#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xke s SER 2 N 0.00 6.40 0.00 1.61 0.01 -1.26 -4.73 113.70 115.73 1xke s SER 2 Ca 0.00 -2.27 0.00 0.00 1.31 0.00 0.00 55.95 54.99 1xke s SER 2 Cb 0.00 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1xke s SER 2 CO 0.00 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.57 1xke n GLY 3 N 4.54 -0.45 0.13 3.44 0.00 -1.26 -4.99 105.19 106.60 1xke n GLY 3 Ca 0.01 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 1xke n GLY 3 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xke h GLU 4 N 0.00 0.30 0.00 1.61 5.08 -2.05 -3.45 114.58 116.06 1xke h GLU 4 Ca 0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1xke h GLU 4 Cb 0.00 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1xke h GLU 4 CO 0.00 1.10 0.00 -0.85 -1.00 0.00 0.00 179.01 178.26 1xke n GLU 5 N -3.64 0.00 -0.94 2.33 0.00 -1.26 -4.90 120.64 112.23 1xke n GLU 5 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.10 1xke n GLU 5 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.34 1xke n GLU 5 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1xke n ASP 6 N 0.00 -0.88 -4.56 -1.84 2.03 -1.26 -4.90 116.55 105.14 1xke n ASP 6 Ca 0.00 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.97 1xke n ASP 6 Cb 0.00 -0.55 -0.12 0.00 -0.72 0.00 0.00 41.12 39.74 1xke n ASP 6 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1xke s GLU 7 N -0.20 2.84 0.21 -0.67 -1.05 -1.25 -0.79 118.70 117.78 1xke s GLU 7 Ca 0.00 -0.56 0.07 0.00 -0.15 0.00 0.00 54.97 54.33 1xke s GLU 7 Cb 0.00 -2.61 -0.05 0.00 -0.44 0.00 0.00 34.13 31.03 1xke s GLU 7 CO 0.00 0.61 -0.12 -1.59 0.95 0.00 0.00 175.26 175.11 1xke s LYS 8 N -0.66 1.32 -0.15 -4.83 -2.85 0.20 -4.68 119.74 108.09 1xke s LYS 8 Ca 0.10 -1.60 -0.29 0.00 -1.00 0.00 0.00 55.97 53.18 1xke s LYS 8 Cb -0.11 -1.02 -0.03 0.00 -2.06 0.00 0.00 37.83 34.61 1xke s LYS 8 CO 0.02 0.13 1.48 0.08 0.10 0.00 0.00 175.35 177.15 1xke s VAL 9 N -3.06 3.90 -0.14 1.79 1.01 -1.23 -0.45 120.40 122.22 1xke s VAL 9 Ca 0.23 1.07 -0.25 0.00 0.00 0.00 0.00 61.98 63.03 1xke s VAL 9 Cb 0.01 -3.76 -0.25 0.00 0.00 0.00 0.00 36.38 32.38 1xke s VAL 9 CO 0.07 -0.17 0.63 0.25 0.00 0.00 0.00 175.10 175.88 1xke h LEU 10 N 10.38 0.09 -7.00 3.92 7.12 -1.25 -3.48 115.31 125.09 1xke h LEU 10 Ca -0.32 -0.86 -0.03 0.00 0.13 0.00 0.00 57.88 56.79 1xke h LEU 10 Cb 1.14 -0.03 -0.20 0.00 -0.53 0.00 0.00 40.66 41.04 1xke h LEU 10 CO 0.98 1.22 0.27 -0.47 -0.13 0.00 0.00 178.44 180.30 1xke s TYR 11 N -2.30 -0.60 -0.09 1.25 5.04 -1.26 -5.01 117.35 114.38 1xke s TYR 11 Ca -0.21 1.05 0.03 0.00 -2.44 0.00 0.00 57.07 55.51 1xke s TYR 11 Cb 0.00 0.41 0.01 0.00 0.35 0.00 0.00 41.96 42.73 1xke s TYR 11 CO 0.69 -0.54 -0.19 -1.54 -1.34 0.00 0.00 175.55 172.63 1xke s SER 12 N -1.10 2.59 0.04 4.32 1.04 -1.25 -1.96 113.70 117.39 1xke s SER 12 Ca -0.08 -0.46 -0.12 0.00 0.48 0.00 0.00 55.95 55.76 1xke s SER 12 Cb -0.00 -1.19 0.02 0.00 0.10 0.00 0.00 66.02 64.94 1xke s SER 12 CO 0.08 0.11 0.27 -1.58 0.98 0.00 0.00 173.24 173.10 1xke s GLN 13 N 0.48 0.76 -0.16 4.02 0.74 0.31 -4.88 119.66 120.91 1xke s GLN 13 Ca -0.17 -0.51 -0.29 0.00 0.05 0.00 0.00 55.36 54.44 1xke s GLN 13 Cb -0.17 0.32 -0.01 0.00 1.10 0.00 0.00 33.01 34.25 1xke s GLN 13 CO 0.07 -0.23 1.17 1.03 -0.55 0.00 0.00 175.29 176.77 1xke s ARG 14 N -2.42 4.27 0.25 1.67 0.52 -1.25 0.10 118.95 122.09 1xke s ARG 14 Ca -0.06 1.55 0.02 0.00 -0.52 0.00 0.00 55.73 56.72 1xke s ARG 14 Cb -0.01 -3.68 -0.05 0.00 0.52 0.00 0.00 34.95 31.73 1xke s ARG 14 CO -0.03 -0.61 0.07 0.54 0.02 0.00 0.00 175.30 175.29 1xke s VAL 15 N 3.10 0.68 -0.10 3.52 0.11 0.31 -4.45 120.40 123.57 1xke s VAL 15 Ca 0.51 -2.00 0.03 0.00 -2.93 0.00 0.00 61.98 57.59 1xke s VAL 15 Cb -0.20 -2.56 -0.01 0.00 -1.53 0.00 0.00 36.38 32.08 1xke s VAL 15 CO 0.13 -0.09 -0.20 -0.54 -3.33 0.00 0.00 175.10 171.08 1xke s LYS 16 N -3.99 3.09 -0.07 1.54 1.02 -0.38 -0.25 119.74 120.71 1xke s LYS 16 Ca 0.35 -0.80 -0.03 0.00 0.02 0.00 0.00 55.97 55.51 1xke s LYS 16 Cb 0.07 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 1xke s LYS 16 CO 0.12 0.24 0.06 -1.17 -0.92 0.00 0.00 175.35 173.68 1xke s LEU 17 N 0.23 3.87 0.07 3.17 2.96 0.18 -2.28 118.68 126.89 1xke s LEU 17 Ca -0.13 0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1xke s LEU 17 Cb -0.16 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1xke s LEU 17 CO 0.07 