#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hkt n SER 44 N 0.00 -1.01 -0.71 1.61 3.41 -1.26 -4.98 113.62 110.67 1hkt n SER 44 Ca 0.00 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 1hkt n SER 44 Cb 0.00 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1hkt n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hkt n GLY 45 N -0.31 0.73 3.62 5.00 0.00 -1.26 -4.96 105.19 108.02 1hkt n GLY 45 Ca -0.24 -0.59 -0.47 0.00 0.00 0.00 0.00 46.02 44.72 1hkt n GLY 45 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1hkt n VAL 46 N -1.84 0.87 -0.73 1.61 0.31 -1.26 -4.89 118.33 112.40 1hkt n VAL 46 Ca 0.00 -0.22 -0.32 0.00 -0.01 0.00 0.00 64.34 63.79 1hkt n VAL 46 Cb 0.50 -1.14 0.15 0.00 -0.91 0.00 0.00 33.84 32.43 1hkt n VAL 46 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1hkt n PRO 47 N 1.94 -0.51 -0.06 5.55 -0.01 -1.26 -4.82 135.00 135.83 1hkt n PRO 47 Ca 0.14 -0.10 -0.00 0.00 -0.01 0.00 0.00 63.50 63.52 1hkt n PRO 47 Cb 0.28 -2.05 0.02 0.00 -0.01 0.00 0.00 33.50 31.73 1hkt n PRO 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1hkt n ALA 48 N -3.94 2.62 -0.10 3.55 0.00 -1.26 -3.71 120.51 117.66 1hkt n ALA 48 Ca 0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1hkt n ALA 48 Cb 0.53 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.92 1hkt n ALA 48 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1hkt n PHE 49 N 0.16 0.11 -0.03 0.00 -0.00 -1.26 -4.21 117.46 112.23 1hkt n PHE 49 Ca 0.02 0.05 -0.14 0.00 -0.00 0.00 0.00 57.45 57.38 1hkt n PHE 49 Cb 0.40 -0.64 -0.10 0.00 -0.00 0.00 0.00 39.48 39.14 1hkt n PHE 49 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1hkt h LEU 50 N -1.00 0.22 -1.99 -2.13 3.38 -1.95 -2.99 115.31 108.85 1hkt h LEU 50 Ca -0.15 -0.64 0.33 0.00 0.09 0.00 0.00 57.88 57.51 1hkt h LEU 50 Cb 1.09 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 1hkt h LEU 50 CO -0.09 0.82 0.83 0.00 0.09 0.00 0.00 178.44 180.09 1hkt h ALA 51 N 0.41 3.09 -0.06 1.53 0.00 -1.83 0.29 119.26 122.68 1hkt h ALA 51 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1hkt h ALA 51 Cb 0.81 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1hkt h ALA 51 CO 0.03 -1.42 -0.14 0.87 0.00 0.00 0.00 179.25 178.60 1hkt h LYS 52 N 0.00 0.20 -0.80 0.00 1.57 -1.70 -2.88 116.57 112.97 1hkt h LYS 52 Ca 0.55 -0.14 0.23 0.00 -1.87 0.00 0.00 60.65 59.43 1hkt h LYS 52 Cb 2.20 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 34.49 1hkt h LYS 52 CO -0.01 0.74 0.62 -0.07 -0.57 0.00 0.00 179.45 180.15 1hkt h LEU 53 N -0.31 0.00 -0.05 2.94 3.38 -0.34 0.30 115.31 121.23 1hkt h LEU 53 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1hkt h LEU 53 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1hkt h LEU 53 CO 0.03 0.00 -0.02 -0.25 0.09 0.00 0.00 178.44 178.29 1hkt h TRP 54 N 0.00 0.11 0.14 1.13 7.01 -1.24 -1.31 115.95 121.78 1hkt h TRP 54 Ca 0.38 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.35 1hkt h TRP 54 Cb 1.61 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.65 1hkt h TRP 54 CO 0.00 0.48 -0.07 0.00 -2.79 0.00 0.00 178.44 176.06 1hkt h ARG 55 N -0.29 -0.18 -0.80 2.65 2.47 -0.65 -3.03 114.38 114.56 1hkt h ARG 55 Ca 0.01 0.01 0.19 0.00 -1.26 0.00 0.00 59.98 58.93 1hkt h ARG 55 Cb 0.45 0.04 -0.13 0.00 -1.65 0.00 0.00 29.97 28.68 1hkt h ARG 55 CO 0.01 0.19 0.15 1.25 0.56 0.00 0.00 179.97 182.13 1hkt h LEU 56 N -0.57 -0.09 -8.89 3.04 5.85 -0.62 -3.35 115.31 110.68 1hkt h LEU 56 Ca -0.02 0.18 -0.57 0.00 0.84 0.00 0.00 57.88 58.31 1hkt h LEU 56 Cb 0.45 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1hkt h LEU 56 CO 0.03 -0.12 1.21 -0.69 -0.34 0.00 0.00 178.44 178.54 1hkt s VAL 57 N -6.02 3.59 0.06 1.05 1.01 -0.50 -4.74 120.40 114.84 1hkt s VAL 57 Ca -0.13 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1hkt s VAL 57 Cb 0.23 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1hkt s VAL 57 CO 0.76 -0.44 0.00 -0.67 0.00 0.00 0.00 175.10 174.75 1hkt n ASP 58 N 9.65 -3.63 -3.48 3.32 2.03 -1.26 -4.88 116.55 118.29 1hkt n ASP 58 Ca 0.21 0.27 -0.18 0.00 0.52 0.00 0.00 54.79 55.61 1hkt n ASP 58 Cb 0.47 -0.77 0.07 0.00 -0.72 0.00 0.00 41.12 40.17 1hkt n ASP 58 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1hkt n ASP 59 N -1.64 -2.15 0.00 1.67 8.00 -1.26 -4.87 116.55 116.30 1hkt n ASP 59 Ca 0.00 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.83 1hkt n ASP 59 Cb 0.12 -4.87 0.00 0.00 -0.02 0.00 0.00 41.12 36.35 1hkt n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hkt n ALA 60 N -4.11 0.00 -1.36 2.24 0.00 -1.26 -4.93 120.51 111.10 1hkt n ALA 60 Ca -0.28 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.88 1hkt n ALA 60 Cb 0.67 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.13 1hkt n ALA 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hkt n ASP 61 N 1.97 6.92 -1.95 0.00 8.00 -1.26 -4.44 116.55 125.79 1hkt n ASP 61 Ca 0.00 -3.40 0.02 0.00 0.71 0.00 0.00 54.79 52.13 1hkt n ASP 61 Cb 0.00 -1.10 0.37 0.00 -0.02 0.00 0.00 41.12 40.37 1hkt n ASP 61 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1hkt n THR 62 N 0.10 2.83 -1.30 -3.53 -2.24 -1.26 -4.81 114.28 104.06 1hkt n THR 62 Ca 0.47 -1.47 -0.40 0.00 -2.27 0.00 0.00 64.05 60.37 1hkt n THR 62 Cb 0.53 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 1hkt n THR 62 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1hkt n ASN 63 N 0.36 2.55 0.00 3.42 2.85 -1.26 -2.29 115.26 120.88 1hkt n ASN 63 Ca 0.33 -2.67 0.00 0.00 -0.11 0.00 0.00 54.58 52.12 1hkt n ASN 63 Cb 1.27 -1.21 0.00 0.00 1.24 0.00 0.00 39.78 41.08 1hkt n ASN 63 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1hkt n ARG 64 N 7.32 0.00 0.07 1.20 0.63 -1.26 -4.95 116.66 119.67 1hkt n ARG 64 Ca 0.48 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.33 1hkt n ARG 64 Cb 0.42 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.22 1hkt n ARG 64 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1hkt h LEU 65 N 0.00 0.08 -7.00 6.15 3.38 -1.83 -3.32 115.31 112.76 1hkt h LEU 65 Ca 0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1hkt h LEU 65 Cb 0.00 -0.02 -0.21 0.00 0.09 0.00 0.00 40.66 40.52 1hkt h LEU 65 CO 0.00 1.04 0.16 -0.51 0.09 0.00 0.00 178.44 179.22 1hkt s ILE 66 N -2.75 0.00 0.00 1.22 2.07 -0.97 -2.95 121.20 117.82 1hkt s ILE 66 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1hkt s ILE 66 Cb 0.10 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.69 1hkt s ILE 66 CO 0.83 0.00 0.00 0.00 -1.91 0.00 0.00 174.94 173.86 1hkt s TRP 68 N -8.91 2.71 0.26 0.00 0.52 -1.26 -1.87 118.94 110.38 1hkt s TRP 68 Ca 0.00 0.08 0.03 0.00 0.02 0.00 0.00 56.10 56.23 1hkt s TRP 68 Cb 0.00 -2.91 -0.05 0.00 -1.15 0.00 0.00 33.47 29.35 1hkt s TRP 68 CO 0.00 -1.13 0.03 0.95 0.02 0.00 0.00 176.95 176.82 1hkt s THR 69 N -2.94 0.97 0.00 2.01 -4.23 -1.09 -4.59 115.64 105.76 1hkt s THR 69 Ca 0.59 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1hkt s THR 69 Cb -0.10 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1hkt s THR 69 CO 0.41 -0.18 0.00 0.29 -0.54 0.00 0.00 174.62 174.60 1hkt n LYS 70 N -0.49 0.00 0.00 3.99 5.02 -1.26 -0.22 118.16 125.20 1hkt n LYS 70 Ca -0.03 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.26 1hkt n LYS 70 Cb 0.65 