#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkx n ALA 0 N 0.00 3.12 0.00 5.20 0.00 -1.26 -4.37 120.51 123.20 3gkx n ALA 0 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.61 3gkx n ALA 0 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.04 3gkx n ALA 0 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gkx n LYS 2 N 3.20 0.00 -3.74 0.00 5.02 -1.26 -1.81 118.16 119.57 3gkx n LYS 2 Ca 0.19 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.24 3gkx n LYS 2 Cb 0.28 -0.54 -0.17 0.00 -0.02 0.00 0.00 35.03 34.58 3gkx n LYS 2 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3gkx s THR 3 N 0.00 0.35 -0.25 -0.18 2.01 -1.26 -4.38 115.64 111.93 3gkx s THR 3 Ca 0.00 -0.10 -0.08 0.00 0.31 0.00 0.00 61.69 61.82 3gkx s THR 3 Cb 0.00 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 3gkx s THR 3 CO 0.00 0.06 0.09 -0.22 -0.69 0.00 0.00 174.62 173.86 3gkx s LEU 4 N 1.96 3.57 -0.42 4.42 2.96 0.83 -0.92 118.68 131.09 3gkx s LEU 4 Ca 0.03 -0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 53.67 3gkx s LEU 4 Cb -0.14 -1.97 0.06 0.00 0.50 0.00 0.00 46.19 44.64 3gkx s LEU 4 CO -0.06 -0.03 0.29 0.12 -1.32 0.00 0.00 176.35 175.34 3gkx s PHE 5 N 1.59 3.28 -0.24 5.38 5.99 -0.48 -0.15 117.98 133.36 3gkx s PHE 5 Ca 0.06 -1.17 -0.08 0.00 0.00 0.00 0.00 56.93 55.74 3gkx s PHE 5 Cb -0.15 -2.86 -0.04 0.00 0.00 0.00 0.00 43.02 39.97 3gkx s PHE 5 CO 0.05 -0.77 0.10 -0.51 -0.00 0.00 0.00 175.22 174.09 3gkx s LEU 6 N 1.53 3.72 0.17 6.12 1.02 0.10 -1.12 118.68 130.21 3gkx s LEU 6 Ca 0.03 -0.06 -0.10 0.00 0.02 0.00 0.00 54.13 54.02 3gkx s LEU 6 Cb -0.22 -1.99 -0.01 0.00 0.02 0.00 0.00 46.19 43.99 3gkx s LEU 6 CO 0.05 0.03 0.31 0.00 0.02 0.00 0.00 176.35 176.76 3gkx s GLN 7 N 1.25 1.19 -0.28 1.70 -2.07 0.03 -0.96 119.66 120.53 3gkx s GLN 7 Ca 0.05 -1.15 0.01 0.00 -1.82 0.00 0.00 55.36 52.45 3gkx s GLN 7 Cb -0.14 0.39 0.05 0.00 -1.09 0.00 0.00 33.01 32.22 3gkx s GLN 7 CO 0.04 -0.45 -0.06 -0.47 -1.32 0.00 0.00 175.29 173.03 3gkx s TYR 8 N -3.96 3.25 0.45 9.60 5.04 -1.26 -1.03 117.35 129.44 3gkx s TYR 8 Ca 0.17 -2.11 0.13 0.00 -2.44 0.00 0.00 57.07 52.82 3gkx s TYR 8 Cb 0.03 -2.01 1.04 0.00 0.35 0.00 0.00 41.96 41.37 3gkx s TYR 8 CO 0.00 -0.84 2.04 -1.35 -1.34 0.00 0.00 175.55 174.06 3gkx h PRO 9 N 7.87 0.34 0.00 4.97 0.11 -1.99 -0.50 132.00 142.80 3gkx h PRO 9 Ca -0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3gkx h PRO 9 Cb 1.05 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3gkx h PRO 9 CO 0.50 0.23 0.00 0.00 -0.21 0.00 0.00 178.00 178.51 3gkx h ALA 10 N 1.77 1.00 -2.83 -0.75 0.00 -2.03 -3.44 119.26 112.99 3gkx h ALA 10 Ca 0.18 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.57 3gkx h ALA 10 Cb 0.26 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.09 3gkx h ALA 10 CO -0.04 0.00 0.55 0.00 0.00 0.00 0.00 179.25 179.76 3gkx h SER 12 N 3.50 0.16 0.12 0.00 0.87 -1.87 -2.91 113.55 113.42 3gkx h SER 12 Ca -0.48 -0.17 -0.20 0.00 -1.23 0.00 0.00 61.79 59.72 3gkx h SER 12 Cb 1.22 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3gkx h SER 12 CO 0.66 1.11 -0.74 0.74 -0.53 0.00 0.00 176.83 178.07 3gkx h THR 13 N 0.03 1.34 0.49 2.23 2.02 -1.93 -3.12 112.91 113.98 3gkx h THR 13 Ca -0.05 -2.07 -0.02 0.00 0.77 0.00 0.00 66.41 65.03 3gkx h THR 13 Cb 1.80 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 70.27 3gkx h THR 13 CO 0.15 0.63 -0.24 0.00 0.37 0.00 0.00 175.52 176.44 3gkx h GLN 15 N -0.71 0.09 -0.22 0.00 4.20 -1.61 0.15 115.11 117.01 3gkx h GLN 15 Ca -0.07 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.68 3gkx h GLN 15 Cb 0.53 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.24 3gkx h GLN 15 CO 0.11 0.06 -0.08 0.87 -0.67 0.00 0.00 178.83 179.12 3gkx h LYS 16 N 0.09 -0.03 -0.41 1.46 1.57 -1.44 0.12 116.57 117.93 3gkx h LYS 16 Ca 0.34 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3gkx h LYS 16 Cb 0.55 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3gkx h LYS 16 CO -0.58 -0.02 0.25 0.00 -0.57 0.00 0.00 