0.35 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.97 1xke s PHE 18 N -1.02 1.09 0.05 5.38 0.40 0.11 0.10 117.98 124.10 1xke s PHE 18 Ca 0.17 -0.51 0.07 0.00 -0.60 0.00 0.00 56.93 56.05 1xke s PHE 18 Cb -0.12 -0.61 -0.03 0.00 0.51 0.00 0.00 43.02 42.77 1xke s PHE 18 CO 0.06 0.02 -0.14 -0.98 0.70 0.00 0.00 175.22 174.88 1xke s ARG 19 N -1.96 2.15 -0.22 0.44 1.70 0.16 -0.78 118.95 120.44 1xke s ARG 19 Ca -0.02 -0.96 -0.18 0.00 -0.47 0.00 0.00 55.73 54.11 1xke s ARG 19 Cb -0.08 -2.26 -0.03 0.00 -0.57 0.00 0.00 34.95 32.00 1xke s ARG 19 CO 0.02 0.54 0.50 0.12 -1.08 0.00 0.00 175.30 175.39 1xke s PHE 20 N -1.01 3.34 -0.27 5.89 2.19 0.18 -0.23 117.98 128.08 1xke s PHE 20 Ca 0.17 0.71 -0.21 0.00 0.33 0.00 0.00 56.93 57.93 1xke s PHE 20 Cb -0.11 -2.66 -0.01 0.00 -1.31 0.00 0.00 43.02 38.93 1xke s PHE 20 CO 0.08 -0.14 0.67 0.34 1.83 0.00 0.00 175.22 178.00 1xke s ASP 21 N 1.24 6.60 0.20 6.13 -1.08 0.25 -4.67 116.67 125.33 1xke s ASP 21 Ca 0.22 0.69 -0.04 0.00 -0.52 0.00 0.00 52.55 52.90 1xke s ASP 21 Cb -0.15 -2.35 0.13 0.00 -1.46 0.00 0.00 42.92 39.09 1xke s ASP 21 CO 0.09 -0.43 1.55 0.00 0.52 0.00 0.00 175.17 176.90 1xke h ALA 22 N 7.94 0.75 0.01 3.66 0.00 -1.93 0.51 119.26 130.21 1xke h ALA 22 Ca -0.26 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 53.99 1xke h ALA 22 Cb 1.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1xke h ALA 22 CO 0.80 0.66 -0.92 0.93 0.00 0.00 0.00 179.25 180.72 1xke h GLU 23 N 0.53 0.10 -0.00 0.00 4.39 -1.96 -3.21 114.58 114.42 1xke h GLU 23 Ca 0.04 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1xke h GLU 23 Cb 0.96 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1xke h GLU 23 CO 0.09 0.95 -0.74 0.28 -1.16 0.00 0.00 179.01 178.43 1xke n VAL 24 N -3.55 0.00 -3.00 3.13 0.31 -1.20 -4.93 118.33 109.09 1xke n VAL 24 Ca -0.02 -0.13 -0.20 0.00 -0.01 0.00 0.00 64.34 63.97 1xke n VAL 24 Cb 0.85 1.05 0.01 0.00 -0.91 0.00 0.00 33.84 34.84 1xke n VAL 24 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1xke n SER 25 N -1.11 -4.64 -4.12 4.52 7.64 0.16 -4.95 113.62 111.11 1xke n SER 25 Ca 0.04 -0.21 -0.19 0.00 1.01 0.00 0.00 58.87 59.52 1xke n SER 25 Cb 0.31 -3.83 -0.13 0.00 -1.01 0.00 0.00 64.21 59.55 1xke n SER 25 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xke s GLN 26 N -5.65 0.86 -0.42 1.43 2.00 -0.26 -4.80 119.66 112.82 1xke s GLN 26 Ca 0.26 -0.73 -0.25 0.00 -2.00 0.00 0.00 55.36 52.64 1xke s GLN 26 Cb -0.13 -0.84 0.02 0.00 0.80 0.00 0.00 33.01 32.86 1xke s GLN 26 CO 0.32 0.21 0.89 1.67 -0.50 0.00 0.00 175.29 177.88 1xke s TRP 27 N -0.87 3.00 -0.00 1.67 -2.14 -1.26 0.84 118.94 120.18 1xke s TRP 27 Ca 0.00 0.51 0.04 0.00 2.66 0.00 0.00 56.10 59.31 1xke s TRP 27 Cb -0.08 -3.77 -0.01 0.00 -3.10 0.00 0.00 33.47 26.51 1xke s TRP 27 CO 0.01 -0.96 -0.14 0.21 -2.66 0.00 0.00 176.95 173.41 1xke s LYS 28 N 3.54 1.11 0.43 3.25 2.47 0.69 -4.92 119.74 126.31 1xke s LYS 28 Ca 0.36 -0.54 -0.25 0.00 -1.56 0.00 0.00 55.97 53.98 1xke s LYS 28 Cb -0.11 -1.08 -0.08 0.00 -1.46 0.00 0.00 37.83 35.09 1xke s LYS 28 CO 0.22 0.29 1.24 -1.83 0.16 0.00 0.00 175.35 175.44 1xke s GLU 29 N -0.44 3.88 -0.20 4.03 1.03 -1.26 0.38 118.70 126.13 1xke s GLU 29 Ca 0.05 1.99 0.00 0.00 0.03 0.00 0.00 54.97 57.04 1xke s GLU 29 Cb -0.06 -2.62 -0.21 0.00 -0.80 0.00 0.00 34.13 30.44 1xke s GLU 29 CO -0.00 -0.51 0.02 0.54 -1.33 0.00 0.00 175.26 173.97 1xke n ARG 30 N -0.10 0.69 -3.16 -4.83 1.74 0.29 -4.73 116.66 106.56 1xke n ARG 30 Ca 0.05 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 1xke n ARG 30 Cb 0.45 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1xke n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xke n GLY 31 N 2.12 -1.37 3.10 -0.13 0.00 -1.11 -5.01 105.19 102.79 1xke n GLY 31 Ca -0.40 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 1xke n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xke s LEU 32 N 0.00 2.25 0.00 0.99 2.01 -1.26 0.51 118.68 123.18 1xke s LEU 32 Ca 0.00 -0.55 0.00 0.00 0.01 0.00 0.00 54.13 53.59 1xke s LEU 32 Cb 0.00 -0.31 0.00 0.00 0.01 0.00 0.00 46.19 45.89 1xke s LEU 32 CO 0.00 -0.14 0.00 0.61 1.01 0.00 0.00 176.35 177.83 1xke n GLY 33 N 1.49 -0.72 2.96 -3.19 0.00 0.66 -4.10 105.19 102.28 1xke n GLY 33 Ca -0.22 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1xke n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xke s ASN 34 N -4.00 1.86 -0.25 