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.69 1hkt n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1hkt n ASP 71 N -3.67 0.00 0.00 4.39 8.00 -1.26 -4.48 116.55 119.53 1hkt n ASP 71 Ca 0.00 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1hkt n ASP 71 Cb 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 1hkt n ASP 71 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hkt n GLY 72 N -1.19 -0.92 3.72 0.44 0.00 0.69 -5.13 105.19 102.80 1hkt n GLY 72 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1hkt n GLY 72 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hkt s GLN 73 N 0.00 4.36 0.11 1.61 -1.52 -0.72 -4.66 119.66 118.83 1hkt s GLN 73 Ca 0.00 0.57 0.00 0.00 -1.95 0.00 0.00 55.36 53.98 1hkt s GLN 73 Cb 0.00 -3.43 0.00 0.00 -0.22 0.00 0.00 33.01 29.36 1hkt s GLN 73 CO 0.00 0.15 0.00 0.43 -0.25 0.00 0.00 175.29 175.62 1hkt n SER 74 N 3.64 -2.63 -3.55 5.90 7.64 -1.26 -4.10 113.62 119.26 1hkt n SER 74 Ca -0.06 0.19 -0.16 0.00 1.01 0.00 0.00 58.87 59.85 1hkt n SER 74 Cb 0.52 -1.35 -0.07 0.00 -1.01 0.00 0.00 64.21 62.30 1hkt n SER 74 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1hkt s PHE 75 N -1.45 1.34 0.13 1.43 -0.71 -1.22 -2.69 117.98 114.81 1hkt s PHE 75 Ca 0.00 -1.43 -0.07 0.00 -1.04 0.00 0.00 56.93 54.39 1hkt s PHE 75 Cb 0.00 -0.44 -0.02 0.00 -1.21 0.00 0.00 43.02 41.35 1hkt s PHE 75 CO 0.00 -0.91 0.19 0.54 -1.34 0.00 0.00 175.22 173.70 1hkt s VAL 76 N -3.53 0.10 -0.15 -2.49 0.11 -0.78 -3.33 120.40 110.33 1hkt s VAL 76 Ca 0.36 -1.49 -0.03 0.00 -2.93 0.00 0.00 61.98 57.89 1hkt s VAL 76 Cb 0.02 -1.76 0.05 0.00 -1.53 0.00 0.00 36.38 33.17 1hkt s VAL 76 CO 0.21 -0.46 0.06 -0.63 -3.33 0.00 0.00 175.10 170.94 1hkt s ILE 77 N -3.96 0.19 0.00 7.04 1.01 -1.10 -2.34 121.20 122.04 1hkt s ILE 77 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1hkt s ILE 77 Cb 0.05 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.84 1hkt s ILE 77 CO -0.03 -0.13 0.06 0.00 0.00 0.00 0.00 174.94 174.84 1hkt n GLN 78 N 5.18 0.00 -1.92 2.79 6.02 -1.15 -3.20 117.38 125.10 1hkt n GLN 78 Ca -0.07 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.61 1hkt n GLN 78 Cb 0.49 -0.47 0.01 0.00 1.02 0.00 0.00 30.24 31.28 1hkt n GLN 78 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1hkt s ASN 79 N -1.80 6.20 -0.12 1.08 -0.87 -1.26 -4.32 114.94 113.85 1hkt s ASN 79 Ca 0.00 1.47 0.15 0.00 -1.57 0.00 0.00 52.86 52.90 1hkt s ASN 79 Cb 0.00 -2.48 -0.21 0.00 -0.02 0.00 0.00 41.25 38.54 1hkt s ASN 79 CO 0.00 -0.89 0.14 0.00 -2.57 0.00 0.00 177.10 173.78 1hkt n GLN 80 N -2.61 1.20 0.00 -0.60 6.02 -1.26 -4.22 117.38 115.90 1hkt n GLN 80 Ca 0.06 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1hkt n GLN 80 Cb 0.54 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.40 1hkt n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hkt n ALA 81 N -2.45 0.00 0.26 -1.58 0.00 -1.26 -3.58 120.51 111.91 1hkt n ALA 81 Ca -0.19 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.28 1hkt n ALA 81 Cb 0.86 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.50 1hkt n ALA 81 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1hkt h GLN 82 N 0.00 0.00 -0.59 0.00 -0.00 -2.00 0.38 115.11 112.91 1hkt h GLN 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1hkt h GLN 82 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1hkt h GLN 82 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 178.83 179.17 1hkt n PHE 83 N -2.31 0.00 0.00 3.99 7.35 -1.23 -3.40 117.46 121.86 1hkt n PHE 83 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1hkt n PHE 83 Cb 0.73 -0.06 0.00 0.00 0.35 