179.45 178.53 3gkx h ALA 17 N 1.18 0.52 -0.13 3.86 0.00 0.02 -0.24 119.26 124.47 3gkx h ALA 17 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gkx h ALA 17 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gkx h ALA 17 CO -0.25 0.02 0.06 -0.22 0.00 0.00 0.00 179.25 178.86 3gkx h LYS 18 N 0.54 0.18 -0.57 0.00 3.64 -0.60 0.79 116.57 120.55 3gkx h LYS 18 Ca 0.15 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.62 3gkx h LYS 18 Cb -0.00 -0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 31.69 3gkx h LYS 18 CO -0.03 0.24 -0.05 0.87 -2.27 0.00 0.00 179.45 178.20 3gkx h LYS 19 N 0.08 0.07 -0.46 1.90 1.57 -0.30 -2.02 116.57 117.40 3gkx h LYS 19 Ca 0.04 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3gkx h LYS 19 Cb 0.12 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3gkx h LYS 19 CO -0.01 0.04 0.22 2.35 -0.57 0.00 0.00 179.45 181.49 3gkx h TRP 20 N 0.07 0.41 -0.94 -1.35 7.01 -0.49 -0.46 115.95 120.20 3gkx h TRP 20 Ca 0.29 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.35 3gkx h TRP 20 Cb 0.46 -0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 27.34 3gkx h TRP 20 CO -0.40 0.20 0.61 -0.07 -2.79 0.00 0.00 178.44 175.99 3gkx h LEU 21 N 0.44 1.00 -0.02 0.65 3.38 -0.18 0.17 115.31 120.75 3gkx h LEU 21 Ca 0.20 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3gkx h LEU 21 Cb 0.12 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3gkx h LEU 21 CO -0.15 0.68 -0.10 0.40 0.09 0.00 0.00 178.44 179.35 3gkx h ILE 22 N 1.16 1.49 -0.85 1.22 2.04 -1.17 0.21 117.51 121.61 3gkx h ILE 22 Ca 0.38 -1.60 0.22 0.00 1.00 0.00 0.00 64.86 64.85 3gkx h ILE 22 Cb 0.04 2.49 -0.13 0.00 -0.74 0.00 0.00 36.82 38.48 3gkx h ILE 22 CO -0.13 0.43 0.24 -0.08 0.00 0.00 0.00 178.15 178.61 3gkx h GLU 23 N -0.49 0.24 -0.29 2.37 4.81 -0.98 -0.77 114.58 119.46 3gkx h GLU 23 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3gkx h GLU 23 Cb 0.76 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.08 3gkx h GLU 23 CO 0.02 0.16 0.00 0.09 -0.73 0.00 0.00 179.01 178.55 3gkx n ASN 24 N -5.19 1.58 -1.58 1.04 3.02 0.04 -4.91 115.26 109.25 3gkx n ASN 24 Ca 0.20 -1.98 -0.16 0.00 -0.03 0.00 0.00 54.58 52.61 3gkx n ASN 24 Cb 0.63 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.58 3gkx n ASN 24 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gkx n ASN 25 N 0.35 -4.88 -4.55 6.41 4.13 -0.29 -4.98 115.26 111.45 3gkx n ASN 25 Ca 0.10 0.17 -0.43 0.00 1.68 0.00 0.00 54.58 56.10 3gkx n ASN 25 Cb 0.25 -3.91 -0.04 0.00 -1.54 0.00 0.00 39.78 34.53 3gkx n ASN 25 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3gkx s ILE 26 N -2.72 4.50 0.39 2.41 -1.09 0.03 -5.03 121.20 119.70 3gkx s ILE 26 Ca 0.00 0.55 -0.27 0.00 -2.23 0.00 0.00 60.65 58.71 3gkx s ILE 26 Cb 0.00 -4.43 -0.09 0.00 -1.58 0.00 0.00 42.46 36.36 3gkx s ILE 26 CO 0.00 -0.87 1.33 -1.61 -1.23 0.00 0.00 174.94 172.56 3gkx s GLU 27 N 3.68 4.05 0.22 2.79 2.02 -1.26 -4.62 118.70 125.58 3gkx s GLU 27 Ca 0.34 2.24 -0.22 0.00 0.02 0.00 0.00 54.97 57.34 3gkx s GLU 27 Cb -0.11 -2.84 0.04 0.00 0.10 0.00 0.00 34.13 31.32 3gkx s GLU 27 CO 0.24 -0.45 0.75 1.52 0.02 0.00 0.00 175.26 177.33 3gkx s TYR 28 N -1.21 -0.25 -0.21 1.61 -0.85 -1.25 -4.54 117.35 110.65 3gkx s TYR 28 Ca 0.55 -0.12 -0.04 0.00 -0.52 0.00 0.00 57.07 56.94 3gkx s TYR 28 Cb -0.40 0.66 -0.02 0.00 0.38 0.00 0.00 41.96 42.59 3gkx s TYR 28 CO 0.52 -1.06 -0.02 0.99 -1.52 0.00 0.00 175.55 174.45 3gkx s THR 29 N -3.74 3.64 0.61 -3.49 2.01 -0.10 -4.80 115.64 109.77 3gkx s THR 29 Ca 0.09 -0.41 -0.17 0.00 0.31 0.00 0.00 61.69 61.51 3gkx s THR 29 Cb -0.04 -2.