1.61 2.47 0.25 -0.53 114.94 116.35 1xke s ASN 34 Ca 0.00 -0.28 -0.17 0.00 0.42 0.00 0.00 52.86 52.83 1xke s ASN 34 Cb 0.00 -0.79 -0.03 0.00 -1.45 0.00 0.00 41.25 38.98 1xke s ASN 34 CO 0.00 -0.04 0.47 -0.22 -3.72 0.00 0.00 177.10 173.59 1xke s LEU 35 N 1.13 4.06 -0.03 3.21 0.20 0.29 -2.17 118.68 125.37 1xke s LEU 35 Ca -0.06 0.48 -0.00 0.00 0.69 0.00 0.00 54.13 55.23 1xke s LEU 35 Cb -0.14 -2.60 -0.04 0.00 -0.43 0.00 0.00 46.19 42.98 1xke s LEU 35 CO -0.02 -0.24 0.04 -0.54 -0.29 0.00 0.00 176.35 175.30 1xke s LYS 36 N 2.12 2.96 -0.19 1.98 1.02 0.16 -0.53 119.74 127.26 1xke s LYS 36 Ca 0.20 -0.49 -0.04 0.00 0.02 0.00 0.00 55.97 55.65 1xke s LYS 36 Cb -0.16 -2.79 -0.02 0.00 -0.52 0.00 0.00 37.83 34.34 1xke s LYS 36 CO 0.09 0.66 -0.03 0.42 -0.92 0.00 0.00 175.35 175.58 1xke s ILE 37 N -1.07 3.73 -0.14 2.17 -1.09 -0.83 -0.32 121.20 123.66 1xke s ILE 37 Ca 0.19 -0.39 -0.03 0.00 -2.23 0.00 0.00 60.65 58.19 1xke s ILE 37 Cb -0.12 -2.67 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 1xke s ILE 37 CO 0.09 0.44 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.44 1xke s LEU 38 N 0.95 3.23 -0.07 2.97 1.43 -0.54 -0.64 118.68 126.01 1xke s LEU 38 Ca 0.00 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1xke s LEU 38 Cb -0.14 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1xke s LEU 38 CO 0.01 0.20 -0.12 -1.59 0.23 0.00 0.00 176.35 175.08 1xke s LYS 39 N 0.17 1.74 0.45 1.70 -2.85 0.40 0.12 119.74 121.48 1xke s LYS 39 Ca -0.02 -0.42 -0.25 0.00 -1.00 0.00 0.00 55.97 54.28 1xke s LYS 39 Cb -0.14 -1.46 -0.08 0.00 -2.06 0.00 0.00 37.83 34.10 1xke s LYS 39 CO 0.03 0.01 1.35 -0.80 0.10 0.00 0.00 175.35 176.04 1xke s ASN 40 N 0.73 5.93 0.29 0.03 0.02 -1.18 -0.63 114.94 120.14 1xke s ASN 40 Ca -0.13 2.75 0.24 0.00 -1.02 0.00 0.00 52.86 54.70 1xke s ASN 40 Cb -0.16 -2.64 0.43 0.00 0.02 0.00 0.00 41.25 38.90 1xke s ASN 40 CO 0.03 -1.12 1.53 -0.33 0.02 0.00 0.00 177.10 177.23 1xke h GLU 41 N 2.26 0.00 0.00 -0.60 5.08 -1.32 -1.52 114.58 118.47 1xke h GLU 41 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1xke h GLU 41 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1xke h GLU 41 CO 0.61 0.00 0.00 0.28 -1.00 0.00 0.00 179.01 178.90 1xke h VAL 42 N 0.00 0.00 -5.47 3.13 2.07 -1.91 -3.47 116.25 110.60 1xke h VAL 42 Ca 0.00 -0.76 -0.38 0.00 0.82 0.00 0.00 66.70 66.38 1xke h VAL 42 Cb 0.89 1.75 0.13 0.00 -1.52 0.00 0.00 31.29 32.53 1xke h VAL 42 CO 0.00 0.00 -0.64 -3.20 0.02 0.00 0.00 177.57 173.75 1xke n ASN 43 N -2.97 -6.13 0.01 0.57 5.15 -0.57 -4.94 115.26 106.38 1xke n ASN 43 Ca 0.03 -0.49 -0.01 0.00 -0.60 0.00 0.00 54.58 53.51 1xke n ASN 43 Cb 0.44 -4.77 -0.00 0.00 -0.53 0.00 0.00 39.78 34.92 1xke n ASN 43 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1xke h GLY 44 N -2.47 -0.04 -2.72 8.20 0.00 -1.91 -3.48 103.07 100.66 1xke h GLY 44 Ca -0.53 0.01 -0.14 0.00 0.00 0.00 0.00 47.33 46.67 1xke h GLY 44 CO 0.53 -0.01 -0.42 1.25 0.00 0.00 0.00 176.54 177.88 1xke s LYS 45 N -2.46 1.13 0.19 4.80 2.20 -1.26 -5.05 119.74 119.29 1xke s LYS 45 Ca -0.01 -1.30 0.10 0.00 -0.36 0.00 0.00 55.97 54.41 1xke s LYS 45 Cb 0.00 0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 1xke s LYS 45 CO 0.02 -0.39 -0.16 -0.51 -0.36 0.00 0.00 175.35 173.94 1xke s LEU 46 N -3.01 2.74 0.16 5.43 2.01 -1.25 -3.08 118.68 121.66 1xke s LEU 46 Ca 0.22 -0.71 0.07 0.00 0.01 0.00 0.00 54.13 53.71 1xke s LEU 46 Cb 0.04 -1.44 -0.04 0.00 0.01 0.00 0.00 46.19 44.77 1xke s LEU 46 CO 0.03 0.11 -0.15 -0.13 1.01 0.00 0.00 176.35 177.21 1xke s ARG 47 N -2.79 1.18 -0.19 1.70 1.81 0.12 -0.00 118.95 120.78 1xke s ARG 47 Ca 0.23 -1.39 0.01 0.00 -1.72 0.00 0.00 55.73 52.86 1xke s ARG 47 Cb -0.08 -1.07 0.02 0.00 -0.45 0.00 0.00 34.95 33.37 1xke s ARG 47 CO 0.13 0.20 -0.19 -1.64 -0.68 0.00 0.00 175.30 173.12 1xke s MET 48 N -3.02 2.92 0.10 3.54 -1.94 0.25 -1.47 119.30 119.69 1xke s MET 48 Ca 0.15 -0.88 0.06 0.00 -1.71 0.00 0.00 55.69 53.32 1xke s MET 48 Cb -0.04 -2.61 -0.03 0.00 2.01 0.00 0.00 34.83 34.16 1xke s MET 48 CO 0.05 -0.24 -0.16 -0.48 -0.01 0.00 0.00 175.02 174.17 1xke s LEU 49 N 1.27 2.33 -0.05 -0.03 0.05 0.57 -0.05 118.68 122.77 1xke s LEU 49 Ca 0.04 -0.70 -0.00 0.00 0.05 0.00 0.00 54.13 53.51 1xke s LEU 49 Cb -0.14 -0.66 0.03 0.00 -2.05 0.00 0.00 46.19 43.37 1xke s LEU 49 CO -0.12 -0.05 0.00 0.00 -0.55 0.00 0.00 176.35 175.63 1xke s MET 50 N -2.09 0.40 