0.00 0.00 39.48 40.50 1hkt n PHE 83 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1hkt n ALA 84 N 0.08 0.71 0.00 3.13 0.00 0.13 -4.61 120.51 119.95 1hkt n ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hkt n ALA 84 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1hkt n ALA 84 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1hkt n LYS 85 N -1.08 0.00 0.00 0.00 4.01 -1.20 -2.41 118.16 117.49 1hkt n LYS 85 Ca 0.00 0.19 0.00 0.00 -0.51 0.00 0.00 58.31 57.99 1hkt n LYS 85 Cb 0.00 -1.80 0.00 0.00 -0.51 0.00 0.00 35.03 32.72 1hkt n LYS 85 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1hkt n GLU 86 N -1.18 0.00 -0.07 1.97 1.02 -1.26 -4.92 120.64 116.20 1hkt n GLU 86 Ca 0.00 -0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.06 1hkt n GLU 86 Cb 0.30 -0.11 -0.11 0.00 -0.02 0.00 0.00 31.44 31.49 1hkt n GLU 86 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1hkt n LEU 87 N 0.00 0.23 -0.01 -4.62 4.77 -1.01 -4.45 117.00 111.91 1hkt n LEU 87 Ca 0.00 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 1hkt n LEU 87 Cb 0.26 0.27 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 1hkt n LEU 87 CO 0.00 0.39 -0.54 -0.07 -1.33 0.00 0.00 177.39 175.84 1hkt h LEU 88 N 0.00 0.09 -0.33 2.23 3.38 -1.79 -3.38 115.31 115.51 1hkt h LEU 88 Ca -0.39 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.30 1hkt h LEU 88 Cb 1.86 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 1hkt h LEU 88 CO 0.01 1.18 -0.13 1.55 0.09 0.00 0.00 178.44 181.14 1hkt h PRO 89 N 0.02 0.68 -1.00 1.13 0.14 -1.71 0.28 132.00 131.53 1hkt h PRO 89 Ca -0.30 -0.28 -0.02 0.00 0.14 0.00 0.00 66.00 65.54 1hkt h PRO 89 Cb 2.01 -0.03 -0.01 0.00 0.14 0.00 0.00 31.00 33.11 1hkt h PRO 89 CO 0.09 0.87 0.03 1.28 0.14 0.00 0.00 178.00 180.41 1hkt n LEU 90 N -4.38 2.91 0.00 1.56 4.32 -1.26 -2.54 117.00 117.61 1hkt n LEU 90 Ca -0.03 -1.46 0.00 0.00 -0.02 0.00 0.00 56.01 54.50 1hkt n LEU 90 Cb 0.37 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 1hkt n LEU 90 CO 0.42 0.49 0.00 0.59 -1.22 0.00 0.00 177.39 177.67 1hkt n ASN 91 N 0.37 0.00 -0.86 -1.43 4.13 -1.02 -4.90 115.26 111.55 1hkt n ASN 91 Ca 0.03 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.37 1hkt n ASN 91 Cb 0.52 0.25 0.23 0.00 -1.54 0.00 0.00 39.78 39.24 1hkt n ASN 91 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1hkt n TYR 92 N -2.45 0.58 -3.76 3.10 4.01 0.94 -4.93 117.16 114.64 1hkt n TYR 92 Ca 0.00 -0.29 -0.23 0.00 -0.16 0.00 0.00 57.90 57.23 1hkt n TYR 92 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.05 1hkt n TYR 92 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1hkt n LYS 93 N 0.87 -4.64 -3.61 -0.72 4.01 -0.95 -4.94 118.16 108.17 1hkt n LYS 93 Ca 0.16 0.58 -0.09 0.00 -0.51 0.00 0.00 58.31 58.45 1hkt n LYS 93 Cb 0.41 -5.08 -0.06 0.00 -0.51 0.00 0.00 35.03 29.79 1hkt n LYS 93 CO 0.00 0.00 0.00 -3.38 -1.11 0.00 0.00 177.40 172.91 1hkt s HIS 94 N -3.70 -0.35 -0.81 2.13 -3.43 -1.21 -4.94 115.29 102.98 1hkt s HIS 94 Ca 0.05 0.73 0.22 0.00 -0.80 0.00 0.00 55.06 55.26 1hkt s HIS 94 Cb -0.02 0.43 -0.04 0.00 -1.43 0.00 0.00 32.58 31.52 1hkt s HIS 94 CO 0.83 -0.25 0.99 0.09 -2.00 0.00 0.00 174.74 174.40 1hkt n ASN 95 N 1.32 0.72 -4.68 7.38 3.02 -1.26 -2.97 115.26 118.79 1hkt n ASN 95 Ca -0.10 -0.57 -0.58 0.00 -0.03 0.00 0.00 54.58 53.30 1hkt n ASN 95 Cb 0.57 0.90 -0.08 0.00 -0.61 0.00 0.00 39.78 40.57 1hkt n ASN 95 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1hkt n ASN 96 N -1.69 2.17 -0.06 6.41 4.13 -1.26 -4.86 115.26 120.10 1hkt n ASN 96 Ca 0.03 1.02 -0.05 0.00 1.68 0.00 0.00 54.58 57.27 1hkt n ASN 