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 3gkx s THR 29 CO 0.02 0.42 1.11 0.21 -0.69 0.00 0.00 174.62 175.69 3gkx s ASN 30 N 1.23 5.38 -0.28 3.53 2.47 -1.26 -1.38 114.94 124.62 3gkx s ASN 30 Ca 0.03 2.04 -0.17 0.00 0.42 0.00 0.00 52.86 55.19 3gkx s ASN 30 Cb -0.14 -2.56 0.10 0.00 -1.45 0.00 0.00 41.25 37.20 3gkx s ASN 30 CO -0.00 -1.45 0.80 -0.60 -3.72 0.00 0.00 177.10 172.13 3gkx s ARG 31 N -3.81 0.59 -0.46 0.43 3.52 -0.28 -4.84 118.95 114.10 3gkx s ARG 31 Ca 0.69 1.01 -0.24 0.00 -0.13 0.00 0.00 55.73 57.05 3gkx s ARG 31 Cb -0.21 0.13 0.03 0.00 -1.56 0.00 0.00 34.95 33.33 3gkx s ARG 31 CO 0.36 -0.12 0.84 -0.51 -0.81 0.00 0.00 175.30 175.05 3gkx s LEU 32 N 1.46 4.17 0.58 -0.88 1.43 -1.26 -0.79 118.68 123.39 3gkx s LEU 32 Ca -0.09 -0.06 0.28 0.00 -1.03 0.00 0.00 54.13 53.23 3gkx s LEU 32 Cb -0.05 -3.03 1.68 0.00 0.03 0.00 0.00 46.19 44.82 3gkx s LEU 32 CO -0.17 -0.97 2.16 -0.29 0.23 0.00 0.00 176.35 177.30 3gkx h ILE 33 N 6.02 0.54 0.00 -0.59 2.10 -1.30 0.44 117.51 124.72 3gkx h ILE 33 Ca -0.25 0.00 -0.17 0.00 1.08 0.00 0.00 64.86 65.52 3gkx h ILE 33 Cb 1.08 0.91 -0.03 0.00 -1.09 0.00 0.00 36.82 37.69 3gkx h ILE 33 CO 0.99 0.00 -1.01 0.58 -1.08 0.00 0.00 178.15 177.62 3gkx h VAL 34 N 0.00 0.84 -0.71 2.19 2.07 -1.82 -3.24 116.25 115.59 3gkx h VAL 34 Ca 0.05 -2.00 -0.02 0.00 0.82 0.00 0.00 66.70 65.55 3gkx h VAL 34 Cb 0.29 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 3gkx h VAL 34 CO -0.00 0.29 0.37 0.44 0.02 0.00 0.00 177.57 178.69 3gkx h ASP 35 N -1.00 0.91 -3.17 0.57 5.19 -1.93 -3.34 116.42 113.65 3gkx h ASP 35 Ca -0.26 -0.11 -0.62 0.00 -0.62 0.00 0.00 57.03 55.42 3gkx h ASP 35 Cb 1.14 -0.23 -0.41 0.00 0.18 0.00 0.00 39.33 40.00 3gkx h ASP 35 CO -0.16 0.76 -0.64 -0.62 -3.12 0.00 0.00 179.24 175.47 3gkx s ASP 36 N -6.07 4.29 0.45 6.45 2.15 0.14 -5.08 116.67 119.00 3gkx s ASP 36 Ca -0.13 -3.61 -0.21 0.00 0.43 0.00 0.00 52.55 49.04 3gkx s ASP 36 Cb 0.14 -1.46 -0.10 0.00 -0.30 0.00 0.00 42.92 41.21 3gkx s ASP 36 CO 0.80 -0.12 0.98 0.54 -0.17 0.00 0.00 175.17 177.20 3gkx s ASN 37 N -1.05 6.74 0.39 -0.34 4.22 -1.22 -4.45 114.94 119.23 3gkx s ASN 37 Ca 0.25 1.78 -0.26 0.00 -2.14 0.00 0.00 52.86 52.48 3gkx s ASN 37 Cb -0.07 -2.55 -0.11 0.00 1.28 0.00 0.00 41.25 39.81 3gkx s ASN 37 CO -0.14 -0.50 1.24 -2.65 -2.04 0.00 0.00 177.10 173.00 3gkx n PRO 38 N -0.73 1.91 -3.35 3.55 -0.02 -1.26 -5.02 135.00 130.08 3gkx n PRO 38 Ca 0.08 0.68 -0.21 0.00 -2.02 0.00 0.00 63.50 62.03 3gkx n PRO 38 Cb 0.53 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3gkx n PRO 38 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3gkx s THR 39 N -1.17 4.20 0.24 3.45 -4.23 -1.26 -4.38 115.64 112.48 3gkx s THR 39 Ca 0.59 -0.81 -0.06 0.00 -1.18 0.00 0.00 61.69 60.24 3gkx s THR 39 Cb -0.54 -3.49 0.21 0.00 1.34 0.00 0.00 72.50 70.02 3gkx s THR 39 CO 0.59 -0.25 1.71 0.58 -0.54 0.00 0.00 174.62 176.72 3gkx h VAL 40 N 0.75 0.61 -0.47 2.29 2.07 -1.88 -0.20 116.25 119.43 3gkx h VAL 40 Ca -0.47 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 3gkx h VAL 40 Cb 1.25 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3gkx h VAL 40 CO 0.55 0.06 0.05 -0.33 0.02 0.00 0.00 177.57 177.93 3gkx h GLU 41 N 0.35 0.74 0.24 1.57 3.07 -1.98 -0.21 114.58 118.35 3gkx h GLU 41 Ca 0.39 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 59.07 3gkx h GLU 41 Cb 0.62 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 3gkx h GLU 41 CO -0.43 0.72 -0.11 0.93 -1.40 0.00 0.00 179.01 178.71 3gkx h GLU 42 N 0.70 -0.31 -0.90 2.33 5.08 -1.73 -2.99 114.58 116.77 3gkx h GLU 42 Ca 0.15 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.68 3gkx h GLU 42 Cb 0.36 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.61 3gkx h GLU 42 CO 0.01 0.05 0.58 -0.07 -1.00 0.00 0.00 179.01 178.57 3gkx h LEU 43 N -0.73 0.65 -1.33 1.33 3.38 -0.87 0.46 115.31 118.20 3gkx h LEU 43 Ca -0.03 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3gkx h LEU 43 Cb 0.49 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3gkx h LEU 43 CO 0.05 0.32 -0.15 0.11 0.09 0.00 0.00 178.44 178.86 3gkx h LYS 44 N 0.68 0.00 0.12 1.13 1.57 -1.03 -1.04 116.57 117.99 3gkx h LYS 44 Ca 0.46 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.88 3gkx h LYS 44 Cb 0.75 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 3gkx h LYS 44 CO -0.21 0.15 -1.97 0.00 -0.57 0.00 0.00 179.45 176.85 3gkx n ALA 45 N -2.20 