0.06 1.48 0.23 -0.96 0.37 119.30 118.80 1xke s MET 50 Ca 0.04 0.11 0.04 0.00 -1.03 0.00 0.00 55.69 54.86 1xke s MET 50 Cb -0.08 -0.68 -0.04 0.00 -1.53 0.00 0.00 34.83 32.50 1xke s MET 50 CO 0.03 -0.21 -0.04 0.50 -2.03 0.00 0.00 175.02 173.28 1xke s ARG 51 N 1.46 2.49 -0.20 3.16 3.52 -0.92 0.14 118.95 128.60 1xke s ARG 51 Ca -0.03 -0.82 -0.17 0.00 -0.13 0.00 0.00 55.73 54.58 1xke s ARG 51 Cb -0.13 -2.50 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 1xke s ARG 51 CO -0.03 0.56 0.45 1.03 -0.81 0.00 0.00 175.30 176.50 1xke s ARG 52 N -1.98 4.18 0.01 5.12 0.52 -0.69 -0.58 118.95 125.53 1xke s ARG 52 Ca 0.22 0.29 -0.06 0.00 -0.52 0.00 0.00 55.73 55.66 1xke s ARG 52 Cb -0.11 -3.55 -0.03 0.00 0.52 0.00 0.00 34.95 31.77 1xke s ARG 52 CO 0.14 -0.09 0.94 1.49 0.02 0.00 0.00 175.30 177.80 1xke h GLU 53 N 7.43 -0.20 0.00 3.54 4.81 -1.90 0.46 114.58 128.72 1xke h GLU 53 Ca -0.35 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1xke h GLU 53 Cb 1.16 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1xke h GLU 53 CO 0.72 -0.13 0.00 1.04 -0.73 0.00 0.00 179.01 179.91 1xke n GLN 54 N -2.63 0.21 0.00 1.92 6.02 -1.26 -1.87 117.38 119.77 1xke n GLN 54 Ca -0.03 0.05 0.13 0.00 -0.01 0.00 0.00 57.00 57.14 1xke n GLN 54 Cb 0.08 -1.50 0.29 0.00 1.02 0.00 0.00 30.24 30.13 1xke n GLN 54 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1xke n VAL 55 N -1.38 0.00 -0.62 5.09 0.31 -1.06 -4.94 118.33 115.73 1xke n VAL 55 Ca 0.10 -0.24 -0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1xke n VAL 55 Cb 0.24 0.77 -0.00 0.00 -0.91 0.00 0.00 33.84 33.94 1xke n VAL 55 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1xke n LEU 56 N -0.04 0.56 -3.90 7.52 7.94 0.16 -4.86 117.00 124.37 1xke n LEU 56 Ca 0.13 0.01 -0.30 0.00 -1.11 0.00 0.00 56.01 54.74 1xke n LEU 56 Cb 0.41 -1.71 -0.15 0.00 0.53 0.00 0.00 43.42 42.50 1xke n LEU 56 CO 0.23 -0.60 -0.38 -0.75 -1.11 0.00 0.00 177.39 174.78 1xke s LYS 57 N -1.25 1.32 -0.27 1.96 2.47 -0.94 -4.85 119.74 118.17 1xke s LYS 57 Ca 0.00 -1.19 -0.43 0.00 -1.56 0.00 0.00 55.97 52.79 1xke s LYS 57 Cb 0.00 -2.56 -0.20 0.00 -1.46 0.00 0.00 37.83 33.61 1xke s LYS 57 CO 0.00 -0.78 1.34 1.55 0.16 0.00 0.00 175.35 177.62 1xke n VAL 58 N 4.63 0.00 0.03 4.02 3.14 -1.26 -1.70 118.33 127.19 1xke n VAL 58 Ca -0.06 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.37 1xke n VAL 58 Cb 0.43 -0.27 -0.07 0.00 -1.06 0.00 0.00 33.84 32.87 1xke n VAL 58 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xke s ALA 60 N -2.53 -0.22 -0.44 0.00 0.00 -1.22 -4.73 121.76 112.62 1xke s ALA 60 Ca -0.03 0.62 -0.09 0.00 0.00 0.00 0.00 51.96 52.46 1xke s ALA 60 Cb 0.06 -0.77 0.10 0.00 0.00 0.00 0.00 23.12 22.51 1xke s ALA 60 CO 0.36 -0.49 0.30 1.21 0.00 0.00 0.00 175.76 177.13 1xke s ASN 61 N 2.09 5.66 -0.23 0.00 2.47 -1.26 -2.27 114.94 121.40 1xke s ASN 61 Ca 0.01 -1.70 -0.12 0.00 0.42 0.00 0.00 52.86 51.47 1xke s ASN 61 Cb -0.12 -2.00 -0.05 0.00 -1.45 0.00 0.00 41.25 37.64 1xke s ASN 61 CO -0.06 -0.61 0.22 -1.00 -3.72 0.00 0.00 177.10 171.93 1xke s HIS 62 N 1.39 3.33 0.06 0.43 3.76 0.92 -3.30 115.29 121.88 1xke s HIS 62 Ca 0.04 0.32 -0.24 0.00 -0.15 0.00 0.00 55.06 55.03 1xke s HIS 62 Cb -0.24 -2.34 -0.06 0.00 1.11 0.00 0.00 32.58 31.05 1xke s HIS 62 CO 0.01 0.04 0.75 -1.58 -0.85 0.00 0.00 174.74 173.11 1xke s TRP 63 N 1.14 3.76 -0.32 1.40 0.51 -1.26 0.88 118.94 125.06 1xke s TRP 63 Ca 0.10 1.47 -0.09 0.00 -2.12 0.00 0.00 56.10 55.47 1xke s TRP 63 Cb -0.14 -2.79 0.00 0.00 -0.81 0.00 0.00 33.47 29.74 1xke s TRP 63 CO 0.05 0.33 0.15 -1.50 -0.51 0.00 0.00 176.95 175.47 1xke s ILE 64 N -0.27 4.46 0.14 2.03 -1.16 1.00 -4.88 121.20 122.51 1xke s ILE 64 Ca 0.37 -0.55 -0.05 0.00 -0.51 0.00 0.00 60.65 59.91 1xke s ILE 64 Cb -0.21 -3.32 -0.02 0.00 0.61 0.00 0.00 42.46 39.52 1xke s ILE 64 CO 0.23 0.02 0.16 0.28 -2.81 0.00 0.00 174.94 172.82 1xke s THR 65 N 1.58 0.10 -1.62 4.00 -1.32 -1.26 -3.86 115.64 113.25 1xke s THR 65 Ca 0.04 -1.62 0.25 0.00 -1.21 0.00 0.00 61.69 59.14 1xke s THR 65 Cb -0.17 -1.86 0.52 0.00 -1.51 0.00 0.00 72.50 69.47 1xke s THR 65 CO 0.06 -0.45 1.83 0.35 -2.21 0.00 0.00 174.62 174.19 1xke n THR 66 N -0.13 0.15 1.42 5.08 -2.24 -1.26 -2.23 114.28 115.08 1xke n THR 66 Ca -0.08 0.04 0.14 0.00 -2.27 0.00 0.00 64.05 61.89 1xke n THR 66 Cb 0.63 -0.64 0.68 0.00 -2.10 0.00 0.00 70.33 68.90 1xke n THR 66 