#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 -0.52 0.09 6.28 -0.04 -1.26 -4.92 135.00 134.63 3ima n PRO 2 Ca 0.00 -0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.23 3ima n PRO 2 Cb 0.00 -2.05 -0.07 0.00 -0.04 0.00 0.00 33.50 31.34 3ima n PRO 2 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3ima h GLU 3 N -1.76 0.29 -4.89 0.54 4.81 -1.99 -3.45 114.58 108.12 3ima h GLU 3 Ca -0.45 -0.37 -0.46 0.00 -0.13 0.00 0.00 59.36 57.95 3ima h GLU 3 Cb 1.28 0.12 -0.30 0.00 0.63 0.00 0.00 28.75 30.48 3ima h GLU 3 CO 0.37 1.11 -0.80 0.71 -0.73 0.00 0.00 179.01 179.67 3ima s TYR 4 N -3.00 1.15 -0.02 0.92 1.51 -1.26 -3.72 117.35 112.94 3ima s TYR 4 Ca -0.04 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 3ima s TYR 4 Cb 0.09 -0.78 0.00 0.00 -0.11 0.00 0.00 41.96 41.16 3ima s TYR 4 CO 0.86 -0.09 -0.05 0.08 -1.11 0.00 0.00 175.55 175.24 3ima s VAL 5 N 0.02 0.46 -0.37 0.71 1.01 -0.66 -4.96 120.40 116.59 3ima s VAL 5 Ca -0.01 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.83 3ima s VAL 5 Cb -0.08 -0.42 0.17 0.00 0.00 0.00 0.00 36.38 36.04 3ima s VAL 5 CO 0.00 0.16 0.48 -0.62 0.00 0.00 0.00 175.10 175.12 3ima s ASP 6 N 0.21 -0.01 0.66 3.32 -1.08 -1.26 -0.92 116.67 117.57 3ima s ASP 6 Ca -0.02 -1.10 0.32 0.00 -0.52 0.00 0.00 52.55 51.23 3ima s ASP 6 Cb -0.06 1.19 1.72 0.00 -1.46 0.00 0.00 42.92 44.31 3ima s ASP 6 CO -0.00 -0.24 1.99 -0.50 0.52 0.00 0.00 175.17 176.94 3ima h TRP 7 N 7.19 0.00 -0.44 -5.34 4.06 -1.60 0.59 115.95 120.41 3ima h TRP 7 Ca 0.03 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.91 3ima h TRP 7 Cb 1.11 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.25 3ima h TRP 7 CO 0.25 0.00 -0.04 0.00 -3.56 0.00 0.00 178.44 175.09 3ima h ARG 8 N 0.00 0.74 0.00 0.49 3.08 -1.92 -1.16 114.38 115.61 3ima h ARG 8 Ca 0.02 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3ima h ARG 8 Cb 0.61 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3ima h ARG 8 CO -0.00 0.78 0.00 1.96 -1.07 0.00 0.00 179.97 181.64 3ima h GLN 9 N 0.68 0.00 -0.53 0.04 4.20 -1.28 -2.25 115.11 115.98 3ima h GLN 9 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3ima h GLN 9 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3ima h GLN 9 CO 0.02 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.81 3ima n LYS 10 N -2.76 2.37 -1.98 1.46 4.76 -0.88 -4.94 118.16 116.20 3ima n LYS 10 Ca 0.01 -2.11 -0.12 0.00 -2.87 0.00 0.00 58.31 53.22 3ima n LYS 10 Cb 0.29 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.98 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 1.45 0.27 0.94 0.72 0.00 -0.85 -4.92 105.19 102.80 3ima n GLY 11 Ca 0.20 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.80 2.47 -3.50 4.61 0.00 -0.49 -4.69 120.51 118.11 3ima n ALA 12 Ca -0.13 -1.42 -0.21 0.00 0.00 0.00 0.00 53.44 51.68 3ima n ALA 12 Cb 0.55 -0.65 -0.16 0.00 0.00 0.00 0.00 19.45 19.19 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 -1.41 0.72 0.81 0.00 1.01 -1.25 -3.75 120.40 116.53 3ima s VAL 13 Ca 0.35 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 3ima s VAL 13 Cb 0.21 -0.70 0.14 0.00 0.00 0.00 0.00 36.38 36.03 3ima s VAL 13 CO 0.19 0.26 1.13 0.42 0.00 0.00 0.00 175.10 177.10 3ima s THR 14 N 0.74 2.12 0.66 3.92 -4.23 -1.26 -4.94 115.64 112.64 3ima s THR 14 Ca -0.11 -0.25 -0.17 0.00 -1.18 0.00 0.00 61.69 59.97 3ima s THR 14 Cb -0.14 -2.86 -0.00 0.00 1.34 0.00 0.00 72.50 70.84 3ima s THR 14 CO 0.01 0.00 1.26 -2.84 -0.54 0.00 0.00 174.62 172.52 3ima s PRO 15 N -5.48 2.51 0.37 3.99 0.02 -1.26 -4.94 135.00 130.21 3ima s PRO 15 Ca 0.67 1.97 -0.28 0.00 0.02 0.00 0.00 61.00 63.38 3ima s PRO 15 Cb -0.06 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.49 3ima s PRO 15 CO 0.48 -1.61 1.49 0.08 -0.33 0.00 0.00 177.00 177.11 3ima s VAL 16 N -1.55 2.06 0.42 3.83 1.01 -1.26 -5.01 120.40 119.90 3ima s VAL 16 Ca 0.80 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.91 3ima s VAL 16 Cb -0.35 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 3ima s VAL 16 CO 0.40 0.01 0.28 -0.54 0.00 0.00 0.00 175.10 175.26 3ima s LYS 17 N -2.00 2.36 -0.15 2.72 -0.14 -1.26 -4.78 119.74 116.50 3ima s LYS 17 Ca 0.53 -1.72 -0.00 0.00 -1.36 0.00 0.00 55.97 53.42 3ima s LYS 17 Cb -0.46 -2.16 0.03 0.00 -1.68 0.00 0.00 37.83 33.55 3ima s LYS 17 CO 0.62 -0.19 -0.08 1.21 -0.76 0.00 0.00 175.35 176.15 3ima s ASN 18 N -4.03 2.61 0.00 2.83 3.84 -1.26 -1.23 114.94 117.70 3ima s ASN 18 Ca 0.44 -0.52 0.28 0.00 0.21 0.00 0.00 52.86 53.27 3ima s ASN 18 Cb 0.00 -0.95 1.32 0.00 -0.55 0.00 0.00 41.25 41.07 3ima s ASN 18 CO 0.25 -0.14 1.95 0.00 -2.79 0.00 0.00 177.10 176.37 3ima n GLN 19 N 4.87 0.19 0.00 0.43 10.64 -0.21 -4.91 117.38 128.39 3ima n GLN 19 Ca -0.13 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.05 3ima n GLN 19 Cb 0.49 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.37 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 1.30 0.89 0.00 2.61 0.00 -1.26 -3.35 105.19 105.38 3ima n GLY 20 Ca 0.10 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.61 0.00 -4.81 1.61 3.41 -1.26 -4.83 113.62 105.12 3ima n SER 21 Ca 0.00 -0.36 -0.38 0.00 -0.26 0.00 0.00 58.87 57.87 3ima n SER 21 Cb 0.00 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 63.72 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 1.53 4.88 3.23 0.00 0.00 0.33 -4.95 105.19 110.21 3ima n GLY 23 Ca -0.09 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 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 1.02 6.05 0.00 1.61 1.04 -1.26 -2.77 113.70 119.40 3ima s SER 24 Ca 0.56 -2.52 0.00 0.00 0.48 0.00 0.00 55.95 54.47 3ima s SER 24 Cb 0.17 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 64.23 3ima s SER 24 CO -0.07 -0.56 0.00 -2.67 0.98 0.00 0.00 173.24 170.92 3ima n TRP 26 N 4.11 0.00 -0.01 5.02 4.27 -1.26 -2.49 117.44 127.07 3ima n TRP 26 Ca 0.06 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.49 3ima n TRP 26 Cb 0.42 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.29 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 0.22 -0.63 -1.67 0.00 -1.91 -2.31 119.26 112.96 3ima h ALA 27 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 54.91 54.32 3ima h ALA 27 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3ima h ALA 27 CO 0.00 0.58 0.42 0.74 0.00 0.00 0.00 179.25 180.99 3ima h PHE 28 N 0.36 0.80 -0.02 0.00 -1.00 -1.82 -0.77 116.94 114.48 3ima h PHE 28 Ca -0.07 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.73 3ima h PHE 28 Cb 1.40 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 40.69 3ima h PHE 28 CO 0.10 0.51 0.02 1.03 -1.61 0.00 0.00 178.31 178.36 3ima h SER 29 N 0.86 0.03 -0.28 2.17 0.87 -1.81 -1.84 113.55 113.54 3ima