#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkb h GLN 49 N 0.00 0.57 -0.01 -1.24 1.08 -2.01 0.52 115.11 114.02 1xkb h GLN 49 Ca 0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1xkb h GLN 49 Cb 0.00 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 1xkb h GLN 49 CO 0.00 0.38 -0.34 0.00 -0.95 0.00 0.00 178.83 177.91 1xkb h GLU 51 N 0.79 0.19 0.00 0.00 4.57 -0.42 0.94 114.58 120.65 1xkb h GLU 51 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1xkb h GLU 51 Cb 0.50 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1xkb h GLU 51 CO 0.00 0.13 -0.23 2.41 -1.18 0.00 0.00 179.01 180.13 1xkb n THR 52 N -4.42 0.26 -3.56 0.32 -1.04 -1.22 -4.97 114.28 99.65 1xkb n THR 52 Ca 0.12 -0.15 -0.21 0.00 -2.04 0.00 0.00 64.05 61.77 1xkb n THR 52 Cb 0.59 -0.31 0.02 0.00 -1.82 0.00 0.00 70.33 68.81 1xkb n THR 52 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1xkb n SER 53 N -1.87 -5.82 0.11 8.00 7.64 0.33 -4.85 113.62 117.15 1xkb n SER 53 Ca 0.05 -0.75 0.11 0.00 1.01 0.00 0.00 58.87 59.29 1xkb n SER 53 Cb 0.39 -3.29 0.46 0.00 -1.01 0.00 0.00 64.21 60.76 1xkb n SER 53 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1xkb n PRO 54 N -3.03 0.15 -2.81 1.43 -0.04 -1.26 -4.83 135.00 124.61 1xkb n PRO 54 Ca -0.14 0.42 -0.33 0.00 -0.04 0.00 0.00 63.50 63.41 1xkb n PRO 54 Cb 0.60 -1.81 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 1xkb n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xkb s GLN 56 N -3.23 1.58 -1.44 0.00 -0.21 -0.35 -4.76 119.66 111.25 1xkb s GLN 56 Ca 0.61 -1.83 -0.08 0.00 0.02 0.00 0.00 55.36 54.08 1xkb s GLN 56 Cb -0.09 -1.01 0.02 0.00 1.00 0.00 0.00 33.01 32.93 1xkb s GLN 56 CO 0.15 -0.06 0.97 0.09 -2.12 0.00 0.00 175.29 174.31 1xkb n ASN 57 N -0.62 -6.06 -2.15 5.90 3.02 -1.26 -2.26 115.26 111.82 1xkb n ASN 57 Ca -0.04 -0.49 -0.16 0.00 -0.03 0.00 0.00 54.58 53.86 1xkb n ASN 57 Cb 0.65 -4.82 0.02 0.00 -0.61 0.00 0.00 39.78 35.01 1xkb n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xkb n GLN 58 N -4.65 -2.92 -2.01 3.52 6.02 -1.26 -4.61 117.38 111.48 1xkb n GLN 58 Ca -0.02 0.71 -0.28 0.00 -0.01 0.00 0.00 57.00 57.39 1xkb n GLN 58 Cb 0.57 -5.10 0.07 0.00 1.02 0.00 0.00 30.24 26.80 1xkb n GLN 58 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1xkb s GLY 59 N -2.63 1.62 -0.28 1.08 0.00 -0.96 -4.63 107.32 101.53 1xkb s GLY 59 Ca 0.16 -0.62 -0.03 0.00 0.00 0.00 0.00 44.72 44.23 1xkb s GLY 59 CO 0.19 -0.20 -0.00 0.54 0.00 0.00 0.00 173.10 173.63 1xkb s LYS 60 N -5.38 2.74 0.20 2.90 1.02 -1.07 -4.77 119.74 115.38 1xkb s LYS 60 Ca 0.60 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.23 1xkb s LYS 60 Cb -0.11 -3.15 -0.08 0.00 -0.52 0.00 0.00 37.83 33.96 1xkb s LYS 60 CO 0.49 -0.50 1.21 0.00 -0.92 0.00 0.00 175.35 175.63 1xkb n LYS 62 N 2.32 0.00 0.00 0.00 5.02 0.43 -4.89 118.16 121.04 1xkb n LYS 62 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1xkb n LYS 62 