#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxb s LYS 15 N 0.00 2.71 0.49 0.00 1.02 -1.26 -5.15 119.74 117.55 3kxb s LYS 15 Ca 0.00 -0.82 -0.21 0.00 0.02 0.00 0.00 55.97 54.96 3kxb s LYS 15 Cb 0.00 -2.60 -0.07 0.00 -0.52 0.00 0.00 37.83 34.63 3kxb s LYS 15 CO 0.00 0.53 1.09 0.95 -0.92 0.00 0.00 175.35 177.00 3kxb s THR 16 N -1.46 3.43 0.22 2.17 -4.23 -1.26 -4.96 115.64 109.56 3kxb s THR 16 Ca 0.28 0.94 -0.13 0.00 -1.18 0.00 0.00 61.69 61.60 3kxb s THR 16 Cb -0.11 -3.41 0.28 0.00 1.34 0.00 0.00 72.50 70.59 3kxb s THR 16 CO 0.20 -0.14 1.60 0.03 -0.54 0.00 0.00 174.62 175.78 3kxb h ARG 17 N 1.61 -0.02 0.00 3.99 3.08 -2.00 -2.74 114.38 118.30 3kxb h ARG 17 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3kxb h ARG 17 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3kxb h ARG 17 CO 0.59 -0.01 0.00 -1.13 -1.07 0.00 0.00 179.97 178.34 3kxb n SER 18 N -5.48 0.00 -0.06 7.04 3.41 -1.26 0.28 113.62 117.54 3kxb n SER 18 Ca 0.09 -1.03 -0.20 0.00 -0.26 0.00 0.00 58.87 57.47 3kxb n SER 18 Cb 0.37 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.19 3kxb n SER 18 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kxb n SER 19 N -0.84 2.06 -0.33 4.04 3.41 -1.05 -1.06 113.62 119.84 3kxb n SER 19 Ca 0.13 0.04 0.24 0.00 -0.26 0.00 0.00 58.87 59.02 3kxb n SER 19 Cb 0.06 -0.64 0.48 0.00 -0.26 0.00 0.00 64.21 63.85 3kxb n SER 19 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3kxb h ARG 20 N 0.03 0.29 0.00 4.33 3.08 0.42 -0.06 114.38 122.47 3kxb h ARG 20 Ca -0.50 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.53 3kxb h ARG 20 Cb 1.97 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.95 3kxb h ARG 20 CO -0.00 0.19 -1.20 0.00 -1.07 0.00 0.00 179.97 177.89 3kxb n ALA 21 N -2.29 3.42 -1.98 0.04 0.00 -0.17 -4.99 120.51 114.54 3kxb n ALA 21 Ca 0.32 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3kxb n ALA 21 Cb 1.00 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3kxb n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxb n GLY 22 N 1.35 0.48 2.67 0.00 0.00 -0.04 -5.05 105.19 104.60 3kxb n GLY 22 Ca 0.01 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 3kxb n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxb s LEU 23 N -1.88 0.12 0.21 0.99 1.43 -0.23 -5.02 118.68 114.30 3kxb s LEU 23 Ca 0.00 -0.75 -0.10 0.00 -1.03 0.00 0.00 54.13 52.26 3kxb s LEU 23 Cb 0.00 0.10 0.31 0.00 0.03 0.00 0.00 46.19 46.64 3kxb s LEU 23 CO 0.00 -0.38 1.69 1.56 0.23 0.00 0.00 176.35 179.45 3kxb h GLN 24 N 8.34 0.22 -7.07 1.70 1.08 -1.96 -3.42 115.11 114.00 3kxb h GLN 24 Ca -0.17 -0.01 -0.53 0.00 -1.45 0.00 0.00 58.65 56.49 3kxb h GLN 24 Cb 1.09 -0.05 0.11 0.00 -0.05 0.00 0.00 27.48 28.58 3kxb h GLN 24 CO 0.35 0.15 0.51 -0.06 -0.95 0.00 0.00 178.83 178.82 3kxb s PHE 25 N -6.11 2.41 -0.56 2.96 0.40 -1.26 -4.91 117.98 110.91 3kxb s PHE 25 Ca -0.13 1.48 -0.25 0.00 -0.60 0.00 0.00 56.93 57.43 3kxb s PHE 25 Cb 0.18 -3.57 0.04 0.00 0.51 0.00 0.00 43.02 40.19 3kxb s PHE 25 CO 0.74 -2.34 0.98 -1.25 0.70 0.00 0.00 175.22 174.05 3kxb s PRO 26 N -3.12 3.36 0.26 0.24 0.04 -1.26 -4.84 135.00 129.67 3kxb s PRO 26 Ca 0.74 -0.18 -0.05 0.00 0.04 0.00 0.00 61.00 61.55 3kxb s PRO 26 Cb -0.33 -4.05 0.29 0.00 0.04 0.00 0.00 34.50 30.45 3kxb s PRO 26 CO 0.38 -1.52 1.93 0.28 0.04 0.00 0.00 177.00 178.10 3kxb h VAL 27 N 6.04 1.25 -0.46 -0.36 2.07 -1.88 -2.51 116.25 120.40 3kxb h VAL 27 Ca -0.26 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 66.79 3kxb h VAL 27 Cb 1.07 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3kxb h VAL 27 CO 1.11 0.25 0.30 1.23 0.02 