h SER 29 Ca 0.23 -0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.81 3ima h SER 29 Cb -0.09 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 3ima h SER 29 CO -0.05 0.05 0.03 0.00 -0.53 0.00 0.00 176.83 176.32 3ima h ALA 30 N 0.99 0.27 -0.98 6.23 0.00 -1.21 -2.85 119.26 121.71 3ima h ALA 30 Ca 0.01 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3ima h ALA 30 Cb 0.02 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3ima h ALA 30 CO -0.00 -0.39 0.63 0.28 0.00 0.00 0.00 179.25 179.77 3ima h VAL 31 N 0.12 1.12 -0.68 0.00 2.07 -0.78 -1.67 116.25 116.43 3ima h VAL 31 Ca 0.13 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.27 3ima h VAL 31 Cb 0.16 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 29.72 3ima h VAL 31 CO -0.20 0.21 0.44 0.58 0.02 0.00 0.00 177.57 178.62 3ima h VAL 32 N 1.18 1.13 -0.13 2.57 2.07 -1.12 0.13 116.25 122.09 3ima h VAL 32 Ca 0.41 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.53 3ima h VAL 32 Cb 0.10 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3ima h VAL 32 CO -0.15 0.16 -0.34 0.71 0.02 0.00 0.00 177.57 177.96 3ima h THR 33 N 0.87 1.28 -0.21 2.57 1.35 -1.17 -1.22 112.91 116.38 3ima h THR 33 Ca 0.26 -1.36 -0.14 0.00 -0.55 0.00 0.00 66.41 64.62 3ima h THR 33 Cb -0.04 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3ima h THR 33 CO -0.08 0.41 -0.40 0.40 -0.25 0.00 0.00 175.52 175.60 3ima h ILE 34 N 0.23 1.32 -0.94 6.82 2.04 -0.44 -0.67 117.51 125.87 3ima h ILE 34 Ca 0.03 -1.62 0.03 0.00 1.00 0.00 0.00 64.86 64.30 3ima h ILE 34 Cb 0.72 1.83 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 3ima h ILE 34 CO 0.05 0.51 0.62 -0.33 0.00 0.00 0.00 178.15 179.00 3ima h GLU 35 N 0.34 1.17 0.18 2.37 5.08 -0.63 -0.61 114.58 122.47 3ima h GLU 35 Ca 0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3ima h GLU 35 Cb 1.00 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3ima h GLU 35 CO 0.09 0.77 -0.08 0.78 -1.00 0.00 0.00 179.01 179.57 3ima h GLY 36 N 1.20 -0.25 1.54 -3.84 0.00 -1.09 -2.30 103.07 98.34 3ima h GLY 36 Ca 0.37 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.76 3ima h GLY 36 CO -0.11 -0.09 0.09 1.19 0.00 0.00 0.00 176.54 177.62 3ima h ILE 37 N -0.70 1.18 -0.37 2.60 6.09 -0.97 -0.26 117.51 125.07 3ima h ILE 37 Ca -0.02 -0.65 -0.09 0.00 -1.37 0.00 0.00 64.86 62.73 3ima h ILE 37 Cb 0.50 0.78 -0.02 0.00 0.47 0.00 0.00 36.82 38.55 3ima h ILE 37 CO 0.04 0.24 -0.14 0.40 -3.07 0.00 0.00 178.15 175.61 3ima h ILE 38 N 0.58 1.25 -0.33 2.19 1.08 -1.13 0.20 117.51 121.35 3ima h ILE 38 Ca 0.13 -1.17 -0.15 0.00 -0.39 0.00 0.00 64.86 63.29 3ima h ILE 38 Cb 0.23 1.12 -0.00 0.00 -3.07 0.00 0.00 36.82 35.10 3ima h ILE 38 CO -0.00 0.39 -0.38 0.50 -0.69 0.00 0.00 178.15 177.96 3ima h LYS 39 N 0.61 0.84 -0.54 2.37 1.63 -0.80 -1.13 116.57 119.55 3ima h LYS 39 Ca 0.10 -0.47 -0.02 0.00 -0.85 0.00 0.00 60.65 59.41 3ima h LYS 39 Cb 0.59 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.23 3ima h LYS 39 CO 0.04 1.10 0.24 0.82 -3.45 0.00 0.00 179.45 178.20 3ima h ILE 40 N 0.62 1.21 0.00 2.00 2.04 -0.60 0.00 117.51 122.79 3ima h ILE 40 Ca 0.04 -0.61 -0.12 0.00 1.00 0.00 0.00 64.86 65.18 3ima h ILE 40 Cb 0.98 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3ima h ILE 40 CO 0.09 0.24 -0.77 0.03 0.00 0.00 0.00 178.15 177.74 3ima h ARG 41 N 0.72 0.00 0.00 2.37 2.47 -0.59 -3.39 114.38 115.96 3ima h ARG 41 Ca 0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 3ima h ARG 41 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 3ima h ARG 41 CO -0.02 0.41 -0.11 0.25 0.56 0.00 0.00 179.97 181.06 3ima n THR 42 N -3.11 0.00 -0.41 2.04 -2.24 -0.43 -5.01 114.28 105.12 3ima n THR 42 Ca -0.01 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3ima n THR 42 Cb 0.75 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 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 1.13 1.52 3.57 3.38 0.00 -0.01 -5.03 105.19 109.75 3ima n GLY 43 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.24 4.88 -0.31 1.61 0.02 -1.25 -4.98 114.94 111.66 3ima s ASN 44 Ca 0.00 -0.03 -0.12 0.00 -1.02 0.00 0.00 52.86 51.69 3ima s ASN 44 Cb 0.00 -1.54 -0.04 0.00 0.02 0.00 0.00 41.25 39.70 3ima s ASN 44 CO 0.00 0.28 0.21 -0.22 0.02 0.00 0.00 177.10 177.39 3ima s LEU 45 N -0.27 4.25 0.23 0.60 2.96 -1.26 -3.29 118.68 121.89 3ima s LEU 45 Ca 0.05 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.82 3ima s LEU 45 Cb -0.13 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 3ima s LEU 45 CO 0.02 -0.13 -0.08 0.20 -1.32 0.00 0.00 176.35 175.04 3ima s ASN 46 N 1.74 2.37 -0.19 3.68 -0.87 -1.26 -5.09 114.94 115.32 3ima s ASN 46 Ca 0.07 -1.12 -0.06 0.00 -1.57 0.00 0.00 52.86 50.18 3ima s ASN 46 Cb -0.17 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.25 40.93 3ima s ASN 46 CO 0.11 -0.33 0.03 -1.61 -2.57 0.00 0.00 177.10 172.73 3ima s GLU 47 N -3.74 3.79 0.26 -0.60 2.02 -1.26 -4.74 118.70 114.43 3ima s GLU 47 Ca 0.25 -0.44 0.07 0.00 0.02 0.00 0.00 54.97 54.88 3ima s GLU 47 Cb 0.03 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 3ima s GLU 47 CO 0.08 0.16 0.18 0.71 0.02 0.00 0.00 175.26 176.41 3ima s TYR 48 N 0.64 3.03 -0.55 1.61 2.02 -1.26 -0.66 117.35 122.19 3ima s TYR 48 Ca 0.01 -0.15 -0.28 0.00 -0.37 0.00 0.00 57.07 56.28 3ima s TYR 48 Cb -0.14 -1.42 0.03 0.00 -0.40 0.00 0.00 41.96 40.04 3ima s TYR 48 CO 0.02 0.50 1.14 0.45 -1.57 0.00 0.00 175.55 176.09 3ima s SER 49 N -3.84 6.48 0.22 2.29 0.15 -0.72 -4.16 113.70 114.13 3ima s SER 49 Ca 0.34 0.14 -0.05 0.00 0.70 0.00 0.00 55.95 57.07 3ima s SER 49 Cb -0.07 -2.53 0.21 0.00 -1.71 0.00 0.00 66.02 61.91 3ima s SER 49 CO 0.24 -1.38 1.71 -0.33 1.20 0.00 0.00 173.24 174.69 3ima h GLU 50 N 9.42 0.95 -0.81 5.44 3.07 -1.87 -2.99 114.58 127.79 3ima h GLU 50 Ca -0.25 -0.27 0.06 0.00 -0.50 0.00 0.00 59.36 58.41 3ima h GLU 50 Cb 1.06 -0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.81 3ima h GLU 50 CO 1.15 0.92 0.49 0.37 -1.40 0.00 0.00 179.01 180.54 3ima h GLN 51 N 0.88 0.86 -0.62 2.33 5.75 -1.85 0.34 115.11 122.82 3ima h GLN 51 Ca 0.17 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.68 3ima h GLN 51 Cb 0.48 -0.19 -0.06 0.00 1.07 0.00 0.00 27.48 28.77 3ima h GLN 51 CO 0.02 0.57 0.30 1.49 -2.65 0.00 0.00 178.83 178.57 3ima h GLU 52 N 0.89 0.54 -0.37 1.69 4.81 -1.77 0.13 114.58 120.51 3ima h GLU 52 Ca 0.36 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.39 3ima h GLU 52 Cb 0.18 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 3ima h GLU 52 CO -0.18 0.36 -0.42 -0.07 -0.73 0.00 0.00 179.01 177.97 3ima h LEU 53 N 0.56 1.00 -0.64 1.64 3.38 -1.34 0.12 115.31 120.03 3ima h LEU 53 Ca 0.29 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.84 