96 Cb 0.38 -1.11 -0.02 0.00 -1.54 0.00 0.00 39.78 37.50 1hkt n ASN 96 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1hkt n MET 97 N 5.53 0.34 -0.29 3.52 0.00 -1.26 -3.94 117.12 121.03 1hkt n MET 97 Ca 0.29 0.32 0.34 0.00 -0.00 0.00 0.00 57.70 58.65 1hkt n MET 97 Cb 0.11 -1.31 0.74 0.00 0.00 0.00 0.00 33.22 32.76 1hkt n MET 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1hkt h ALA 98 N -1.29 3.05 -0.29 -5.12 0.00 -1.98 1.05 119.26 114.70 1hkt h ALA 98 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1hkt h ALA 98 Cb 0.51 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1hkt h ALA 98 CO 0.00 -1.38 -0.18 0.66 0.00 0.00 0.00 179.25 178.34 1hkt h SER 99 N 0.00 0.51 -0.02 0.00 4.64 -1.96 -1.54 113.55 115.18 1hkt h SER 99 Ca 0.53 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1hkt h SER 99 Cb 2.14 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 64.10 1hkt h SER 99 CO -0.01 0.71 -0.00 0.15 -0.87 0.00 0.00 176.83 176.81 1hkt h PHE 100 N 0.46 0.04 -0.99 4.77 3.57 0.10 -2.82 116.94 122.08 1hkt h PHE 100 Ca 0.08 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.64 1hkt h PHE 100 Cb 0.59 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.25 1hkt h PHE 100 CO 0.02 0.37 0.64 0.82 -2.23 0.00 0.00 178.31 177.93 1hkt h ILE 101 N -0.29 1.08 -0.85 1.41 2.04 -1.28 -0.37 117.51 119.24 1hkt h ILE 101 Ca 0.01 -0.40 0.12 0.00 1.00 0.00 0.00 64.86 65.59 1hkt h ILE 101 Cb 0.36 -0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.17 1hkt h ILE 101 CO 0.00 0.21 0.47 0.03 0.00 0.00 0.00 178.15 178.87 1hkt h ARG 102 N 1.16 0.71 0.00 2.37 3.08 -1.07 0.32 114.38 120.96 1hkt h ARG 102 Ca 0.43 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.40 1hkt h ARG 102 Cb 0.18 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1hkt h ARG 102 CO -0.17 0.47 -0.18 1.96 -1.07 0.00 0.00 179.97 180.98 1hkt h GLN 103 N 0.74 0.00 -0.38 0.04 4.20 -0.83 -2.57 115.11 116.30 1hkt h GLN 103 Ca 0.44 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 59.03 1hkt h GLN 103 Cb 0.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1hkt h GLN 103 CO -0.30 0.18 -0.23 -0.07 -0.67 0.00 0.00 178.83 177.74 1hkt h LEU 104 N 0.00 0.86 -1.88 1.46 3.38 -0.02 -2.54 115.31 116.58 1hkt h LEU 104 Ca -0.00 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1hkt h LEU 104 Cb 0.38 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1hkt h LEU 104 CO 0.02 1.10 -0.13 -0.55 0.09 0.00 0.00 178.44 178.97 1hkt h ASN 105 N 0.63 0.00 0.08 -0.43 7.08 -1.04 -1.64 115.58 120.27 1hkt h ASN 105 Ca 0.08 0.00 -0.18 0.00 -3.08 0.00 0.00 56.30 53.12 1hkt h ASN 105 Cb 0.79 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.03 1hkt h ASN 105 CO 0.06 0.13 -0.65 0.24 -2.08 0.00 0.00 177.43 175.13 1hkt h MET 106 N 0.00 0.54 0.00 4.14 2.86 -1.32 -2.66 114.93 118.49 1hkt h MET 106 Ca -0.00 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1hkt h MET 106 Cb 0.27 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1hkt h MET 106 CO 0.02 1.01 0.00 0.66 1.06 0.00 0.00 176.91 179.66 1hkt n TYR 107 N -3.91 0.00 -1.72 -0.22 4.01 -0.68 -2.20 117.16 112.44 1hkt n TYR 107 Ca -0.04 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1hkt n TYR 107 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 1hkt n TYR 107 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hkt n GLY 108 N 0.89 0.71 3.93 2.72 0.00 -1.00 -4.76 105.19 107.67 1hkt n GLY 108 Ca 0.22 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 1hkt n GLY 108 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hkt s PHE 109 N -3.01 3.45 -0.37 1.61 0.40 -0.84 -4.95 117.98 114.25 1hkt s PHE 109 Ca 0.01 0.10 0.04 0.00 -0.60 0.00 0.00 56.93 56.48 1hkt s PHE 109 Cb -0.00 -1.65 0.16 0.00 0.51 0.00 0.00 43.02 42.04 1hkt s PHE 109 CO 0.02 0.52 0.42 -3.38 0.70 0.00 0.00 175.22 173.49 1hkt s HIS 110 N -1.74 -0.55 0.90 0.36 -3.43 -1.26 -4.77 115.29 104.79 1hkt s HIS 110 Ca 0.34 -0.60 -0.12 0.00 -0.80 0.00 0.00 55.06 53.88 1hkt s HIS 110 Cb -0.11 -0.29 0.13 0.00 -1.43 0.00 0.00 32.58 30.88 1hkt s HIS 110 CO 0.28 -1.00 1.10 -1.59 -2.00 0.00 0.00 174.74 171.53 1hkt s LYS 111 N 1.56 1.25 -0.93 -0.38 -2.85 -1.26 -4.26 119.74 112.87 1hkt s LYS 111 Ca 0.16 0.57 -0.00 0.00 -1.00 0.00 0.00 55.97 55.70 1hkt s LYS 111 Cb -0.13 -1.83 0.33 0.00 -2.06 0.00 0.00 37.83 34.14 1hkt s LYS 111 CO -0.06 -2.18 1.74 -0.89 0.10 0.00 0.00 175.35 174.06 1hkt n ILE 112 N -3.80 5.24 -2.00 3.79 2.08 -1.01 -4.25 119.36 119.41 1hkt n ILE 112 Ca 0.06 -5.63 0.00 0.00 0.56 0.00 0.00 62.75 57.74 1hkt n ILE 112 Cb 0.57 -1.47 0.00 0.00 -0.75 0.00 0.00 39.64 37.99 1hkt n ILE 112 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1hkt n THR 113 N -0.17 0.00 -2.98 1.39 -1.04 -1.26 -4.79 114.28 105.42 1hkt n THR 113 Ca 0.46 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 62.03 1hkt n THR 113 Cb 0.28 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.76 1hkt n THR 113 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1hkt s SER 114 N 0.00 6.40 -0.21 8.00 0.15 -1.26 -4.97 113.70 121.81 1hkt s SER 114 Ca 0.00 -1.65 -0.16 0.00 0.70 0.00 0.00 55.95 54.85 1hkt s SER 114 Cb 0.00 -2.37 0.06 0.00 -1.71 0.00 0.00 66.02 62.00 1hkt s SER 114 CO 0.00 -1.15 0.54 -0.51 1.20 0.00 0.00 173.24 173.32 1hkt s ILE 115 N 2.89 -0.01 0.00 6.45 -1.16 -1.26 -5.14 121.20 122.98 1hkt s ILE 115 Ca 0.23 0.02 0.00 0.00 -0.51 0.00 0.00 60.65 60.40 1hkt s ILE 115 Cb -0.13 -0.77 0.00 0.00 0.61 0.00 0.00 42.46 42.17 1hkt s ILE 115 CO -0.00 0.01 0.00 -0.90 -2.81 0.00 0.00 174.94 171.24 1hkt n ASP 116 N 3.49 0.00 -4.73 4.50 5.75 -1.26 -4.89 116.55 119.41 1hkt n ASP 116 Ca -0.17 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.19 1hkt n ASP 116 Cb 0.56 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.62 1hkt n ASP 116 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1hkt s ASN 117 N -1.00 7.21 0.00 -1.12 4.22 -1.26 -4.88 114.94 118.11 1hkt s ASN 117 Ca 0.00 2.03 0.00 0.00 -2.14 0.00 0.00 52.86 52.75 1hkt s ASN 117 Cb 0.00 -2.59 0.00 0.00 1.28 0.00 0.00 41.25 39.94 1hkt s ASN 117 CO 0.00 -0.31 0.00 0.61 -2.04 0.00 0.00 177.10 175.36 1hkt n GLY 118 N 2.53 -1.27 0.49 0.45 0.00 -1.26 -5.13 105.19 101.00 1hkt n GLY 118 Ca 0.05 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1hkt n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hkt n GLY 119 N 0.00 -3.68 0.85 -0.02 0.00 -1.26 -4.62 105.19 96.47 1hkt n GLY 119 Ca 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 46.02 45.11 1hkt n GLY 119 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1hkt n LEU 120 N -0.49 2.31 -4.60 0.99 -0.00 -1.26 -4.92 117.00 109.04 1hkt n LEU 120 Ca 0.00 -1.17 -0.54 0.00 -0.00 0.00 0.00 56.01 54.30 1hkt n LEU 120 Cb 0.00 -0.52 -0.07 0.00 -0.00 0.00 0.00 43.42 42.83 1hkt n LEU 120 CO 0.00 0.41 0.91 0.54 -0.00 0.00 0.00 177.39 179.25 1hkt n ARG 121 N 0.19 0.93 -2.71 1.47 5.12 -1.26 -4.86 116.66 115.53 1hkt n ARG 121 Ca 0.04 0.34 -0.08 0.00 -1.93 0.00 0.00 57.85 56.22 1hkt n ARG 121 Cb 0.46 -1.96 0.11 0.00 -1.16 0.00 0.00 32.46 29.92 1hkt n ARG 121 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 1hkt n PHE 122 N 2.80 -2.53 -0.28 -1.55 -1.74 -1.26 -5.00 117.46 107.90 1hkt n PHE 122 Ca 0.20 -2.00 -0.02 