0.00 0.00 177.57 180.47 3kxb h GLY 28 N 1.31 0.64 1.01 2.17 0.00 -1.94 -0.96 103.07 105.31 3kxb h GLY 28 Ca 0.35 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 3kxb h GLY 28 CO -0.07 0.23 -0.05 -0.09 0.00 0.00 0.00 176.54 176.56 3kxb h ARG 29 N 0.61 0.86 -0.62 4.80 2.43 -1.95 -2.22 114.38 118.30 3kxb h ARG 29 Ca 0.17 -0.30 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 3kxb h ARG 29 Cb -0.07 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 3kxb h ARG 29 CO -0.04 0.93 0.08 0.28 -1.51 0.00 0.00 179.97 179.71 3kxb h VAL 30 N 0.71 1.26 -0.73 0.20 2.07 -1.23 0.13 116.25 118.65 3kxb h VAL 30 Ca 0.13 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 3kxb h VAL 30 Cb 0.57 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3kxb h VAL 30 CO 0.03 0.38 0.28 -0.74 0.02 0.00 0.00 177.57 177.54 3kxb h HIS 31 N 0.96 1.12 -0.15 1.57 -0.00 -1.08 -0.86 115.15 116.71 3kxb h HIS 31 Ca 0.19 -0.09 -0.04 0.00 -0.00 0.00 0.00 60.37 60.43 3kxb h HIS 31 Cb 0.44 -0.33 -0.00 0.00 -0.00 0.00 0.00 27.41 27.52 3kxb h HIS 31 CO 0.03 0.87 -0.04 -0.09 -0.00 0.00 0.00 177.93 178.70 3kxb h ARG 32 N 1.05 0.30 -0.49 5.26 2.43 -0.97 -2.29 114.38 119.67 3kxb h ARG 32 Ca 0.24 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3kxb h ARG 32 Cb 0.23 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3kxb h ARG 32 CO -0.02 0.58 0.28 -0.07 -1.51 0.00 0.00 179.97 179.24 3kxb h LEU 33 N -0.01 0.59 -0.22 3.80 3.38 -0.60 -0.71 115.31 121.54 3kxb h LEU 33 Ca 0.04 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3kxb h LEU 33 Cb 0.48 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3kxb h LEU 33 CO 0.02 0.47 0.10 -0.07 0.09 0.00 0.00 178.44 179.04 3kxb h LEU 34 N 0.68 0.13 -0.61 1.67 3.38 -1.02 -2.24 115.31 117.30 3kxb h LEU 34 Ca 0.18 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3kxb h LEU 34 Cb 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3kxb h LEU 34 CO -0.03 0.11 0.27 0.03 0.09 0.00 0.00 178.44 178.91 3kxb h ARG 35 N 0.21 0.90 -0.00 1.13 3.08 -0.68 -3.02 114.38 116.00 3kxb h ARG 35 Ca 0.09 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3kxb h ARG 35 Cb 0.04 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3kxb h ARG 35 CO -0.08 0.74 -0.10 0.36 -1.07 0.00 0.00 179.97 179.82 3kxb n LYS 36 N -4.49 0.70 0.00 0.04 2.85 -0.38 -2.92 118.16 113.97 3kxb n LYS 36 Ca 0.04 -0.23 0.13 0.00 -1.05 0.00 0.00 58.31 57.19 3kxb n LYS 36 Cb 0.14 -1.50 0.29 0.00 -0.65 0.00 0.00 35.03 33.31 3kxb n LYS 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kxb n GLY 37 N 1.27 0.06 3.55 2.58 0.00 -0.85 -4.98 105.19 106.82 3kxb n GLY 37 Ca 0.15 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 3kxb n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kxb n ASN 38 N 0.17 -5.80 -0.05 1.61 4.13 -1.15 -4.93 115.26 109.24 3kxb n ASN 38 Ca 0.14 -0.86 -0.00 0.00 1.68 0.00 0.00 54.58 55.54 3kxb n ASN 38 Cb 0.43 -3.73 -0.14 0.00 -1.54 0.00 0.00 39.78 34.80 3kxb n ASN 38 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3kxb n TYR 39 N -3.62 0.00 -3.88 3.10 0.53 -1.26 -5.00 117.16 107.04 3kxb n TYR 39 Ca -0.10 0.00 -0.09 0.00 -1.02 0.00 0.00 57.90 56.70 3kxb n TYR 39 Cb 0.59 -0.67 -0.04 0.00 -1.03 0.00 0.00 39.34 38.19 3kxb n TYR 39 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kxb s ALA 40 N -2.83 -0.73 0.19 -0.72 0.00 -1.26 -5.03 121.76 111.39 3kxb s ALA 40 Ca -0.08 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.25 3kxb s ALA 40 Cb 0.08 0.94 0.21 0.00 0.00 0.00 0.00 23.12 24.35 3kxb s ALA 40 CO 0.75 -0.89 1.74 0.93 0.00 0.00 0.00 175.76 178.29 3kxb