3ima h LEU 53 Cb 0.24 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3ima h LEU 53 CO -0.22 1.28 0.35 0.25 0.09 0.00 0.00 178.44 180.19 3ima h LEU 54 N 0.75 0.51 0.15 1.67 5.85 -0.10 -1.29 115.31 122.85 3ima h LEU 54 Ca 0.05 0.03 -0.30 0.00 0.84 0.00 0.00 57.88 58.50 3ima h LEU 54 Cb 1.02 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 42.00 3ima h LEU 54 CO 0.10 0.33 -1.31 0.44 -0.34 0.00 0.00 178.44 177.66 3ima h ASP 55 N 0.64 0.71 0.26 1.25 3.32 -0.62 -3.40 116.42 118.59 3ima h ASP 55 Ca 0.29 -0.71 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3ima h ASP 55 Cb 0.18 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3ima h ASP 55 CO -0.18 1.54 -0.95 0.00 -1.72 0.00 0.00 179.24 177.93 3ima s ASP 57 N -3.40 6.28 0.05 0.00 2.15 -0.50 -4.86 116.67 116.39 3ima s ASP 57 Ca 0.06 -1.04 0.14 0.00 0.43 0.00 0.00 52.55 52.14 3ima s ASP 57 Cb 0.16 -2.48 0.60 0.00 -0.30 0.00 0.00 42.92 40.89 3ima s ASP 57 CO 0.81 -1.52 1.44 0.54 -0.17 0.00 0.00 175.17 176.27 3ima n ARG 58 N 8.22 0.03 0.08 4.34 1.74 -1.26 -1.87 116.66 127.94 3ima n ARG 58 Ca 0.07 0.33 0.02 0.00 -0.77 0.00 0.00 57.85 57.50 3ima n ARG 58 Cb 0.48 -1.57 -0.04 0.00 -1.02 0.00 0.00 32.46 30.31 3ima n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ima h ARG 59 N 0.00 0.00 -7.35 5.56 3.08 -1.96 -3.47 114.38 110.25 3ima h ARG 59 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 3ima h ARG 59 Cb 0.22 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.37 3ima h ARG 59 CO 0.00 0.32 0.23 -1.12 -1.07 0.00 0.00 179.97 178.33 3ima s SER 60 N -5.96 4.33 -0.41 7.04 0.01 -0.78 -4.89 113.70 113.04 3ima s SER 60 Ca -0.00 0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.47 3ima s SER 60 Cb 0.08 -0.62 0.46 0.00 0.21 0.00 0.00 66.02 66.15 3ima s SER 60 CO 0.79 -1.90 1.48 -1.22 0.41 0.00 0.00 173.24 172.79 3ima n TYR 61 N -3.06 2.80 -1.31 2.43 4.01 0.20 -4.97 117.16 117.26 3ima n TYR 61 Ca 0.12 -2.44 0.00 0.00 -0.16 0.00 0.00 57.90 55.41 3ima n TYR 61 Cb 0.60 -0.70 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 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 -0.80 3.30 0.00 2.72 0.00 -1.24 -0.88 105.19 108.29 3ima n GLY 62 Ca 0.49 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.86 5.04 0.00 0.00 3.02 -0.06 -0.51 115.26 121.90 3ima n ASN 64 Ca 0.15 -2.63 0.00 0.00 -0.03 0.00 0.00 54.58 52.07 3ima n ASN 64 Cb 0.07 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 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 0.91 2.23 0.00 7.41 0.00 -1.11 -4.80 105.19 109.82 3ima n GLY 65 Ca 0.26 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 0.14 0.58 2.89 -0.02 0.00 -1.26 0.62 105.19 108.15 3ima n GLY 66 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.76 1.25 0.33 1.61 2.02 -1.26 -4.82 117.35 113.72 3ima s TYR 67 Ca 0.00 -0.56 0.01 0.00 -0.37 0.00 0.00 57.07 56.16 3ima s TYR 67 Cb 0.00 -1.08 0.58 0.00 -0.40 0.00 0.00 41.96 41.06 3ima s TYR 67 CO 0.00 -0.42 1.98 -1.35 -1.57 0.00 0.00 175.55 174.18 3ima h PRO 68 N 7.99 0.92 -0.45 -1.71 0.11 -2.00 -2.35 132.00 134.50 3ima h PRO 68 Ca -0.28 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 3ima h PRO 68 Cb 1.14 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3ima h PRO 68 CO 0.39 0.61 0.06 0.11 -0.21 0.00 0.00 178.00 178.96 3ima h TRP 69 N 0.95 0.80 -0.14 0.65 5.08 -1.95 -1.12 115.95 120.21 3ima h TRP 69 Ca 0.29 -0.12 -0.12 0.00 1.08 0.00 0.00 58.89 60.02 3ima h TRP 69 Cb -0.02 -0.22 -0.01 0.00 -3.00 0.00 0.00 29.16 25.91 3ima h TRP 69 CO -0.00 0.76 -0.42 0.66 -1.28 0.00 0.00 178.44 178.16 3ima h SER 70 N 0.61 0.35 -0.68 0.11 4.64 -1.93 -0.99 113.55 115.66 3ima h SER 70 Ca 0.13 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3ima h SER 70 Cb 0.40 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 3ima h SER 70 CO 0.01 0.73 0.34 0.00 -0.87 0.00 0.00 176.83 177.04 3ima h ALA 71 N 1.28 0.87 -0.22 5.18 0.00 -1.29 -0.97 119.26 124.12 3ima h ALA 71 Ca 0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3ima h ALA 71 Cb 0.86 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ima h ALA 71 CO 0.07 0.43 -0.33 -0.07 0.00 0.00 0.00 179.25 179.35 3ima h LEU 72 N 0.94 0.46 -0.94 0.00 3.38 -0.91 -2.29 115.31 115.96 3ima h LEU 72 Ca 0.23 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3ima h LEU 72 Cb 0.10 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3ima h LEU 72 CO -0.03 0.76 -0.05 1.56 0.09 0.00 0.00 178.44 180.78 3ima h GLN 73 N 0.39 0.73 -0.82 1.13 4.20 -0.78 -2.15 115.11 117.81 3ima h GLN 73 Ca 0.05 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 3ima h GLN 73 Cb 0.76 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 3ima h GLN 73 CO 0.06 0.77 0.35 1.25 -0.67 0.00 0.00 178.83 180.59 3ima h LEU 74 N 0.67 1.11 -0.68 1.46 6.46 -0.65 -1.03 115.31 122.66 3ima h LEU 74 Ca 0.13 -0.16 -0.14 0.00 -0.12 0.00 0.00 57.88 57.59 3ima h LEU 74 Cb 0.48 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 3ima h LEU 74 CO 0.02 0.96 -0.48 0.58 -0.62 0.00 0.00 178.44 178.90 3ima h VAL 75 N 1.18 1.32 -0.14 1.05 2.07 -1.22 0.55 116.25 121.06 3ima h VAL 75 Ca 0.28 -1.70 -0.11 0.00 0.82 0.00 0.00 66.70 65.99 3ima h VAL 75 Cb 0.18 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3ima h VAL 75 CO -0.03 0.52 -0.41 0.00 0.02 0.00 0.00 177.57 177.67 3ima h ALA 76 N 1.13 1.03 0.08 1.67 0.00 -0.96 -0.71 119.26 121.50 3ima h ALA 76 Ca 0.02 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 3ima h ALA 76 Cb 0.98 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.68 3ima h ALA 76 CO 0.09 0.61 -0.61 0.37 0.00 0.00 0.00 179.25 179.70 3ima h GLN 77 N 0.27 0.17 -0.00 0.00 5.75 -0.90 -3.42 115.11 116.98 3ima h GLN 77 Ca 0.02 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 3ima h GLN 77 Cb 0.85 0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.50 3ima h GLN 77 CO 0.07 1.14 -0.01 0.66 -2.65 0.00 0.00 178.83 178.04 3ima n TYR 78 N -4.29 0.00 -2.05 3.99 4.01 0.16 -5.10 117.16 113.87 3ima n TYR 78 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3ima n TYR 78 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.73 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 0.26 -2.20 3.15 2.72 0.00 -0.28 -4.81 105.19 104.02 3ima n GLY 79 Ca 0.00 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.48 0.11 0.44 -0.61 2.07 0.16 -4.47 121.20 118.42 3ima s ILE 80 Ca 0.00 -0.89 0.04 0.00 -1.41 0.00 0.00 60.65 58.39 3ima s ILE 80 Cb 0.00 -0.80 0.01 0.00 0.13 0.00 0.00 42.46 41.80 3ima s ILE 80 CO 0.00 -0.49 0.62 -1.00 -1.91 0.00 0.00 174.94 172.16 3ima s HIS 81 N -2.29 2.98 0.47 3.50 3.76 -1.26 0.42 115.29 122.86 3ima s HIS 81 Ca -0.07 -0.12 -0.23 0.00 -0.15 0.00 0.00 55.06 54.49 3ima s HIS 81 Cb -0.03 -2.38 -0.07 0.00 1.11 0.00 0.00 32.58 31.22 3ima s HIS 81 CO -0.03 -0.43 1.19 0.71 -0.85 0.00 0.00 174.74 175.33 3ima s TYR 82 N -2.46 2.81 0.29 1.40 2.02 -1.26 -1.76 117.35 118.39 3ima s TYR 82 Ca 0.52 1.51 -0.01 0.00 -0.37 0.00 0.00 57.07 58.72 3ima s TYR 82 Cb -0.10 -3.44 0.46 0.00 -0.40 0.00 0.00 41.96 38.48 3ima s TYR 82 CO 0.35 -1.69 1.91 -0.09 -1.57 0.00 0.00 175.55 174.46 3ima h ARG 83 N 2.02 1.08 0.00 -0.62 2.43 -1.05 -2.25 114.38 115.99 3ima h ARG 83 Ca -0.50 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 58.52 3ima h ARG 83 Cb 1.25 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3ima h ARG 83 CO 0.60 0.72 -0.44 -2.95 -1.51 0.00 0.00 179.97 176.39 3ima h ASN 84 N 1.12 0.00 1.41 -3.80 -1.07 -1.92 -0.23 115.58 111.09 3ima h ASN 84 Ca 0.39 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.69 3ima h ASN 84 Cb 0.12 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.35 3ima h ASN 84 CO -0.14 0.44 -0.35 0.71 0.07 0.00 0.00 177.43 178.16 3ima h THR 85 N 0.00 0.65 -2.15 6.14 1.35 -1.81 -3.37 112.91 113.72 3ima h THR 85 Ca -0.00 -1.73 -0.57 0.00 -0.55 0.00 0.00 66.41 63.55 3ima h THR 85 Cb 0.86 2.18 -0.39 0.00 -1.73 0.00 0.00 68.15 69.07 3ima h THR 85 CO 0.06 0.34 -1.04 0.00 -0.25 0.00 0.00 175.52 174.63 3ima n TYR 86 N -3.26 -0.45 -1.44 4.73 4.19 -0.91 -5.03 117.16 115.00 3ima n TYR 86 Ca 0.02 -3.49 -0.33 0.00 3.31 0.00 0.00 57.90 57.41 3ima n TYR 86 Cb 0.62 -0.13 0.09 0.00 0.49 0.00 0.00 39.34 40.41 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 -0.75 2.23 0.14 2.98 0.04 -0.14 -4.47 135.00 135.02 3ima s PRO 87 Ca 0.34 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 3ima s PRO 87 Cb 0.12 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.73 3ima s PRO 87 CO -0.14 -1.73 1.13 -0.47 0.04 0.00 0.00 177.00 175.83 3ima s TYR 88 N -2.23 3.54 -0.16 0.56 5.04 -1.26 -4.73 117.35 118.10 3ima s TYR 88 Ca 0.70 1.50 0.05 0.00 -2.44 0.00 0.00 57.07 56.88 3ima s TYR 88 Cb -0.25 -3.32 -0.06 0.00 0.35 0.00 0.00 41.96 38.68 3ima s TYR 88 CO 0.46 -0.82 0.18 0.39 -1.34 0.00 0.00 175.55 174.42 3ima n GLU 89 N 2.91 3.80 -1.02 4.97 1.02 -1.26 -5.01 120.64 126.05 3ima n GLU 89 Ca 0.05 -0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.17 3ima n GLU 89 Cb 0.46 -0.85 -0.00 0.00 -0.02 0.00 0.00 31.44 31.03 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 1.45 0.45 3.24 0.62 0.00 -1.26 -5.00 105.19 104.69 3ima n GLY 90 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.87 0.06 0.11 1.61 -7.23 -1.26 -4.35 120.40 107.47 3ima s VAL 91 Ca 0.00 -0.46 -0.28 0.00 -1.81 0.00 0.00 61.98 59.43 3ima s VAL 91 Cb 0.00 -0.61 -0.06 0.00 0.56 0.00 0.00 36.38 36.27 3ima s VAL 91 CO 0.00 -0.25 0.89 -1.58 -0.31 0.00 0.00 175.10 173.85 3ima s GLN 92 N -1.28 4.65 0.00 4.82 0.74 -1.26 -4.98 119.66 122.35 3ima s GLN 92 Ca -0.13 1.32 0.00 0.00 0.05 0.00 0.00 55.36 56.60 3ima s GLN 92 Cb -0.05 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.71 3ima s GLN 92 CO 0.04 0.29 0.00 0.54 -0.55 0.00 0.00 175.29 175.62 3ima n ARG 93 N 2.56 2.30 -2.51 1.67 1.74 -1.26 -5.06 116.66 116.10 3ima n ARG 93 Ca -0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 3ima n ARG 93 Cb 0.49 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.90 3ima n ARG 93 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3ima s TYR 94 N -0.47 3.48 -0.04 -1.55 1.13 -1.26 -4.63 117.35 114.02 3ima s TYR 94 Ca 0.00 1.28 -0.30 0.00 -1.41 0.00 0.00 57.07 56.64 3ima s TYR 94 Cb 0.00 -2.65 -0.06 0.00 -1.10 0.00 0.00 41.96 38.15 3ima s TYR 94 CO 0.00 -0.31 1.69 0.00 -2.51 0.00 0.00 175.55 174.42 3ima n ARG 96 N 7.13 1.58 -0.07 0.00 1.85 -1.26 -4.78 116.66 121.11 3ima n ARG 96 Ca 0.17 -3.27 -0.07 0.00 -1.00 0.00 0.00 57.85 53.68 3ima n ARG 96 Cb 0.42 -1.56 -0.01 0.00 -1.05 0.00 0.00 32.46 30.26 3ima n ARG 96 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 3ima h SER 97 N 1.05 -0.29 0.45 2.89 0.02 -1.94 -1.50 113.55 114.22 3ima h SER 97 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3ima h SER 97 Cb 1.07 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3ima h SER 97 CO 0.03 -0.11 0.00 0.54 -1.14 0.00 0.00 176.83 176.16 3ima n ARG 98 N -5.25 0.09 0.04 3.45 3.00 -1.26 -1.76 116.66 114.96 3ima n ARG 98 Ca -0.00 0.20 0.12 0.00 -0.01 0.00 0.00 57.85 58.16 3ima n ARG 98 Cb 0.17 -1.50 0.29 0.00 0.00 0.00 0.00 32.46 31.42 3ima n ARG 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3ima n GLU 99 N -1.42 0.17 -0.04 5.56 1.02 -0.57 -4.31 120.64 121.05 3ima n GLU 99 Ca 0.05 0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 57.14 3ima n GLU 99 Cb 0.16 -1.62 -0.14 0.00 -0.02 0.00 0.00 31.44 29.82 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 -1.88 0.67 0.00 3.49 4.76 -0.72 -5.10 118.16 119.38 3ima n LYS 100 Ca 0.05 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 3ima n LYS 100 Cb 0.40 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 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 1.72 0.43 3.47 0.72 0.00 -1.25 -5.06 105.19 105.21 3ima n GLY 101 Ca -0.25 -2.26 -0.39 0.00 0.00 0.00 0.00 46.02 43.13 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 -0.21 0.54 -1.26 1.61 -0.02 -1.26 -4.84 135.00 129.56 3ima n PRO 102 Ca 0.00 0.21 -0.30 0.00 -2.02 0.00 0.00 63.50 61.39 3ima n PRO 102 Cb 0.00 -1.69 0.12 0.00 -0.02 0.00 0.00 33.50 31.92 3ima n PRO 102 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3ima s TYR 103 N -1.68 2.43 -0.10 6.00 -0.85 -1.26 -4.93 117.35 116.95 3ima s TYR 103 Ca 0.68 1.28 0.01 0.00 -0.52 0.00 0.00 57.07 58.52 3ima s TYR 103 Cb -0.47 -3.14 -0.25 0.00 0.38 0.00 0.00 41.96 38.49 3ima s TYR 103 CO 0.55 -2.22 0.44 0.00 -1.52 0.00 0.00 175.55 172.79 3ima n ALA 104 N -3.77 1.12 -3.02 9.51 0.00 0.17 -4.93 120.51 119.58 3ima n ALA 104 Ca 0.07 -0.68 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 3ima n ALA 104 Cb 0.55 -0.71 -0.07 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.57 -0.73 -0.03 0.00 0.00 -0.83 -4.98 121.76 112.63 3ima s ALA 105 Ca -0.17 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 3ima s ALA 105 Cb 0.07 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.53 3ima s ALA 105 CO 0.78 -0.42 0.08 0.21 0.00 0.00 0.00 175.76 176.41 3ima s LYS 106 N -2.57 0.13 0.53 0.00 2.20 -1.26 0.36 119.74 119.12 3ima s LYS 106 Ca -0.05 0.05 0.09 0.00 -0.36 0.00 0.00 55.97 55.70 3ima s LYS 106 Cb -0.01 0.06 0.06 0.00 -1.51 0.00 0.00 37.83 36.43 3ima s LYS 106 CO -0.03 -0.02 0.71 0.95 -0.36 0.00 0.00 175.35 176.60 3ima s THR 107 N -0.11 2.38 -0.53 3.43 -4.23 -1.18 -4.99 115.64 110.41 3ima s THR 107 Ca -0.02 -1.02 0.09 0.00 -1.18 0.00 0.00 61.69 