43 N 1.54 0.40 3.17 3.38 0.00 0.32 -5.00 105.19 109.00 3ima n GLY 43 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3ima n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ima s ASN 44 N -2.02 3.28 -0.27 1.61 0.02 -1.25 -4.99 114.94 111.33 3ima s ASN 44 Ca 0.00 -0.59 -0.15 0.00 -1.02 0.00 0.00 52.86 51.11 3ima s ASN 44 Cb 0.00 -1.50 -0.04 0.00 0.02 0.00 0.00 41.25 39.73 3ima s ASN 44 CO 0.00 0.04 0.36 -0.22 0.02 0.00 0.00 177.10 177.30 3ima s LEU 45 N 1.06 4.05 0.27 0.60 2.96 -1.26 -3.43 118.68 122.92 3ima s LEU 45 Ca -0.01 0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.22 3ima s LEU 45 Cb -0.14 -2.40 -0.06 0.00 0.50 0.00 0.00 46.19 44.09 3ima s LEU 45 CO -0.06 -0.16 -0.01 0.20 -1.32 0.00 0.00 176.35 175.00 3ima s ASN 46 N 1.60 2.29 -0.12 3.68 -0.87 -1.26 -5.08 114.94 115.18 3ima s ASN 46 Ca 0.14 -1.25 -0.03 0.00 -1.57 0.00 0.00 52.86 50.16 3ima s ASN 46 Cb -0.16 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.25 40.97 3ima s ASN 46 CO 0.10 -0.48 -0.02 -1.61 -2.57 0.00 0.00 177.10 172.52 3ima s GLU 47 N -3.82 3.29 0.35 -0.60 2.02 -1.26 -4.74 118.70 113.94 3ima s GLU 47 Ca 0.31 -0.46 0.08 0.00 0.02 0.00 0.00 54.97 54.92 3ima s GLU 47 Cb 0.06 -2.84 -0.05 0.00 0.10 0.00 0.00 34.13 31.40 3ima s GLU 47 CO 0.11 0.49 0.10 0.71 0.02 0.00 0.00 175.26 176.69 3ima s TYR 48 N -0.31 2.63 -0.40 1.61 2.02 -1.26 -0.61 117.35 121.02 3ima s TYR 48 Ca 0.06 -0.44 -0.28 0.00 -0.37 0.00 0.00 57.07 56.04 3ima s TYR 48 Cb -0.12 -1.63 0.02 0.00 -0.40 0.00 0.00 41.96 39.83 3ima s TYR 48 CO 0.02 0.37 1.04 0.45 -1.57 0.00 0.00 175.55 175.86 3ima s SER 49 N -3.80 6.71 0.15 2.29 0.15 -0.51 -4.23 113.70 114.45 3ima s SER 49 Ca 0.37 0.61 -0.03 0.00 0.70 0.00 0.00 55.95 57.60 3ima s SER 49 Cb -0.00 -2.51 -0.02 0.00 -1.71 0.00 0.00 66.02 61.78 3ima s SER 49 CO 0.21 -1.03 1.38 -0.33 1.20 0.00 0.00 173.24 174.67 3ima h GLU 50 N 8.71 0.44 -0.66 5.44 3.07 -1.87 -3.22 114.58 126.49 3ima h GLU 50 Ca -0.22 -0.40 0.06 0.00 -0.50 0.00 0.00 59.36 58.30 3ima h GLU 50 Cb 1.07 0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 29.02 3ima h GLU 50 CO 1.05 1.04 0.36 0.37 -1.40 0.00 0.00 179.01 180.44 3ima h GLN 51 N 0.28 0.64 -0.84 2.33 5.75 -1.86 0.20 115.11 121.62 3ima h GLN 51 Ca -0.05 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.43 3ima h GLN 51 Cb 1.41 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 29.77 3ima h GLN 51 CO 0.14 0.43 0.55 1.49 -2.65 0.00 0.00 178.83 178.79 3ima h GLU 52 N 0.66 1.08 -0.31 1.69 4.81 -1.79 0.91 114.58 121.63 3ima h GLU 52 Ca 0.30 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 3ima h GLU 52 Cb 0.19 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3ima h GLU 52 CO -0.19 0.71 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.65 3ima h LEU 53 N 1.11 0.61 -0.66 1.64 3.38 -1.33 0.18 115.31 120.24 3ima h LEU 53 Ca 0.31 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3ima h LEU 53 Cb -0.09 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 3ima h LEU 53 CO -0.08 0.84 0.35 0.25 0.09 0.00 0.00 178.44 179.89 3ima h LEU 54 N 0.37 0.49 0.12 1.67 5.85 -0.06 -1.68 115.31 122.07 3ima h LEU 54 Ca 0.08 0.04 -0.27 0.00 0.84 0.00 0.00 57.88 58.57 3ima h LEU 54 Cb 0.58 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3ima h LEU 54 CO 0.03 0.31 -1.26 0.44 -0.34 0.00 0.00 178.44 177.62 3ima h ASP 55 N 0.63 0.38 0.00 1.25 3.32 -0.68 -3.40 116.42 117.92 3ima h ASP 55 Ca 0.31 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3ima h ASP 55 Cb 0.25 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3ima h ASP 55 CO -0.21 1.33 -1.95 0.00 -1.72 0.00 0.00 179.24 176.69 3ima s ASP 57 N -4.44 6.18 0.00 0.00 2.15 -0.64 -4.82 116.67 115.11 3ima s ASP 57 Ca -0.07 -0.90 0.28 0.00 0.43 0.00 0.00 52.55 52.29 3ima s ASP 57 Cb 0.14 -2.56 1.55 0.00 -0.30 0.00 0.00 42.92 41.75 3ima s ASP 57 CO 0.90 -1.79 2.01 0.54 -0.17 0.00 0.00 175.17 176.66 3ima n ARG 58 N 9.09 1.15 0.08 4.34 5.12 -1.26 -1.89 116.66 133.29 3ima n ARG 58 Ca 0.22 -0.22 -0.17 0.00 -1.93 0.00 0.00 57.85 55.75 3ima n ARG 58 Cb 0.50 -1.45 -0.09 0.00 -1.16 0.00 0.00 32.46 30.26 3ima n ARG 58 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 3ima h ARG 59 N 0.51 0.47 -7.59 5.56 9.65 -1.96 -3.45 114.38 117.57 3ima h ARG 59 Ca 0.00 -0.59 -0.46 0.00 -1.10 0.00 0.00 59.98 57.83 3ima h ARG 59 Cb 0.11 0.19 0.12 0.00 -1.39 0.00 0.00 29.97 29.00 3ima h ARG 59 CO 0.00 1.23 0.35 -1.12 2.80 0.00 0.00 179.97 183.23 3ima s SER 60 N -7.22 4.01 -0.46 -3.80 0.01 -0.79 -4.92 113.70 100.53 3ima s SER 60 Ca -0.07 0.41 0.04 0.00 1.31 0.00 0.00 55.95 57.64 3ima s SER 60 Cb 0.07 -0.75 0.44 0.00 0.21 0.00 0.00 66.02 66.00 3ima s SER 60 CO 0.90 -2.16 1.45 -1.22 0.41 0.00 0.00 173.24 172.61 3ima n TYR 61 N -3.37 3.02 0.00 2.43 4.01 0.41 -4.98 117.16 118.68 3ima n TYR 61 Ca 0.11 -2.59 0.00 0.00 -0.16 0.00 0.00 57.90 55.26 3ima n TYR 61 Cb 0.60 -0.62 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 3ima n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ima n GLY 62 N -0.70 3.31 0.00 2.72 0.00 -1.25 -0.49 105.19 108.78 3ima n GLY 62 Ca 0.48 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.49 3ima n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ima n ASN 64 N -0.64 4.83 0.00 0.00 3.02 0.35 -1.61 115.26 121.21 3ima n ASN 64 Ca 0.06 -2.62 0.00 0.00 -0.03 0.00 0.00 54.58 51.99 3ima n ASN 64 Cb 0.03 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 3ima n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ima n GLY 65 N 0.75 2.88 1.92 7.41 0.00 -1.15 -4.84 105.19 112.16 3ima n GLY 65 Ca 0.25 -1.92 -0.02 0.00 0.00 0.00 0.00 46.02 44.34 3ima n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ima n GLY 66 N 0.13 0.98 3.14 -0.02 0.00 -1.26 -0.44 105.19 107.72 3ima n GLY 66 Ca 0.00 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 3ima n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ima s TYR 67 N -4.15 2.77 0.51 1.61 2.02 -1.26 -4.79 117.35 114.05 3ima s TYR 67 Ca 0.11 -1.56 0.19 0.00 -0.37 0.00 0.00 57.07 55.44 3ima s TYR 67 Cb -0.01 -1.91 1.27 0.00 -0.40 0.00 0.00 41.96 40.90 3ima s TYR 67 CO 0.03 -0.76 2.06 -1.35 -1.57 0.00 0.00 175.55 173.96 3ima h PRO 68 N 7.84 0.08 -0.02 -1.71 0.11 -2.00 -2.16 132.00 134.14 3ima h PRO 68 Ca -0.43 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.48 3ima h PRO 68 Cb 1.15 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3ima h PRO 68 CO 0.62 0.05 -0.83 0.11 -0.21 0.00 0.00 178.00 177.75 3ima h TRP 69 N 0.08 0.40 -0.03 0.65 5.08 -1.94 -2.08 115.95 118.11 3ima h TRP 69 Ca 0.15 -0.20 -0.15 0.00 1.08 0.00 0.00 58.89 59.77 3ima h TRP 69 Cb 0.49 -0.05 -0.02 0.00 -3.00 0.00 0.00 29.16 26.58 3ima h TRP 69 CO -0.00 0.99 -0.65 0.66 -1.28 0.00 0.00 178.44 178.15 3ima h SER 70 N 0.17 0.14 -0.45 0.11 4.64 -1.83 -2.20 113.55 114.12 3ima h SER 70 Ca -0.04 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.14 3ima h SER 70 Cb 1.43 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.46 3ima h SER 70 CO 0.13 0.76 0.09 0.00 -0.87 0.00 0.00 176.83 176.94 3ima h ALA 71 N 1.24 0.59 -0.11 5.18 0.00 -1.32 -1.23 119.26 123.62 3ima h ALA 71 Ca -0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3ima h ALA 71 Cb 1.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3ima h ALA 71 CO 0.09 0.30 -0.20 -0.07 0.00 0.00 0.00 179.25 179.37 3ima h LEU 72 N 0.60 0.17 -0.34 0.00 3.38 -1.29 -2.49 115.31 115.34 3ima h LEU 72 Ca 0.14 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 3ima h LEU 72 Cb 0.35 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3ima h LEU 72 CO 0.00 0.39 -0.40 1.56 0.09 0.00 0.00 178.44 180.08 3ima h GLN 73 N 0.17 0.87 -0.48 1.13 1.08 -0.95 -2.48 115.11 114.43 3ima h GLN 73 Ca 0.03 -0.48 0.05 0.00 -1.45 0.00 0.00 58.65 56.80 3ima h GLN 73 Cb 0.46 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.87 3ima h GLN 73 CO 0.03 1.13 0.21 1.25 -0.95 0.00 0.00 178.83 180.49 3ima h LEU 74 N 0.66 0.26 -1.30 1.46 5.85 -0.85 0.62 115.31 122.02 3ima h LEU 74 Ca 0.04 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 3ima h LEU 74 Cb 1.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3ima h LEU 74 CO 0.10 0.18 -0.26 0.58 -0.34 0.00 0.00 178.44 178.70 3ima h VAL 75 N 0.41 1.22 -0.00 1.05 2.07 -1.31 0.23 116.25 119.91 3ima h VAL 75 Ca 0.22 -1.05 -0.16 0.00 0.82 0.00 0.00 66.70 66.53 3ima h VAL 75 Cb 0.19 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3ima h VAL 75 CO -0.20 0.31 -0.76 0.00 0.02 0.00 0.00 177.57 176.94 3ima h ALA 76 N 1.61 0.74 0.16 1.67 0.00 -0.82 -1.87 119.26 120.74 3ima h ALA 76 Ca 0.02 -0.69 -0.26 0.00 0.00 0.00 0.00 54.91 53.98 3ima h ALA 76 Cb 0.54 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.23 3ima h ALA 76 CO 0.04 0.94 -1.23 0.37 0.00 0.00 0.00 179.25 179.37 3ima h GLN 77 N 0.01 0.34 0.00 0.00 4.15 -0.44 -3.43 115.11 115.74 3ima h GLN 77 Ca -0.01 -0.58 -0.13 0.00 0.77 0.00 0.00 58.65 58.71 3ima h GLN 77 Cb 1.35 0.21 -0.02 0.00 0.21 0.00 0.00 27.48 29.23 3ima h GLN 77 CO 0.10 1.28 -1.22 0.66 -1.93 0.00 0.00 178.83 177.72 3ima n TYR 78 N -3.93 0.00 0.00 3.99 4.01 0.75 -5.10 117.16 116.88 3ima n TYR 78 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 3ima n TYR 78 Cb 0.93 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 3ima n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ima n GLY 79 N 2.43 0.59 3.28 2.72 0.00 -0.71 -4.90 105.19 108.60 3ima n GLY 79 Ca -0.17 -2.13 -0.14 0.00 0.00 0.00 0.00 46.02 43.59 3ima n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ima s ILE 80 N -0.97 0.05 0.25 -0.61 2.07 0.13 -4.36 121.20 117.75 3ima s ILE 80 Ca 0.00 -0.41 0.05 0.00 -1.41 0.00 0.00 60.65 58.88 3ima s ILE 80 Cb 0.00 -0.68 -0.03 0.00 0.13 0.00 0.00 42.46 41.88 3ima s ILE 80 CO 0.00 -0.22 0.37 -1.00 -1.91 0.00 0.00 174.94 172.18 3ima s HIS 81 N -1.35 3.44 0.64 3.50 3.76 -1.26 -0.10 115.29 123.92 3ima s HIS 81 Ca -0.13 -0.01 -0.18 0.00 -0.15 0.00 0.00 55.06 54.59 3ima s HIS 81 Cb -0.04 -1.60 -0.02 0.00 1.11 0.00 0.00 32.58 32.03 3ima s HIS 81 CO 0.05 0.41 1.26 0.71 -0.85 0.00 0.00 174.74 176.32 3ima s TYR 82 N -2.00 2.18 0.31 1.40 2.02 -1.26 -1.43 117.35 118.57 3ima s TYR 82 Ca 0.35 1.50 -0.01 0.00 -0.37 0.00 0.00 57.07 58.54 3ima s TYR 82 Cb -0.09 -3.61 0.50 0.00 -0.40 0.00 0.00 41.96 38.35 3ima s TYR 82 CO 0.29 -2.68 1.98 -0.09 -1.57 0.00 0.00 175.55 173.49 3ima h ARG 83 N 0.60 1.02 0.00 -0.62 2.43 -1.03 -1.99 114.38 114.78 3ima h ARG 83 Ca -0.51 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 58.54 3ima h ARG 83 Cb 1.32 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 3ima h ARG 83 CO 0.54 0.67 -0.32 -2.95 -1.51 0.00 0.00 179.97 176.40 3ima h ASN 84 N 1.05 0.00 1.44 -3.80 -1.07 -1.91 -1.14 115.58 110.15 3ima h ASN 84 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.65 3ima h ASN 84 Cb -0.12 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.13 3ima h ASN 84 CO -0.06 0.32 -0.22 0.71 0.07 0.00 0.00 177.43 178.26 3ima h THR 85 N 0.00 0.00 -1.37 6.14 1.35 -1.73 -3.37 112.91 113.92 3ima h THR 85 Ca -0.00 -0.65 -0.43 0.00 -0.55 0.00 0.00 66.41 64.77 3ima h THR 85 Cb 0.74 1.52 -0.30 0.00 -1.73 0.00 0.00 68.15 68.38 3ima h THR 85 CO 0.04 0.00 -0.87 0.00 -0.25 0.00 0.00 175.52 174.44 3ima n TYR 86 N -2.47 -1.56 -1.47 4.73 4.19 -0.98 -5.02 117.16 114.58 3ima n TYR 86 Ca 0.04 -2.84 -0.34 0.00 3.31 0.00 0.00 57.90 58.07 3ima n TYR 86 Cb 0.47 0.42 0.09 0.00 0.49 0.00 0.00 39.34 40.80 3ima n TYR 86 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3ima s PRO 87 N -0.34 2.22 0.08 2.98 0.04 -0.47 -4.50 135.00 135.01 3ima s PRO 87 Ca 0.34 1.68 -0.31 0.00 0.04 0.00 0.00 61.00 62.75 3ima s PRO 87 Cb 0.16 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.79 3ima s PRO 87 CO -0.16 -1.75 1.22 -0.47 0.04 0.00 0.00 177.00 175.88 3ima s TYR 88 N -2.08 3.42 -0.55 0.56 5.04 -1.26 -4.77 117.35 117.71 3ima s TYR 88 Ca 0.73 1.28 0.09 0.00 -2.44 0.00 0.00 57.07 56.72 3ima s TYR 88 Cb -0.27 -3.45 -0.06 0.00 0.35 0.00 0.00 41.96 38.52 3ima s TYR 88 CO 0.45 -1.39 0.45 0.39 -1.34 0.00 0.00 175.55 174.10 3ima n GLU 89 N 3.75 3.47 -1.07 4.97 1.02 -1.26 -5.00 120.64 126.52 3ima n GLU 89 Ca 0.09 -0.19 -0.02 0.00 -0.02 0.00 0.00 57.16 57.01 3ima n GLU 89 Cb 0.46 -0.96 -0.01 0.00 -0.02 0.00 0.00 31.44 30.91 3ima n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ima n GLY 90 N 1.09 0.50 3.42 0.62 0.00 -1.26 -4.97 105.19 104.59 3ima n GLY 90 Ca 0.02 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 3ima n GLY 90 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ima s VAL 91 N -1.81 0.01 0.12 1.61 -7.23 -1.26 -4.41 120.40 107.44 3ima s VAL 91 Ca 0.00 -0.11 -0.30 0.00 -1.81 0.00 0.00 61.98 59.76 3ima s VAL 91 Cb 0.00 -0.79 -0.06 0.00 0.56 0.00 0.00 36.38 36.09 3ima s VAL 91 CO 0.00 -0.06 0.97 -1.58 -0.31 0.00 0.00 175.10 174.12 3ima s GLN 92 N -0.48 4.70 0.10 4.82 0.74 -1.26 -4.98 119.66 123.30 3ima s GLN 92 Ca -0.06 1.47 0.00 0.00 0.05 0.00 0.00 55.36 56.82 3ima s GLN 92 Cb -0.03 -3.37 -0.00 0.00 1.10 0.00 0.00 33.01 30.71 3ima s GLN 92 CO 0.04 0.22 0.01 0.54 -0.55 0.00 0.00 175.29 175.55 3ima n ARG 93 N 2.71 1.37 -1.91 1.67 5.12 -1.26 -5.05 116.66 119.30 3ima n ARG 93 Ca 0.02 -0.77 -0.32 0.00 -1.93 0.00 0.00 57.85 54.85 3ima n ARG 93 Cb 0.49 0.29 0.02 0.00 -1.16 0.00 0.00 32.46 32.10 3ima n ARG 93 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 3ima s TYR 94 N -1.59 3.27 -0.02 -1.55 1.13 -1.26 -4.62 117.35 112.71 3ima s TYR 94 Ca 0.02 1.42 -0.30 0.00 -1.41 0.00 0.00 57.07 56.80 3ima s TYR 94 Cb 0.00 -2.85 -0.06 0.00 -1.10 0.00 0.00 41.96 37.94 3ima s TYR 94 CO 0.01 -0.91 1.62 0.00 -2.51 0.00 0.00 175.55 173.77 3ima n ARG 96 N 6.52 2.78 -0.16 0.00 1.74 -1.26 -4.78 116.66 121.51 3ima n ARG 96 Ca 0.16 -2.06 -0.02 0.00 -0.77 0.00 0.00 57.85 55.16 3ima n ARG 96 Cb 0.42 -1.30 0.06 0.00 -1.02 0.00 0.00 32.46 30.63 3ima n ARG 96 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3ima h SER 97 N 1.23 -0.13 0.55 0.55 0.02 -1.94 -2.02 113.55 111.81 3ima h SER 97 Ca 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3ima h SER 97 Cb 0.80 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.52 3ima h SER 97 CO 0.03 -0.04 0.00 -1.14 -1.14 0.00 0.00 176.83 174.55 3ima n ARG 98 N -5.19 0.03 0.05 3.45 0.63 -1.26 -2.47 116.66 111.90 3ima n ARG 98 Ca 0.06 0.20 0.12 0.00 -0.92 0.00 0.00 57.85 57.31 3ima n ARG 98 Cb 0.26 -1.50 0.19 0.00 0.45 0.00 0.00 32.46 31.87 3ima n ARG 98 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3ima n GLU 99 N -1.48 0.23 -0.14 -0.14 1.02 -0.76 -4.01 120.64 115.36 3ima n GLU 99 Ca 0.04 0.07 0.11 0.00 -0.02 0.00 0.00 57.16 57.36 3ima n GLU 99 Cb 0.19 -1.64 0.29 0.00 -0.02 0.00 0.00 31.44 30.26 3ima n GLU 99 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ima n LYS 100 N -1.98 2.08 0.00 3.49 4.76 -1.03 -5.07 118.16 120.41 3ima n LYS 100 Ca 0.04 -1.63 0.00 0.00 -2.87 0.00 0.00 58.31 53.85 3ima n LYS 100 Cb 0.42 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 3ima n LYS 100 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ima n GLY 101 N 1.29 -1.88 3.50 0.72 0.00 -1.26 -4.89 105.19 102.68 3ima n GLY 101 Ca 0.17 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 3ima n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ima n PRO 102 N -0.11 0.81 -1.11 1.61 -0.02 -1.26 -4.86 135.00 130.06 3ima n PRO 102 Ca 0.00 0.29 -0.31 0.00 -2.02 0.00 0.00 63.50 61.46 3ima n PRO 102 Cb 0.00 -1.63 0.11 0.00 -0.02 0.00 0.00 33.50 31.96 3ima n PRO 102 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3ima s TYR 103 N -1.33 2.32 -0.11 6.00 2.02 -1.26 -4.94 117.35 120.05 3ima s TYR 103 Ca 0.63 1.61 -0.04 0.00 -0.37 0.00 0.00 57.07 58.90 3ima s TYR 103 Cb -0.63 -3.13 -0.26 0.00 -0.40 0.00 0.00 41.96 37.54 3ima s TYR 103 CO 0.58 -2.08 0.41 0.00 -1.57 0.00 0.00 175.55 172.89 3ima n ALA 104 N -3.72 0.98 -3.07 3.71 0.00 0.86 -4.95 120.51 114.31 3ima n ALA 104 Ca 0.10 -0.62 -0.11 0.00 0.00 0.00 0.00 53.44 52.81 3ima n ALA 104 Cb 0.53 -0.70 -0.10 0.00 0.00 0.00 0.00 19.45 19.18 3ima n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ima s ALA 105 N -2.56 -0.35 -0.02 0.00 0.00 -0.69 -4.99 121.76 113.15 3ima s ALA 105 Ca -0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 3ima s ALA 105 Cb 0.07 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.33 3ima s ALA 105 CO 0.78 -0.23 0.03 0.21 0.00 0.00 0.00 175.76 176.55 3ima s LYS 106 N -1.56 0.02 0.57 0.00 2.20 -1.26 -0.70 119.74 119.01 3ima s LYS 106 Ca -0.13 0.09 0.09 0.00 -0.36 0.00 0.00 55.97 55.66 3ima s LYS 106 Cb -0.06 -0.05 0.08 0.00 -1.51 0.00 0.00 37.83 36.29 3ima s LYS 106 CO 0.01 -0.05 0.76 0.95 -0.36 0.00 0.00 175.35 176.67 3ima s THR 107 N 0.30 2.12 -0.14 3.43 -4.23 -1.20 -4.99 115.64 110.92 3ima s THR 107 Ca -0.02 -1.03 0.09 0.00 -1.18 0.00 0.00 61.69 59.54 