0.93 0.04 3.86 0.00 0.38 -4.52 120.51 119.00 3gkx n ALA 45 Ca -0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 53.44 52.78 3gkx n ALA 45 Cb 0.37 -0.71 0.10 0.00 0.00 0.00 0.00 19.45 19.21 3gkx n ALA 45 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3gkx h TRP 46 N 0.07 0.50 0.04 0.00 6.55 -0.02 -3.17 115.95 119.91 3gkx h TRP 46 Ca -0.41 -0.18 -0.00 0.00 0.95 0.00 0.00 58.89 59.25 3gkx h TRP 46 Cb 2.04 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 30.24 3gkx h TRP 46 CO 0.07 0.86 -0.02 0.82 -1.05 0.00 0.00 178.44 179.12 3gkx h ILE 47 N 0.31 1.25 -0.89 1.49 2.04 -1.43 -1.84 117.51 118.44 3gkx h ILE 47 Ca 0.00 -0.98 0.08 0.00 1.00 0.00 0.00 64.86 64.96 3gkx h ILE 47 Cb 1.06 1.89 -0.06 0.00 -0.74 0.00 0.00 36.82 38.98 3gkx h ILE 47 CO 0.09 0.25 0.58 -0.65 0.00 0.00 0.00 178.15 178.42 3gkx h PRO 48 N -0.49 0.94 -0.16 2.37 0.10 -1.80 -1.82 132.00 131.14 3gkx h PRO 48 Ca -0.01 -0.06 -0.05 0.00 0.10 0.00 0.00 66.00 65.99 3gkx h PRO 48 Cb 0.45 -0.21 -0.01 0.00 0.10 0.00 0.00 31.00 31.32 3gkx h PRO 48 CO 0.01 0.62 -0.13 1.25 0.10 0.00 0.00 178.00 179.85 3gkx h LEU 49 N 0.96 0.24 -1.13 2.35 5.85 -1.50 -2.20 115.31 119.88 3gkx h LEU 49 Ca 0.39 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 59.01 3gkx h LEU 49 Cb 0.27 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3gkx h LEU 49 CO -0.15 0.39 -0.27 0.77 -0.34 0.00 0.00 178.44 178.84 3gkx h SER 50 N 0.24 0.00 0.00 1.25 4.64 -0.47 -3.32 113.55 115.89 3gkx h SER 50 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3gkx h SER 50 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3gkx h SER 50 CO 0.02 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 3gkx n GLY 51 N 0.08 0.45 3.83 -0.77 0.00 -0.83 -4.86 105.19 103.09 3gkx n GLY 51 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3gkx n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gkx s LEU 52 N 0.00 3.91 0.62 0.99 1.43 -1.25 -5.09 118.68 119.29 3gkx s LEU 52 Ca 0.00 -0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 52.83 3gkx s LEU 52 Cb 0.00 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 3gkx s LEU 52 CO 0.00 0.06 1.19 -2.65 0.23 0.00 0.00 176.35 175.18 3gkx n PRO 53 N -0.46 1.09 0.17 1.29 -0.02 -1.26 -4.83 135.00 130.97 3gkx n PRO 53 Ca -0.08 0.42 0.02 0.00 -2.02 0.00 0.00 63.50 61.85 3gkx n PRO 53 Cb 0.55 -2.41 0.37 0.00 -0.02 0.00 0.00 33.50 31.98 3gkx n PRO 53 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gkx h VAL 54 N 0.59 1.24 -0.09 -1.45 2.07 -1.99 -0.94 116.25 115.69 3gkx h VAL 54 Ca -0.50 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 65.92 3gkx h VAL 54 Cb 1.35 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 3gkx h VAL 54 CO 0.53 0.33 0.09 0.07 0.02 0.00 0.00 177.57 178.60 3gkx h LYS 55 N 0.07 0.00 0.00 1.57 2.10 -1.99 -1.85 116.57 116.47 3gkx h LYS 55 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 3gkx h LYS 55 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 3gkx h LYS 55 CO 0.04 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.12 3gkx n LYS 56 N -3.96 0.02 -0.17 0.07 4.76 -0.36 -1.61 118.16 116.91 3gkx n LYS 56 Ca -0.01 0.29 0.08 0.00 -2.87 0.00 0.00 58.31 55.80 3gkx n LYS 56 Cb 0.19 -1.54 0.25 0.00 -1.84 0.00 0.00 35.03 32.10 3gkx n LYS 56 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3gkx n PHE 57 N -1.57 0.45 -3.45 2.13 3.72 -0.69 -4.77 117.46 113.27 3gkx n PHE 57 Ca 0.03 -0.23 -0.38 0.00 -0.05 0.00 0.00 57.45 56.83 3gkx n PHE 57 Cb 0.16 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 3gkx n PHE 57 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3gkx s PHE 58 N -1.55 3.60 -1.12 1.38 0.08 -0.63 -0.19 117.98 119.54 3gkx s PHE 58 Ca 0.31 0.87 -0.22 0.00 0.12 0.00 0.00 56.93 58.01 3gkx s PHE 58 Cb 0.16 -2.39 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 3gkx s PHE 58 CO 0.23 0.39 1.81 1.21 -0.10 0.00 0.00 175.22 178.76 3gkx s ASN 59 N -0.16 5.73 0.00 1.36 2.47 -0.58 -4.22 114.94 119.55 3gkx s ASN 59 Ca 0.23 -1.58 0.12 0.00 