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 1xkb n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xkb n GLY 64 N 0.00 4.07 0.05 0.72 0.00 0.86 -2.54 105.19 108.36 1xkb n GLY 64 Ca 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 45.12 1xkb n GLY 64 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xkb h LEU 65 N 0.00 -0.24 -3.69 0.99 5.85 -2.07 -3.30 115.31 112.85 1xkb h LEU 65 Ca 0.00 0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.56 1xkb h LEU 65 Cb 0.00 0.10 -0.35 0.00 0.37 0.00 0.00 40.66 40.79 1xkb h LEU 65 CO 0.00 -0.04 -0.98 0.61 -0.34 0.00 0.00 178.44 177.69 1xkb n GLY 66 N -1.04 2.04 3.60 3.75 0.00 -1.26 -5.07 105.19 107.22 1xkb n GLY 66 Ca -0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 1xkb n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xkb s GLU 67 N -1.62 0.78 1.16 1.61 -1.05 -1.25 -5.15 118.70 113.17 1xkb s GLU 67 Ca 0.34 0.67 -0.19 0.00 -0.15 0.00 0.00 54.97 55.63 1xkb s GLU 67 Cb 0.37 0.38 0.27 0.00 -0.44 0.00 0.00 34.13 34.71 1xkb s GLU 67 CO -0.11 -0.15 1.16 1.52 0.95 0.00 0.00 175.26 178.63 1xkb s TYR 68 N -0.13 0.66 -0.17 4.83 1.13 -1.26 0.30 117.35 122.71 1xkb s TYR 68 Ca -0.02 0.43 -0.20 0.00 -1.41 0.00 0.00 57.07 55.87 1xkb s TYR 68 Cb -0.04 -3.61 0.05 0.00 -1.10 0.00 0.00 41.96 37.26 1xkb s TYR 68 CO 0.01 -3.65 0.55 0.99 -2.51 0.00 0.00 175.55 170.94 1xkb s THR 69 N -3.21 0.01 -0.17 -3.49 2.01 -1.05 -4.50 115.64 105.23 1xkb s THR 69 Ca 0.72 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.67 1xkb s THR 69 Cb -0.08 -0.79 -0.00 0.00 0.01 0.00 0.00 72.50 71.64 1xkb s THR 69 CO 0.55 -0.02 -0.13 0.00 -0.69 0.00 0.00 174.62 174.33 1xkb s THR 71 N 1.01 5.50 0.69 0.00 2.01 -0.52 -4.85 115.64 119.48 1xkb s THR 71 Ca -0.01 -2.44 -0.17 0.00 0.31 0.00 0.00 61.69 59.38 1xkb s THR 71 Cb -0.15 -4.41 -0.03 0.00 0.01 0.00 0.00 72.50 67.92 1xkb s THR 71 CO -0.02 -1.01 0.73 0.00 -0.69 0.00 0.00 174.62 173.62 1xkb n LEU 73 N -0.74 0.00 -4.62 0.00 0.00 -1.26 -4.93 117.00 105.45 1xkb n LEU 73 Ca 0.12 -0.86 -0.43 0.00 0.00 0.00 0.00 56.01 54.83 1xkb n LEU 73 Cb 0.49 -0.62 -0.02 0.00 0.00 0.00 0.00 43.42 43.27 1xkb n LEU 73 CO 0.50 -1.20 1.12 -0.70 0.00 0.00 0.00 177.39 177.11 1xkb s GLU 74 N -4.74 3.86 0.00 1.96 -6.30 -1.26 -3.32 118.70 108.90 1xkb s GLU 74 Ca 0.46 1.12 0.00 0.00 -2.50 0.00 0.00 54.97 54.04 1xkb s GLU 74 Cb -0.02 -3.89 0.00 0.00 0.00 0.00 0.00 34.13 30.22 1xkb s GLU 74 CO 0.33 -1.20 0.00 0.41 0.02 0.00 0.00 175.26 174.82 1xkb n GLY 75 N 4.44 0.91 3.23 -1.50 0.00 -1.26 -5.08 105.19 105.94 1xkb n GLY 75 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1xkb n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xkb s PHE 76 N -2.00 1.60 0.08 1.61 0.08 -1.21 -1.94 117.98 116.20 1xkb s PHE 76 Ca 0.00 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.65 1xkb s PHE 76 Cb 0.00 -0.92 0.00 0.00 -0.57 0.00 0.00 43.02 41.54 1xkb s PHE 76 CO 