59.56 3ima s THR 107 Cb -0.01 -2.41 -0.06 0.00 1.34 0.00 0.00 72.50 71.36 3ima s THR 107 CO 0.00 0.00 0.43 0.47 -0.54 0.00 0.00 174.62 174.99 3ima n ASP 108 N -2.10 0.63 0.00 3.99 8.00 0.12 -4.37 116.55 122.82 3ima n ASP 108 Ca 0.13 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.81 3ima n ASP 108 Cb 0.61 0.83 0.00 0.00 -0.02 0.00 0.00 41.12 42.54 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 1.09 -1.30 2.97 0.44 0.00 -1.03 -4.95 105.19 102.41 3ima n GLY 109 Ca 0.02 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.91 -0.02 0.12 1.61 1.01 -1.26 -1.00 120.40 117.96 3ima s VAL 110 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.11 3ima s VAL 110 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 3ima s VAL 110 CO 0.00 0.02 -0.16 -0.13 0.00 0.00 0.00 175.10 174.83 3ima s ARG 111 N 0.41 1.08 -0.05 2.72 1.81 -0.52 -4.93 118.95 119.48 3ima s ARG 111 Ca -0.03 -1.24 0.02 0.00 -1.72 0.00 0.00 55.73 52.77 3ima s ARG 111 Cb -0.04 -1.08 -0.03 0.00 -0.45 0.00 0.00 34.95 33.34 3ima s ARG 111 CO -0.02 0.22 -0.09 -1.14 -0.68 0.00 0.00 175.30 173.60 3ima s GLN 112 N -2.47 2.63 0.25 3.54 0.74 -1.26 -1.31 119.66 121.79 3ima s GLN 112 Ca 0.09 -0.63 -0.26 0.00 0.05 0.00 0.00 55.36 54.61 3ima s GLN 112 Cb -0.07 -2.51 -0.09 0.00 1.10 0.00 0.00 33.01 31.44 3ima s GLN 112 CO 0.04 0.64 0.88 0.08 -0.55 0.00 0.00 175.29 176.38 3ima s VAL 113 N -0.84 4.24 0.14 1.34 1.01 0.01 -4.97 120.40 121.33 3ima s VAL 113 Ca 0.13 1.82 -0.34 0.00 0.00 0.00 0.00 61.98 63.59 3ima s VAL 113 Cb -0.11 -4.11 -0.13 0.00 0.00 0.00 0.00 36.38 32.02 3ima s VAL 113 CO 0.03 0.33 1.64 1.67 0.00 0.00 0.00 175.10 178.77 3ima n GLN 114 N 1.06 2.25 -1.40 2.72 7.27 -1.26 -4.60 117.38 123.43 3ima n GLN 114 Ca -0.01 0.81 -0.31 0.00 0.07 0.00 0.00 57.00 57.57 3ima n GLN 114 Cb 0.49 -2.61 0.09 0.00 2.41 0.00 0.00 30.24 30.62 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 1.39 2.25 -1.62 3.69 0.04 -1.26 -3.90 135.00 135.60 3ima s PRO 115 Ca 0.80 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.78 3ima s PRO 115 Cb -0.65 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 31.98 3ima s PRO 115 CO 0.39 -1.58 0.00 0.66 0.04 0.00 0.00 177.00 176.51 3ima n TYR 116 N -3.45 -1.08 -3.80 0.56 4.01 0.05 -4.94 117.16 108.51 3ima n TYR 116 Ca 0.08 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.52 3ima n TYR 116 Cb 0.54 -3.67 -0.15 0.00 -0.31 0.00 0.00 39.34 35.75 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 -2.06 3.99 0.20 7.72 3.84 -1.25 -4.80 114.94 122.57 3ima s ASN 117 Ca 0.00 -1.57 -0.11 0.00 0.21 0.00 0.00 52.86 51.39 3ima s ASN 117 Cb 0.00 -0.98 0.12 0.00 -0.55 0.00 0.00 41.25 39.85 3ima s ASN 117 CO 0.00 -0.38 1.83 -0.08 -2.79 0.00 0.00 177.10 175.68 3ima h GLU 118 N 8.02 0.95 -0.58 0.43 4.81 -1.91 -2.60 114.58 123.69 3ima h GLU 118 Ca -0.13 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 58.95 3ima h GLU 118 Cb 1.03 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 3ima h GLU 118 CO 0.46 0.68 0.12 0.78 -0.73 0.00 0.00 179.01 180.32 3ima h GLY 119 N 0.94 0.98 1.01 1.92 0.00 -1.98 -1.94 103.07 104.01 3ima h GLY 119 Ca 0.25 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3ima h GLY 119 CO -0.04 0.56 0.22 0.00 0.00 0.00 0.00 176.54 177.27 3ima h ALA 120 N 1.25 0.83 -0.34 3.60 0.00 -1.86 -0.82 119.26 121.92 3ima h ALA 120 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ima h ALA 120 Cb 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3ima h ALA 120 CO 0.00 0.48 0.18 1.25 0.00 0.00 0.00 179.25 181.17 3ima h LEU 121 N 0.91 0.42 -0.95 0.00 5.85 -1.22 -1.54 115.31 118.78 3ima h LEU 121 Ca 0.21 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3ima h LEU 121 Cb 0.26 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3ima h LEU 121 CO -0.01 0.39 0.32 -0.07 -0.34 0.00 0.00 178.44 178.73 3ima h LEU 122 N 0.42 0.98 -0.49 2.25 3.38 -1.19 0.60 115.31 121.27 3ima h LEU 122 Ca 0.12 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3ima h LEU 122 Cb 0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3ima h LEU 122 CO -0.02 0.85 0.30 0.22 0.09 0.00 0.00 178.44 179.89 3ima h TYR 123 N 1.06 0.57 -0.32 1.13 3.20 -0.83 -0.08 116.97 121.70 3ima h TYR 123 Ca 0.25 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.97 3ima h TYR 123 Cb 0.16 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3ima h TYR 123 CO 0.02 0.34 -0.44 0.77 -1.64 0.00 0.00 178.16 177.20 3ima h SER 124 N 0.61 0.89 -0.62 -2.11 0.02 -0.80 -2.84 113.55 108.71 3ima h SER 124 Ca 0.19 -0.43 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3ima h SER 124 Cb -0.02 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 3ima h SER 124 CO -0.07 1.20 0.39 0.40 -1.14 0.00 0.00 176.83 177.61 3ima h ILE 125 N 0.66 1.17 -0.73 3.27 2.04 -0.41 0.12 117.51 123.64 3ima h ILE 125 Ca 0.04 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.58 3ima h ILE 125 Cb 1.02 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3ima h ILE 125 CO 0.10 0.18 0.48 0.00 0.00 0.00 0.00 178.15 178.91 3ima h ALA 126 N 1.57 1.61 0.12 1.87 0.00 -0.78 -2.82 119.26 120.81 3ima h ALA 126 Ca 0.23 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.83 3ima h ALA 126 Cb -0.05 -0.24 0.03 0.00 0.00 0.00 0.00 17.79 17.53 3ima h ALA 126 CO -0.04 0.31 -1.16 -0.91 0.00 0.00 0.00 179.25 177.44 3ima h ASN 127 N 0.86 0.82 -5.38 0.00 -0.26 -0.93 -3.49 115.58 107.19 3ima h ASN 127 Ca 0.30 -0.83 0.22 0.00 -0.56 0.00 0.00 56.30 55.42 3ima h ASN 127 Cb 0.11 -0.26 -0.10 0.00 -1.06 0.00 0.00 38.32 37.01 3ima h ASN 127 CO -0.09 1.57 0.60 0.00 -1.06 0.00 0.00 177.43 178.44 3ima s GLN 128 N -2.93 0.91 0.40 0.81 -2.07 -0.28 -5.06 119.66 111.43 3ima s GLN 128 Ca -0.10 -0.49 -0.26 0.00 -1.82 0.00 0.00 55.36 52.68 3ima s GLN 128 Cb 0.05 0.32 -0.09 0.00 -1.09 0.00 0.00 33.01 32.20 3ima s GLN 128 CO 0.92 -0.42 1.34 -2.14 -1.32 0.00 0.00 175.29 173.67 3ima s PRO 129 N -3.00 3.99 -0.03 9.60 0.02 -1.26 -4.02 135.00 140.31 3ima s PRO 129 Ca 0.12 2.25 0.06 0.00 0.02 0.00 0.00 61.00 63.45 3ima s PRO 129 Cb 0.01 -2.81 -0.01 0.00 0.02 0.00 0.00 34.50 31.70 3ima s PRO 129 CO -0.00 -0.50 -0.21 0.08 -0.33 0.00 0.00 177.00 176.03 3ima s VAL 130 N -1.22 1.68 -0.12 3.83 1.01 -0.56 -4.71 120.40 120.31 3ima s VAL 130 Ca 0.56 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 3ima s VAL 130 Cb -0.40 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 3ima s VAL 130 CO 0.52 0.48 1.05 -0.55 0.00 0.00 0.00 175.10 176.60 3ima s SER 131 N -0.35 7.18 0.28 3.32 0.15 -0.08 -0.58 113.70 123.63 3ima s SER 131 Ca 0.04 1.55 0.03 0.00 0.70 0.00 0.00 55.95 58.27 3ima s SER 131 Cb -0.10 -2.55 -0.06 0.00 -1.71 0.00 0.00 66.02 61.60 3ima s SER 131 