0.42 0.00 0.00 52.86 52.04 3gkx s ASN 59 Cb -0.15 -2.58 0.69 0.00 -1.45 0.00 0.00 41.25 37.76 3gkx s ASN 59 CO 0.10 -2.28 1.37 0.35 -3.72 0.00 0.00 177.10 172.92 3gkx n THR 60 N 7.33 0.00 0.94 -5.21 -2.24 -1.26 -1.32 114.28 112.52 3gkx n THR 60 Ca 0.43 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.30 3gkx n THR 60 Cb 0.47 -0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 68.38 3gkx n THR 60 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gkx n SER 61 N -0.70 1.31 -4.76 3.42 7.64 -1.26 -4.99 113.62 114.27 3gkx n SER 61 Ca 0.09 -1.15 -0.32 0.00 1.01 0.00 0.00 58.87 58.49 3gkx n SER 61 Cb 0.04 0.81 0.07 0.00 -1.01 0.00 0.00 64.21 64.12 3gkx n SER 61 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gkx s GLY 62 N -2.68 1.97 0.10 0.23 0.00 -0.43 -4.96 107.32 101.55 3gkx s GLY 62 Ca 0.11 0.47 0.05 0.00 0.00 0.00 0.00 44.72 45.35 3gkx s GLY 62 CO 0.71 0.83 1.21 -2.08 0.00 0.00 0.00 173.10 173.77 3gkx h VAL 63 N -0.50 1.62 -0.20 1.40 2.07 -1.92 -3.17 116.25 115.56 3gkx h VAL 63 Ca -0.45 -3.31 -0.12 0.00 0.82 0.00 0.00 66.70 63.64 3gkx h VAL 63 Cb 1.25 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 33.87 3gkx h VAL 63 CO 0.52 0.94 -0.34 0.58 0.02 0.00 0.00 177.57 179.29 3gkx h VAL 64 N 0.02 1.33 -0.65 2.57 2.07 -1.93 -1.50 116.25 118.17 3gkx h VAL 64 Ca -0.05 -1.56 0.14 0.00 0.82 0.00 0.00 66.70 66.04 3gkx h VAL 64 Cb 1.83 1.84 -0.11 0.00 -1.52 0.00 0.00 31.29 33.33 3gkx h VAL 64 CO 0.14 0.48 -0.04 0.22 0.02 0.00 0.00 177.57 178.39 3gkx h TYR 65 N 0.26 -0.13 0.76 1.57 3.20 -1.83 -2.58 116.97 118.21 3gkx h TYR 65 Ca 0.01 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 3gkx h TYR 65 Cb 0.93 0.16 0.01 0.00 1.54 0.00 0.00 36.73 39.37 3gkx h TYR 65 CO 0.09 -0.21 -0.36 -0.22 -1.64 0.00 0.00 178.16 175.81 3gkx h LYS 66 N 0.08 -0.98 -1.00 1.82 3.64 -1.37 -2.57 116.57 116.19 3gkx h LYS 66 Ca 0.34 0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.82 3gkx h LYS 66 Cb 0.55 0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 3gkx h LYS 66 CO -0.59 -0.65 0.65 1.05 -2.27 0.00 0.00 179.45 177.64 3gkx h GLU 67 N -1.03 1.22 -0.02 1.90 4.11 -1.30 -1.52 114.58 117.93 3gkx h GLU 67 Ca -0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.25 3gkx h GLU 67 Cb 0.78 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3gkx h GLU 67 CO 0.17 0.81 0.00 1.28 0.07 0.00 0.00 179.01 181.34 3gkx n LEU 68 N -4.45 0.23 -3.99 3.06 4.77 -0.97 -4.89 117.00 110.75 3gkx n LEU 68 Ca 0.14 -0.10 -0.30 0.00 -0.03 0.00 0.00 56.01 55.72 3gkx n LEU 68 Cb 0.10 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3gkx n LEU 68 CO 0.34 0.05 -0.00 0.29 -1.33 0.00 0.00 177.39 176.74 3gkx n LYS 69 N -0.61 -4.43 0.21 3.23 5.02 -0.57 -4.84 118.16 116.17 3gkx n LYS 69 Ca 0.13 0.50 0.07 0.00 -2.02 0.00 0.00 58.31 56.99 3gkx n LYS 69 Cb 0.09 -5.19 0.45 0.00 -0.02 0.00 0.00 35.03 30.35 3gkx n LYS 69 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3gkx h LEU 70 N -1.85 0.00 -0.94 -0.35 3.38 -1.71 -1.67 115.31 112.16 3gkx h LEU 70 Ca -0.59 0.00 0.23 0.00 0.09 0.00 0.00 57.88 57.60 3gkx h LEU 70 Cb 1.38 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.95 3gkx h LEU 70 CO 0.69 0.30 -0.09 -1.20 0.09 0.00 0.00 178.44 178.22 3gkx n SER 71 N -3.63 -0.21 -0.03 -0.43 7.64 -1.26 -1.57 113.62 114.12 3gkx n SER 71 Ca -0.01 1.61 -0.15 0.00 1.01 0.00 0.00 58.87 61.34 3gkx n SER 71 Cb 0.42 -0.54 -0.14 0.00 -1.01 0.00 0.00 64.21 62.93 3gkx n SER 71 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3gkx n SER 72 N -5.46 1.39 0.17 6.43 7.64 -0.91 -4.52 113.62 118.36 3gkx n SER 72 Ca 0.19 0.22 0.06 0.00 1.01 0.00 0.00 58.87 60.34 3gkx n SER 72 Cb 0.62 -0.29 0.10 0.00 -1.01 0.00 0.00 64.21 63.63 3gkx n SER 72 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3gkx h LYS 73 N 0.03 0.00 -0.50 1.43 1.57 -1.05 -3.38 116.57 114.67 3gkx h LYS 73 Ca -0.41 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.33 3gkx h LYS 73 Cb 2.