0.00 0.11 0.12 -0.85 -0.10 0.00 0.00 175.22 174.50 1xkb n GLU 77 N 1.51 0.17 0.00 0.44 0.28 -0.66 -4.56 120.64 117.82 1xkb n GLU 77 Ca -0.19 -0.63 0.00 0.00 -0.16 0.00 0.00 57.16 56.18 1xkb n GLU 77 Cb 0.54 0.62 0.00 0.00 1.43 0.00 0.00 31.44 34.03 1xkb n GLU 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xkb n GLY 78 N -0.13 -0.15 0.33 -1.84 0.00 -1.26 -1.97 105.19 100.17 1xkb n GLY 78 Ca 0.00 -1.67 0.17 0.00 0.00 0.00 0.00 46.02 44.51 1xkb n GLY 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xkb n LYS 79 N 0.04 -0.07 -0.36 1.61 4.81 -1.26 -0.88 118.16 122.04 1xkb n LYS 79 Ca 0.00 1.42 0.07 0.00 -0.87 0.00 0.00 58.31 58.94 1xkb n LYS 79 Cb 0.00 -2.30 0.21 0.00 0.02 0.00 0.00 35.03 32.96 1xkb n LYS 79 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xkb n ASN 80 N -5.39 3.04 -3.71 3.14 3.02 -1.26 -4.05 115.26 110.05 1xkb n ASN 80 Ca 0.25 -3.19 -0.23 0.00 -0.03 0.00 0.00 54.58 51.37 1xkb n ASN 80 Cb 0.81 -0.51 0.04 0.00 -0.61 0.00 0.00 39.78 39.51 1xkb n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xkb n GLU 82 N -4.45 1.91 -4.32 0.00 0.00 -0.83 -4.38 120.64 108.56 1xkb n GLU 82 Ca -0.17 -1.83 -0.25 0.00 0.00 0.00 0.00 57.16 54.91 1xkb n GLU 82 Cb 0.62 -1.36 -0.09 0.00 0.00 0.00 0.00 31.44 30.61 1xkb n GLU 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1xkb s LEU 83 N -1.28 2.98 -0.10 -1.84 1.43 -0.86 -4.98 118.68 114.04 1xkb s LEU 83 Ca 0.26 -0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 52.61 1xkb s LEU 83 Cb 0.16 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1xkb s LEU 83 CO 0.23 0.07 0.20 -0.36 0.23 0.00 0.00 176.35 176.71 1xkb s PHE 84 N -1.98 3.62 -0.31 0.29 0.08 -1.26 -1.66 117.98 116.76 1xkb s PHE 84 Ca 0.27 0.63 0.23 0.00 0.12 0.00 0.00 56.93 58.18 1xkb s PHE 84 Cb -0.08 -2.04 0.05 0.00 -0.57 0.00 0.00 43.02 40.38 1xkb s PHE 84 CO 0.16 0.69 1.07 0.25 -0.10 0.00 0.00 175.22 177.30 1xkb n THR 85 N 2.04 0.56 -3.07 0.64 -2.24 -0.82 -4.79 114.28 106.60 1xkb n THR 85 Ca -0.18 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.70 1xkb n THR 85 Cb 0.54 -0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.44 1xkb n THR 85 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1xkb s ARG 86 N -3.33 4.18 -0.02 -0.78 6.06 -1.26 -5.05 118.95 118.74 1xkb s ARG 86 Ca 0.01 0.65 0.02 0.00 -2.50 0.00 0.00 55.73 53.91 1xkb s ARG 86 Cb 0.10 -3.61 0.00 0.00 0.06 0.00 0.00 34.95 31.50 1xkb s ARG 86 CO 0.78 -0.34 -0.09 -1.59 -2.50 0.00 0.00 175.30 171.56 1xkb s LYS 87 N 2.25 0.89 0.78 5.12 -2.85 -1.26 -5.15 119.74 119.52 1xkb s LYS 87 Ca 0.29 -0.30 -0.09 0.00 -1.00 0.00 0.00 55.97 54.87 1xkb s LYS 87 Cb -0.16 -0.84 0.10 0.00 -2.06 0.00 0.00 37.83 34.87 1xkb s LYS 87 CO 0.09 0.12 1.11 -0.51 0.10 0.00 0.00 175.35 176.27 1xkb s LEU 88 N 0.13 2.74 0.63 2.77 1.43 -1.26 -4.53 118.68 120.58 1xkb s LEU 88 Ca -0.02 0.42 0.26 0.00 -1.03 0.00 0.00 54.13 53.76 1xkb s LEU 88 Cb -0.08 -2.89 1.29 0.00 0.03 0.00 0.00 46.19 44.54 1xkb s LEU 88 CO 0.00 -1.91 1.72 0.00 0.23 0.00 0.00 176.35 176.40 1xkb h SER 90 N 0.00 0.20 -3.58 0.00 4.64 -1.91 -3.06 113.55 109.83 1xkb h SER 90 Ca 0.16 -0.05 -0.67 0.00 -0.47 0.00 0.00 61.79 60.76 1xkb h SER 90 Cb 1.33 -0.05 -0.26 0.00 -0.31 0.00 0.00 62.40 63.11 1xkb h SER 90 CO -0.00 0.41 -0.64 -0.22 -0.87 0.00 0.00 176.83 175.51 1xkb s LEU 91 N -8.63 3.66 -1.74 5.97 2.96 0.38 -4.55 118.68 116.73 1xkb s LEU 91 Ca -0.05 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.25 1xkb s LEU 91 Cb 0.15 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.98 1xkb s LEU 91 CO 0.74 -0.15 0.00 0.47 -1.32 0.00 0.00 176.35 176.09 1xkb n ASP 92 N 4.86 -5.13 -1.54 3.68 8.00 -1.26 -0.72 116.55 124.43 1xkb n ASP 92 Ca -0.15 0.22 -0.17 0.00 0.71 0.00 0.00 54.79 55.39 1xkb n ASP 92 Cb 0.49 -4.41 -0.05 0.00 -0.02 0.00 0.00 41.12 37.12 1xkb n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xkb n ASN 93 N -1.59 -5.09 -0.56 -2.24 5.15 -1.16 -0.85 115.26 108.92 1xkb n ASN 93 Ca -0.20 0.28 -0.07 0.00 -0.60 0.00 0.00 54.58 53.99 1xkb n ASN 93 Cb 0.64 -4.13 -0.03 0.00 -0.53 0.00 0.00 39.78 35.72 1xkb n ASN 93 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xkb n GLY 94 N -0.90 0.85 2.55 8.20 0.00 0.10 -2.17 105.19 113.81 1xkb n GLY 94 Ca -0.18 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1xkb n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xkb n ASP 95 N -0.41 -1.78 -4.79 1.61 8.00 -0.03 -4.93 116.55 114.22 1xkb n ASP 95 Ca -0.07 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.08 1xkb n ASP 95 Cb 0.39 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.95 1xkb n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xkb h ASP 97 N 1.43 0.27 0.00 0.00 5.19 -1.82 -3.47 116.42 118.03 1xkb h ASP 97 Ca -0.50 -0.27 0.00 0.00 -0.62 0.00 0.00 57.03 55.64 1xkb h ASP 97 Cb 1.24 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.66 1xkb h ASP 97 CO 0.58 1.17 0.00 0.00 -3.12 0.00 0.00 179.24 177.87 1xkb n GLN 98 N -3.52 0.00 -2.36 3.56 6.02 -1.26 -5.00 117.38 114.81 1xkb n GLN 98 Ca -0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.54 1xkb n GLN 98 Cb 0.94 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.17 1xkb n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1xkb s PHE 99 N 2.24 3.36 0.03 1.08 0.08 -0.72 -4.91 117.98 119.13 1xkb s PHE 99 Ca 0.00 1.61 0.03 0.00 0.12 0.00 0.00 56.93 58.69 1xkb s PHE 99 Cb 0.00 -3.39 -0.02 0.00 -0.57 0.00 0.00 43.02 39.04 1xkb s PHE 99 CO 0.00 -0.98 -0.11 0.00 -0.10 0.00 0.00 175.22 174.03 1xkb s HIS 101 N -0.82 -0.61 0.13 0.00 -3.43 -0.64 -4.99 115.29 104.93 1xkb s HIS 101 Ca -0.01 1.08 -0.04 0.00 -0.80 0.00 0.00 55.06 55.29 1xkb s HIS 101 Cb -0.07 0.41 -0.05 0.00 -1.43 0.00 0.00 32.58 31.44 1xkb s HIS 101 CO 0.01 -0.55 0.35 -1.21 -2.00 0.00 0.00 174.74 171.34 1xkb s GLU 102 N -1.08 3.60 -0.34 -0.38 8.01 -1.26 0.11 