CO 0.00 -0.52 0.05 0.68 1.20 0.00 0.00 173.24 174.66 3ima s VAL 132 N 2.30 0.98 0.15 4.45 -7.23 -0.49 -1.30 120.40 119.26 3ima s VAL 132 Ca 0.49 -2.01 0.05 0.00 -1.81 0.00 0.00 61.98 58.70 3ima s VAL 132 Cb -0.19 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 3ima s VAL 132 CO 0.16 -0.09 -0.11 0.68 -0.31 0.00 0.00 175.10 175.43 3ima s VAL 133 N -3.46 1.23 0.24 1.32 -7.23 -1.24 -0.56 120.40 110.71 3ima s VAL 133 Ca 0.35 -2.05 -0.21 0.00 -1.81 0.00 0.00 61.98 58.25 3ima s VAL 133 Cb 0.08 -1.84 0.06 0.00 0.56 0.00 0.00 36.38 35.23 3ima s VAL 133 CO 0.13 -0.71 0.90 -1.48 -0.31 0.00 0.00 175.10 173.63 3ima s LEU 134 N -3.13 -0.10 -0.33 1.32 0.05 -0.59 -3.79 118.68 112.11 3ima s LEU 134 Ca 0.17 -0.69 -0.14 0.00 0.05 0.00 0.00 54.13 53.52 3ima s LEU 134 Cb 0.02 2.41 -0.02 0.00 -2.05 0.00 0.00 46.19 46.54 3ima s LEU 134 CO 0.01 -1.19 0.32 -0.70 -0.55 0.00 0.00 176.35 174.24 3ima s GLU 135 N -2.88 3.62 0.00 1.48 2.12 -0.03 -1.14 118.70 121.87 3ima s GLU 135 Ca 0.15 -0.42 0.05 0.00 0.36 0.00 0.00 54.97 55.11 3ima s GLU 135 Cb -0.03 -3.78 0.00 0.00 0.26 0.00 0.00 34.13 30.58 3ima s GLU 135 CO 0.06 -0.46 0.46 0.00 -0.54 0.00 0.00 175.26 174.78 3ima n ALA 136 N 5.29 2.53 0.29 6.30 0.00 -1.26 -4.65 120.51 129.00 3ima n ALA 136 Ca -0.10 -0.36 0.14 0.00 0.00 0.00 0.00 53.44 53.11 3ima n ALA 136 Cb 0.50 -0.16 0.85 0.00 0.00 0.00 0.00 19.45 20.63 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 0.82 1.49 -2.89 0.00 0.00 -1.93 -3.38 119.26 113.38 3ima h ALA 137 Ca 0.00 -0.03 -0.53 0.00 0.00 0.00 0.00 54.91 54.35 3ima h ALA 137 Cb 0.16 -0.01 0.09 0.00 0.00 0.00 0.00 17.79 18.04 3ima h ALA 137 CO 0.00 0.04 0.61 0.20 0.00 0.00 0.00 179.25 180.11 3ima s GLY 138 N -4.13 2.90 0.31 0.00 0.00 -1.26 -4.85 107.32 100.29 3ima s GLY 138 Ca -0.04 1.25 0.05 0.00 0.00 0.00 0.00 44.72 45.98 3ima s GLY 138 CO 0.57 1.81 1.83 1.70 0.00 0.00 0.00 173.10 179.01 3ima h LYS 139 N 2.36 0.80 -0.70 2.90 3.64 -1.92 -1.10 116.57 122.56 3ima h LYS 139 Ca -0.50 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.79 3ima h LYS 139 Cb 1.26 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 3ima h LYS 139 CO 0.61 0.53 0.27 -0.44 -2.27 0.00 0.00 179.45 178.15 3ima h ASP 140 N 0.83 0.97 -0.54 4.20 3.32 -1.91 0.51 116.42 123.79 3ima h ASP 140 Ca 0.51 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.33 3ima h ASP 140 Cb 0.70 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3ima h ASP 140 CO -0.28 0.88 0.12 0.15 -1.72 0.00 0.00 179.24 178.39 3ima h PHE 141 N 0.99 0.92 -0.87 4.55 3.04 -1.65 -1.47 116.94 122.47 3ima h PHE 141 Ca 0.23 -0.12 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 3ima h PHE 141 Cb 0.22 -0.26 -0.04 0.00 2.56 0.00 0.00 35.95 38.43 3ima h PHE 141 CO 0.02 0.81 0.51 1.96 -2.02 0.00 0.00 178.31 179.59 3ima h GLN 142 N 0.77 1.19 -0.13 1.11 1.08 -0.51 -2.42 115.11 116.20 3ima h GLN 142 Ca 0.17 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3ima h GLN 142 Cb 0.36 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3ima h GLN 142 CO 0.00 0.84 0.00 1.28 -0.95 0.00 0.00 178.83 180.01 3ima n LEU 143 N -4.40 1.32 -4.70 1.46 4.77 0.10 -4.94 117.00 110.60 3ima n LEU 143 Ca 0.09 -0.55 -0.61 0.00 -0.03 0.00 0.00 56.01 54.91 3ima n LEU 143 Cb 0.07 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 3ima n LEU 143 CO 0.38 0.28 1.18 0.00 -1.33 0.00 0.00 177.39 177.89 3ima n TYR 144 N 0.09 1.81 0.59 -1.77 9.36 -0.59 -4.86 117.16 121.79 3ima n TYR 144 Ca 0.15 0.82 0.06 0.00 3.32 0.00 0.00 57.90 62.26 3ima n TYR 144 Cb 0.27 -2.34 -0.03 0.00 -0.63 0.00 0.00 39.34 36.61 3ima n TYR 144 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 3ima n ARG 145 N 4.38 2.34 0.00 2.98 1.85 -1.26 -2.11 116.66 124.83 3ima n ARG 145 Ca 0.27 -0.38 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 3ima n ARG 145 Cb 0.06 -1.14 0.00 0.00 -1.05 0.00 0.00 32.46 30.33 3ima n ARG 145 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3ima n GLY 146 N 1.15 2.81 0.19 2.89 0.00 -1.26 -4.57 105.19 106.40 3ima n GLY 146 Ca 0.04 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.80 -3.68 3.48 -0.02 0.00 -1.26 -4.79 105.19 97.12 3ima n GLY 147 Ca 0.00 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.88 4.92 0.18 -0.61 1.01 -1.26 -4.13 121.20 120.43 3ima s ILE 148 Ca 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 3ima s ILE 148 Cb 0.00 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 38.19 3ima s ILE 148 CO 0.00 -0.64 1.28 0.12 0.00 0.00 0.00 174.94 175.70 3ima s PHE 149 N 2.54 3.31 0.00 3.97 5.36 0.13 -4.65 117.98 128.64 3ima s PHE 149 Ca 0.16 1.24 0.00 0.00 -0.96 0.00 0.00 56.93 57.38 3ima s PHE 149 Cb -0.17 -3.56 0.00 0.00 -0.34 0.00 0.00 43.02 38.95 3ima s PHE 149 CO 0.14 -1.74 0.45 1.33 -1.46 0.00 0.00 175.22 173.95 3ima n VAL 150 N 2.85 0.15 0.00 3.12 0.24 -1.26 -0.17 118.33 123.26 3ima n VAL 150 Ca 0.07 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 3ima n VAL 150 Cb 0.43 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 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 -0.07 0.73 3.73 7.63 0.00 -1.26 -4.56 105.19 111.39 3ima n GLY 151 Ca 0.00 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 3ima n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ima s PRO 152 N 0.00 1.74 -0.15 1.61 0.04 -1.26 -4.91 135.00 132.07 3ima s PRO 152 Ca 0.00 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.09 3ima s PRO 152 Cb 0.00 -1.82 0.13 0.00 0.04 0.00 0.00 34.50 32.84 3ima s PRO 152 CO 0.00 -2.06 1.01 0.00 0.04 0.00 0.00 177.00 175.99 3ima n GLY 154 N 0.58 0.50 0.23 0.00 0.00 -1.26 -4.49 105.19 100.75 3ima n GLY 154 Ca -0.09 -1.87 0.06 0.00 0.00 0.00 0.00 46.02 44.12 3ima n GLY 154 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ima n ASN 155 N -1.45 2.54 -4.53 1.61 2.04 -1.26 -3.67 115.26 110.53 3ima n ASN 155 Ca 0.00 -2.64 -0.43 0.00 -0.44 0.00 0.00 54.58 51.07 3ima n ASN 155 Cb 0.00 -0.30 -0.01 0.00 -2.53 0.00 0.00 39.78 36.95 3ima n ASN 155 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 3ima s LYS 156 N -2.11 3.92 0.36 -3.83 1.02 -1.26 -4.68 119.74 113.15 3ima s LYS 156 Ca 0.23 -1.99 -0.27 0.00 0.02 0.00 0.00 55.97 53.96 3ima s LYS 156 Cb 0.19 -5.32 -0.12 0.00 -0.52 0.00 0.00 37.83 32.06 3ima s LYS 156 CO 0.04 -2.07 1.25 1.33 -0.92 0.00 0.00 175.35 174.98 3ima n VAL 157 N 5.90 2.17 -1.37 3.17 0.24 -1.26 -4.52 118.33 122.65 3ima n VAL 157 Ca 0.41 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3ima n VAL 157 Cb 0.46 -1.51 0.00 0.00 -1.47 0.00 0.00 33.84 31.33 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 0.63 0.00 -3.82 -1.34 5.68 -0.29 -4.88 116.55 112.54 3ima n ASP 158 Ca 0.06 -1.00 -0.13 0.00 -0.50 0.00 0.00 54.79 53.22 3ima n ASP 158 Cb 0.37 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.21 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 -0.08 -0.15 2.11 5.04 -0.60 -4.90 115.29 116.71 3ima s HIS 159 Ca 0.00 0.25 -0.06 0.00 -1.54 0.00 0.00 55.06 53.71 3ima s HIS 159 Cb 0.00 -0.03 -0.04 0.00 0.04 0.00 0.00 32.58 32.55 3ima s HIS 159 CO 0.00 -0.07 0.06 0.00 -2.34 0.00 0.00 174.74 172.39 3ima s ALA 160 N 0.41 3.44 0.00 1.58 0.00 -1.26 -1.54 121.76 124.39 3ima s ALA 160 Ca -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3ima s ALA 160 Cb -0.04 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.26 3ima s ALA 160 CO -0.02 0.35 0.00 1.33 0.00 0.00 0.00 175.76 177.43 3ima n VAL 161 N 2.95 0.00 -3.97 0.00 0.24 0.27 -4.56 118.33 113.26 3ima n VAL 161 Ca -0.18 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 61.94 3ima n VAL 161 Cb 0.53 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.74 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 -2.00 0.43 -0.25 2.33 0.00 -1.06 -1.39 121.76 119.82 3ima s ALA 162 Ca 0.00 0.09 -0.23 0.00 0.00 0.00 0.00 51.96 51.82 3ima s ALA 162 Cb 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 3ima s ALA 162 CO 0.00 -0.09 0.77 0.00 0.00 0.00 0.00 175.76 176.43 3ima s ALA 163 N 1.08 3.63 -0.25 0.00 0.00 0.25 0.57 121.76 127.04 3ima s ALA 163 Ca -0.09 -0.24 0.09 0.00 0.00 0.00 0.00 51.96 51.72 3ima s ALA 163 Cb -0.14 -3.21 0.20 0.00 0.00 0.00 0.00 23.12 19.98 3ima s ALA 163 CO -0.01 -0.91 1.14 1.33 0.00 0.00 0.00 175.76 177.31 3ima n VAL 164 N 5.25 1.38 -1.45 0.00 0.24 0.57 -1.50 118.33 122.82 3ima n VAL 164 Ca 0.04 -1.41 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 3ima n VAL 164 Cb 0.48 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 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 -0.50 -1.70 3.81 7.63 0.00 -1.15 -1.33 105.19 111.95 3ima n GLY 165 Ca 0.09 -1.10 -0.03 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.42 -0.01 0.20 1.61 -0.85 -0.10 -0.32 117.35 115.46 3ima s TYR 166 Ca 0.00 -0.33 -0.01 0.00 -0.52 0.00 0.00 57.07 56.22 3ima s TYR 166 Cb 0.00 0.67 0.00 0.00 0.38 0.00 0.00 41.96 43.01 3ima s TYR 166 CO 0.00 -0.84 0.27 0.41 -1.52 0.00 0.00 175.55 173.87 3ima n GLY 167 N -0.59 2.59 0.33 5.49 0.00 0.41 -1.66 105.19 111.76 3ima n GLY 167 Ca -0.05 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 0.64 0.00 1.61 0.11 -1.98 -3.14 132.00 129.24 3ima h PRO 168 Ca -0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3ima h PRO 168 Cb 0.67 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3ima h PRO 168 CO 0.21 0.42 -0.01 0.09 -0.21 0.00 0.00 178.00 178.50 3ima n ASN 169 N -4.84 2.20 -3.67 -2.05 3.02 -1.26 -4.86 115.26 103.79 3ima n ASN 169 Ca 0.22 -2.79 -0.09 0.00 -0.03 0.00 0.00 54.58 51.89 3ima n ASN 169 Cb 0.55 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 3ima n ASN 169 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3ima s TYR 170 N -2.34 -0.33 -0.06 3.10 -0.85 -1.19 -2.10 117.35 113.59 3ima s TYR 170 Ca 0.23 -0.02 0.05 0.00 -0.52 0.00 0.00 57.07 56.82 3ima s TYR 170 Cb 0.20 0.64 -0.01 0.00 0.38 0.00 0.00 41.96 43.18 3ima s TYR 170 CO 0.02 -1.05 -0.23 0.42 -1.52 0.00 0.00 175.55 173.19 3ima s ILE 171 N -3.80 1.91 -0.22 -3.49 1.01 0.03 -0.45 121.20 116.18 3ima s ILE 171 Ca 0.07 -0.98 -0.20 0.00 0.00 0.00 0.00 60.65 59.54 3ima s ILE 171 Cb -0.04 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 3ima s ILE 171 CO -0.01 0.53 0.61 -0.22 0.00 0.00 0.00 174.94 175.85 3ima s LEU 172 N -0.06 4.11 -0.09 2.97 2.96 0.57 -1.36 118.68 127.77 3ima s LEU 172 Ca -0.05 0.74 0.05 0.00 -0.22 0.00 0.00 54.13 54.65 3ima s LEU 172 Cb -0.14 -2.84 -0.00 0.00 0.50 0.00 0.00 46.19 43.71 3ima s LEU 172 CO 0.04 -0.30 -0.24 -0.63 -1.32 0.00 0.00 176.35 173.90 3ima s ILE 173 N 2.14 2.05 -0.31 6.68 -1.09 -0.05 -0.31 121.20 130.30 3ima s ILE 173 Ca 0.27 -1.03 -0.17 0.00 -2.23 0.00 0.00 60.65 57.49 3ima s ILE 173 Cb -0.16 -1.76 -0.02 0.00 -1.58 0.00 0.00 42.46 38.95 3ima s ILE 173 CO 0.09 0.56 0.45 -0.75 -1.23 0.00 0.00 174.94 174.07 3ima s LYS 174 N 0.20 3.81 0.50 2.79 2.20 0.19 -1.12 119.74 128.31 3ima s LYS 174 Ca -0.14 -0.05 0.02 0.00 -0.36 0.00 0.00 55.97 55.44 3ima s LYS 174 Cb -0.17 -3.74 0.02 0.00 -1.51 0.00 0.00 37.83 32.44 3ima s LYS 174 CO 0.07 -0.47 0.71 1.21 -0.36 0.00 0.00 175.35 176.51 3ima s ASN 175 N 1.68 5.51 -0.40 1.43 3.84 -0.86 -2.57 114.94 123.59 3ima s ASN 175 Ca 0.17 0.02 0.05 0.00 0.21 0.00 0.00 52.86 53.31 3ima s ASN 175 Cb -0.16 -1.06 0.44 0.00 -0.55 0.00 0.00 41.25 39.92 3ima s ASN 175 CO 0.11 -0.94 1.21 -1.54 -2.79 0.00 0.00 177.10 173.15 3ima n SER 176 N -2.18 5.00 -0.59 -4.21 3.41 -1.26 -4.54 113.62 109.24 3ima n SER 176 Ca 0.06 -3.74 0.05 0.00 -0.26 0.00 0.00 58.87 54.98 3ima n SER 176 Cb 0.59 -0.44 0.20 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.60 0.21 0.00 7.33 8.01 -1.15 -1.04 117.44 130.20 3ima n TRP 177 Ca 0.42 -1.39 0.00 0.00 -1.31 0.00 0.00 57.50 55.22 3ima n TRP 177 Cb 0.78 -0.27 0.00 0.00 -2.01 0.00 0.00 31.31 29.81 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 -1.16 -1.30 0.01 6.99 0.00 -0.36 -4.44 105.19 104.92 3ima n GLY 178 Ca 0.21 -1.60 0.14 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.61 0.00 1.84 2.61 -2.24 -1.26 -3.71 114.28 109.91 3ima n THR 179 Ca 0.00 -0.01 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 3ima n THR 179 Cb 0.00 -0.28 0.89 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.46 -1.03 3.63 3.38 0.00 -1.26 -3.28 105.19 108.08 3ima n GLY 180 Ca 0.08 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.12 2.90 0.00 1.61 -0.00 -1.24 -4.97 118.94 115.12 3ima s TRP 181 Ca 0.43 -0.06 0.00 0.00 -0.00 0.00 0.00 56.10 56.47 3ima s TRP 181 Cb 0.21 -1.54 0.00 0.00 -0.00 0.00 0.00 33.47 32.14 3ima s TRP 181 CO 0.38 0.43 0.00 0.41 -0.00 0.00 0.00 176.95 178.17 3ima n GLY 182 N 0.94 2.29 3.40 5.86 0.00 -0.90 -0.33 105.19 116.45 3ima n GLY 182 Ca -0.13 -0.42 -0.45 0.00 0.00 0.00 0.00 46.02 45.02 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 4.05 -1.44 1.61 2.02 -0.48 -4.43 118.70 120.04 3ima s GLU 183 Ca 0.00 -2.77 -0.08 0.00 0.02 0.00 0.00 54.97 52.13 3ima s GLU 183 Cb 0.00 -4.77 0.05 0.00 0.10 0.00 0.00 34.13 29.50 3ima s GLU 183 CO 0.00 -1.50 0.66 0.09 0.02 0.00 0.00 175.26 174.53 3ima n ASN 184 N 4.30 -4.99 0.00 -0.19 5.03 -1.25 -2.19 115.26 115.97 3ima n ASN 184 Ca 0.28 -0.42 0.00 0.00 0.87 0.00 0.00 54.58 55.30 3ima n ASN 184 Cb 0.42 -4.05 0.00 0.00 -1.02 0.00 0.00 39.78 35.14 3ima n ASN 184 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ima n GLY 185 N -1.45 0.20 3.82 7.41 0.00 0.55 -4.62 105.19 111.10 3ima n GLY 185 