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.33 3gkx h LYS 73 CO 0.06 0.34 0.16 -0.07 -0.57 0.00 0.00 179.45 179.37 3gkx h LEU 74 N 0.00 0.73 0.04 2.94 3.38 -1.52 -3.16 115.31 117.73 3gkx h LEU 74 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3gkx h LEU 74 Cb 1.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3gkx h LEU 74 CO 0.04 0.74 -0.12 -0.65 0.09 0.00 0.00 178.44 178.55 3gkx h PRO 75 N 0.68 -0.17 -2.90 1.13 0.11 -1.85 -3.43 132.00 125.58 3gkx h PRO 75 Ca 0.16 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3gkx h PRO 75 Cb 0.26 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3gkx h PRO 75 CO -0.01 -0.11 0.00 0.25 -0.21 0.00 0.00 178.00 177.92 3gkx n THR 76 N -3.08 0.00 -4.27 -1.15 -2.24 -1.20 -5.00 114.28 97.34 3gkx n THR 76 Ca -0.02 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.61 3gkx n THR 76 Cb 0.09 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.22 3gkx n THR 76 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3gkx s THR 78 N 0.03 0.92 0.15 4.28 -4.23 -1.26 -5.13 115.64 110.40 3gkx s THR 78 Ca 0.00 -2.02 -0.21 0.00 -1.18 0.00 0.00 61.69 58.28 3gkx s THR 78 Cb 0.00 -2.09 0.02 0.00 1.34 0.00 0.00 72.50 71.77 3gkx s THR 78 CO 0.00 -0.52 1.65 -0.08 -0.54 0.00 0.00 174.62 175.13 3gkx h GLU 79 N 2.66 -0.18 -0.58 3.99 4.81 -1.95 0.26 114.58 123.59 3gkx h GLU 79 Ca -0.37 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 58.97 3gkx h GLU 79 Cb 1.20 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.51 3gkx h GLU 79 CO 0.64 -0.12 -0.37 0.93 -0.73 0.00 0.00 179.01 179.36 3gkx h GLU 80 N -0.19 -0.18 -0.20 1.92 4.39 -2.04 0.17 114.58 118.45 3gkx h GLU 80 Ca 0.13 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3gkx h GLU 80 Cb 0.39 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3gkx h GLU 80 CO -0.34 -0.12 0.10 0.93 -1.16 0.00 0.00 179.01 178.42 3gkx h GLU 81 N -0.19 0.29 -0.68 2.33 5.08 -1.77 -0.49 114.58 119.15 3gkx h GLU 81 Ca 0.21 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.63 3gkx h GLU 81 Cb 0.56 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 3gkx h GLU 81 CO -0.68 0.30 0.31 1.96 -1.00 0.00 0.00 179.01 179.90 3gkx h GLN 82 N 0.20 0.51 -0.22 2.33 4.20 -0.20 -0.27 115.11 121.65 3gkx h GLN 82 Ca 0.07 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3gkx h GLN 82 Cb 0.11 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3gkx h GLN 82 CO -0.01 0.34 -0.06 0.82 -0.67 0.00 0.00 178.83 179.24 3gkx h ILE 83 N 0.52 1.29 -0.80 2.54 2.04 -0.43 -1.55 117.51 121.12 3gkx h ILE 83 Ca 0.34 -1.07 0.13 0.00 1.00 0.00 0.00 64.86 65.25 3gkx h ILE 83 Cb 0.39 1.55 -0.09 0.00 -0.74 0.00 0.00 36.82 37.93 3gkx h ILE 83 CO -0.29 0.33 0.40 0.00 0.00 0.00 0.00 178.15 178.59 3gkx h ALA 84 N 0.74 1.16 0.25 1.87 0.00 -0.89 -1.77 119.26 120.61 3gkx h ALA 84 Ca 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3gkx h ALA 84 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3gkx h ALA 84 CO 0.02 -0.07 -0.12 1.25 0.00 0.00 0.00 179.25 180.34 3gkx h LEU 85 N 0.62 -0.28 -0.92 0.00 5.85 -0.96 -3.09 115.31 116.52 3gkx h LEU 85 Ca 0.42 -0.15 0.25 0.00 0.84 0.00 0.00 57.88 59.24 3gkx h LEU 85 Cb 0.54 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 41.50 3gkx h LEU 85 CO -0.33 -0.01 0.40 -0.07 -0.34 0.00 0.00 178.44 178.09 3gkx h LEU 86 N -0.56 0.30 0.00 2.25 3.38 -0.92 0.10 115.31 119.86 3gkx h LEU 86 Ca -0.03 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3gkx h LEU 86 Cb 0.41 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3gkx h LEU 86 CO 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.52 3gkx n ALA 87 N -2.50 1.83 0.15 1.53 0.00 -0.70 -3.16 120.51 117.66 3gkx n ALA 87 Ca 0.24 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.68 3gkx n ALA 87 Cb 0.74 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.96 3gkx n ALA 87 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3gkx h THR 88 N 0.00 0.47 -2.09 0.00 1.35 -0.81 -3.45 112.91 108.38 3gkx h THR 88 Ca 0.00 -1.70 0.01 0.00 -0.55 0.00 0.00 66.41 64.17 