h GLU 41 N 2.17 0.32 -6.03 0.00 4.39 -1.99 -3.44 114.58 110.00 3kxb h GLU 41 Ca -0.25 -0.02 -0.54 0.00 0.34 0.00 0.00 59.36 58.89 3kxb h GLU 41 Cb 1.25 -0.07 -0.18 0.00 -0.10 0.00 0.00 28.75 29.65 3kxb h GLU 41 CO 0.33 0.21 -0.79 1.03 -1.16 0.00 0.00 179.01 178.63 3kxb s ARG 42 N -6.12 1.31 -0.21 2.33 0.52 -1.26 -5.13 118.95 110.39 3kxb s ARG 42 Ca -0.13 -1.42 -0.03 0.00 -0.52 0.00 0.00 55.73 53.63 3kxb s ARG 42 Cb 0.16 -1.40 0.06 0.00 0.52 0.00 0.00 34.95 34.29 3kxb s ARG 42 CO 0.73 0.29 0.04 0.08 0.02 0.00 0.00 175.30 176.46 3kxb s VAL 43 N -1.98 0.55 0.98 3.52 1.01 -1.26 -5.06 120.40 118.16 3kxb s VAL 43 Ca 0.16 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 3kxb s VAL 43 Cb -0.06 -1.09 0.12 0.00 0.00 0.00 0.00 36.38 35.35 3kxb s VAL 43 CO 0.07 -0.26 0.77 0.61 0.00 0.00 0.00 175.10 176.29 3kxb n GLY 44 N 5.03 -1.33 0.19 4.51 0.00 -1.26 -4.92 105.19 107.42 3kxb n GLY 44 Ca -0.08 -0.79 0.06 0.00 0.00 0.00 0.00 46.02 45.20 3kxb n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kxb h ALA 45 N -1.89 1.02 0.12 4.61 0.00 -2.04 -3.20 119.26 117.88 3kxb h ALA 45 Ca -0.46 -0.33 -0.27 0.00 0.00 0.00 0.00 54.91 53.84 3kxb h ALA 45 Cb 1.29 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.03 3kxb h ALA 45 CO 0.39 0.46 -1.21 0.78 0.00 0.00 0.00 179.25 179.67 3kxb h GLY 46 N 1.97 0.40 -0.72 0.00 0.00 -2.01 -3.36 103.07 99.35 3kxb h GLY 46 Ca -0.00 -0.93 0.12 0.00 0.00 0.00 0.00 47.33 46.52 3kxb h GLY 46 CO 0.05 0.81 -0.39 0.00 0.00 0.00 0.00 176.54 177.01 3kxb h ALA 47 N 0.55 -0.04 0.00 3.60 0.00 -1.92 0.98 119.26 122.43 3kxb h ALA 47 Ca -0.14 0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3kxb h ALA 47 Cb 1.92 0.95 -0.01 0.00 0.00 0.00 0.00 17.79 20.65 3kxb h ALA 47 CO 0.21 -0.70 -0.32 -1.00 0.00 0.00 0.00 179.25 177.44 3kxb h PRO 48 N -0.09 0.00 -0.04 0.00 0.13 -1.73 -0.95 132.00 129.31 3kxb h PRO 48 Ca 0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.38 3kxb h PRO 48 Cb 0.56 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 3kxb h PRO 48 CO -0.83 0.32 -0.03 0.28 -0.23 0.00 0.00 178.00 177.51 3kxb h VAL 49 N 0.00 1.35 0.16 1.56 2.07 -1.07 -1.52 116.25 118.79 3kxb h VAL 49 Ca -0.00 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 3kxb h VAL 49 Cb 0.61 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3kxb h VAL 49 CO 0.04 0.30 -0.10 0.22 0.02 0.00 0.00 177.57 178.05 3kxb h TYR 50 N -0.32 -0.25 -0.90 1.57 3.20 -0.74 -1.71 116.97 117.82 3kxb h TYR 50 Ca 0.01 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.89 3kxb h TYR 50 Cb 0.49 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 3kxb h TYR 50 CO 0.08 -0.16 0.59 1.25 -1.64 0.00 0.00 178.16 178.29 3kxb h LEU 51 N -0.25 1.02 -0.95 2.82 5.85 -1.22 -0.70 115.31 121.88 3kxb h LEU 51 Ca -0.01 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3kxb h LEU 51 Cb 0.21 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3kxb h LEU 51 CO 0.01 0.74 0.06 0.00 -0.34 0.00 0.00 178.44 178.91 3kxb h ALA 52 N 1.33 1.13 -0.18 1.25 0.00 -1.11 -0.73 119.26 120.96 3kxb h ALA 52 Ca 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kxb h ALA 52 Cb -0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3kxb h ALA 52 CO -0.08 0.57 0.08 0.00 0.00 0.00 0.00 179.25 179.82 3kxb h ALA 53 N 1.28 0.23 -0.88 0.00 0.00 -0.47 -0.80 119.26 118.62 3kxb h ALA 53 Ca 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kxb h ALA 53 Cb 0.38 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3kxb h ALA 53 CO 0.01 -0.19 0.46 0.28 0.00 0.00 0.00 179.25 179.81 3kxb h VAL 54 N 0.16 1.26 -0.47 0.00 2.07 -0.85 -0.21 116.25 118.20 3kxb h VAL 54 Ca 0.06 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 3kxb h VAL 54 Cb 0.14 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 3kxb h VAL 54 CO -0.01 0.30 0.01 -0.07 0.02 0.00 0.00 177.57 177.82 3kxb h LEU 55 N 1.23 0.81 -0.95 2.57 3.38 -0.91 -1.37 115.31 120.08 3kxb h LEU 55 Ca 0.31 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3kxb h LEU 55 Cb 0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3kxb h LEU 55 CO -0.05 0.91 0.22 -0.08 0.09 0.00 0.00 178.44 179.53 3kxb h GLU 56 N 0.68 0.98 -0.37 1.13 4.81 -0.79 -1.54 114.58 119.48 3kxb h GLU 56 Ca 0.14 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3kxb h GLU 56 Cb 0.49 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3kxb h GLU 56 CO 0.02 0.83 0.05 -0.92 -0.73 0.00 0.00 179.01 178.27 3kxb h TYR 57 N 0.95 0.66 -0.60 0.92 3.20 -0.64 -1.45 116.97 120.01 3kxb h TYR 57 Ca 0.22 -0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.89 3kxb h TYR 57 Cb 0.25 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 3kxb h TYR 57 CO 0.02 0.68 -0.00 -0.07 -1.64 0.00 0.00 178.16 177.14 3kxb h LEU 58 N 0.46 1.04 -1.17 2.82 3.38 -1.05 -1.74 115.31 119.05 3kxb h LEU 58 Ca 0.11 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3kxb h LEU 58 Cb 0.38 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3kxb h LEU 58 CO 0.01 1.10 -0.27 0.71 0.09 0.00 0.00 178.44 180.08 3kxb h THR 59 N 0.96 0.70 -0.31 0.22 1.35 -1.16 -1.84 112.91 112.83 3kxb h THR 59 Ca 0.17 -1.18 -0.15 0.00 -0.55 0.00 0.00 66.41 64.69 3kxb h THR 59 Cb 0.56 1.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3kxb h THR 59 CO 0.03 0.26 -0.40 0.00 -0.25 0.00 0.00 175.52 175.17 3kxb h ALA 60 N 1.73 0.47 0.10 6.62 0.00 -0.88 -1.43 119.26 125.88 3kxb h ALA 60 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3kxb h ALA 60 Cb 0.74 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3kxb h ALA 60 CO 0.03 0.58 -0.05 1.49 0.00 0.00 0.00 179.25 181.30 3kxb h GLU 61 N 0.60 -0.13 -0.46 0.00 4.57 -0.99 0.38 114.58 118.54 3kxb h GLU 61 Ca 0.04 0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.12 3kxb h GLU 61 Cb 0.99 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.59 3kxb h GLU 61 CO 0.09 -0.01 -0.13 0.97 -1.18 0.00 0.00 179.01 178.76 3kxb h ILE 62 N -0.22 1.26 -0.09 2.32 2.10 -1.37 -2.41 117.51 119.10 3kxb h ILE 62 Ca -0.01 -1.24 -0.12 0.00 1.08 0.00 0.00 64.86 64.57 3kxb h ILE 62 Cb 0.18 1.05 -0.01 0.00 -1.09 0.00 0.00 36.82 36.95 3kxb h ILE 62 CO 0.02 0.43 -0.49 -0.07 -1.08 0.00 0.00 178.15 176.95 3kxb h LEU 63 N 0.77 0.26 0.57 2.19 3.38 -1.12 0.26 115.31 121.62 3kxb h LEU 63 Ca 0.12 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3kxb h LEU 63 Cb 0.65 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.33 3kxb h LEU 63 CO 0.05 0.72 -0.27 -0.08 0.09 0.00 0.00 178.44 178.94 3kxb h GLU 64 N 0.19 -0.74 -0.85 1.13 4.57 -0.76 0.12 114.58 118.25 3kxb h GLU 64 Ca 0.01 0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3kxb h GLU 64 Cb 0.94 0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.66 3kxb h GLU 64 CO 0.08 -0.48 0.43 -0.07 -1.18 0.00 0.00 179.01 177.78 3kxb h LEU 65 N -0.79 1.09 -0.44 1.64 3.38 -1.25 -1.93 115.31 117.02 3kxb h LEU 65 Ca -0.08 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.61 3kxb h LEU 65 Cb 0.60 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3kxb h LEU 65 CO 0.13 0.91 -0.41 0.00 0.09 0.00 0.00 178.44 179.15 3kxb h ALA 66 N 1.23 0.62 -0.81 1.53 0.00 -0.40 -2.23 119.26 119.19 3kxb h ALA 66 Ca 0.29 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3kxb