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 2.81 -0.01 1.61 1.51 -0.93 -2.02 117.35 118.32 3ima s TYR 186 Ca 0.00 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 3ima s TYR 186 Cb 0.00 -1.82 0.00 0.00 -0.11 0.00 0.00 41.96 40.03 3ima s TYR 186 CO 0.00 0.18 0.03 -1.50 -1.11 0.00 0.00 175.55 173.15 3ima s ILE 187 N -2.37 0.01 -0.26 2.71 2.07 -0.27 -1.38 121.20 121.71 3ima s ILE 187 Ca 0.41 -0.10 -0.07 0.00 -1.41 0.00 0.00 60.65 59.49 3ima s ILE 187 Cb -0.04 -0.09 -0.01 0.00 0.13 0.00 0.00 42.46 42.45 3ima s ILE 187 CO 0.26 -0.05 0.06 -0.13 -1.91 0.00 0.00 174.94 173.17 3ima s ARG 188 N -0.15 3.45 -0.16 3.50 0.52 -1.26 -0.87 118.95 123.98 3ima s ARG 188 Ca -0.02 -0.61 -0.05 0.00 -0.52 0.00 0.00 55.73 54.53 3ima s ARG 188 Cb -0.01 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.11 3ima s ARG 188 CO -0.00 -0.27 0.00 0.42 0.02 0.00 0.00 175.30 175.47 3ima s ILE 189 N 1.57 4.27 0.26 1.52 1.01 -0.46 0.17 121.20 129.54 3ima s ILE 189 Ca 0.05 -0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.17 3ima s ILE 189 Cb -0.16 -2.88 -0.13 0.00 0.01 0.00 0.00 42.46 39.30 3ima s ILE 189 CO 0.03 0.50 1.41 1.17 0.00 0.00 0.00 174.94 178.04 3ima n LYS 190 N 3.37 2.13 -4.57 2.79 3.00 0.76 -0.79 118.16 124.84 3ima n LYS 190 Ca -0.17 0.76 -0.26 0.00 -0.00 0.00 0.00 58.31 58.63 3ima n LYS 190 Cb 0.52 -2.42 -0.10 0.00 0.00 0.00 0.00 35.03 33.04 3ima n LYS 190 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3ima s ARG 191 N -0.63 1.89 -0.15 1.64 1.70 -0.89 -4.49 118.95 118.01 3ima s ARG 191 Ca 0.66 -2.09 0.00 0.00 -0.47 0.00 0.00 55.73 53.83 3ima s ARG 191 Cb -0.62 -1.27 0.00 0.00 -0.57 0.00 0.00 34.95 32.49 3ima s ARG 191 CO 0.51 -0.18 0.00 0.41 -1.08 0.00 0.00 175.30 174.97 3ima n GLY 192 N -0.91 0.49 0.58 3.88 0.00 -1.26 -4.65 105.19 103.32 3ima n GLY 192 Ca -0.06 -1.02 0.14 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.96 0.00 -1.11 2.61 -2.24 -1.26 -4.93 114.28 104.40 3ima n THR 193 Ca -0.01 -0.30 -0.04 0.00 -2.27 0.00 0.00 64.05 61.43 3ima n THR 193 Cb 0.05 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 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 1.21 0.67 3.43 3.38 0.00 -1.26 -5.00 105.19 107.63 3ima n GLY 194 Ca 0.18 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.71 6.00 0.57 1.61 3.84 -1.26 -4.96 114.94 118.03 3ima s ASN 195 Ca 0.00 -0.97 0.35 0.00 0.21 0.00 0.00 52.86 52.45 3ima s ASN 195 Cb 0.00 -2.12 1.52 0.00 -0.55 0.00 0.00 41.25 40.10 3ima s ASN 195 CO 0.00 -0.45 2.04 0.28 -2.79 0.00 0.00 177.10 176.18 3ima h SER 196 N 8.58 0.00 0.77 -4.21 0.02 -1.94 -1.05 113.55 115.73 3ima h SER 196 Ca -0.27 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.59 3ima h SER 196 Cb 1.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 3ima h SER 196 CO 0.73 0.01 -0.45 1.88 -1.14 0.00 0.00 176.83 177.85 3ima h TYR 197 N 0.00 0.00 0.00 3.45 0.05 -1.93 -3.38 116.97 115.16 3ima h TYR 197 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3ima h TYR 197 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 3ima h TYR 197 CO 0.00 0.45 0.00 0.41 -1.05 0.00 0.00 178.16 177.97 3ima n GLY 198 N 0.24 -0.66 3.71 3.88 0.00 -0.40 -0.97 105.19 111.00 3ima n GLY 198 Ca -0.01 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 3ima n GLY 198 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ima n VAL 199 N -0.12 0.87 -1.98 1.61 0.31 -1.26 -0.34 118.33 117.42 3ima n VAL 199 Ca 0.00 -0.22 -0.17 0.00 -0.01 0.00 0.00 64.34 63.94 3ima n VAL 199 Cb 0.00 -1.75 -0.04 0.00 -0.91 0.00 0.00 33.84 31.14 3ima n VAL 199 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ima n GLY 201 N -0.64 1.00 0.36 0.00 0.00 0.54 -0.85 105.19 105.60 3ima n GLY 201 Ca -0.19 -0.54 0.16 0.00 0.00 0.00 0.00 46.02 45.45 3ima n GLY 201 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ima h LEU 202 N 0.00 0.00 -2.75 0.99 5.85 -1.07 -0.94 115.31 117.39 3ima h LEU 202 Ca -0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3ima h LEU 202 Cb 0.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.78 3ima h LEU 202 CO 0.31 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 177.19 3ima n TYR 203 N -3.12 0.99 -0.14 1.25 4.01 -0.14 -4.38 117.16 115.63 3ima n TYR 203 Ca 0.02 -0.50 -0.09 0.00 -0.16 0.00 0.00 57.90 57.17 3ima n TYR 203 Cb 0.54 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.56 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 4.34 1.21 -1.21 -0.72 2.02 -1.28 0.19 112.91 117.46 3ima h THR 204 Ca 0.00 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 3ima h THR 204 Cb 1.00 0.87 -0.23 0.00 -1.74 0.00 0.00 68.15 68.05 3ima h THR 204 CO 0.00 0.24 -0.43 -0.55 0.37 0.00 0.00 175.52 175.15 3ima s SER 205 N -5.92 -1.03 -0.08 4.18 0.15 -1.26 -4.67 113.70 105.06 3ima s SER 205 Ca -0.13 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.50 3ima s SER 205 Cb 0.10 1.75 -0.01 0.00 -1.71 0.00 0.00 66.02 66.16 3ima s SER 205 CO 0.76 -0.31 -0.22 -0.44 1.20 0.00 0.00 173.24 174.23 3ima s SER 206 N 2.66 3.27 0.12 5.45 0.01 -1.26 -3.64 113.70 120.31 3ima s SER 206 Ca 0.10 -0.49 0.05 0.00 1.31 0.00 0.00 55.95 56.92 3ima s SER 206 Cb -0.10 -1.19 -0.04 0.00 0.21 0.00 0.00 66.02 64.90 3ima s SER 206 CO -0.26 0.20 -0.12 -0.36 0.41 0.00 0.00 173.24 173.12 3ima s PHE 207 N 0.09 1.24 0.00 2.43 0.40 -0.42 -0.81 117.98 120.91 3ima s PHE 207 Ca -0.10 -0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 55.48 3ima s PHE 207 Cb -0.16 -0.65 0.01 0.00 0.51 0.00 0.00 43.02 42.73 3ima s PHE 207 CO 0.06 0.08 0.23 1.52 0.70 0.00 0.00 175.22 177.81 3ima s TYR 208 N -2.51 -0.06 0.37 0.36 1.13 -0.43 -0.90 117.35 115.31 3ima s TYR 208 Ca 0.09 0.01 -0.25 0.00 -1.41 0.00 0.00 57.07 55.52 3ima s TYR 208 Cb -0.03 0.02 -0.09 0.00 -1.10 0.00 0.00 41.96 40.76 3ima s TYR 208 CO 0.01 -0.37 1.00 -1.25 -2.51 0.00 0.00 175.55 172.44 3ima s PRO 209 N -1.63 4.34 -0.16 -3.49 0.04 -1.26 -1.44 135.00 131.40 3ima s PRO 209 Ca -0.12 1.42 -0.05 0.00 0.04 0.00 0.00 61.00 62.29 3ima s PRO 209 Cb -0.05 -2.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 3ima s PRO 209 CO 0.02 0.03 0.00 0.08 0.04 0.00 0.00 177.00 177.17 3ima s VAL 210 N -1.67 4.26 -0.19 -0.36 1.01 -0.17 -4.89 120.40 118.39 3ima s VAL 210 Ca 0.55 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 3ima s VAL 210 Cb -0.20 -2.88 0.06 0.00 0.00 0.00 0.00 36.38 33.36 3ima s VAL 210 CO 0.25 0.49 0.05 -0.75 0.00 0.00 0.00 175.10 175.14 3ima s LYS 211 N 0.26 0.56 0.00 2.72 2.47 -1.26 0.16 119.74 124.65 3ima s LYS 211 Ca -0.00 -0.39 0.02 0.00 -1.56 0.00 0.00 55.97 54.05 3ima s LYS 211 Cb -0.13 -2.06 0.15 0.00 -1.46 0.00 0.00 37.83 34.32 3ima s LYS 211 CO 0.02 -0.66 0.63 0.09 0.16 0.00 0.00 175.35 175.60