0.00 -0.56 0.00 0.00 57.45 55.07 1hkt n PHE 122 Cb 0.16 1.58 0.05 0.00 1.52 0.00 0.00 39.48 42.78 1hkt n PHE 122 CO 0.00 0.00 0.00 -0.44 -0.56 0.00 0.00 176.76 175.76 1hkt h ASP 123 N 2.31 -1.10 0.00 5.98 5.19 -1.99 -3.38 116.42 123.42 1hkt h ASP 123 Ca -0.22 0.25 -0.05 0.00 -0.62 0.00 0.00 57.03 56.39 1hkt h ASP 123 Cb 1.24 0.60 -0.05 0.00 0.18 0.00 0.00 39.33 41.30 1hkt h ASP 123 CO -0.00 -0.29 -0.11 -2.11 -3.12 0.00 0.00 179.24 173.61 1hkt n ARG 124 N -5.48 0.12 -2.44 3.56 1.85 -1.26 -4.94 116.66 108.08 1hkt n ARG 124 Ca 0.08 -0.40 -0.04 0.00 -1.00 0.00 0.00 57.85 56.49 1hkt n ARG 124 Cb 0.39 0.42 0.01 0.00 -1.05 0.00 0.00 32.46 32.23 1hkt n ARG 124 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1hkt n ASP 125 N -0.14 -2.47 -4.46 2.89 8.00 -1.26 -4.12 116.55 114.99 1hkt n ASP 125 Ca -0.10 -0.06 -0.17 0.00 0.71 0.00 0.00 54.79 55.17 1hkt n ASP 125 Cb 0.48 -1.38 -0.17 0.00 -0.02 0.00 0.00 41.12 40.03 1hkt n ASP 125 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1hkt n GLU 126 N -1.38 0.12 -3.46 -1.24 2.13 -1.26 -4.77 120.64 110.78 1hkt n GLU 126 Ca -0.02 -0.24 -0.43 0.00 0.66 0.00 0.00 57.16 57.13 1hkt n GLU 126 Cb 0.52 -1.66 -0.04 0.00 0.27 0.00 0.00 31.44 30.53 1hkt n GLU 126 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1hkt s ILE 127 N 3.68 5.07 -0.29 6.31 2.07 -1.19 -4.64 121.20 132.20 1hkt s ILE 127 Ca 1.08 -2.87 -0.13 0.00 -1.41 0.00 0.00 60.65 57.31 1hkt s ILE 127 Cb -0.58 -4.15 -0.04 0.00 0.13 0.00 0.00 42.46 37.82 1hkt s ILE 127 CO 0.39 -1.02 0.30 -0.70 -1.91 0.00 0.00 174.94 172.01 1hkt s GLU 128 N -0.25 3.89 -0.20 3.50 2.12 -1.26 -2.71 118.70 123.78 1hkt s GLU 128 Ca 0.20 -0.20 -0.12 0.00 0.36 0.00 0.00 54.97 55.21 1hkt s GLU 128 Cb -0.12 -3.69 -0.05 0.00 0.26 0.00 0.00 34.13 30.53 1hkt s GLU 128 CO -0.08 -0.30 0.23 -0.06 -0.54 0.00 0.00 175.26 174.52 1hkt s PHE 129 N 1.94 3.39 -0.18 5.30 0.08 -1.21 -2.41 117.98 124.87 1hkt s PHE 129 Ca 0.11 0.42 -0.08 0.00 0.12 0.00 0.00 56.93 57.51 1hkt s PHE 129 Cb -0.16 -2.31 0.08 0.00 -0.57 0.00 0.00 43.02 40.05 1hkt s PHE 129 CO 0.11 0.15 0.41 0.45 -0.10 0.00 0.00 175.22 176.23 1hkt s SER 130 N 0.74 -0.30 0.00 1.36 0.15 -1.26 -3.40 113.70 110.99 1hkt s SER 130 Ca 0.12 0.94 -0.02 0.00 0.70 0.00 0.00 55.95 57.69 1hkt s SER 130 Cb -0.13 1.12 -0.01 0.00 -1.71 0.00 0.00 66.02 65.29 1hkt s SER 130 CO 0.03 -0.22 0.03 -1.38 1.20 0.00 0.00 173.24 172.91 1hkt s HIS 131 N 2.20 0.10 0.00 3.44 -3.43 -1.26 -4.46 115.29 111.88 1hkt s HIS 131 Ca -0.04 -0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.01 1hkt s HIS 131 Cb -0.11 -0.09 0.00 0.00 -1.43 0.00 0.00 32.58 30.96 1hkt s HIS 131 CO -0.13 -0.15 0.48 -0.35 -2.00 0.00 0.00 174.74 172.59 1hkt n PRO 132 N 2.09 0.25 -2.02 -0.38 -0.04 -1.26 -3.46 135.00 130.19 1hkt n PRO 132 Ca -0.19 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.25 1hkt n PRO 132 Cb 0.57 -1.38 0.04 0.00 -0.04 0.00 0.00 33.50 32.69 1hkt n PRO 132 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1hkt n PHE 133 N 1.81 -0.35 -2.98 0.54 3.01 -1.26 -5.00 117.46 113.23 1hkt n PHE 133 Ca 0.00 -1.24 -0.15 0.00 1.01 0.00 0.00 57.45 57.07 1hkt n PHE 133 Cb 0.12 0.53 -0.01 0.00 -0.01 0.00 0.00 39.48 40.11 1hkt n PHE 133 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1hkt n PHE 134 N -0.51 -2.15 -4.07 1.38 7.35 -1.22 -4.41 117.46 113.82 1hkt n PHE 134 Ca -0.10 -2.48 -0.14 0.00 -0.76 0.00 0.00 57.45 53.97 1hkt n PHE 134 Cb 0.87 0.76 -0.04 0.00 0.35 0.00 0.00 39.48 41.42 1hkt n PHE 134 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1hkt n LYS 135 N 1.92 0.50 -0.01 -4.13 5.02 -1.26 -4.42 