#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 5.18 0.00 1.61 0.01 -1.26 -4.58 113.70 114.66 1xke s SER 2 Ca 0.00 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1xke s SER 2 Cb 0.00 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.30 1xke s SER 2 CO 0.00 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1xke n GLY 3 N 4.93 0.70 2.54 3.44 0.00 -1.26 -5.00 105.19 110.54 1xke n GLY 3 Ca -0.16 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 1xke n GLY 3 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xke n GLU 4 N 0.00 3.93 -3.69 1.61 -0.58 -1.26 -4.72 120.64 115.94 1xke n GLU 4 Ca 0.00 -3.30 -0.28 0.00 -0.42 0.00 0.00 57.16 53.15 1xke n GLU 4 Cb 0.00 -2.44 -0.12 0.00 -0.57 0.00 0.00 31.44 28.32 1xke n GLU 4 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1xke s GLU 5 N -1.99 1.62 0.00 3.49 -1.05 -1.26 -4.77 118.70 114.75 1xke s GLU 5 Ca 0.53 -2.55 0.00 0.00 -0.15 0.00 0.00 54.97 52.80 1xke s GLU 5 Cb 0.26 -2.47 0.00 0.00 -0.44 0.00 0.00 34.13 31.48 1xke s GLU 5 CO -0.16 -1.28 0.12 -3.47 0.95 0.00 0.00 175.26 171.42 1xke n ASP 6 N 2.73 0.00 -4.22 0.83 2.03 -1.26 -5.07 116.55 111.58 1xke n ASP 6 Ca 0.19 -1.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.23 1xke n ASP 6 Cb 0.39 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.63 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 0.00 1.64 0.28 -0.67 1.03 -1.26 0.19 118.70 119.91 1xke s GLU 7 Ca 0.00 -0.76 0.08 0.00 0.03 0.00 0.00 54.97 54.32 1xke s GLU 7 Cb 0.00 -1.61 -0.06 0.00 -0.80 0.00 0.00 34.13 31.67 1xke s GLU 7 CO 0.00 0.44 -0.11 -1.59 -1.33 0.00 0.00 175.26 172.67 1xke s LYS 8 N -0.57 1.59 -0.23 -4.83 0.00 -0.55 -4.72 119.74 110.43 1xke s LYS 8 Ca 0.08 -1.77 -0.29 0.00 0.00 0.00 0.00 55.97 53.98 1xke s LYS 8 Cb -0.08 -1.38 0.00 0.00 0.00 0.00 0.00 37.83 36.38 1xke s LYS 8 CO -0.00 0.14 1.13 0.08 0.00 0.00 0.00 175.35 176.70 1xke s VAL 9 N -2.83 4.50 -0.03 1.79 1.01 -1.25 -0.53 120.40 123.06 1xke s VAL 9 Ca 0.29 1.79 -0.01 0.00 0.00 0.00 0.00 61.98 64.05 1xke s VAL 9 Cb 0.01 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 1xke s VAL 9 CO 0.12 -0.23 -0.02 0.25 0.00 0.00 0.00 175.10 175.23 1xke h LEU 10 N 9.73 0.00 -7.94 3.92 6.46 -1.29 -3.49 115.31 122.70 1xke h LEU 10 Ca -0.22 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.38 1xke h LEU 10 Cb 1.08 0.00 -0.21 0.00 -0.73 0.00 0.00 40.66 40.80 1xke h LEU 10 CO 0.99 0.15 -0.66 -0.72 -0.62 0.00 0.00 178.44 177.57 1xke s TYR 11 N -1.20 0.22 -0.09 1.25 1.13 -1.26 -4.99 117.35 112.42 1xke s TYR 11 Ca -0.01 -0.46 0.01 0.00 -1.41 0.00 0.00 57.07 55.19 1xke s TYR 11 Cb 0.00 -0.17 0.02 0.00 -1.10 0.00 0.00 41.96 40.72 1xke s TYR 11 CO 0.02 -0.21 -0.09 -1.54 -2.51 0.00 0.00 175.55 171.22 1xke s SER 12 N -1.46 1.90 0.07 -0.18 1.04 -1.25 -2.00 113.70 111.82 1xke s SER 12 Ca -0.16 -0.29 -0.12 0.00 0.48 0.00 0.00 55.95 55.87 1xke s SER 12 Cb -0.09 -0.80 0.01 0.00 0.10 0.00 0.00 66.02 65.24 1xke s SER 12 CO -0.01 -0.05 0.27 0.00 0.98 0.00 0.00 173.24 174.44 1xke s GLN 13 N 1.18 0.85 -0.17 4.02 -2.07 0.97 -4.91 119.66 119.53 1xke s GLN 13 Ca -0.05 -0.71 -0.29 0.00 -1.82 0.00 0.00 55.36 52.48 1xke s GLN 13 Cb -0.14 0.36 -0.01 0.00 -1.09 0.00 0.00 33.01 32.13 1xke s GLN 13 CO -0.02 -0.28 1.14 0.50 -1.32 0.00 0.00 175.29 175.30 1xke s ARG 14 N -3.23 4.28 0.37 9.60 6.06 -1.26 0.11 118.95 134.88 1xke s ARG 14 Ca -0.00 1.51 0.04 0.00 -2.50 0.00 0.00 55.73 54.78 1xke s ARG 14 Cb 0.02 -3.66 -0.04 0.00 0.06 0.00 0.00 34.95 31.32 1xke s ARG 14 CO -0.08 -0.59 0.09 0.54 -2.50 0.00 0.00 175.30 172.76 1xke s VAL 15 N 3.03 0.91 -0.10 7.11 0.11 0.14 -4.90 120.40 126.70 1xke s VAL 15 Ca 0.50 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.56 1xke s VAL 15 Cb -0.19 -2.57 -0.02 0.00 -1.53 0.00 0.00 36.38 32.07 1xke s VAL 15 CO 0.13 0.00 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.22 1xke s LYS 16 N -3.82 3.07 -0.10 1.54 1.02 -0.97 -1.19 119.74 119.29 1xke s LYS 16 Ca 0.30 -0.69 -0.03 0.00 0.02 0.00 0.00 55.97 55.56 1xke s LYS 16 Cb 0.06 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 1xke s LYS 16 CO 0.14 0.36 0.04 -1.17 -0.92 0.00 0.00 175.35 173.80 1xke s LEU 17 N -0.04 3.78 0.09 3.17 2.96 0.17 -2.27 118.68 126.54 1xke s LEU 17 Ca -0.03 0.22 0.07 0.00 -0.22 0.00 0.00 54.13 54.17 1xke s LEU 17 Cb -0.14 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1xke s LEU 17 CO 0.04 0.38 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.91 1xke s PHE 18 N -0.91 1.54 0.10 5.38 0.40 0.76 0.10 117.98 125.35 1xke s PHE 18 Ca 0.14 -0.43 0.09 0.00 -0.60 0.00 0.00 56.93 56.12 1xke s PHE 18 Cb -0.11 -0.86 -0.03 0.00 0.51 0.00 0.00 43.02 42.52 1xke s PHE 18 CO 0.03 0.14 -0.22 0.50 0.70 0.00 0.00 175.22 176.37 1xke s ARG 19 N -1.81 1.23 -0.34 0.44 3.52 0.20 -2.26 118.95 119.92 1xke s ARG 19 Ca 0.03 -1.16 -0.17 0.00 -0.13 0.00 0.00 55.73 54.30 1xke s ARG 19 Cb -0.10 -1.50 -0.01 0.00 -1.56 0.00 0.00 34.95 31.78 1xke s ARG 19 CO 0.03 0.36 0.46 0.12 -0.81 0.00 0.00 175.30 175.46 1xke s PHE 20 N -1.08 3.19 -0.27 5.12 5.36 -1.19 -0.21 117.98 128.90 1xke s PHE 20 Ca 0.08 0.13 -0.21 0.00 -0.96 0.00 0.00 56.93 55.97 1xke s PHE 20 Cb -0.10 -2.82 -0.01 0.00 -0.34 0.00 0.00 43.02 39.75 1xke s PHE 20 CO 0.04 -0.49 0.65 0.34 -1.46 0.00 0.00 175.22 174.31 1xke s ASP 21 N 1.74 6.57 0.21 6.13 -1.08 0.20 -4.86 116.67 125.58 1xke s ASP 21 Ca 0.16 0.64 -0.04 0.00 -0.52 0.00 0.00 52.55 52.80 1xke s ASP 21 Cb -0.16 -2.35 0.17 0.00 -1.46 0.00 0.00 42.92 39.12 1xke s ASP 21 CO 0.12 -0.43 1.58 0.00 0.52 0.00 0.00 175.17 176.97 1xke h ALA 22 N 7.98 0.81 0.00 3.66 0.00 -1.92 0.48 119.26 130.28 1xke h ALA 22 Ca -0.26 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.18 1xke h ALA 22 Cb 1.