118.70 127.36 1xkb s GLU 102 Ca -0.09 -0.13 0.01 0.00 0.01 0.00 0.00 54.97 54.78 1xkb s GLU 102 Cb -0.00 -2.89 0.14 0.00 -4.31 0.00 0.00 34.13 27.07 1xkb s GLU 102 CO 0.08 0.49 0.31 -1.21 0.01 0.00 0.00 175.26 174.95 1xkb s GLU 103 N -2.58 0.50 0.00 1.61 2.02 0.39 -4.86 118.70 115.78 1xkb s GLU 103 Ca 0.39 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.72 1xkb s GLU 103 Cb -0.12 -0.80 0.00 0.00 0.10 0.00 0.00 34.13 33.31 1xkb s GLU 103 CO 0.25 -1.13 0.00 1.04 0.02 0.00 0.00 175.26 175.43 1xkb n GLN 104 N 4.63 0.00 -1.47 1.61 1.13 -1.26 -3.51 117.38 118.50 1xkb n GLN 104 Ca 0.06 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.03 1xkb n GLN 104 Cb 0.44 -2.36 -0.03 0.00 0.11 0.00 0.00 30.24 28.40 1xkb n GLN 104 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1xkb n ASN 105 N 1.41 -3.80 -3.95 1.08 5.03 -1.26 -5.01 115.26 108.76 1xkb n ASN 105 Ca 0.00 0.16 -0.19 0.00 0.87 0.00 0.00 54.58 55.42 1xkb n ASN 105 Cb 0.47 -2.32 -0.15 0.00 -1.02 0.00 0.00 39.78 36.76 1xkb n ASN 105 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1xkb s SER 106 N -2.84 0.90 0.27 6.41 0.15 -1.23 -5.03 113.70 112.33 1xkb s SER 106 Ca 0.00 -0.13 -0.29 0.00 0.70 0.00 0.00 55.95 56.22 1xkb s SER 106 Cb 0.00 -0.28 -0.10 0.00 -1.71 0.00 0.00 66.02 63.94 1xkb s SER 106 CO 0.00 0.02 1.26 -0.69 1.20 0.00 0.00 173.24 175.03 1xkb s VAL 107 N 0.36 3.07 -0.11 4.45 1.01 -1.26 0.15 120.40 128.06 1xkb s VAL 107 Ca -0.05 1.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.91 1xkb s VAL 107 Cb -0.09 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.70 1xkb s VAL 107 CO 0.00 0.20 0.02 -0.69 0.00 0.00 0.00 175.10 174.63 1xkb s VAL 108 N -0.68 0.39 0.50 2.92 1.01 0.31 -4.87 120.40 119.98 1xkb s VAL 108 Ca 0.51 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.38 1xkb s VAL 108 Cb -0.37 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 1xkb s VAL 108 CO 0.45 0.10 0.77 0.00 0.00 0.00 0.00 175.10 176.42 1xkb s SER 110 N -4.21 -0.27 0.13 0.00 1.04 -0.15 -4.96 113.70 105.26 1xkb s SER 110 Ca 0.50 -0.54 0.04 0.00 0.48 0.00 0.00 55.95 56.43 1xkb s SER 110 Cb -0.10 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 1xkb s SER 110 CO 0.42 -1.16 -0.09 0.00 0.98 0.00 0.00 173.24 173.39 1xkb s ALA 112 N -3.32 2.55 0.59 0.00 0.00 -1.26 -4.88 121.76 115.45 1xkb s ALA 112 Ca 0.14 0.62 -0.18 0.00 0.00 0.00 0.00 51.96 52.54 1xkb s ALA 112 Cb 0.03 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 1xkb s ALA 112 CO -0.01 -1.09 0.52 0.54 0.00 0.00 0.00 175.76 175.71 1xkb n ARG 113 N -2.06 0.48 -0.51 0.00 1.74 -1.26 -2.17 116.66 112.88 1xkb n ARG 113 Ca 0.11 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1xkb n ARG 113 Cb 0.52 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1xkb n ARG 113 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xkb n GLY 114 N 1.77 0.75 3.12 -0.13 0.00 -1.26 -4.76 105.19 104.69 1xkb n GLY 114 