h ALA 66 Cb 0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3kxb h ALA 66 CO -0.04 0.67 0.53 0.78 0.00 0.00 0.00 179.25 181.20 3kxb h GLY 67 N 0.83 1.14 1.11 0.00 0.00 -0.49 -0.10 103.07 105.57 3kxb h GLY 67 Ca 0.05 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 3kxb h GLY 67 CO 0.10 0.35 -0.08 3.43 0.00 0.00 0.00 176.54 180.34 3kxb h ASN 68 N 1.01 1.04 -0.52 0.19 2.35 -1.03 -1.57 115.58 117.05 3kxb h ASN 68 Ca 0.32 -0.33 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3kxb h ASN 68 Cb 0.01 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 3kxb h ASN 68 CO -0.09 1.13 0.04 0.00 -1.65 0.00 0.00 177.43 176.87 3kxb h ALA 69 N 0.96 1.01 -0.47 -0.83 0.00 -0.73 -0.28 119.26 118.92 3kxb h ALA 69 Ca 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kxb h ALA 69 Cb 0.65 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3kxb h ALA 69 CO 0.04 0.62 0.25 0.00 0.00 0.00 0.00 179.25 180.16 3kxb h ALA 70 N 1.17 0.61 -0.61 0.00 0.00 -0.78 -2.43 119.26 117.20 3kxb h ALA 70 Ca 0.17 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3kxb h ALA 70 Cb 0.45 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3kxb h ALA 70 CO 0.02 0.14 0.36 -0.09 0.00 0.00 0.00 179.25 179.68 3kxb h ARG 71 N 0.63 0.69 0.00 0.00 2.43 -0.38 -0.65 114.38 117.09 3kxb h ARG 71 Ca 0.17 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3kxb h ARG 71 Cb 0.07 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3kxb h ARG 71 CO -0.03 0.45 0.00 -0.44 -1.51 0.00 0.00 179.97 178.45 3kxb h ASP 72 N 0.71 0.00 -0.49 -3.80 3.32 -0.78 -1.68 116.42 113.70 3kxb h ASP 72 Ca 0.26 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 3kxb h ASP 72 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3kxb h ASP 72 CO -0.12 0.00 0.02 0.59 -1.72 0.00 0.00 179.24 178.01 3kxb n ASN 73 N -2.99 5.05 -3.16 6.45 3.02 -0.62 -4.94 115.26 118.07 3kxb n ASN 73 Ca -0.01 -3.01 -0.22 0.00 -0.03 0.00 0.00 54.58 51.32 3kxb n ASN 73 Cb 0.21 -0.65 0.01 0.00 -0.61 0.00 0.00 39.78 38.74 3kxb n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kxb n LYS 74 N 0.17 -3.89 -4.38 3.52 5.02 -0.63 -4.98 118.16 112.98 3kxb n LYS 74 Ca 0.27 0.66 -0.29 0.00 -2.02 0.00 0.00 58.31 56.93 3kxb n LYS 74 Cb 1.13 -5.42 -0.12 0.00 -0.02 0.00 0.00 35.03 30.59 3kxb n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kxb s LYS 75 N -5.82 1.59 0.01 1.97 -0.14 -0.35 -5.02 119.74 111.98 3kxb s LYS 75 Ca 0.33 -1.26 0.22 0.00 -1.36 0.00 0.00 55.97 53.90 3kxb s LYS 75 Cb -0.17 -2.00 -0.27 0.00 -1.68 0.00 0.00 37.83 33.71 3kxb s LYS 75 CO 0.41 0.47 0.57 2.41 -0.76 0.00 0.00 175.35 178.45 3kxb n THR 76 N 0.92 0.18 -4.23 2.17 -1.04 -1.26 -3.74 114.28 107.27 3kxb n THR 76 Ca -0.17 -0.52 -0.34 0.00 -2.04 0.00 0.00 64.05 60.97 3kxb n THR 76 Cb 0.53 -0.09 -0.12 0.00 -1.82 0.00 0.00 70.33 68.83 3kxb n THR 76 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3kxb s ARG 77 N -3.45 3.63 0.12 -2.82 3.52 -1.26 -5.05 118.95 113.64 3kxb s ARG 77 Ca -0.07 -0.53 -0.31 0.00 -0.13 0.00 0.00 55.73 54.70 3kxb s ARG 77 Cb 0.13 -2.99 -0.07 0.00 -1.56 0.00 0.00 34.95 30.46 3kxb s ARG 77 CO 0.88 0.11 1.28 0.42 -0.81 0.00 0.00 175.30 177.19 3kxb s ILE 78 N 0.71 3.57 0.36 4.11 1.01 -1.26 -4.96 121.20 124.75 3kxb s ILE 78 Ca -0.01 1.19 0.06 0.00 0.00 0.00 0.00 60.65 61.89 3kxb s ILE 78 Cb -0.14 -3.76 -0.07 0.00 0.01 0.00 0.00 42.46 38.50 3kxb s ILE 78 CO 0.02 0.12 0.01 0.27 0.00 0.00 0.00 174.94 175.36 3kxb s ILE 79 N 0.71 1.74 0.36 2.92 -4.36 -1.26 -5.02 121.20 116.30 3kxb s ILE 79 Ca 0.59 -2.03 0.14 0.00 -0.26 0.00 0.00 60.65 59.09 