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1xke h ALA 22 CO 0.79 0.64 -0.34 0.93 0.00 0.00 0.00 179.25 181.28 1xke h GLU 23 N 0.57 0.00 -0.00 0.00 4.39 -1.95 -2.83 114.58 114.76 1xke h GLU 23 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1xke h GLU 23 Cb 0.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1xke h GLU 23 CO 0.08 0.18 -0.88 0.28 -1.16 0.00 0.00 179.01 177.51 1xke n VAL 24 N -3.09 0.00 -3.03 3.13 0.31 -1.19 -4.93 118.33 109.53 1xke n VAL 24 Ca 0.02 -0.06 -0.19 0.00 -0.01 0.00 0.00 64.34 64.10 1xke n VAL 24 Cb 0.62 1.04 -0.00 0.00 -0.91 0.00 0.00 33.84 34.58 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 -1.27 -3.97 -3.98 4.52 7.64 0.13 -4.94 113.62 111.74 1xke n SER 25 Ca 0.04 -0.19 -0.09 0.00 1.01 0.00 0.00 58.87 59.65 1xke n SER 25 Cb 0.33 -3.31 -0.11 0.00 -1.01 0.00 0.00 64.21 60.12 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 -5.66 0.34 -0.15 1.43 0.74 0.74 -4.85 119.66 112.24 1xke s GLN 26 Ca 0.26 -0.64 -0.29 0.00 0.05 0.00 0.00 55.36 54.73 1xke s GLN 26 Cb -0.14 0.12 -0.02 0.00 1.10 0.00 0.00 33.01 34.07 1xke s GLN 26 CO 0.32 -0.06 1.34 1.67 -0.55 0.00 0.00 175.29 178.01 1xke s TRP 27 N -1.62 2.67 0.02 1.67 1.48 -1.26 0.61 118.94 122.51 1xke s TRP 27 Ca -0.14 0.85 0.01 0.00 -1.06 0.00 0.00 56.10 55.75 1xke s TRP 27 Cb -0.09 -3.59 -0.01 0.00 -1.16 0.00 0.00 33.47 28.62 1xke s TRP 27 CO -0.02 -2.12 -0.03 0.21 -4.06 0.00 0.00 176.95 170.93 1xke s LYS 28 N 3.62 0.29 0.31 3.25 2.47 0.70 -4.95 119.74 125.42 1xke s LYS 28 Ca 0.58 -0.42 -0.29 0.00 -1.56 0.00 0.00 55.97 54.28 1xke s LYS 28 Cb -0.24 -0.07 -0.10 0.00 -1.46 0.00 0.00 37.83 35.96 1xke s LYS 28 CO 0.18 0.01 1.30 -1.83 0.16 0.00 0.00 175.35 175.16 1xke s GLU 29 N -0.91 4.38 -0.21 4.03 -1.05 -1.26 0.60 118.70 124.27 1xke s GLU 29 Ca -0.08 2.17 -0.03 0.00 -0.15 0.00 0.00 54.97 56.88 1xke s GLU 29 Cb -0.06 -3.10 -0.20 0.00 -0.44 0.00 0.00 34.13 30.33 1xke s GLU 29 CO -0.00 -0.18 0.00 -2.13 0.95 0.00 0.00 175.26 173.90 1xke n ARG 30 N 1.15 0.69 -3.21 -4.83 0.63 0.28 -4.71 116.66 106.66 1xke n ARG 30 Ca 0.01 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 1xke n ARG 30 Cb 0.42 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.73 1xke n ARG 30 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xke n GLY 31 N 2.09 -0.77 3.06 5.14 0.00 -0.88 -4.99 105.19 108.83 1xke n GLY 31 Ca -0.41 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 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 1.72 0.00 0.99 1.02 -1.26 0.43 118.68 121.59 1xke s LEU 32 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 54.13 53.95 1xke s LEU 32 Cb 0.00 0.48 0.00 0.00 0.02 0.00 0.00 46.19 46.69 1xke s LEU 32 CO 0.00 -0.29 0.00 0.61 0.02 0.00 0.00 176.35 176.69 1xke n GLY 33 N 1.76 -1.35 3.64 -3.19 0.00 -0.33 -4.59 105.19 101.14 1xke n GLY 33 Ca -0.21 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.23 6.86 -0.24 1.61 2.47 -1.16 0.23 114.94 123.48 1xke s ASN 34 Ca 0.00 1.07 -0.22 0.00 