3ima s THR 107 Cb -0.03 -2.15 0.17 0.00 1.34 0.00 0.00 72.50 71.82 3ima s THR 107 CO -0.01 0.00 1.11 0.47 -0.54 0.00 0.00 174.62 175.65 3ima n ASP 108 N -2.20 2.35 0.00 3.99 8.00 0.11 -4.46 116.55 124.33 3ima n ASP 108 Ca 0.14 -2.49 0.00 0.00 0.71 0.00 0.00 54.79 53.16 3ima n ASP 108 Cb 0.62 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 3ima n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ima n GLY 109 N -0.77 1.36 2.91 0.44 0.00 -1.17 -4.89 105.19 103.07 3ima n GLY 109 Ca 0.09 -1.15 -0.19 0.00 0.00 0.00 0.00 46.02 44.76 3ima n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ima s VAL 110 N -2.00 0.54 0.04 1.61 1.01 -1.26 -0.31 120.40 120.03 3ima s VAL 110 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 61.90 3ima s VAL 110 Cb 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 3ima s VAL 110 CO 0.00 0.21 -0.23 -0.13 0.00 0.00 0.00 175.10 174.95 3ima s ARG 111 N 0.66 1.58 -0.13 2.72 1.81 0.12 -4.95 118.95 120.75 3ima s ARG 111 Ca -0.09 -1.01 -0.05 0.00 -1.72 0.00 0.00 55.73 52.87 3ima s ARG 111 Cb -0.12 -1.72 -0.04 0.00 -0.45 0.00 0.00 34.95 32.63 3ima s ARG 111 CO 0.00 0.44 0.04 -1.14 -0.68 0.00 0.00 175.30 173.96 3ima s GLN 112 N -1.17 3.49 0.47 3.54 0.74 -1.26 -0.34 119.66 125.13 3ima s GLN 112 Ca 0.09 -0.35 -0.20 0.00 0.05 0.00 0.00 55.36 54.95 3ima s GLN 112 Cb -0.09 -3.02 -0.09 0.00 1.10 0.00 0.00 33.01 30.91 3ima s GLN 112 CO 0.02 0.51 0.99 0.08 -0.55 0.00 0.00 175.29 176.34 3ima s VAL 113 N -0.31 4.14 0.23 1.34 1.01 -0.01 -4.96 120.40 121.84 3ima s VAL 113 Ca 0.08 1.27 -0.31 0.00 0.00 0.00 0.00 61.98 63.02 3ima s VAL 113 Cb -0.12 -3.54 -0.12 0.00 0.00 0.00 0.00 36.38 32.60 3ima s VAL 113 CO 0.02 -0.35 1.66 1.67 0.00 0.00 0.00 175.10 178.10 3ima n GLN 114 N -0.97 2.68 -2.14 2.72 7.27 -1.26 -4.65 117.38 121.02 3ima n GLN 114 Ca 0.08 0.96 -0.32 0.00 0.07 0.00 0.00 57.00 57.79 3ima n GLN 114 Cb 0.53 -2.78 -0.01 0.00 2.41 0.00 0.00 30.24 30.40 3ima n GLN 114 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3ima s PRO 115 N 0.54 3.59 -1.46 3.69 0.04 -1.26 -4.13 135.00 136.01 3ima s PRO 115 Ca 0.71 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 3ima s PRO 115 Cb -0.52 -2.08 0.06 0.00 0.04 0.00 0.00 34.50 32.00 3ima s PRO 115 CO 0.39 -0.57 1.00 0.66 0.04 0.00 0.00 177.00 178.51 3ima n TYR 116 N -2.00 -2.39 -3.49 0.56 4.01 -0.05 -4.97 117.16 108.82 3ima n TYR 116 Ca 0.07 0.93 -0.21 0.00 -0.16 0.00 0.00 57.90 58.53 3ima n TYR 116 Cb 0.54 -4.29 -0.13 0.00 -0.31 0.00 0.00 39.34 35.14 3ima n TYR 116 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3ima s ASN 117 N -3.46 1.88 0.29 7.72 3.84 -1.26 -4.82 114.94 119.14 3ima s ASN 117 Ca 0.56 -0.54 -0.02 0.00 0.21 0.00 0.00 52.86 53.07 3ima s ASN 117 Cb -0.27 0.22 0.45 0.00 -0.55 0.00 0.00 41.25 41.10 3ima s ASN 117 CO 0.80 -0.36 1.95 -0.08 -2.79 0.00 0.00 177.10 176.62 3ima h GLU 118 N 8.33 1.09 -0.69 0.43 4.81 -1.92 -2.93 114.58 123.71 3ima h GLU 118 Ca -0.16 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 58.95 3ima h GLU 118 Cb 1.11 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 3ima h GLU 118 CO 0.32 0.72 0.22 0.78 -0.73 0.00 0.00 179.01 180.32 3ima h GLY 119 N 1.12 1.14 0.94 1.92 0.00 -1.97 -2.45 103.07 103.78 3ima h GLY 119 Ca 0.33 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3ima h GLY 119 CO -0.09 0.63 0.06 0.00 0.00 0.00 0.00 176.54 177.14 3ima h ALA 120 N 1.10 0.14 -0.07 3.60 0.00 -1.85 -2.54 119.26 119.64 3ima h ALA 120 Ca 0.22 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3ima h ALA 120 Cb 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3ima h ALA 120 CO -0.01 -0.33 -0.03 1.25 0.00 0.00 0.00 179.25 180.13 3ima h LEU 121 N 0.09 -0.10 -0.85 0.00 5.85 -1.43 -2.16 115.31 116.72 3ima h LEU 121 Ca 0.04 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.90 3ima h LEU 121 Cb 0.06 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 3ima h LEU 121 CO -0.01 -0.04 0.48 -0.07 -0.34 0.00 0.00 178.44 178.46 3ima h LEU 122 N -0.02 0.65 -0.69 2.25 3.38 -1.41 -0.27 115.31 119.20 3ima h LEU 122 Ca 0.04 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3ima h LEU 122 Cb 0.08 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3ima h LEU 122 CO -0.09 0.34 0.24 0.22 0.09 0.00 0.00 178.44 179.25 3ima h TYR 123 N 0.75 1.09 -0.51 1.13 3.20 -0.99 -1.07 116.97 120.58 3ima h TYR 123 Ca 0.43 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 3ima h TYR 123 Cb 0.48 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3ima h TYR 123 CO -0.06 0.86 0.07 0.77 -1.64 0.00 0.00 178.16 178.16 3ima h SER 124 N 1.01 0.82 -0.98 -2.11 0.02 -0.55 -2.60 113.55 109.15 3ima h SER 124 Ca 0.23 -0.27 0.06 0.00 -0.84 0.00 0.00 61.79 60.97 3ima h SER 124 Cb 0.26 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 3ima h SER 124 CO -0.01 0.88 0.63 0.40 -1.14 0.00 0.00 176.83 177.58 3ima h ILE 125 N 0.73 1.11 -0.09 3.27 2.04 -0.82 0.26 117.51 124.00 3ima h ILE 125 Ca 0.15 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.64 3ima h ILE 125 Cb 0.41 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3ima h ILE 125 CO 0.01 0.21 0.13 0.00 0.00 0.00 0.00 178.15 178.51 3ima h ALA 126 N 1.43 1.54 0.02 1.87 0.00 -0.82 -2.54 119.26 120.76 3ima h ALA 126 Ca 0.41 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.95 3ima h ALA 126 Cb 0.12 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3ima h ALA 126 CO -0.16 -0.18 -2.30 0.09 0.00 0.00 0.00 179.25 176.71 3ima n ASN 127 N -3.58 1.11 -3.61 0.00 4.13 0.73 -5.05 115.26 108.99 3ima n ASN 127 Ca -0.01 0.02 -0.03 0.00 1.68 0.00 0.00 54.58 56.24 3ima n ASN 127 Cb 0.23 0.11 -0.01 0.00 -1.54 0.00 0.00 39.78 38.57 3ima n ASN 127 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ima s GLN 128 N -2.52 0.64 0.50 3.52 -2.07 -0.11 -5.06 119.66 114.56 3ima s GLN 128 Ca -0.20 -0.30 -0.23 0.00 -1.82 0.00 0.00 55.36 52.80 3ima s GLN 128 Cb 0.07 0.25 -0.07 0.00 -1.09 0.00 0.00 33.01 32.18 3ima s GLN 128 CO 0.73 -0.29 1.40 -2.14 -1.32 0.00 0.00 175.29 173.68 3ima s PRO 129 N -2.77 3.40 0.03 9.60 0.02 -1.26 -3.84 135.00 140.19 3ima s PRO 129 Ca 0.10 2.34 0.06 0.00 0.02 0.00 0.00 61.00 63.52 3ima s PRO 129 Cb 0.01 -2.46 -0.02 0.00 0.02 0.00 0.00 34.50 32.05 3ima s PRO 129 CO -0.04 -1.02 -0.17 0.08 -0.33 0.00 0.00 177.00 175.53 3ima s VAL 130 N -1.25 1.32 -0.14 3.83 1.01 -0.51 -4.76 120.40 119.91 3ima s VAL 130 Ca 0.66 -1.