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xke n THR 67 N -1.19 0.00 -4.22 4.28 -1.04 -1.26 -4.74 114.28 106.10 1xke n THR 67 Ca 0.14 -0.03 -0.13 0.00 -2.04 0.00 0.00 64.05 61.99 1xke n THR 67 Cb 0.16 -0.29 -0.10 0.00 -1.82 0.00 0.00 70.33 68.28 1xke n THR 67 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1xke s MET 68 N -2.52 1.06 -0.01 -2.82 -2.45 -0.95 -5.12 119.30 106.49 1xke s MET 68 Ca 0.29 -1.50 -0.01 0.00 -1.25 0.00 0.00 55.69 53.22 1xke s MET 68 Cb 0.20 -0.20 0.01 0.00 1.25 0.00 0.00 34.83 36.08 1xke s MET 68 CO 0.47 -0.13 0.04 1.21 1.05 0.00 0.00 175.02 177.65 1xke s ASN 69 N -3.14 -0.03 -0.00 1.11 3.84 -1.26 -4.77 114.94 110.68 1xke s ASN 69 Ca 0.22 0.07 -0.21 0.00 0.21 0.00 0.00 52.86 53.16 1xke s ASN 69 Cb 0.06 0.06 -0.05 0.00 -0.55 0.00 0.00 41.25 40.77 1xke s ASN 69 CO 0.03 -0.03 0.60 -1.48 -2.79 0.00 0.00 177.10 173.43 1xke s LEU 70 N 0.15 4.42 -0.01 3.21 0.05 -1.26 -4.07 118.68 121.17 1xke s LEU 70 Ca -0.01 1.17 0.03 0.00 0.05 0.00 0.00 54.13 55.37 1xke s LEU 70 Cb -0.02 -2.94 -0.01 0.00 -2.05 0.00 0.00 46.19 41.18 1xke s LEU 70 CO -0.00 0.10 -0.09 -0.75 -0.55 0.00 0.00 176.35 175.05 1xke s LYS 71 N -0.17 0.73 0.40 1.48 2.47 0.29 -4.93 119.74 120.01 1xke s LYS 71 Ca 0.31 -0.33 -0.07 0.00 -1.56 0.00 0.00 55.97 54.32 1xke s LYS 71 Cb -0.18 -0.70 -0.05 0.00 -1.46 0.00 0.00 37.83 35.43 1xke s LYS 71 CO 0.17 0.19 0.72 -1.25 0.16 0.00 0.00 175.35 175.35 1xke s PRO 72 N -0.24 3.66 0.46 4.03 0.04 -1.26 0.30 135.00 141.99 1xke s PRO 72 Ca 0.03 0.25 0.02 0.00 0.04 0.00 0.00 61.00 61.35 1xke s PRO 72 Cb -0.04 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 32.06 1xke s PRO 72 CO -0.00 -0.03 0.66 -0.48 0.04 0.00 0.00 177.00 177.19 1xke s LEU 73 N -4.09 3.59 0.44 -3.56 2.34 -1.23 -4.87 118.68 111.29 1xke s LEU 73 Ca 0.48 0.06 -0.23 0.00 0.06 0.00 0.00 54.13 54.50 1xke s LEU 73 Cb -0.10 -2.97 -0.08 0.00 -0.56 0.00 0.00 46.19 42.48 1xke s LEU 73 CO 0.36 -0.79 1.07 -0.44 -1.06 0.00 0.00 176.35 175.49 1xke s SER 74 N -4.28 6.51 -0.33 1.48 0.01 -1.26 -3.47 113.70 112.36 1xke s SER 74 Ca 0.51 2.07 0.00 0.00 1.31 0.00 0.00 55.95 59.84 1xke s SER 74 Cb -0.10 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1xke s SER 74 CO 0.36 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.96 1xke n GLY 75 N 0.22 0.58 3.77 3.44 0.00 -1.26 -4.96 105.19 106.98 1xke n GLY 75 Ca 0.07 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1xke n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xke s SER 76 N -2.36 7.34 -0.10 1.61 1.04 -1.23 -4.94 113.70 115.06 1xke s SER 76 Ca 0.00 1.96 -0.18 0.00 0.48 0.00 0.00 55.95 58.21 1xke s SER 76 Cb 0.00 -2.60 -0.15 0.00 0.10 0.00 0.00 66.02 63.37 1xke s SER 76 CO 0.00 -0.07 0.59 -2.24 0.98 0.00 0.00 173.24 172.50 1xke h ASP 77 N 3.47 -0.06 0.00 7.02 3.04 -1.92 -3.44 116.42 124.52 1xke h ASP 77 Ca -0.46 -0.50 -0.10 0.00 -3.24 0.00 0.00 57.03 52.73 1xke h ASP 77 Cb 1.20 0.02 -0.10 0.00 -1.04 0.00 0.00 39.33 39.41 1xke h ASP 77 CO 0.66 0.64 0.13 -1.14 -2.04 0.00 0.00 179.24 177.49 1xke n ARG 78 N -4.77 0.29 -4.32 4.15 3.00 -1.26 -4.72 116.66 109.04 1xke n ARG 78 Ca -0.06 -0.82 -0.35 0.00 -0.00 0.00 0.00 57.85 56.61 1xke n ARG 78 Cb 0.27 -0.01 -0.09 0.00 0.00 0.00 0.00 32.46 32.62 1xke n ARG 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xke s ALA 79 N 0.05 3.33 0.11 5.13 0.00 -1.26 -4.13 121.76 124.99 1xke s ALA 79 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1xke s ALA 79 Cb 0.10 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1xke s ALA 79 CO -0.03 0.56 -0.00 -1.58 0.00 0.00 0.00 175.76 174.71 1xke s TRP 80 N -0.80 0.84 0.15 0.00 0.52 -1.20 -3.56 118.94 114.88 1xke s TRP 80 Ca 0.12 -1.08 0.08 0.00 0.02 0.00 0.00 56.10 55.24 1xke s TRP 80 Cb -0.12 -0.51 -0.04 0.00 -1.15 0.00 0.00 33.47 31.66 1xke s TRP 80 CO 0.02 -0.35 -0.17 0.00 0.02 0.00 0.00 176.95 176.47 1xke s MET 81 N -3.94 1.19 0.04 4.98 0.23 0.15 -2.07 119.30 119.88 1xke s MET 81 Ca 0.17 -1.33 0.04 0.00 -1.03 0.00 0.00 55.69 53.53 1xke s MET 81 Cb 0.07 -1.23 -0.02 0.00 -1.53 0.00 0.00 34.83 32.12 1xke s MET 81 CO -0.02 0.25 -0.11 -1.58 -2.03 0.00 0.00 175.02 171.53 1xke s TRP 82 N -1.96 0.98 -0.23 3.16 0.51 -0.45 -0.54 118.94 120.40 1xke s TRP 82 Ca 0.13 -0.38 -0.10 0.00 -2.12 0.00 0.00 56.10 53.63 1xke s TRP 82 Cb -0.06 -0.58 -0.05 0.00 -0.81 0.00 0.00 33.47 31.98 1xke s TRP 82 CO 0.05 0.00 0.13 -0.48 -0.51 0.00 0.00 