0.42 0.00 0.00 52.86 54.14 1xke s ASN 34 Cb 0.00 -2.45 -0.02 0.00 -1.45 0.00 0.00 41.25 37.34 1xke s ASN 34 CO 0.00 -0.53 0.69 -0.22 -3.72 0.00 0.00 177.10 173.32 1xke s LEU 35 N 2.88 4.08 0.15 3.21 0.20 0.30 -3.42 118.68 126.08 1xke s LEU 35 Ca 0.36 0.84 0.10 0.00 0.69 0.00 0.00 54.13 56.11 1xke s LEU 35 Cb -0.15 -2.97 -0.04 0.00 -0.43 0.00 0.00 46.19 42.60 1xke s LEU 35 CO 0.07 -0.40 -0.22 -1.59 -0.29 0.00 0.00 176.35 173.92 1xke s LYS 36 N 2.51 1.32 -0.17 1.98 -2.85 0.09 -0.02 119.74 122.60 1xke s LYS 36 Ca 0.29 -1.37 -0.04 0.00 -1.00 0.00 0.00 55.97 53.85 1xke s LYS 36 Cb -0.15 -1.56 -0.03 0.00 -2.06 0.00 0.00 37.83 34.03 1xke s LYS 36 CO 0.08 0.34 -0.02 0.42 0.10 0.00 0.00 175.35 176.28 1xke s ILE 37 N -1.60 4.00 -0.14 3.79 -1.09 -0.84 -0.63 121.20 124.70 1xke s ILE 37 Ca 0.14 -0.31 -0.03 0.00 -2.23 0.00 0.00 60.65 58.23 1xke s ILE 37 Cb -0.08 -2.78 -0.03 0.00 -1.58 0.00 0.00 42.46 38.00 1xke s ILE 37 CO 0.07 0.47 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.43 1xke s LEU 38 N 0.56 3.18 -0.18 2.97 1.43 0.59 -0.68 118.68 126.55 1xke s LEU 38 Ca -0.02 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1xke s LEU 38 Cb -0.14 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.35 1xke s LEU 38 CO 0.02 0.20 -0.20 -1.59 0.23 0.00 0.00 176.35 175.02 1xke s LYS 39 N 0.14 2.98 0.44 1.70 -2.85 0.31 -0.17 119.74 122.29 1xke s LYS 39 Ca -0.02 -0.83 -0.25 0.00 -1.00 0.00 0.00 55.97 53.88 1xke s LYS 39 Cb -0.14 -2.56 -0.08 0.00 -2.06 0.00 0.00 37.83 32.99 1xke s LYS 39 CO 0.03 -0.21 1.28 -0.80 0.10 0.00 0.00 175.35 175.76 1xke s ASN 40 N 1.28 6.09 0.48 0.03 -0.87 -1.20 -1.48 114.94 119.27 1xke s ASN 40 Ca 0.05 2.60 0.21 0.00 -1.57 0.00 0.00 52.86 54.15 1xke s ASN 40 Cb -0.13 -2.63 1.22 0.00 -0.02 0.00 0.00 41.25 39.69 1xke s ASN 40 CO -0.13 -1.00 2.02 -0.33 -2.57 0.00 0.00 177.10 175.09 1xke h GLU 41 N 2.31 0.00 0.00 -0.60 4.39 -0.62 0.72 114.58 120.78 1xke h GLU 41 Ca -0.50 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.08 1xke h GLU 41 Cb 1.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 1xke h GLU 41 CO 0.61 0.17 -0.61 0.28 -1.16 0.00 0.00 179.01 178.30 1xke h VAL 42 N 0.00 1.09 -5.98 3.13 2.07 -1.91 -3.47 116.25 111.18 1xke h VAL 42 Ca -0.00 -2.39 -0.41 0.00 0.82 0.00 0.00 66.70 64.72 1xke h VAL 42 Cb 0.37 2.43 0.08 0.00 -1.52 0.00 0.00 31.29 32.65 1xke h VAL 42 CO 0.02 0.59 -0.76 -3.20 0.02 0.00 0.00 177.57 174.25 1xke n ASN 43 N -3.33 -3.71 0.05 0.57 2.85 0.24 -4.91 115.26 107.02 1xke n ASN 43 Ca 0.01 -0.69 -0.21 0.00 -0.11 0.00 0.00 54.58 53.58 1xke n ASN 43 Cb 0.74 -4.52 -0.15 0.00 1.24 0.00 0.00 39.78 37.10 1xke n ASN 43 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1xke h GLY 44 N -2.16 0.35 -3.82 8.20 0.00 -1.91 -3.47 103.07 100.25 1xke h GLY 44 Ca -0.59 -0.89 -0.09 0.00 0.00 0.00 0.00 47.33 45.76 1xke h GLY 44 CO 0.58 0.78 -0.17 1.25 0.00 0.00 0.00 176.54 178.97 