3gkx h THR 88 Cb 0.30 2.16 -0.23 0.00 -1.73 0.00 0.00 68.15 68.65 3gkx h THR 88 CO 0.00 0.27 -0.24 0.21 -0.25 0.00 0.00 175.52 175.51 3gkx s ASN 89 N -6.20 -0.79 0.53 5.36 3.84 -1.19 -5.04 114.94 111.45 3gkx s ASN 89 Ca 0.04 1.25 0.30 0.00 0.21 0.00 0.00 52.86 54.66 3gkx s ASN 89 Cb 0.07 1.90 1.47 0.00 -0.55 0.00 0.00 41.25 44.14 3gkx s ASN 89 CO 0.73 -0.23 2.05 1.23 -2.79 0.00 0.00 177.10 178.09 3gkx h GLY 90 N 8.07 0.00 2.00 1.21 0.00 -1.80 -1.61 103.07 110.94 3gkx h GLY 90 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 3gkx h GLY 90 CO 0.13 0.00 -0.15 0.50 0.00 0.00 0.00 176.54 177.01 3gkx h LYS 91 N 0.00 0.00 0.00 4.80 1.57 -1.89 -1.99 116.57 119.06 3gkx h LYS 91 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gkx h LYS 91 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3gkx h LYS 91 CO 0.01 0.15 0.00 -0.07 -0.57 0.00 0.00 179.45 178.98 3gkx h LEU 92 N 0.00 0.00 -9.37 2.94 3.38 -1.63 -3.43 115.31 107.19 3gkx h LEU 92 Ca -0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3gkx h LEU 92 Cb 0.32 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 3gkx h LEU 92 CO 0.02 0.00 -0.02 -0.69 0.09 0.00 0.00 178.44 177.84 3gkx s VAL 93 N -3.37 5.08 0.33 1.22 1.01 -0.75 -1.53 120.40 122.40 3gkx s VAL 93 Ca 0.05 1.22 -0.26 0.00 0.00 0.00 0.00 61.98 62.99 3gkx s VAL 93 Cb 0.09 -3.94 -0.13 0.00 0.00 0.00 0.00 36.38 32.40 3gkx s VAL 93 CO 0.49 0.31 0.87 1.17 0.00 0.00 0.00 175.10 177.94 3gkx n LYS 94 N 3.57 1.07 -3.96 2.72 3.00 0.73 -4.25 118.16 121.04 3gkx n LYS 94 Ca -0.04 0.38 -0.09 0.00 -0.00 0.00 0.00 58.31 58.55 3gkx n LYS 94 Cb 0.51 -1.74 -0.11 0.00 0.00 0.00 0.00 35.03 33.70 3gkx n LYS 94 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3gkx s ARG 95 N -1.60 0.30 0.80 1.64 3.03 -1.26 -4.42 118.95 117.43 3gkx s ARG 95 Ca 0.61 -0.53 -0.12 0.00 2.03 0.00 0.00 55.73 57.72 3gkx s ARG 95 Cb -0.67 0.11 0.07 0.00 -1.03 0.00 0.00 34.95 33.42 3gkx s ARG 95 CO 0.59 -0.05 1.13 -1.25 -1.13 0.00 0.00 175.30 174.59 3gkx s PRO 96 N -1.31 2.08 0.04 3.89 0.04 -1.26 -4.49 135.00 133.98 3gkx s PRO 96 Ca -0.14 0.36 0.08 0.00 0.04 0.00 0.00 61.00 61.33 3gkx s PRO 96 Cb -0.09 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 3gkx s PRO 96 CO -0.01 -1.56 -0.23 -0.51 0.04 0.00 0.00 177.00 174.73 3gkx s LEU 97 N -5.65 2.15 -0.06 -3.56 1.43 -0.14 0.70 118.68 113.55 3gkx s LEU 97 Ca 0.61 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 3gkx s LEU 97 Cb -0.12 -1.12 -0.00 0.00 0.03 0.00 0.00 46.19 44.98 3gkx s LEU 97 CO 0.52 0.21 -0.20 -0.69 0.23 0.00 0.00 176.35 176.42 3gkx s VAL 98 N -0.77 1.68 -0.13 -1.59 1.01 -0.47 0.01 120.40 120.15 3gkx s VAL 98 Ca 0.09 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3gkx s VAL 98 Cb -0.09 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.85 3gkx s VAL 98 CO 0.02 0.48 -0.20 -0.69 0.00 0.00 0.00 175.10 174.70 3gkx s VAL 99 N 0.16 1.91 0.35 2.92 1.01 0.79 -0.67 120.40 126.88 3gkx s VAL 99 Ca -0.09 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.03 3gkx s VAL 99 Cb -0.14 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3gkx s VAL 99 CO 0.04 0.52 0.11 0.42 0.00 0.00 0.00 175.10 176.20 3gkx s THR 100 N 0.82 0.70 0.24 3.92 -4.23 -0.34 -0.12 115.64 116.64 3gkx s THR 100 Ca -0.08 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.37 3gkx s THR 100 Cb -0.16 -2.52 0.22 0.00 1.34 0.00 0.00 72.50 71.38 3gkx s THR 100 CO -0.01 0.00 1.86 -0.08 -0.54 0.00 0.00 174.62 175.85 3gkx h GLU 101 N 2.01 0.98 0.00 3.99 4.81 -2.01 -3.21 114.58 121.15 3gkx h GLU 101 Ca -0.37 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 58.57 3gkx h GLU 101 Cb 1.26 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 3gkx h GLU 101 CO 0.60 0.65 -1.83 0.54 -0.73 0.00 0.00 179.01 178.24 3gkx n ARG 102 N -4.59 0.65 -3.77 1.92 1.74 -1.26 -5.02 116.66 106.33 3gkx n ARG 102 Ca 0.12 0.12 -0.10 0.00 -0.77 0.00 0.00 57.85 57.22 3gkx n ARG 102 Cb 0.16 -1.69 -0.07 0.00 -1.02 0.00 0.00 32.46 29.85 3gkx n ARG 102 