176.95 176.15 1xke s LEU 83 N -1.24 3.98 0.07 2.99 2.34 -1.26 -1.81 118.68 123.75 1xke s LEU 83 Ca -0.02 0.07 -0.06 0.00 0.06 0.00 0.00 54.13 54.18 1xke s LEU 83 Cb -0.08 -2.06 -0.02 0.00 -0.56 0.00 0.00 46.19 43.48 1xke s LEU 83 CO 0.01 0.07 0.10 0.00 -1.06 0.00 0.00 176.35 175.48 1xke s ALA 84 N 1.00 0.03 -0.14 1.48 0.00 -0.29 -4.77 121.76 119.07 1xke s ALA 84 Ca 0.06 -0.78 -0.21 0.00 0.00 0.00 0.00 51.96 51.04 1xke s ALA 84 Cb -0.14 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 1xke s ALA 84 CO 0.04 -0.43 0.59 0.45 0.00 0.00 0.00 175.76 176.41 1xke s SER 85 N -2.73 6.76 -0.11 0.00 0.15 -1.26 -1.35 113.70 115.17 1xke s SER 85 Ca 0.04 0.91 -0.05 0.00 0.70 0.00 0.00 55.95 57.55 1xke s SER 85 Cb 0.05 -2.34 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 1xke s SER 85 CO -0.09 -0.14 0.09 -0.62 1.20 0.00 0.00 173.24 173.67 1xke s ASP 86 N 0.91 5.93 -0.52 5.45 2.15 0.76 -4.17 116.67 127.18 1xke s ASP 86 Ca 0.30 0.33 0.07 0.00 0.43 0.00 0.00 52.55 53.68 1xke s ASP 86 Cb -0.16 -1.85 0.19 0.00 -0.30 0.00 0.00 42.92 40.81 1xke s ASP 86 CO 0.12 0.39 0.73 0.33 -0.17 0.00 0.00 175.17 176.57 1xke n PHE 87 N 2.11 -3.77 -0.04 -5.34 -0.00 -1.21 -1.71 117.46 107.50 1xke n PHE 87 Ca -0.19 -1.41 -0.03 0.00 -0.00 0.00 0.00 57.45 55.81 1xke n PHE 87 Cb 0.54 1.47 0.20 0.00 -0.00 0.00 0.00 39.48 41.70 1xke n PHE 87 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1xke h SER 88 N 4.95 0.61 0.00 -2.13 4.64 -1.85 -3.42 113.55 116.35 1xke h SER 88 Ca 0.05 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1xke h SER 88 Cb 1.10 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1xke h SER 88 CO 0.03 0.74 0.00 -0.67 -0.87 0.00 0.00 176.83 176.07 1xke n ASP 89 N -4.19 0.00 -0.00 4.97 2.03 -1.26 -4.89 116.55 113.20 1xke n ASP 89 Ca 0.01 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.32 1xke n ASP 89 Cb 0.33 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1xke n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xke n GLY 90 N 0.00 -0.15 3.64 0.27 0.00 -1.26 -5.06 105.19 102.63 1xke n GLY 90 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1xke n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xke s ASP 91 N -4.72 -0.65 -0.76 1.61 2.15 -1.26 -5.08 116.67 107.97 1xke s ASP 91 Ca -0.01 1.05 -0.27 0.00 0.43 0.00 0.00 52.55 53.75 1xke s ASP 91 Cb 0.00 1.26 0.03 0.00 -0.30 0.00 0.00 42.92 43.90 1xke s ASP 91 CO 0.02 -0.17 1.34 0.00 -0.17 0.00 0.00 175.17 176.19 1xke s ALA 92 N 1.37 2.70 0.06 3.66 0.00 -1.24 -4.08 121.76 124.24 1xke s ALA 92 Ca -0.09 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.48 1xke s ALA 92 Cb -0.04 -4.29 -0.03 0.00 0.00 0.00 0.00 23.12 18.76 1xke s ALA 92 CO -0.16 -3.38 -0.07 0.21 0.00 0.00 0.00 175.76 172.36 1xke s LYS 93 N 5.76 0.65 -0.20 0.00 2.20 -0.69 -4.96 119.74 122.51 1xke s LYS 93 Ca 0.39 -1.00 -0.07 0.00 -0.36 0.00 0.00 55.97 54.93 1xke s LYS 93 Cb -0.08 -0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 35.97 1xke s LYS 93 CO 0.13 0.02 0.04 -0.48 -0.36 0.00 0.00 175.35 174.70 1xke s LEU 94 N -2.19 3.56 0.11 5.43 0.05 -1.26 -0.17 118.68 124.22 1xke s LEU 94 Ca -0.01 -0.07 -0.04 0.00 0.05 0.00 0.00 54.13 54.07 1xke s LEU 94 Cb -0.04 -1.91 -0.03 0.00 -2.05 0.00 0.00 46.19 42.17 1xke s LEU 94 CO -0.02 0.10 0.10 -0.70 -0.55 0.00 0.00 176.35 175.28 1xke s GLU 95 N 0.80 0.89 -0.30 1.48 2.12 -0.46 -4.93 118.70 118.31 1xke s GLU 95 Ca 0.02 -1.27 -0.08 0.00 0.36 0.00 0.00 54.97 54.00 1xke s GLU 95 Cb -0.14 0.28 -0.00 0.00 0.26 0.00 0.00 34.13 34.53 1xke s GLU 95 CO 0.02 -0.26 0.11 -0.65 -0.54 0.00 0.00 175.26 173.94 1xke s GLN 96 N -3.98 3.23 -0.03 4.30 -0.21 -1.26 -1.14 119.66 120.57 1xke s GLN 96 Ca 0.16 -0.77 0.05 0.00 0.02 0.00 0.00 55.36 54.82 1xke s GLN 96 Cb 0.06 -3.45 -0.03 0.00 1.00 0.00 0.00 33.01 30.60 1xke s GLN 96 CO -0.03 -0.41 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.04 1xke s LEU 97 N 1.55 2.55 0.22 2.90 2.01 -0.75 -0.65 118.68 126.52 1xke s LEU 97 Ca 0.04 -0.29 0.10 0.00 0.01 0.00 0.00 54.13 53.99 1xke s LEU 97 Cb -0.17 -1.50 -0.04 0.00 0.01 0.00 0.00 46.19 44.49 1xke s LEU 97 CO 0.04 0.33 -0.12 0.00 1.01 0.00 0.00 176.35 177.61 1xke s ALA 98 N -0.73 2.88 -0.15 4.21 0.00 0.04 -1.34 121.76 126.68 1xke s ALA 98 Ca 0.12 -1.61 -0.11 0.00 0.00 0.00 0.00 51.96 50.35 1xke s ALA 98 Cb -0.10 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.48 1xke s ALA 98 