1xke s LYS 45 N -2.46 0.86 0.18 4.80 2.47 -1.26 -5.10 119.74 119.22 1xke s LYS 45 Ca -0.15 -0.41 0.10 0.00 -1.56 0.00 0.00 55.97 53.95 1xke s LYS 45 Cb 0.02 0.38 -0.04 0.00 -1.46 0.00 0.00 37.83 36.73 1xke s LYS 45 CO 0.82 -0.28 -0.23 -0.51 0.16 0.00 0.00 175.35 175.31 1xke s LEU 46 N -1.99 2.42 0.05 5.43 2.01 -1.26 -3.22 118.68 122.11 1xke s LEU 46 Ca -0.06 -0.84 -0.00 0.00 0.01 0.00 0.00 54.13 53.23 1xke s LEU 46 Cb -0.01 -1.07 -0.03 0.00 0.01 0.00 0.00 46.19 45.09 1xke s LEU 46 CO -0.02 0.08 -0.03 0.00 1.01 0.00 0.00 176.35 177.38 1xke s ARG 47 N -2.60 0.54 -0.20 1.70 3.03 0.76 -0.49 118.95 121.69 1xke s ARG 47 Ca 0.18 -1.05 -0.02 0.00 2.03 0.00 0.00 55.73 56.87 1xke s ARG 47 Cb -0.08 0.13 -0.00 0.00 -1.03 0.00 0.00 34.95 33.98 1xke s ARG 47 CO 0.08 -0.08 -0.10 -1.64 -1.13 0.00 0.00 175.30 172.43 1xke s MET 48 N -3.17 3.26 0.13 3.89 -1.94 0.23 -0.30 119.30 121.39 1xke s MET 48 Ca 0.01 -0.70 0.09 0.00 -1.71 0.00 0.00 55.69 53.38 1xke s MET 48 Cb 0.02 -2.83 -0.04 0.00 2.01 0.00 0.00 34.83 34.00 1xke s MET 48 CO -0.07 -0.15 -0.22 -0.48 -0.01 0.00 0.00 175.02 174.08 1xke s LEU 49 N 1.29 2.34 -0.09 -0.03 0.05 0.20 -0.04 118.68 122.41 1xke s LEU 49 Ca 0.03 -0.75 0.01 0.00 0.05 0.00 0.00 54.13 53.47 1xke s LEU 49 Cb -0.14 -0.99 0.02 0.00 -2.05 0.00 0.00 46.19 43.03 1xke s LEU 49 CO -0.05 0.08 -0.09 0.00 -0.55 0.00 0.00 176.35 175.74 1xke s MET 50 N -2.17 1.49 0.06 1.48 0.23 -0.95 -0.73 119.30 118.71 1xke s MET 50 Ca 0.11 -0.29 0.06 0.00 -1.03 0.00 0.00 55.69 54.54 1xke s MET 50 Cb -0.09 -1.42 -0.04 0.00 -1.53 0.00 0.00 34.83 31.75 1xke s MET 50 CO 0.06 -0.14 -0.09 0.50 -2.03 0.00 0.00 175.02 173.32 1xke s ARG 51 N 1.24 2.31 -0.27 3.16 3.00 -1.22 0.08 118.95 127.26 1xke s ARG 51 Ca -0.04 -0.90 -0.12 0.00 -1.00 0.00 0.00 55.73 53.67 1xke s ARG 51 Cb -0.14 -2.38 -0.05 0.00 0.00 0.00 0.00 34.95 32.38 1xke s ARG 51 CO -0.03 0.55 0.23 1.03 0.00 0.00 0.00 175.30 177.08 1xke s ARG 52 N -1.86 4.00 0.13 5.12 0.52 -0.80 -2.97 118.95 123.08 1xke s ARG 52 Ca 0.20 -0.21 -0.19 0.00 -0.52 0.00 0.00 55.73 55.00 1xke s ARG 52 Cb -0.11 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.69 1xke s ARG 52 CO 0.11 -0.14 1.77 0.93 0.02 0.00 0.00 175.30 177.99 1xke h GLU 53 N 8.11 0.25 -0.00 3.54 3.07 -1.90 0.65 114.58 128.29 1xke h GLU 53 Ca -0.35 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 1xke h GLU 53 Cb 1.18 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1xke h GLU 53 CO 0.60 0.16 -0.11 1.04 -1.40 0.00 0.00 179.01 179.30 1xke n GLN 54 N -4.98 0.25 0.00 2.33 3.00 -1.26 -3.21 117.38 113.51 1xke n GLN 54 Ca -0.02 -0.06 0.09 0.00 -0.01 0.00 0.00 57.00 57.00 1xke n GLN 54 Cb 0.05 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.79 1xke n GLN 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1xke n VAL 55 N -1.33 0.00 -0.56 5.09 0.31 -0.26 -4.97 118.33 116.62 1xke n VAL 55 Ca 0.10 