118.16 115.77 1hkt n LYS 135 Ca 0.17 -2.49 -0.05 0.00 -2.02 0.00 0.00 58.31 53.92 1hkt n LYS 135 Cb 0.57 2.26 -0.04 0.00 -0.02 0.00 0.00 35.03 37.80 1hkt n LYS 135 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1hkt h ARG 136 N 0.00 -0.09 -6.35 1.97 1.12 -2.00 -3.46 114.38 105.56 1hkt h ARG 136 Ca -0.21 0.01 -0.48 0.00 -1.11 0.00 0.00 59.98 58.18 1hkt h ARG 136 Cb 0.99 0.02 0.25 0.00 -0.01 0.00 0.00 29.97 31.22 1hkt h ARG 136 CO 0.30 0.16 -1.82 0.27 -3.11 0.00 0.00 179.97 175.77 1hkt n ASN 137 N -4.81 -2.85 -3.16 -3.80 6.94 -1.26 -4.03 115.26 102.29 1hkt n ASN 137 Ca -0.04 -0.03 -0.22 0.00 -0.02 0.00 0.00 54.58 54.28 1hkt n ASN 137 Cb 0.14 -0.76 0.02 0.00 -2.36 0.00 0.00 39.78 36.82 1hkt n ASN 137 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1hkt n SER 138 N 0.87 -6.78 -1.40 0.53 7.64 -1.26 -4.66 113.62 108.56 1hkt n SER 138 Ca -0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1hkt n SER 138 Cb 0.67 -3.51 0.00 0.00 -1.01 0.00 0.00 64.21 60.36 1hkt n SER 138 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1hkt n PRO 139 N -0.13 0.39 0.00 1.43 -0.05 -1.26 -2.31 135.00 133.08 1hkt n PRO 139 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.46 1hkt n PRO 139 Cb 0.54 -1.30 0.00 0.00 -0.05 0.00 0.00 33.50 32.69 1hkt n PRO 139 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 175.50 177.42 1hkt n PHE 140 N 1.30 0.00 0.22 0.54 1.16 -1.26 -4.81 117.46 114.60 1hkt n PHE 140 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.63 1hkt n PHE 140 Cb 0.20 0.00 0.47 0.00 -1.61 0.00 0.00 39.48 38.54 1hkt n PHE 140 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1hkt h LEU 141 N 0.00 0.00 0.37 5.98 3.38 -1.75 -2.89 115.31 120.40 1hkt h LEU 141 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1hkt h LEU 141 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1hkt h LEU 141 CO 0.00 0.22 -0.18 -0.07 0.09 0.00 0.00 178.44 178.51 1hkt h LEU 142 N 0.00 -0.42 0.00 1.67 3.38 -1.84 -2.76 115.31 115.34 1hkt h LEU 142 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1hkt h LEU 142 Cb 0.40 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1hkt h LEU 142 CO 0.03 -0.19 0.07 -0.67 0.09 0.00 0.00 178.44 177.76 1hkt n ASP 143 N -3.91 0.00 0.06 -0.43 -0.08 -1.21 -0.23 116.55 110.75 1hkt n ASP 143 Ca -0.06 0.22 0.06 0.00 -1.51 0.00 0.00 54.79 53.49 1hkt n ASP 143 Cb 0.19 -0.22 -0.05 0.00 2.34 0.00 0.00 41.12 43.39 1hkt n ASP 143 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1hkt n GLN 144 N -1.17 0.62 -2.52 -0.67 0.00 -1.05 -4.85 117.38 107.74 1hkt n GLN 144 Ca 0.00 0.15 -0.42 0.00 -0.00 0.00 0.00 57.00 56.73 1hkt n GLN 144 Cb 0.07 -1.80 -0.03 0.00 0.00 0.00 0.00 30.24 28.48 1hkt n GLN 144 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1hkt s ILE 145 N -3.15 4.33 0.21 1.69 1.01 0.68 -5.03 121.20 120.95 1hkt s ILE 145 Ca -0.02 1.67 0.01 0.00 0.00 0.00 0.00 60.65 62.31 1hkt s ILE 145 Cb 0.09 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 1hkt s ILE 145 CO 0.81 0.10 0.07 -0.54 0.00 0.00 0.00 174.94 175.37 1hkt s LYS 146 N 1.30 1.22 -1.57 2.79 3.01 -1.26 -5.04 119.74 120.19 1hkt s LYS 146 Ca 0.56 -1.63 -0.09 0.00 -1.01 0.00 0.00 55.97 53.80 1hkt s LYS 146 Cb -0.26 -0.12 -0.05 0.00 -1.01 0.00 0.00 37.83 36.40 1hkt s LYS 146 CO 0.27 -0.25 2.84 -2.13 0.51 0.00 0.00 175.35 176.59 1hkt n ARG 147 N -0.31 3.88 0.00 1.68 0.63 -1.26 -4.25 116.66 117.02 1hkt n ARG 147 Ca -0.02 -2.46 0.00 0.00 -0.92 0.00 0.00 57.85 54.44 1hkt n ARG 147 Cb 0.65 -2.77 0.00 0.00 0.45 0.00 0.00 32.46 30.79 1hkt n ARG 147 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75