3kxb s ILE 79 Cb -0.34 -2.85 0.35 0.00 1.25 0.00 0.00 42.46 40.88 3kxb s ILE 79 CO 0.32 -0.05 1.75 -0.65 0.24 0.00 0.00 174.94 176.55 3kxb h PRO 80 N 1.95 0.47 -0.66 0.37 0.11 -1.88 0.48 132.00 132.84 3kxb h PRO 80 Ca -0.42 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3kxb h PRO 80 Cb 1.24 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3kxb h PRO 80 CO 0.75 0.31 0.35 -0.09 -0.21 0.00 0.00 178.00 179.11 3kxb h ARG 81 N 0.48 0.92 -0.55 1.05 9.65 -1.81 -0.65 114.38 123.47 3kxb h ARG 81 Ca 0.62 -0.10 -0.09 0.00 -1.10 0.00 0.00 59.98 59.31 3kxb h ARG 81 Cb 1.39 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 29.76 3kxb h ARG 81 CO -0.39 0.69 -0.03 0.45 2.80 0.00 0.00 179.97 183.49 3kxb h HIS 82 N 0.92 1.05 -0.43 2.20 3.86 -1.26 0.10 115.15 121.59 3kxb h HIS 82 Ca 0.23 -0.18 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 3kxb h HIS 82 Cb 0.05 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 3kxb h HIS 82 CO 0.01 0.95 0.13 -0.07 0.86 0.00 0.00 177.93 179.80 3kxb h LEU 83 N 0.88 0.63 -0.20 2.43 3.38 -1.11 -1.59 115.31 119.73 3kxb h LEU 83 Ca 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3kxb h LEU 83 Cb 0.55 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kxb h LEU 83 CO 0.03 0.68 0.06 -0.61 0.09 0.00 0.00 178.44 178.69 3kxb h GLN 84 N 0.55 0.31 -0.95 1.13 5.75 -0.77 -1.16 115.11 119.98 3kxb h GLN 84 Ca 0.14 -0.07 0.05 0.00 -0.15 0.00 0.00 58.65 58.62 3kxb h GLN 84 Cb 0.28 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.72 3kxb h GLN 84 CO -0.00 0.41 0.61 -0.07 -2.65 0.00 0.00 178.83 177.13 3kxb h LEU 85 N 0.15 0.99 -0.67 -2.39 3.38 -0.75 0.08 115.31 116.10 3kxb h LEU 85 Ca 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 3kxb h LEU 85 Cb 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kxb h LEU 85 CO -0.00 0.65 -0.31 0.00 0.09 0.00 0.00 178.44 178.87 3kxb h ALA 86 N 1.41 0.85 0.02 1.53 0.00 -1.06 -2.26 119.26 119.75 3kxb h ALA 86 Ca 0.40 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kxb h ALA 86 Cb 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kxb h ALA 86 CO -0.15 0.64 -0.01 0.28 0.00 0.00 0.00 179.25 180.01 3kxb h VAL 87 N 0.59 1.45 0.00 0.00 2.07 -0.69 -3.17 116.25 116.50 3kxb h VAL 87 Ca 0.07 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.04 3kxb h VAL 87 Cb 0.82 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 3kxb h VAL 87 CO 0.07 0.39 -0.13 0.03 0.02 0.00 0.00 177.57 177.95 3kxb h ARG 88 N -0.69 0.00 -0.00 1.57 2.47 -1.05 -2.47 114.38 114.20 3kxb h ARG 88 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3kxb h ARG 88 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 3kxb h ARG 88 CO 0.00 0.13 -0.17 0.09 0.56 0.00 0.00 179.97 180.58 3kxb n ASN 89 N -3.35 0.58 -4.27 7.04 3.02 -0.85 -4.70 115.26 112.73 3kxb n ASN 89 Ca -0.00 -0.56 -0.37 0.00 -0.03 0.00 0.00 54.58 53.62 3kxb n ASN 89 Cb 0.33 -0.02 -0.13 0.00 -0.61 0.00 0.00 39.78 39.35 3kxb n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kxb s ASP 90 N -2.55 5.00 0.21 6.41 2.15 -0.94 -5.02 116.67 121.93 3kxb s ASP 90 Ca 0.25 -0.98 -0.19 0.00 0.43 0.00 0.00 52.55 52.07 3kxb s ASP 90 Cb 0.20 -1.81 0.19 0.00 -0.30 0.00 0.00 42.92 41.20 3kxb s ASP 90 CO 0.51 -0.24 1.57 -0.33 -0.17 0.00 0.00 175.17 176.51 3kxb h GLU 91 N 8.15 -0.07 -0.22 4.34 5.08 -1.84 0.29 114.58 130.32 3kxb h GLU 91 Ca -0.27 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.95 3kxb h GLU 91 Cb 1.10 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3kxb h GLU 91 CO 0.59 -0.05 -0.43 0.93 -1.00 0.00 0.00 179.01 179.05 3kxb h GLU 92 N -0.07 