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.38 3ima s VAL 130 Cb -0.42 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 3ima s VAL 130 CO 0.53 0.12 0.75 -0.55 0.00 0.00 0.00 175.10 175.95 3ima s SER 131 N -1.04 6.93 0.10 3.32 0.15 -0.07 -0.87 113.70 122.22 3ima s SER 131 Ca 0.04 1.13 0.03 0.00 0.70 0.00 0.00 55.95 57.85 3ima s SER 131 Cb -0.08 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 3ima s SER 131 CO 0.01 -0.28 -0.08 0.68 1.20 0.00 0.00 173.24 174.78 3ima s VAL 132 N 1.62 0.82 0.35 4.45 -7.23 -0.05 -0.95 120.40 119.42 3ima s VAL 132 Ca 0.37 -1.86 0.07 0.00 -1.81 0.00 0.00 61.98 58.75 3ima s VAL 132 Cb -0.17 -1.59 -0.07 0.00 0.56 0.00 0.00 36.38 35.11 3ima s VAL 132 CO 0.14 -0.76 -0.03 0.68 -0.31 0.00 0.00 175.10 174.82 3ima s VAL 133 N -3.21 1.93 0.00 1.32 -7.23 -1.23 -0.50 120.40 111.47 3ima s VAL 133 Ca 0.10 -2.10 -0.29 0.00 -1.81 0.00 0.00 61.98 57.89 3ima s VAL 133 Cb 0.02 -2.75 0.11 0.00 0.56 0.00 0.00 36.38 34.32 3ima s VAL 133 CO -0.03 -0.12 1.26 -1.48 -0.31 0.00 0.00 175.10 174.42 3ima s LEU 134 N -3.60 -0.04 -0.43 1.32 0.05 -0.64 -3.92 118.68 111.42 3ima s LEU 134 Ca 0.33 -0.19 -0.21 0.00 0.05 0.00 0.00 54.13 54.11 3ima s LEU 134 Cb 0.06 1.43 0.02 0.00 -2.05 0.00 0.00 46.19 45.65 3ima s LEU 134 CO 0.16 -0.36 0.68 -0.70 -0.55 0.00 0.00 176.35 175.58 3ima s GLU 135 N -2.33 3.38 0.00 1.48 2.12 -0.17 -0.29 118.70 122.89 3ima s GLU 135 Ca 0.19 -0.24 0.09 0.00 0.36 0.00 0.00 54.97 55.37 3ima s GLU 135 Cb 0.03 -3.92 0.05 0.00 0.26 0.00 0.00 34.13 30.54 3ima s GLU 135 CO -0.02 -0.99 0.71 0.00 -0.54 0.00 0.00 175.26 174.42 3ima n ALA 136 N 6.33 2.57 0.33 6.30 0.00 -1.26 -4.60 120.51 130.18 3ima n ALA 136 Ca -0.01 -0.52 0.14 0.00 0.00 0.00 0.00 53.44 53.05 3ima n ALA 136 Cb 0.48 -0.30 0.60 0.00 0.00 0.00 0.00 19.45 20.23 3ima n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ima h ALA 137 N 1.64 1.00 -2.87 0.00 0.00 -1.92 -3.40 119.26 113.70 3ima h ALA 137 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3ima h ALA 137 Cb 0.34 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.20 3ima h ALA 137 CO 0.00 0.00 0.62 0.20 0.00 0.00 0.00 179.25 180.07 3ima s GLY 138 N -3.72 2.98 0.37 0.00 0.00 -1.26 -4.93 107.32 100.75 3ima s GLY 138 Ca 0.02 1.23 0.10 0.00 0.00 0.00 0.00 44.72 46.07 3ima s GLY 138 CO 0.39 1.86 1.87 1.70 0.00 0.00 0.00 173.10 178.92 3ima h LYS 139 N 3.18 0.62 -0.44 2.90 3.11 -1.92 -1.98 116.57 122.05 3ima h LYS 139 Ca -0.49 -0.04 -0.12 0.00 -2.81 0.00 0.00 60.65 57.19 3ima h LYS 139 Cb 1.23 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 32.31 3ima h LYS 139 CO 0.65 0.41 -0.20 -0.44 -2.81 0.00 0.00 179.45 177.05 3ima h ASP 140 N 0.64 0.93 -0.79 4.20 3.32 -1.92 -2.27 116.42 120.53 3ima h ASP 140 Ca 0.45 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3ima h ASP 140 Cb 0.79 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 3ima h ASP 140 CO -0.20 1.13 0.44 0.15 -1.72 0.00 0.00 179.24 179.04 3ima h PHE 141 N 0.74 1.09 -0.78 4.55 3.04 -1.62 -1.28 116.94 122.68 3ima h PHE 141 Ca 0.10 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.01 3ima h PHE 141 Cb 0.77 -0.35 -0.04 0.00 2.56 0.00 0.00 35.95 38.89 3ima h PHE 141 CO 0.06 0.76 0.42 1.96 -2.02 0.00 0.00 178.31 179.49 3ima h GLN 142 N 1.12 1.09 -0.41 1.11 1.08 -1.28 -2.69 115.11 115.13 3ima h GLN 142 Ca 0.28 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 3ima h GLN 142 Cb 0.02 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.24 3ima h GLN 142 CO -0.05 0.81 0.00 1.28 -0.95 0.00 0.00 178.83 179.92 3ima n LEU 143 N -4.43 1.94 -4.76 1.46 4.77 -0.71 -4.82 117.00 110.44 3ima n LEU 143 Ca 0.07 -0.97 -0.41 0.00 -0.03 0.00 0.00 56.01 54.67 3ima n LEU 143 Cb 0.10 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 3ima n LEU 143 CO 0.38 0.42 1.16 -0.47 -1.33 0.00 0.00 177.39 177.56 3ima s TYR 144 N -1.61 2.73 0.00 -1.77 5.04 -0.56 -4.90 117.35 116.28 3ima s TYR 144 Ca 0.22 1.03 0.00 0.00 -2.44 0.00 0.00 57.07 55.87 3ima s TYR 144 Cb 0.12 -3.99 0.00 0.00 0.35 0.00 0.00 41.96 38.44 3ima s TYR 144 CO 0.13 -3.09 0.01 0.54 -1.34 0.00 0.00 175.55 171.79 3ima n ARG 145 N 1.32 4.79 0.00 4.97 5.12 -1.26 -2.56 116.66 129.04 3ima n ARG 145 Ca 0.04 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 3ima n ARG 145 Cb 0.39 -0.36 0.00 0.00 -1.16 0.00 0.00 32.46 31.33 3ima n ARG 145 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ima n GLY 146 N 0.69 0.23 7.00 -0.13 0.00 -1.26 -4.08 105.19 107.63 3ima n GLY 146 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3ima n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ima n GLY 147 N -1.47 -1.14 3.67 -0.02 0.00 -1.26 -4.74 105.19 100.22 3ima n GLY 147 Ca 0.00 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 3ima