CO 0.01 0.39 0.37 0.00 0.00 0.00 0.00 175.76 176.52 1xke s ALA 99 N -1.96 -0.92 0.05 0.00 0.00 -0.88 0.04 121.76 118.08 1xke s ALA 99 Ca 0.26 1.20 0.06 0.00 0.00 0.00 0.00 51.96 53.48 1xke s ALA 99 Cb -0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 1xke s ALA 99 CO 0.15 -0.21 -0.17 -1.59 0.00 0.00 0.00 175.76 173.94 1xke s LYS 100 N 0.70 1.14 0.32 0.00 -2.85 -0.96 -3.27 119.74 114.81 1xke s LYS 100 Ca -0.04 -0.87 0.05 0.00 -1.00 0.00 0.00 55.97 54.12 1xke s LYS 100 Cb -0.05 -1.21 -0.01 0.00 -2.06 0.00 0.00 37.83 34.49 1xke s LYS 100 CO -0.05 0.30 0.46 -0.06 0.10 0.00 0.00 175.35 176.11 1xke s PHE 101 N -0.85 3.22 0.37 1.78 0.40 -1.26 -1.25 117.98 120.38 1xke s PHE 101 Ca 0.04 -0.12 0.11 0.00 -0.60 0.00 0.00 56.93 56.36 1xke s PHE 101 Cb -0.08 -1.91 0.88 0.00 0.51 0.00 0.00 43.02 42.41 1xke s PHE 101 CO 0.02 0.08 1.87 0.87 0.70 0.00 0.00 175.22 178.75 1xke h LYS 102 N 0.92 0.61 -4.48 0.44 1.57 -1.95 -3.43 116.57 110.25 1xke h LYS 102 Ca -0.47 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.09 1xke h LYS 102 Cb 1.25 -0.14 -0.15 0.00 0.08 0.00 0.00 32.23 33.27 1xke h LYS 102 CO 0.55 0.40 -0.68 0.95 -0.57 0.00 0.00 179.45 180.10 1xke s THR 103 N -5.62 0.44 -0.76 -0.16 -4.23 -1.26 -5.01 115.64 99.04 1xke s THR 103 Ca -0.10 -1.89 0.09 0.00 -1.18 0.00 0.00 61.69 58.62 1xke s THR 103 Cb 0.22 -1.69 0.09 0.00 1.34 0.00 0.00 72.50 72.47 1xke s THR 103 CO 0.79 -0.85 1.29 -2.65 -0.54 0.00 0.00 174.62 172.65 1xke n PRO 104 N -0.00 0.05 -0.03 3.99 -0.02 -1.26 -0.24 135.00 137.49 1xke n PRO 104 Ca -0.12 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 61.73 1xke n PRO 104 Cb 0.61 -1.65 -0.10 0.00 -0.02 0.00 0.00 33.50 32.35 1xke n PRO 104 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xke h GLU 105 N 0.00 0.07 -0.02 -0.52 4.57 -1.95 0.70 114.58 117.44 1xke h GLU 105 Ca 0.00 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.04 1xke h GLU 105 Cb 0.06 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1xke h GLU 105 CO 0.00 0.59 -0.35 -0.07 -1.18 0.00 0.00 179.01 178.00 1xke h LEU 106 N -0.44 0.34 -0.19 1.64 3.38 -1.61 -2.33 115.31 116.10 1xke h LEU 106 Ca 0.00 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.22 1xke h LEU 106 Cb 0.58 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1xke h LEU 106 CO 0.01 1.02 0.06 0.00 0.09 0.00 0.00 178.44 179.62 1xke h ALA 107 N 0.32 0.25 -0.01 1.53 0.00 -0.70 -2.70 119.26 117.95 1xke h ALA 107 Ca -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1xke h ALA 107 Cb 1.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1xke h ALA 107 CO 0.07 -0.13 -0.03 1.49 0.00 0.00 0.00 179.25 180.65 1xke h GLU 108 N 0.13 0.04 -0.95 0.00 4.81 0.43 -2.68 114.58 116.37 1xke h GLU 108 Ca 0.06 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1xke h GLU 108 Cb 0.22 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1xke h GLU 108 CO -0.00 0.58 0.62 0.93 -0.73 0.00 0.00 179.01 180.41 1xke h GLU 109 N -0.49 1.17 0.11 1.92 4.39 -1.50 -0.49 114.58 119.69 1xke h GLU 109 Ca 0.00 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1xke h GLU 109 Cb 0.58 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1xke h GLU 109 CO 0.01 0.78 -0.05 0.35 -1.16 0.00 0.00 179.01 178.93 1xke h PHE 110 N 1.21 -0.13 -0.61 4.33 3.57 -1.47 -1.94 116.94 121.90 1xke h PHE 110 Ca 0.37 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.80 1xke h PHE 110 Cb -0.02 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1xke h PHE 110 CO -0.00 -0.00 0.10 0.87 -2.23 0.00 0.00 178.31 177.05 1xke h LYS 111 N -0.23 1.01 0.13 1.11 1.79 -0.99 -0.71 116.57 118.68 1xke h LYS 111 Ca -0.01 -0.27 -0.01 0.00 -2.18 0.00 0.00 60.65 58.18 1xke h LYS 111 Cb 0.19 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1xke h LYS 111 CO 0.02 0.94 -0.06 1.96 -1.08 0.00 0.00 179.45 181.24 1xke h GLN 112 N 0.92 -0.17 -0.54 3.15 1.08 -1.10 -0.19 115.11 118.26 1xke h GLN 112 Ca 0.19 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.35 1xke h GLN 112 Cb 0.42 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 1xke h GLN 112 CO 0.01 -0.11 0.15 -0.22 -0.95 0.00 0.00 178.83 177.71 1xke h LYS 113 N -0.17 0.82 -0.09 1.46 1.63 -1.17 -1.54 116.57 117.51 1xke h LYS 113 Ca -0.02 -0.16 -0.08 0.00 -0.85 0.00 0.00 60.65 59.55 1xke h LYS 113 Cb 0.13 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1xke h LYS 113 CO 0.03 0.73 -0.24 0.74 -3.45 0.00 0.00 179.45 177.26 1xke h PHE 114 N 0.80 0.41 0.00 1.91 0.04 -0.75 0.30 116.94 119.65 1xke h PHE 114 Ca 0.18 -0.16 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 1xke h PHE 114 Cb 0.27 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1xke h PHE 114 CO 0.02 0.85 -0.33 1.05 -0.60 0.00 0.00 178.31 179.30 1xke h GLU 115 N -0.14 0.00 -0.10 1.51 -0.00 -1.02 0.14 114.58 114.96 1xke h GLU 115 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1xke h GLU 115 Cb 0.85 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.59 1xke h GLU 115 CO 0.05 0.33 0.06 1.49 -0.00 0.00 0.00 179.01 180.94 1xke h GLU 116 N 0.00 0.12 -0.54 1.06 4.81 -1.17 -2.50 114.58 116.37 1xke h GLU 116 Ca -0.00 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1xke h GLU 116 Cb 0.60 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1xke h GLU 116 CO 0.04 0.08 0.36 0.00 -0.73 0.00 0.00 179.01 178.76 1xke h GLN 118 N 0.64 -0.31 -0.04 0.00 4.20 -0.58 0.85 115.11 119.86 1xke h GLN 118 Ca 0.21 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.89 1xke h GLN 118 Cb 0.07 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1xke h GLN 118 CO -0.06 -0.21 -0.21 0.00 -0.67 0.00 0.00 178.83 177.69 1xke h ARG 119 N -0.33 0.22 0.03 1.46 -0.00 -1.00 -3.39 114.38 111.37 1xke h ARG 119 Ca -0.02 -0.18 -0.10 0.00 -0.50 0.00 0.00 59.98 59.18 1xke h ARG 119 Cb 0.27 0.04 0.01 0.00 0.00 0.00 0.00 29.97 30.29 1xke h ARG 119 CO 0.02 0.82 -0.43 -0.07 0.00 0.00 0.00 179.97 180.32 1xke h LEU 120 N -0.34 0.33 -2.36 3.04 4.07 0.22 -3.37 115.31 116.90 1xke h LEU 120 Ca -0.01 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 57.12 1xke h LEU 120 Cb 0.86 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.50 1xke h LEU 120 CO 0.04 1.12 0.00 0.25 -1.08 0.00 0.00 178.44 178.77 1xke h LEU 121 N -0.42 0.00 -0.72 1.67 7.12 -0.96 -2.85 115.31 119.15 1xke h LEU 121 Ca -0.06 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.92 1xke h LEU 121 Cb 1.21 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.31 1xke h LEU 121 CO 0.08 0.00 0.34 -0.07 -0.13 0.00 0.00 178.44 178.66 1xke h LEU 122 N 0.00 0.95 0.00 2.25 3.38 -1.73 -3.30 115.31 116.86 1xke h LEU 122 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1xke h LEU 122 Cb 0.05 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1xke h LEU 122 CO 0.00 0.82 -0.48 -0.67 0.09 0.00 0.00 178.44 178.20 1xke n ASP 123 N -4.41 0.73 -4.66 -0.43 2.03 -1.08 -4.99 116.55 103.74 1xke n ASP 123 Ca 0.06 -0.58 -0.32 0.00 0.52 0.00 0.00 54.79 54.47 1xke n ASP 123 Cb 0.13 1.05 -0.09 0.00 -0.72 0.00 0.00 41.12 41.49 1xke n ASP 123 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1xke s ILE 124 N -1.80 3.94 0.74 5.18 -5.25 -1.24 -5.09 121.20 117.68 1xke s ILE 124 Ca 0.02 -0.80 -0.15 0.00 -0.99 0.00 0.00 60.65 58.73 1xke s ILE 124 Cb 0.05 -2.79 0.04 0.00 2.95 0.00 0.00 42.46 42.71 1xke s ILE 124 CO 0.30 0.29 1.20 -2.65 -1.79 0.00 0.00 174.94 172.29 1xke n PRO 125 N 1.14 0.55 -0.01 0.37 -0.02 -1.26 -4.84 135.00 130.93 1xke n PRO 125 Ca -0.13 0.25 -0.11 0.00 -2.02 0.00 0.00 63.50 61.49 1xke n PRO 125 Cb 0.52 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 1xke n PRO 125 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xke h LEU 126 N -0.32 0.12 -8.60 2.45 3.38 -1.96 -3.45 115.31 106.93 1xke h LEU 126 Ca -0.48 -0.12 -0.25 0.00 0.09 0.00 0.00 57.88 57.12 1xke h LEU 126 Cb 1.32 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.89 1xke h LEU 126 CO 0.48 0.21 -0.61 -1.10 0.09 0.00 0.00 178.44 177.51 1xke s GLN 127 N -5.70 1.23 -0.12 1.13 -1.52 -1.26 -5.13 119.66 108.29 1xke s GLN 127 Ca -0.14 -1.64 -0.30 0.00 -1.95 0.00 0.00 55.36 51.34 1xke s GLN 127 Cb 0.06 0.27 -0.01 0.00 -0.22 0.00 0.00 33.01 33.11 1xke s GLN 127 CO 0.68 -0.40 1.10 0.99 -0.25 0.00 0.00 175.29 177.41 1xke s THR 128 N -4.13 4.55 0.11 -0.19 2.01 -1.26 -4.99 115.64 111.74 1xke s THR 128 Ca 0.39 1.84 -0.31 0.00 0.31 0.00 0.00 61.69 63.92 1xke s THR 128 Cb 0.07 -4.19 -0.07 0.00 0.01 0.00 0.00 72.50 68.32 1xke s THR 128 CO 0.13 -0.05 1.32 -2.16 -0.69 0.00 0.00 174.62 173.17 1xke s PRO 129 N 2.47 4.36 0.00 4.92 0.04 -1.26 -5.23 135.00 140.30 1xke s PRO 129 Ca 0.51 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1xke s PRO 129 Cb -0.20 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1xke s PRO 129 CO 0.17 -0.36 0.00 1.17 0.04 0.00 0.00 177.00 178.02