0.68 -0.36 2.33 5.08 -1.95 -1.39 114.58 118.89 3kxb h GLU 92 Ca 0.30 -0.43 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 3kxb h GLU 92 Cb 0.58 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3kxb h GLU 92 CO -0.85 1.05 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.96 3kxb h LEU 93 N 0.38 0.66 -0.88 1.33 3.38 -1.74 0.72 115.31 119.17 3kxb h LEU 93 Ca 0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3kxb h LEU 93 Cb 1.03 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 3kxb h LEU 93 CO 0.10 0.85 0.48 -1.13 0.09 0.00 0.00 178.44 178.82 3kxb h ASN 94 N 0.60 1.11 -0.13 -0.43 -1.24 -0.25 -0.75 115.58 114.49 3kxb h ASN 94 Ca 0.09 -0.10 -0.04 0.00 0.71 0.00 0.00 56.30 56.96 3kxb h ASN 94 Cb 0.64 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.40 3kxb h ASN 94 CO 0.04 0.90 -0.08 0.50 -1.29 0.00 0.00 177.43 177.50 3kxb h LYS 95 N 1.24 0.28 -0.47 6.67 3.64 -0.55 -0.02 116.57 127.36 3kxb h LYS 95 Ca 0.31 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 3kxb h LYS 95 Cb 0.04 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3kxb h LYS 95 CO -0.05 0.63 0.31 1.25 -2.27 0.00 0.00 179.45 179.32 3kxb h LEU 96 N -0.08 0.42 -3.53 5.20 5.85 -0.67 -1.86 115.31 120.64 3kxb h LEU 96 Ca 0.03 -0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.47 3kxb h LEU 96 Cb 0.56 -0.10 -0.16 0.00 0.37 0.00 0.00 40.66 41.33 3kxb h LEU 96 CO 0.02 0.29 0.12 0.18 -0.34 0.00 0.00 178.44 178.71 3kxb n LEU 97 N -4.48 4.86 0.31 2.25 4.77 -0.30 -4.72 117.00 119.69 3kxb n LEU 97 Ca 0.05 -3.74 0.21 0.00 -0.03 0.00 0.00 56.01 52.50 3kxb n LEU 97 Cb 0.17 -0.69 1.08 0.00 -2.33 0.00 0.00 43.42 41.64 3kxb n LEU 97 CO 0.35 1.21 1.12 1.23 -1.33 0.00 0.00 177.39 179.97 3kxb h GLY 98 N 1.01 0.00 -1.09 -0.72 0.00 -0.12 -2.02 103.07 100.13 3kxb h GLY 98 Ca 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 3kxb h GLY 98 CO 0.59 0.00 -0.36 0.54 0.00 0.00 0.00 176.54 177.31 3kxb n ARG 99 N -2.99 1.63 -4.74 4.80 5.12 -1.26 -5.02 116.66 114.20 3kxb n ARG 99 Ca -0.02 -3.20 -0.31 0.00 -1.93 0.00 0.00 57.85 52.39 3kxb n ARG 99 Cb 0.11 -1.65 -0.13 0.00 -1.16 0.00 0.00 32.46 29.63 3kxb n ARG 99 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3kxb s VAL 100 N -3.19 2.62 -0.14 1.55 1.01 -0.76 -5.11 120.40 116.38 3kxb s VAL 100 Ca 0.39 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3kxb s VAL 100 Cb 0.37 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.67 3kxb s VAL 100 CO -0.04 0.36 -0.19 -0.89 0.00 0.00 0.00 175.10 174.33 3kxb s THR 101 N -0.88 2.34 -0.37 3.92 2.01 -1.26 -5.06 115.64 116.34 3kxb s THR 101 Ca 0.14 -0.89 -0.16 0.00 0.31 0.00 0.00 61.69 61.09 3kxb s THR 101 Cb -0.10 -1.96 0.00 0.00 0.01 0.00 0.00 72.50 70.45 3kxb s THR 101 CO 0.04 0.53 0.38 -0.63 -0.69 0.00 0.00 174.62 174.25 3kxb s ILE 102 N 0.78 5.15 0.37 1.82 1.01 -1.26 -5.04 121.20 124.03 3kxb s ILE 102 Ca -0.07 -0.13 -0.28 0.00 0.00 0.00 0.00 60.65 60.17 3kxb s ILE 102 Cb -0.16 -3.89 -0.11 0.00 0.01 0.00 0.00 42.46 38.31 3kxb s ILE 102 CO -0.00 -0.20 1.47 0.00 0.00 0.00 0.00 174.94 176.20 3kxb n ALA 103 N 5.43 2.25 -2.10 9.38 0.00 -1.26 -2.28 120.51 131.94 3kxb n ALA 103 Ca -0.09 0.35 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 3kxb n ALA 103 Cb 0.49 -2.40 -0.04 0.00 0.00 0.00 0.00 19.45 17.49 3kxb n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kxb n GLN 104 N 0.59 -1.61 0.03 0.00 1.13 -1.26 -4.84 117.38 111.42 3kxb n GLN 104 Ca 0.02 1.07 0.11 0.00 -1.94 0.00 0.00 57.00 56.27 3kxb n GLN 104 Cb 0.38 -5.63 -0.10 0.00 0.11 0.00 0.00 30.24 25.00 3kxb