n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ima s ILE 148 N 0.00 5.07 -0.20 -0.61 -1.09 -1.26 -4.12 121.20 118.99 3ima s ILE 148 Ca 0.00 1.09 -0.19 0.00 -2.23 0.00 0.00 60.65 59.32 3ima s ILE 148 Cb 0.00 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 3ima s ILE 148 CO 0.00 0.16 0.53 0.12 -1.23 0.00 0.00 174.94 174.52 3ima s PHE 149 N 1.66 3.38 -0.42 3.97 5.36 0.12 -4.89 117.98 127.16 3ima s PHE 149 Ca 0.27 0.80 0.03 0.00 -0.96 0.00 0.00 56.93 57.07 3ima s PHE 149 Cb -0.16 -2.69 0.02 0.00 -0.34 0.00 0.00 43.02 39.86 3ima s PHE 149 CO 0.10 -0.11 0.58 1.33 -1.46 0.00 0.00 175.22 175.67 3ima n VAL 150 N 4.54 0.00 0.00 3.12 0.24 -1.26 0.05 118.33 125.03 3ima n VAL 150 Ca -0.04 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 3ima n VAL 150 Cb 0.50 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 3ima n VAL 150 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ima n GLY 151 N 0.25 0.02 3.65 7.63 0.00 -1.26 -4.75 105.19 110.73 3ima n GLY 151 Ca 0.02 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 3ima n GLY 151 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ima s PRO 152 N 0.00 0.82 0.00 1.61 0.02 -1.26 -4.93 135.00 131.25 3ima s PRO 152 Ca 0.00 1.43 0.00 0.00 0.02 0.00 0.00 61.00 62.45 3ima s PRO 152 Cb 0.00 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.81 3ima s PRO 152 CO 0.00 -2.73 0.00 0.00 -0.33 0.00 0.00 177.00 173.94 3ima n GLY 154 N -0.20 -0.01 0.20 0.00 0.00 -1.26 -4.40 105.19 99.52 3ima n GLY 154 Ca 0.00 -1.79 0.08 0.00 0.00 0.00 0.00 46.02 44.31 3ima n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ima n ASN 155 N -1.50 2.55 -4.43 1.61 3.02 -1.26 -3.42 115.26 111.84 3ima n ASN 155 Ca 0.00 -2.89 -0.42 0.00 -0.03 0.00 0.00 54.58 51.24 3ima n ASN 155 Cb 0.00 -0.38 -0.00 0.00 -0.61 0.00 0.00 39.78 38.79 3ima n ASN 155 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ima n LYS 156 N -1.11 3.06 -1.58 3.52 5.02 -1.26 -4.56 118.16 121.26 3ima n LYS 156 Ca 0.14 -3.12 -0.43 0.00 -2.02 0.00 0.00 58.31 52.89 3ima n LYS 156 Cb 0.62 -3.47 0.00 0.00 -0.02 0.00 0.00 35.03 32.16 3ima n LYS 156 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3ima n VAL 157 N 6.24 2.18 -1.58 -0.18 0.24 -1.26 -4.36 118.33 119.61 3ima n VAL 157 Ca 0.49 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3ima n VAL 157 Cb 0.45 -0.99 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 3ima n VAL 157 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3ima n ASP 158 N 0.88 0.00 -3.81 -1.34 5.68 0.60 -4.83 116.55 113.73 3ima n ASP 158 Ca 0.10 -0.94 -0.15 0.00 -0.50 0.00 0.00 54.79 53.30 3ima n ASP 158 Cb 0.37 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.19 3ima n ASP 158 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3ima s HIS 159 N 0.00 0.11 -0.14 2.11 5.04 -0.56 -4.90 115.29 116.95 3ima s HIS 159 Ca 0.00 0.06 -0.05 0.00 -1.54 0.00 0.00 55.06 53.53 3ima s HIS 159 Cb 0.00 -0.23 -0.04 0.00 0.04 0.00 0.00 32.58 32.35 3ima s HIS 159 CO 0.00 -0.08 0.04 0.00 -2.34 0.00 0.00 174.74 172.37 3ima s ALA 160 N 0.77 3.39 0.13 1.58 0.00 -1.26 -1.62 121.76 124.76 3ima s ALA 160 Ca -0.07 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.16 3ima s ALA 160 Cb -0.10 -1.74 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 3ima s ALA 160 CO -0.02 0.38 0.13 1.33 0.00 0.00 0.00 175.76 177.58 3ima n VAL 161 N 2.86 0.00 -4.43 0.00 0.24 0.34 -4.50 118.33 112.84 3ima n VAL 161 Ca -0.18 -0.89 -0.25 0.00 -2.04 0.00 0.00 64.34 60.98 3ima n VAL 161 Cb 0.53 0.46 -0.17 0.00 -1.47 0.00 0.00 33.84 33.20 3ima n VAL 161 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ima s ALA 162 N -2.41 1.30 -0.27 2.33 0.00 -1.17 -0.87 121.76 120.68 3ima s ALA 162 Ca 0.15 -0.46 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 3ima s ALA 162 Cb 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 3ima s ALA 162 CO 0.10 -0.02 0.77 0.00 0.00 0.00 0.00 175.76 176.61 3ima s ALA 163 N 0.91 3.59 -0.56 0.00 0.00 -0.05 0.06 121.76 125.72 3ima s ALA 163 Ca -0.10 -0.32 0.14 0.00 0.00 0.00 0.00 51.96 51.68 3ima s ALA 163 Cb -0.15 -3.23 0.44 0.00 0.00 0.00 0.00 23.12 20.18 3ima s ALA 163 CO 0.01 -1.01 1.36 1.33 0.00 0.00 0.00 175.76 177.45 3ima n VAL 164 N 5.36 1.70 -2.85 0.00 0.24 0.38 -1.43 118.33 121.73 3ima n VAL 164 Ca 0.03 -1.45 0.00 0.00 -2.04 0.00 0.00 64.34 60.88 3ima n VAL 164 Cb 0.48 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 3ima n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ima n GLY 165 N 0.04 -1.41 3.68 7.63 0.00 -1.18 -1.29 105.19 112.66 3ima n GLY 165 Ca 0.17 -1.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.17 3ima n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ima s TYR 166 N -2.83 -0.08 0.11 1.61 -0.85 -0.00 -0.29 117.35 115.01 3ima s TYR 166 Ca 0.00 -0.11 0.02 0.00 -0.52 0.00 0.00 57.07 56.46 3ima s TYR 166 Cb 0.00 0.59 -0.01 0.00 0.38 0.00 0.00 41.96 42.92 3ima s TYR 166 CO 0.00 -0.52 0.10 0.41 -1.52 0.00 0.00 175.55 174.02 3ima n GLY 167 N -0.48 3.55 0.37 5.49 0.00 0.23 -1.72 105.19 112.63 3ima n GLY 167 Ca -0.07 -1.69 0.03 0.00 0.00 0.00 0.00 46.02 44.28 3ima n GLY 167 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ima h PRO 168 N 0.00 1.12 0.00 1.61 0.11 -1.98 -3.19 132.00 129.67 3ima h PRO 168 Ca -0.08 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 3ima h PRO 168 Cb 0.38 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3ima h PRO 168 CO 0.11 0.74 -0.20 0.27 -0.21 0.00 0.00 178.00 178.71 3ima n ASN 169 N -4.50 1.94 -3.73 -2.05 6.94 -1.26 -4.94 115.26 107.65 3ima n ASN 169 Ca 0.15 -3.15 -0.08 0.00 -0.02 0.00 0.00 54.58 