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1xke n VAL 55 Cb 0.31 1.21 0.00 0.00 -0.91 0.00 0.00 33.84 34.45 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 -0.05 0.56 -3.93 7.52 7.94 0.21 -4.87 117.00 124.38 1xke n LEU 56 Ca 0.07 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.67 1xke n LEU 56 Cb 0.37 -1.61 -0.15 0.00 0.53 0.00 0.00 43.42 42.56 1xke n LEU 56 CO 0.21 -0.56 -0.39 -0.75 -1.11 0.00 0.00 177.39 174.80 1xke s LYS 57 N -1.11 1.45 -0.39 1.96 2.20 -1.15 -4.84 119.74 117.86 1xke s LYS 57 Ca 0.00 -1.23 -0.34 0.00 -0.36 0.00 0.00 55.97 54.03 1xke s LYS 57 Cb 0.00 -2.64 -0.15 0.00 -1.51 0.00 0.00 37.83 33.53 1xke s LYS 57 CO 0.00 -0.75 1.60 1.55 -0.36 0.00 0.00 175.35 177.39 1xke n VAL 58 N 4.59 0.00 -0.05 4.02 3.14 -1.26 -1.91 118.33 126.86 1xke n VAL 58 Ca -0.06 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.18 1xke n VAL 58 Cb 0.43 -0.39 -0.14 0.00 -1.06 0.00 0.00 33.84 32.68 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 -2.55 -0.24 -0.51 0.00 0.00 -1.19 -4.37 121.76 112.91 1xke s ALA 60 Ca -0.15 0.64 -0.08 0.00 0.00 0.00 0.00 51.96 52.37 1xke s ALA 60 Cb 0.07 -0.69 0.13 0.00 0.00 0.00 0.00 23.12 22.64 1xke s ALA 60 CO 0.78 -0.40 0.37 1.21 0.00 0.00 0.00 175.76 177.72 1xke s ASN 61 N 1.84 5.70 -0.22 0.00 2.47 -1.26 -2.25 114.94 121.22 1xke s ASN 61 Ca -0.02 -2.07 -0.10 0.00 0.42 0.00 0.00 52.86 51.09 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 -0.64 0.14 -1.00 -3.72 0.00 0.00 177.10 171.81 1xke s HIS 62 N 1.12 3.33 0.02 0.43 3.76 0.94 -4.09 115.29 120.79 1xke s HIS 62 Ca 0.08 0.21 -0.25 0.00 -0.15 0.00 0.00 55.06 54.95 1xke s HIS 62 Cb -0.24 -2.22 -0.05 0.00 1.11 0.00 0.00 32.58 31.18 1xke s HIS 62 CO -0.02 0.12 0.78 -1.58 -0.85 0.00 0.00 174.74 173.19 1xke s TRP 63 N 0.81 3.69 -0.38 1.40 0.51 -1.26 0.75 118.94 124.47 1xke s TRP 63 Ca 0.07 1.45 -0.16 0.00 -2.12 0.00 0.00 56.10 55.34 1xke s TRP 63 Cb -0.13 -2.85 0.00 0.00 -0.81 0.00 0.00 33.47 29.68 1xke s TRP 63 CO 0.02 0.20 0.40 -1.50 -0.51 0.00 0.00 176.95 175.57 1xke s ILE 64 N 0.24 5.12 0.06 2.03 -1.16 0.36 -4.88 121.20 122.97 1xke s ILE 64 Ca 0.40 -0.10 -0.05 0.00 -0.51 0.00 0.00 60.65 60.39 1xke s ILE 64 Cb -0.20 -3.92 -0.01 0.00 0.61 0.00 0.00 42.46 38.93 1xke s ILE 64 CO 0.22 -0.24 0.10 0.28 -2.81 0.00 0.00 174.94 172.49 1xke s THR 65 N 2.09 0.16 -1.01 4.00 -1.32 -1.26 -4.23 115.64 114.08 1xke s THR 65 Ca 0.12 -1.30 0.24 0.00 -1.21 0.00 0.00 61.69 59.54 1xke s THR 65 Cb -0.17 -1.21 0.20 0.00 -1.51 0.00 0.00 72.50 69.82 1xke s THR 65 CO 0.13 -0.72 1.77 0.41 -2.21 0.00 0.00 174.62 174.00 1xke n THR 66 N 0.32 0.33 1.11 5.08 -1.04 -1.26 -2.46 114.28 116.36 1xke n THR 66 Ca -0.16 0.08 0.14 0.00 -2.04 0.00 0.00 64.05 62.07 1xke n THR 66 Cb 0.60 -0.67 0.59 0.00 -1.82 0.00 0.00 70.33 69.04 1xke n THR 66 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1xke n THR 67 N -1.50 0.00 -4.67 12.58 -1.04 -1.26 -4.72 114.28 113.67 1xke n THR 67 Ca 0.06 -0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.77 1xke n THR 67 Cb 0.28 -0.37 -0.09 0.00 -1.82 0.00 0.00 70.33 68.33 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 -2.88 2.04 -0.03 -2.82 0.00 -1.03 -5.14 119.30 109.45 1xke s MET 68 Ca 0.17 -2.23 -0.01 0.00 0.00 0.00 0.00 55.69 53.63 1xke s MET 68 Cb 0.19 -1.52 0.03 0.00 0.00 0.00 0.00 34.83 33.53 1xke s MET 68 CO 0.54 -0.20 0.04 1.21 0.00 0.00 0.00 175.02 176.61 1xke s ASN 69 N -3.77 0.20 -0.11 1.11 2.47 -1.26 -4.89 114.94 108.69 1xke s ASN 69 Ca 0.22 0.07 -0.20 0.00 0.42 0.00 0.00 52.86 53.37 1xke s ASN 69 Cb 0.06 -0.06 -0.04 0.00 -1.45 0.00 0.00 41.25 39.77 1xke s ASN 69 CO 0.11 -0.15 0.56 -1.48 -3.72 0.00 0.00 177.10 172.43 1xke s LEU 70 N 1.24 4.27 -0.06 3.21 0.05 -1.26 -4.09 118.68 122.05 1xke s LEU 70 Ca -0.07 0.93 0.01 0.00 0.05 0.00 0.00 54.13 55.05 1xke s LEU 70 Cb -0.13 -2.83 0.02 0.00 -2.05 0.00 0.00 46.19 41.20 1xke s LEU 70 CO -0.03 -0.07 -0.08 -0.75 -0.55 0.00 0.00 176.35 174.88 1xke s LYS 71 N 0.83 1.21 0.53 1.48 2.20 0.13 -4.93 119.74 121.18 1xke s LYS 71 Ca 0.30 -0.23 -0.19 0.00 -0.36 0.00 0.00 55.97 55.49 1xke s LYS 71 Cb -0.16 -1.12 -0.06 0.00 -1.51 0.00 0.00 37.83 34.98 1xke s LYS 71 CO 0.13 -0.06 1.09 -1.25 -0.36 0.00 0.00 175.35 174.90 1xke s PRO 72 N 0.91 3.48 0.00 4.03 0.04 -1.26 -0.58 135.00 141.63 1xke s PRO 72 Ca -0.11 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1xke s PRO 72 Cb -0.15 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1xke s PRO 72 CO 0.01 -0.72 0.00 1.28 0.04 0.00 0.00 177.00 177.61 1xke n LEU 73 N -1.29 0.00 -4.72 -3.56 4.77 -0.43 -4.88 117.00 106.89 1xke n LEU 73 Ca 0.11 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.68 1xke n LEU 73 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1xke n LEU 73 CO 0.42 -0.23 0.55 -0.44 -1.33 0.00 0.00 177.39 176.36 1xke s SER 74 N -1.00 7.23 0.00 -1.43 0.01 -1.26 -4.17 113.70 113.08 1xke s SER 74 Ca 0.00 1.48 0.00 0.00 1.31 0.00 0.00 55.95 58.74 1xke s SER 74 Cb 0.00 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1xke s SER 74 CO 0.00 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1xke n GLY 75 N 2.84 1.81 3.60 3.44 0.00 -1.26 -4.87 105.19 110.74 1xke n GLY 75 Ca 0.02 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 1xke n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xke s SER 76 N 0.00 6.40 -0.11 1.61 0.01 -1.26 -4.84 113.70 115.52 1xke s SER 76 Ca 0.00 0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.58 1xke s SER 76 Cb 0.00 -2.28 -0.06 0.00 0.21 0.00 0.00 66.02 63.89 1xke s SER 76 CO 0.00 -0.36 -0.12 0.47 0.41 0.00 0.00 173.24 173.64 1xke n ASP 77 N 5.64 2.03 -0.88 2.44 8.00 -1.26 -1.31 116.55 131.21 1xke n ASP 77 Ca -0.04 0.04 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1xke n ASP 77 Cb 0.49 -0.25 0.24 0.00 -0.02 0.00 0.00 41.12 41.59 1xke n ASP 