n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kxb n GLY 105 N -0.77 -1.18 7.00 1.08 0.00 -0.96 -3.50 105.19 106.86 3kxb n GLY 105 Ca -0.23 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3kxb n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kxb n GLY 106 N 1.23 0.89 3.33 -0.02 0.00 -1.26 -4.60 105.19 104.76 3kxb n GLY 106 Ca -0.02 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 3kxb n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kxb s VAL 107 N 0.00 0.07 0.40 1.61 -7.23 -1.26 -5.06 120.40 108.93 3kxb s VAL 107 Ca 0.00 -1.41 -0.27 0.00 -1.81 0.00 0.00 61.98 58.49 3kxb s VAL 107 Cb 0.00 -1.85 -0.10 0.00 0.56 0.00 0.00 36.38 35.00 3kxb s VAL 107 CO 0.00 -0.31 1.39 -0.76 -0.31 0.00 0.00 175.10 175.11 3kxb s LEU 108 N -2.97 4.26 0.14 1.32 1.43 -1.26 -4.98 118.68 116.61 3kxb s LEU 108 Ca 0.17 2.86 -0.31 0.00 -1.03 0.00 0.00 54.13 55.82 3kxb s LEU 108 Cb 0.04 -3.79 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 3kxb s LEU 108 CO -0.00 -0.89 1.49 -2.84 0.23 0.00 0.00 176.35 174.34 3kxb s PRO 109 N -2.17 4.26 -0.30 1.29 0.02 -1.26 -4.98 135.00 131.86 3kxb s PRO 109 Ca 0.55 2.23 -0.12 0.00 0.02 0.00 0.00 61.00 63.68 3kxb s PRO 109 Cb -0.42 -3.21 0.18 0.00 0.02 0.00 0.00 34.50 31.06 3kxb s PRO 109 CO 0.56 -0.53 0.98 1.21 -0.33 0.00 0.00 177.00 178.89 3kxb s ASN 110 N 1.17 -0.60 -0.15 2.53 2.47 -1.26 -5.14 114.94 113.96 3kxb s ASN 110 Ca 0.68 0.48 -0.01 0.00 0.42 0.00 0.00 52.86 54.43 3kxb s ASN 110 Cb -0.40 1.55 -0.01 0.00 -1.45 0.00 0.00 41.25 40.93 3kxb s ASN 110 CO 0.31 -0.11 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.83 3kxb s ILE 111 N 2.80 3.10 0.26 -5.21 1.01 -1.26 -5.09 121.20 116.81 3kxb s ILE 111 Ca 0.02 -0.63 -0.31 0.00 0.00 0.00 0.00 60.65 59.72 3kxb s ILE 111 Cb -0.10 -2.32 -0.12 0.00 0.01 0.00 0.00 42.46 39.93 3kxb s ILE 111 CO -0.14 0.51 1.59 0.00 0.00 0.00 0.00 174.94 176.90 3kxb n GLN 112 N 3.75 2.59 -0.35 2.79 1.13 -1.26 -4.91 117.38 121.12 3kxb n GLN 112 Ca -0.18 0.92 -0.09 0.00 -1.94 0.00 0.00 57.00 55.72 3kxb n GLN 112 Cb 0.52 -2.70 -0.06 0.00 0.11 0.00 0.00 30.24 28.11 3kxb n GLN 112 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3kxb h SER 113 N 5.13 -1.86 0.00 1.08 0.02 -1.99 -0.52 113.55 115.42 3kxb h SER 113 Ca -0.46 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3kxb h SER 113 Cb 1.23 0.85 0.00 0.00 0.14 0.00 0.00 62.40 64.62 3kxb h SER 113 CO 0.82 -0.28 0.24 1.33 -1.14 0.00 0.00 176.83 177.80 3kxb n VAL 114 N -5.34 0.70 0.89 2.27 0.24 -1.26 -1.53 118.33 114.31 3kxb n VAL 114 Ca 0.03 0.74 0.12 0.00 -2.04 0.00 0.00 64.34 63.19 3kxb n VAL 114 Cb 0.32 -1.74 0.23 0.00 -1.47 0.00 0.00 33.84 31.17 3kxb n VAL 114 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3kxb n LEU 115 N -2.09 0.54 -4.80 1.34 4.77 -0.20 -4.90 117.00 111.65 3kxb n LEU 115 Ca -0.01 0.05 -0.34 0.00 -0.03 0.00 0.00 56.01 55.68 3kxb n LEU 115 Cb 0.26 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 3kxb n LEU 115 CO 0.07 0.08 0.70 -0.76 -1.33 0.00 0.00 177.39 176.15 3kxb s LEU 116 N -3.28 3.86 0.00 2.23 1.43 -0.58 -5.04 118.68 117.30 3kxb s LEU 116 Ca 0.10 1.88 -0.14 0.00 -1.03 0.00 0.00 54.13 54.93 3kxb s LEU 116 Cb 0.17 -4.56 0.20 0.00 0.03 0.00 0.00 46.19 42.03 3kxb s LEU 116 CO 0.71 -0.70 0.98 -0.81 0.23 0.00 0.00 176.35 176.76 3kxb n PRO 117 N -0.92 -1.69 -0.47 1.29 -0.04 -1.26 -5.10 135.00 126.82 3kxb n PRO 117 Ca 0.09 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 62.01 3kxb n PRO 117 Cb 0.53 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 3kxb n PRO 117 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82