51.48 3ima n ASN 169 Cb 0.20 -0.43 -0.02 0.00 -2.36 0.00 0.00 39.78 37.17 3ima n ASN 169 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3ima s TYR 170 N -2.61 -0.29 -0.11 -2.53 -0.85 -1.21 -2.22 117.35 107.54 3ima s TYR 170 Ca 0.31 -0.10 0.02 0.00 -0.52 0.00 0.00 57.07 56.78 3ima s TYR 170 Cb 0.28 0.67 0.01 0.00 0.38 0.00 0.00 41.96 43.30 3ima s TYR 170 CO -0.00 -1.13 -0.17 0.42 -1.52 0.00 0.00 175.55 173.15 3ima s ILE 171 N -3.87 1.64 -0.26 -3.49 1.01 -0.65 0.77 121.20 116.36 3ima s ILE 171 Ca 0.08 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.70 3ima s ILE 171 Cb -0.05 -1.47 -0.00 0.00 0.01 0.00 0.00 42.46 40.95 3ima s ILE 171 CO 0.01 0.47 1.25 -0.22 0.00 0.00 0.00 174.94 176.45 3ima s LEU 172 N 0.82 3.99 -0.10 2.97 2.96 0.60 -2.75 118.68 127.17 3ima s LEU 172 Ca -0.10 1.35 0.01 0.00 -0.22 0.00 0.00 54.13 55.17 3ima s LEU 172 Cb -0.16 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 3ima s LEU 172 CO 0.01 -0.93 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.33 3ima s ILE 173 N 3.95 2.99 -0.32 6.68 -1.09 -0.56 -0.47 121.20 132.38 3ima s ILE 173 Ca 0.54 -0.70 -0.13 0.00 -2.23 0.00 0.00 60.65 58.12 3ima s ILE 173 Cb -0.18 -2.22 -0.03 0.00 -1.58 0.00 0.00 42.46 38.45 3ima s ILE 173 CO 0.18 0.55 0.26 -0.75 -1.23 0.00 0.00 174.94 173.95 3ima s LYS 174 N 0.04 3.66 0.46 2.79 2.20 0.11 -1.41 119.74 127.59 3ima s LYS 174 Ca -0.05 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.11 3ima s LYS 174 Cb -0.14 -3.76 0.01 0.00 -1.51 0.00 0.00 37.83 32.42 3ima s LYS 174 CO 0.04 -0.38 0.66 1.21 -0.36 0.00 0.00 175.35 176.53 3ima s ASN 175 N 1.73 5.68 -0.34 1.43 3.84 -0.14 -3.03 114.94 124.12 3ima s ASN 175 Ca 0.08 0.08 0.07 0.00 0.21 0.00 0.00 52.86 53.29 3ima s ASN 175 Cb -0.17 -1.24 0.47 0.00 -0.55 0.00 0.00 41.25 39.76 3ima s ASN 175 CO 0.11 -0.79 1.39 -1.54 -2.79 0.00 0.00 177.10 173.48 3ima n SER 176 N -2.07 4.33 -1.11 -4.21 3.41 -1.26 -4.45 113.62 108.27 3ima n SER 176 Ca 0.03 -3.79 0.03 0.00 -0.26 0.00 0.00 58.87 54.88 3ima n SER 176 Cb 0.58 -0.53 0.25 0.00 -0.26 0.00 0.00 64.21 64.25 3ima n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3ima n TRP 177 N -0.89 1.18 0.00 7.33 8.01 -1.20 -0.52 117.44 131.34 3ima n TRP 177 Ca 0.41 -1.14 0.00 0.00 -1.31 0.00 0.00 57.50 55.46 3ima n TRP 177 Cb 0.91 -0.42 0.00 0.00 -2.01 0.00 0.00 31.31 29.79 3ima n TRP 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ima n GLY 178 N -0.67 -1.44 0.00 6.99 0.00 -0.82 -4.24 105.19 105.02 3ima n GLY 178 Ca 0.28 -1.57 0.05 0.00 0.00 0.00 0.00 46.02 44.78 3ima n GLY 178 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ima n THR 179 N -1.32 0.00 0.84 2.61 -2.24 -1.26 -2.92 114.28 109.98 3ima n THR 179 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 3ima n THR 179 Cb 0.00 -0.21 0.02 0.00 -2.10 0.00 0.00 70.33 68.04 3ima n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ima n GLY 180 N 0.58 -1.13 3.91 3.38 0.00 -1.26 -3.89 105.19 106.78 3ima n GLY 180 Ca 0.08 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3ima n GLY 180 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ima s TRP 181 N -3.08 3.54 0.00 1.61 -0.00 -1.15 -4.92 118.94 114.94 3ima s TRP 181 Ca 0.07 0.34 0.00 0.00 -0.00 0.00 0.00 56.10 56.51 3ima s TRP 181 Cb 0.16 -1.82 0.00 0.00 -0.00 0.00 0.00 33.47 31.81 3ima s TRP 181 CO 0.81 0.62 0.00 0.41 -0.00 0.00 0.00 176.95 178.79 3ima n GLY 182 N 0.74 2.30 3.43 5.86 0.00 -1.06 0.28 105.19 116.74 3ima n GLY 182 Ca -0.09 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 3ima n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ima s GLU 183 N 0.00 3.82 -1.50 1.61 2.02 0.12 -4.41 118.70 120.36 3ima s GLU 183 Ca 0.00 -2.27 -0.12 0.00 0.02 0.00 0.00 54.97 52.59 3ima s GLU 183 Cb 0.00 -4.86 0.07 0.00 0.10 0.00 0.00 34.13 29.44 3ima s GLU 183 CO 0.00 -1.65 0.94 0.09 0.02 0.00 0.00 175.26 174.65 3ima n ASN 184 N 5.52 -5.02 0.00 -0.19 3.02 -1.24 -1.44 115.26 115.90 3ima n ASN 184 Ca 0.27 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 3ima n ASN 184 Cb 0.46 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.62 3ima n ASN 184 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ima n GLY 185 N -1.67 1.05 3.74 7.41 0.00 0.14 -4.60 105.19 111.26 3ima n GLY 185 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 3ima n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ima s TYR 186 N -2.50 2.88 -0.06 1.61 1.51 -0.52 -0.97 117.35 119.31 3ima s TYR 186 Ca 0.00 -0.19 -0.04 0.00 -1.01 0.00 0.00 57.07 55.83 3ima s TYR 186 Cb 0.00 -1.34 0.02 0.00 -0.11 0.00 0.00 41.96 40.53 3ima s TYR 186 CO 0.00 0.54 0.14 -1.50 -1.11 0.00 0.00 175.55 173.62 3ima s ILE 187 N -2.25 -0.01 -0.45 2.71 2.07 -0.50 -0.71 121.20 122.07 3ima s ILE 187 Ca 0.33 0.05 -0.11 0.00 -1.41 0.00 0.00 60.65 59.51 3ima s ILE 187 Cb -0.07 -0.22 0.08 0.00 0.13 0.00 0.00 42.46 42.39 3ima s ILE 187 CO 0.23 0.02 0.32 -0.13 -1.91 0.00 0.00 174.94 173.47 3ima s ARG 188 N 0.41 2.72 0.13 3.50 0.52 -1.26 -1.49 118.95 123.46 3ima s ARG 188 Ca -0.03 -1.48 -0.20 0.00 -0.52 0.00 0.00 55.73 53.50 3ima s ARG 188 Cb -0.04 -3.92 -0.07 0.00 0.52 0.00 0.00 34.95 31.43 3ima s ARG 188 CO -0.02 -1.02 0.64 0.42 0.02 0.00 0.00 175.30 175.34 3ima s ILE 189 N 1.49 4.63 0.21 1.52 1.01 -1.11 0.14 121.20 129.10 3ima s ILE 189 Ca 0.04 1.30 -0.31 0.00 0.00 0.00 0.00 60.65 61.68 3ima s ILE 189 Cb -0.24 -3.93 -0.10 0.00 0.01 0.00 0.00 42.46 38.20 3ima s ILE 189 CO 0.03 0.46 1.50 -0.75 0.00 0.00 0.00 174.94 176.18 3ima s LYS 190 N -1.34 4.24 0.00 2.79 2.47 0.11 -1.63 119.74 126.38 3ima s LYS 190 Ca 0.34 2.34 0.04 0.00 -1.56 0.00 0.00 55.97 57.12 3ima s LYS 190 Cb -0.19 -3.13 -0.01 0.00 -1.46 0.00 0.00 37.83 33.04 3ima s LYS 190 CO 0.21 -0.51 -0.11 -0.98 0.16 0.00 0.00 175.35 174.12 3ima s ARG 191 N 0.27 0.88 0.00 4.03 1.70 -0.94 -4.42 118.95 120.47 3ima s ARG 191 Ca 0.64 -0.48 0.00 0.00 -0.47 0.00 0.00 55.73 55.42 3ima s ARG 191 Cb -0.43 -0.85 0.00 0.00 -0.57 0.00 0.00 34.95 33.10 3ima s ARG 191 CO 0.38 0.23 0.00 0.41 -1.08 0.00 0.00 175.30 175.24 3ima n GLY 192 N 2.57 1.49 0.08 3.88 0.00 -1.26 -4.53 105.19 107.41 3ima n GLY 192 Ca -0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.02 3ima n GLY 192 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ima n THR 193 N -0.95 0.00 -0.84 2.61 -2.24 -1.26 -4.89 114.28 106.71 3ima n THR 193 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3ima n THR 193 Cb 0.00 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 3ima n THR 193 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ima n GLY 194 N 1.26 0.90 3.69 3.38 0.00 -1.26 -4.97 105.19 108.19 3ima n GLY 194 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3ima n GLY 194 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ima s ASN 195 N -2.84 7.21 0.12 1.61 3.84 -1.26 -4.93 114.94 118.69 3ima s ASN 195 Ca 0.00 1.67 -0.18 0.00 0.21 0.00 0.00 52.86 54.55 3ima s ASN 195 Cb 0.00 -2.56 -0.04 0.00 -0.55 0.00 0.00 41.25 38.09 3ima s ASN 195 CO 0.00 -0.44 1.73 0.77 -2.79 0.00 0.00 177.10 176.37 3ima h SER 196 N 7.09 0.35 -0.75 -4.21 4.64 -1.93 -2.47 113.55 116.27 3ima h SER 196 Ca -0.35 -0.08 0.16 0.00 -0.47 0.00 0.00 61.79 61.06 3ima h SER 196 Cb 1.17 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 63.13 3ima h SER 196 CO 0.83 0.32 0.51 1.88 -0.87 0.00 0.00 176.83 179.50 3ima h TYR 197 N 0.34 0.41 0.00 4.77 0.05 -1.92 -3.39 116.97 117.24 3ima h TYR 197 Ca 0.10 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3ima h TYR 197 Cb 0.05 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.66 3ima h TYR 197 CO -0.04 0.15 0.00 0.41 -1.05 0.00 0.00 178.16 177.63 3ima n GLY 198 N -1.54 0.31 3.69 3.88 0.00 -0.93 -1.69 105.19 108.90 3ima n GLY 198 Ca 0.15 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 3ima n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ima s VAL 199 N -2.95 2.72 -1.74 1.61 1.01 -1.26 -1.06 120.40 118.73 3ima s VAL 199 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 3ima s VAL 199 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3ima s VAL 199 CO 0.00 0.00 0.12 0.00 0.00 0.00 0.00 175.10 175.22 3ima n GLY 201 N -1.12 1.31 0.15 0.00 0.00 -0.23 -1.00 105.19 104.30 3ima n GLY 201 Ca -0.22 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.73 3ima n GLY 201 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ima n LEU 202 N -2.25 0.28 -0.78 0.99 7.94 -0.86 -1.29 117.00 121.03 3ima n LEU 202 Ca -0.19 0.50 0.07 0.00 -1.11 0.00 0.00 56.01 55.27 3ima n LEU 202 Cb 0.63 -0.43 0.19 0.00 0.53 0.00 0.00 43.42 44.34 3ima n LEU 202 CO 0.28 -0.59 0.66 -1.22 -1.11 0.00 0.00 177.39 175.41 3ima n TYR 203 N -1.95 0.64 -0.14 1.96 4.01 -0.68 -4.51 117.16 116.49 3ima n TYR 203 Ca -0.01 -0.58 -0.09 0.00 -0.16 0.00 0.00 57.90 57.06 3ima n TYR 203 Cb 0.36 -0.10 -0.00 0.00 -0.31 0.00 0.00 39.34 39.29 3ima n TYR 203 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3ima h THR 204 N 2.21 1.19 -1.23 -0.72 2.02 -1.33 -0.11 112.91 114.95 3ima h THR 204 Ca 0.00 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 3ima h THR 204 Cb 0.93 0.80 -0.23 0.00 -1.74 0.00 0.00 68.15 67.90 3ima h THR 204 CO 0.06 0.21 -0.38 -0.55 0.37 0.00 0.00 175.52 175.23 3ima s SER 205 N -5.84 -0.99 -0.05 4.18 0.15 -1.26 -4.69 113.70 105.19 3ima s SER 205 Ca -0.13 0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.91 3ima s SER 205 Cb 0.10 1.82 0.00 0.00 -1.71 0.00 0.00 66.02 66.24 3ima s SER 205 CO 0.75 -0.29 -0.15 -0.44 1.20 0.00 0.00 173.24 174.31 3ima s SER 206 N 2.76 1.99 0.22 5.45 0.01 -1.26 -3.49 113.70 119.38 3ima s SER 206 Ca 0.14 -0.33 0.05 0.00 1.31 0.00 0.00 55.95 57.12 3ima s SER 206 Cb -0.13 -0.70 -0.05 0.00 0.21 0.00 0.00 66.02 65.35 3ima s SER 206 CO -0.23 0.10 -0.06 -0.36 0.41 0.00 0.00 173.24 173.10 3ima s PHE 207 N 0.29 1.61 0.01 2.43 0.40 -0.13 -0.83 117.98 121.76 3ima s PHE 207 Ca -0.08 -0.78 -0.13 0.00 -0.60 0.00 0.00 56.93 55.33 3ima s PHE 207 Cb -0.13 -0.88 0.02 0.00 0.51 0.00 0.00 43.02 42.54 3ima s PHE 207 CO 0.03 0.12 0.28 1.52 0.70 0.00 0.00 175.22 177.88 3ima s TYR 208 N -3.23 -0.11 0.44 0.36 1.13 0.54 -0.89 117.35 115.58 3ima s TYR 208 Ca 0.25 0.08 -0.21 0.00 -1.41 0.00 0.00 57.07 55.78 3ima s TYR 208 Cb 0.04 0.07 -0.10 0.00 -1.10 0.00 0.00 41.96 40.86 3ima s TYR 208 CO 0.07 -0.42 0.97 -1.25 -2.51 0.00 0.00 175.55 172.41 3ima s PRO 209 N -1.87 4.14 -0.06 -3.49 0.04 -1.26 -0.71 135.00 131.79 3ima s PRO 209 Ca -0.10 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.15 3ima s PRO 209 Cb -0.03 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 3ima s PRO 209 CO 0.01 -0.11 -0.12 0.08 0.04 0.00 0.00 177.00 176.90 3ima s VAL 210 N -2.12 3.28 -0.11 -0.36 1.01 0.57 -4.87 120.40 117.80 3ima s VAL 210 Ca 0.63 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 3ima s VAL 210 Cb -0.11 -2.31 0.05 0.00 0.00 0.00 0.00 36.38 34.01 3ima s VAL 210 CO 0.15 0.59 0.27 -0.75 0.00 0.00 0.00 175.10 175.36 3ima s LYS 211 N -0.72 0.24 0.00 2.72 2.47 -1.26 0.07 119.74 123.25 3ima s LYS 211 Ca 0.11 0.55 0.27 0.00 -1.56 0.00 0.00 55.97 55.34 3ima s LYS 211 Cb -0.11 -0.09 0.88 0.00 -1.46 0.00 0.00 37.83 37.05 3ima s LYS 211 CO 0.01 -0.15 1.65 0.09 0.16 0.00 0.00 175.35 177.11