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3gkx s PHE 103 N -2.81 -0.02 -0.09 -1.55 -0.12 -1.21 -4.97 117.98 107.20 3gkx s PHE 103 Ca -0.06 -0.30 0.03 0.00 -0.05 0.00 0.00 56.93 56.55 3gkx s PHE 103 Cb 0.08 0.07 0.01 0.00 -0.63 0.00 0.00 43.02 42.55 3gkx s PHE 103 CO 0.83 -0.57 -0.18 0.08 -0.05 0.00 0.00 175.22 175.33 3gkx s VAL 104 N -3.46 1.62 -0.09 -2.49 1.01 -1.25 -1.20 120.40 114.54 3gkx s VAL 104 Ca 0.01 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 3gkx s VAL 104 Cb 0.02 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3gkx s VAL 104 CO -0.09 0.46 0.05 -0.76 0.00 0.00 0.00 175.10 174.76 3gkx s LEU 105 N 0.64 3.84 -0.15 3.92 1.43 0.16 -4.25 118.68 124.27 3gkx s LEU 105 Ca -0.14 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 3gkx s LEU 105 Cb -0.16 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.16 3gkx s LEU 105 CO 0.04 0.38 -0.21 -0.69 0.23 0.00 0.00 176.35 176.10 3gkx s VAL 106 N -0.94 2.04 0.15 -1.59 1.01 -1.26 -1.37 120.40 118.43 3gkx s VAL 106 Ca 0.14 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3gkx s VAL 106 Cb -0.12 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3gkx s VAL 106 CO 0.03 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3gkx n GLY 107 N 4.22 -2.00 3.20 4.51 0.00 0.22 -4.75 105.19 110.58 3gkx n GLY 107 Ca -0.20 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 3gkx n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gkx s PHE 108 N -1.41 3.45 -0.39 1.61 5.36 -1.26 -4.69 117.98 120.64 3gkx s PHE 108 Ca 0.00 -1.95 0.03 0.00 -0.96 0.00 0.00 56.93 54.05 3gkx s PHE 108 Cb 0.00 -3.45 0.11 0.00 -0.34 0.00 0.00 43.02 39.35 3gkx s PHE 108 CO 0.00 -0.99 0.15 0.15 -1.46 0.00 0.00 175.22 173.07 3gkx s LYS 109 N 1.33 1.38 0.38 10.12 -0.14 -1.26 -5.00 119.74 126.54 3gkx s LYS 109 Ca 0.06 -1.89 0.17 0.00 -1.36 0.00 0.00 55.97 52.95 3gkx s LYS 109 Cb -0.26 -2.78 1.06 0.00 -1.68 0.00 0.00 37.83 34.18 3gkx s LYS 109 CO -0.01 -1.03 1.75 -1.35 -0.76 0.00 0.00 175.35 173.94 3gkx h PRO 110 N 7.29 0.41 -0.88 -1.68 0.11 -1.98 0.87 132.00 136.15 3gkx h PRO 110 Ca -0.06 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.10 3gkx h PRO 110 Cb 0.97 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.93 3gkx h PRO 110 CO 0.54 0.27 0.57 0.93 -0.21 0.00 0.00 178.00 180.10 3gkx h GLU 111 N 0.43 0.90 0.02 1.05 3.07 -2.02 -2.61 114.58 115.41 3gkx h GLU 111 Ca 0.63 -0.05 -0.28 0.00 -0.50 0.00 0.00 59.36 59.15 3gkx h GLU 111 Cb 1.50 -0.20 -0.04 0.00 -0.84 0.00 0.00 28.75 29.16 3gkx h GLU 111 CO -0.36 0.60 -1.58 0.93 -1.40 0.00 0.00 179.01 177.19 3gkx h GLU 112 N 0.93 0.04 0.00 2.33 5.08 0.26 -3.33 114.58 119.88 3gkx h GLU 112 Ca 0.39 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3gkx h GLU 112 Cb 0.31 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3gkx h GLU 112 CO -0.16 0.68 0.00 0.91 -1.00 0.00 0.00 179.01 179.44 3gkx n TRP 113 N -3.16 0.69 0.31 4.33 7.02 -0.26 -2.31 117.44 124.06 3gkx n TRP 113 Ca -0.15 0.29 0.20 0.00 -1.02 0.00 0.00 57.50 56.82 3gkx n TRP 113 Cb 1.03 -0.96 1.02 0.00 -2.42 0.00 0.00 31.31 29.98 3gkx n TRP 113 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3gkx h GLU 114 N 0.00 0.00 0.00 -0.99 4.39 -1.63 -2.37 114.58 113.99 3gkx h GLU 114 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3gkx h GLU 114 Cb 0.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3gkx h GLU 114 CO 0.00 0.02 -0.00 0.87 -1.16 0.00 0.00 179.01 178.73 3gkx h LYS 115 N 0.00 0.00 0.00 2.33 1.57 -1.73 -0.99 116.57 117.75 3gkx h LYS 115 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gkx h LYS 115 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3gkx h LYS 115 CO 0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.17 3gkx n LEU 116 N -3.39 0.00 -0.69 2.94 4.77 -0.89 -5.15 117.00 114.58 3gkx n LEU 116 Ca -0.03 0.46 0.13 0.00 -0.03 0.00 0.00 56.01 56.54 3gkx n LEU 116 Cb 0.08 -0.46 0.34 0.00 -2.33 0.00 0.00 43.42 41.05 3gkx n LEU 116 CO 0.23 -0.11 0.76 0.29 -1.33 0.00 0.00 177.39 177.24