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 1xkb n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xkb s TYR 115 N -2.68 0.92 -0.03 1.61 1.51 -0.92 -2.11 117.35 115.64 1xkb s TYR 115 Ca 0.00 -0.53 0.05 0.00 -1.01 0.00 0.00 57.07 55.59 1xkb s TYR 115 Cb 0.00 -0.53 -0.01 0.00 -0.11 0.00 0.00 41.96 41.31 1xkb s TYR 115 CO 0.00 -0.03 -0.20 0.99 -1.11 0.00 0.00 175.55 175.21 1xkb s THR 116 N -1.61 1.59 0.13 -0.71 2.01 -0.52 -4.82 115.64 111.71 1xkb s THR 116 Ca -0.04 -0.83 -0.31 0.00 0.31 0.00 0.00 61.69 60.82 1xkb s THR 116 Cb -0.08 -1.34 -0.07 0.00 0.01 0.00 0.00 72.50 71.01 1xkb s THR 116 CO 0.01 0.45 1.29 -0.22 -0.69 0.00 0.00 174.62 175.46 1xkb s LEU 117 N -0.23 4.39 0.83 4.42 2.96 -1.26 -0.36 118.68 129.42 1xkb s LEU 117 Ca 0.02 2.24 -0.13 0.00 -0.22 0.00 0.00 54.13 56.04 1xkb s LEU 117 Cb -0.10 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.06 1xkb s LEU 117 CO 0.01 -0.53 1.00 0.00 -1.32 0.00 0.00 176.35 175.51 1xkb n ALA 118 N 3.42 -0.64 0.31 5.97 0.00 0.65 -4.84 120.51 125.37 1xkb n ALA 118 Ca 0.08 -0.38 0.18 0.00 0.00 0.00 0.00 53.44 53.33 1xkb n ALA 118 Cb 0.44 -2.13 1.00 0.00 0.00 0.00 0.00 19.45 18.76 1xkb n ALA 118 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1xkb h ASP 119 N -1.02 0.00 0.58 0.00 3.04 -1.94 0.28 116.42 117.36 1xkb h ASP 119 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 1xkb h ASP 119 Cb 1.30 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.59 1xkb h ASP 119 CO 0.43 0.02 0.00 -0.46 -2.04 0.00 0.00 179.24 177.19 1xkb n ASN 120 N -3.45 0.00 0.00 4.15 0.23 -1.26 -4.88 115.26 110.05 1xkb n ASN 120 Ca -0.03 0.24 0.00 0.00 -0.53 0.00 0.00 54.58 54.27 1xkb n ASN 120 Cb 0.11 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.42 1xkb n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xkb n GLY 121 N 0.65 0.54 1.23 4.83 0.00 0.09 -4.88 105.19 107.64 1xkb n GLY 121 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1xkb n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xkb n LYS 122 N -2.93 0.00 -1.71 1.61 4.76 -1.26 -4.29 118.16 114.35 1xkb n LYS 122 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 1xkb n LYS 122 Cb 0.00 -0.40 0.06 0.00 -1.84 0.00 0.00 35.03 32.85 1xkb n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xkb s ALA 123 N -2.00 2.34 -0.13 7.82 0.00 -1.26 -2.46 121.76 126.07 1xkb s ALA 123 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1xkb s ALA 123 Cb 0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1xkb s ALA 123 CO 0.00 -1.49 -0.14 0.00 0.00 0.00 0.00 175.76 174.13 1xkb s ILE 125 N 0.37 3.15 -0.06 0.00 1.01 0.51 -4.90 121.20 121.28 1xkb s ILE 125 Ca -0.11 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.66 1xkb s ILE 125 Cb -0.16 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 1xkb s ILE 125 CO 0.06 0.46 1.58 -2.16 0.00 0.00 0.00 174.94 174.87 1xkb s PRO 126 N 1.23 4.20 -0.06 2.79 0.04 -1.26 -1.43 135.00 140.51 1xkb s PRO 126 Ca 0.03 2.11 -0.07 0.00 0.04 0.00 0.00 61.00 63.10 1xkb s PRO 126 Cb -0.14 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 1xkb s PRO 126 CO -0.03 -0.79 0.30 1.15 0.04 0.00 0.00 177.00 177.67 1xkb h THR 127 N 5.45 0.00 -3.97 1.26 2.02 -1.78 -3.48 112.91 112.41 1xkb h THR 127 Ca -0.38 -0.73 -0.44 0.00 0.77 0.00 0.00 66.41 65.64 1xkb h THR 127 Cb 1.17 0.00 0.17 0.00 -1.74 0.00 0.00 68.15 67.75 1xkb h THR 127 CO 0.95 0.00 0.41 -0.83 0.37 0.00 0.00 175.52 176.42 1xkb s GLY 128 N -3.10 1.78 0.10 2.16 0.00 -1.26 -5.02 107.32 101.97 1xkb s GLY 128 Ca -0.04 -1.21 -0.22 0.00 0.00 0.00 0.00 44.72 43.25 1xkb s GLY 128 CO 0.11 -0.42 1.73 -0.56 0.00 0.00 0.00 173.10 173.96 1xkb h PRO 129 N -1.73 -0.02 -3.03 2.90 0.13 -1.97 -3.37 132.00 124.92 1xkb h PRO 129 Ca -0.44 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.04 1xkb h PRO 129 Cb 1.23 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.97 1xkb h PRO 129 CO 0.37 -0.01 -0.40 0.66 -0.23 0.00 0.00 178.00 178.39 1xkb n TYR 130 N -5.13 3.58 -1.06 1.56 4.01 -1.26 -5.08 117.16 113.78 1xkb n TYR 130 Ca -0.06 -4.20 -0.33 0.00 -0.16 0.00 0.00 57.90 53.15 1xkb n TYR 130 Cb 0.06 -0.79 0.13 0.00 -0.31 0.00 0.00 39.34 38.44 1xkb n TYR 130 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1xkb n PRO 131 N 1.88 0.12 -1.25 -0.72 -0.04 -1.26 -4.97 135.00 128.77 1xkb n PRO 131 Ca 0.22 0.12 -0.30 0.00 -0.04 0.00 0.00 63.50 63.50 1xkb n PRO 131 Cb 0.36 -2.41 0.13 0.00 -0.04 0.00 0.00 33.50 31.54 1xkb n PRO 131 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xkb n GLY 133 N -1.25 0.41 3.77 0.00 0.00 -1.26 -4.96 105.19 101.91 1xkb n GLY 133 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1xkb n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkb s LYS 134 N -0.48 3.20 0.76 1.61 -0.14 -1.25 -5.09 119.74 118.35 1xkb s LYS 134 Ca 0.00 -0.28 -0.11 0.00 -1.36 0.00 0.00 55.97 54.22 1xkb s LYS 134 Cb 0.00 -2.98 0.05 0.00 -1.68 0.00 0.00 37.83 33.22 1xkb s LYS 134 CO 0.00 0.74 1.09 -0.65 -0.76 0.00 0.00 175.35 175.77 1xkb s GLN 135 N -0.94 2.36 -0.12 1.68 -0.21 -1.26 -4.99 119.66 116.17 1xkb s GLN 135 Ca 0.14 1.16 -0.09 0.00 0.02 0.00 0.00 55.36 56.59 1xkb s GLN 135 Cb -0.12 -1.91 -0.04 0.00 1.00 0.00 0.00 33.01 31.94 1xkb s GLN 135 CO 0.03 -1.57 0.19 0.95 -2.12 0.00 0.00 175.29 172.78 1xkb s THR 136 N -2.89 5.40 0.30 -0.19 -4.23 -1.26 -5.10 115.64 107.68 1xkb s THR 136 Ca 0.61 0.33 0.08 0.00 -1.18 0.00 0.00 61.69 61.53 1xkb s THR 136 Cb -0.17 -3.48 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1xkb s THR 136 CO 0.55 0.55 0.14 -0.76 -0.54 0.00 0.00 174.62 174.56 1xkb s LEU 137 N -0.59 3.41 0.00 4.79 2.01 -1.26 -5.31 118.68 121.72 1xkb s LEU 137 Ca 0.15 -0.59 0.00 0.00 0.01 0.00 0.00 54.13 53.70 1xkb s LEU 137 Cb -0.13 -1.93 0.00 0.00 0.01 0.00 0.00 46.19 44.14 1xkb s LEU 137 CO 0.04 -0.18 0.00 1.21 1.01 0.00 0.00 176.35 178.43