77 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xke n ARG 78 N -3.14 2.19 -4.45 -1.24 3.00 -1.26 -4.67 116.66 107.08 1xke n ARG 78 Ca -0.20 -1.76 -0.34 0.00 -0.01 0.00 0.00 57.85 55.54 1xke n ARG 78 Cb 0.68 -1.47 -0.11 0.00 0.00 0.00 0.00 32.46 31.55 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 -1.84 3.06 0.18 7.54 0.00 -1.26 -4.15 121.76 125.28 1xke s ALA 79 Ca 0.33 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.49 1xke s ALA 79 Cb 0.21 -1.46 -0.05 0.00 0.00 0.00 0.00 23.12 21.82 1xke s ALA 79 CO 0.31 0.38 -0.05 1.67 0.00 0.00 0.00 175.76 178.07 1xke s TRP 80 N -0.18 1.32 -0.01 0.00 1.48 -1.11 -3.95 118.94 116.49 1xke s TRP 80 Ca 0.03 -0.88 0.04 0.00 -1.06 0.00 0.00 56.10 54.23 1xke s TRP 80 Cb -0.13 -0.73 -0.01 0.00 -1.16 0.00 0.00 33.47 31.44 1xke s TRP 80 CO 0.02 -0.04 -0.13 1.41 -4.06 0.00 0.00 176.95 174.16 1xke s MET 81 N -3.83 1.05 0.04 3.25 1.75 0.26 -1.45 119.30 120.37 1xke s MET 81 Ca 0.22 -0.46 0.02 0.00 -1.25 0.00 0.00 55.69 54.22 1xke s MET 81 Cb 0.04 -1.01 -0.02 0.00 2.84 0.00 0.00 34.83 36.68 1xke s MET 81 CO 0.04 0.27 -0.06 1.67 -0.65 0.00 0.00 175.02 176.28 1xke s TRP 82 N -0.28 0.57 -0.16 4.11 1.48 -0.17 0.18 118.94 124.67 1xke s TRP 82 Ca 0.04 -0.54 -0.02 0.00 -1.06 0.00 0.00 56.10 54.53 1xke s TRP 82 Cb -0.05 -0.35 -0.01 0.00 -1.16 0.00 0.00 33.47 31.90 1xke s TRP 82 CO -0.00 -0.12 -0.10 -0.48 -4.06 0.00 0.00 176.95 172.19 1xke s LEU 83 N -1.65 2.80 0.13 -4.66 2.34 -1.26 -1.19 118.68 115.20 1xke s LEU 83 Ca -0.10 -0.34 -0.09 0.00 0.06 0.00 0.00 54.13 53.66 1xke s LEU 83 Cb -0.09 -1.66 -0.01 0.00 -0.56 0.00 0.00 46.19 43.87 1xke s LEU 83 CO -0.00 0.10 0.24 0.00 -1.06 0.00 0.00 176.35 175.62 1xke s ALA 84 N 0.75 -0.06 -0.51 1.48 0.00 -0.50 -4.83 121.76 118.08 1xke s ALA 84 Ca -0.04 -0.80 -0.24 0.00 0.00 0.00 0.00 51.96 50.88 1xke s ALA 84 Cb -0.15 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.72 1xke s ALA 84 CO 0.02 -0.58 0.89 -1.54 0.00 0.00 0.00 175.76 174.54 1xke s SER 85 N -2.93 6.37 -0.05 0.00 1.04 -1.26 -1.62 113.70 115.26 1xke s SER 85 Ca 0.12 -0.28 0.06 0.00 0.48 0.00 0.00 55.95 56.34 1xke s SER 85 Cb 0.04 -2.42 -0.01 0.00 0.10 0.00 0.00 66.02 63.73 1xke s SER 85 CO -0.04 -1.12 -0.24 1.51 0.98 0.00 0.00 173.24 174.33 1xke s ASP 86 N 2.61 3.19 0.00 7.02 -4.77 0.70 -4.63 116.67 120.78 1xke s ASP 86 Ca 0.30 -0.47 0.00 0.00 -3.30 0.00 0.00 52.55 49.08 1xke s ASP 86 Cb -0.13 -0.78 0.00 0.00 -1.09 0.00 0.00 42.92 40.93 1xke s ASP 86 CO 0.20 0.26 0.00 0.33 0.70 0.00 0.00 175.17 176.67 1xke n PHE 87 N 2.82 0.00 0.04 2.11 -0.00 -1.26 -1.56 117.46 119.61 1xke n PHE 87 Ca -0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.18 1xke n PHE 87 Cb 0.52 0.00 0.03 0.00 -0.00 0.00 0.00 39.48 40.02 1xke n PHE 87 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1xke h SER 88 N 0.00 0.54 -0.00 -2.13 0.87 -1.82 0.34 113.55 111.35 1xke h SER 88 Ca 0.00 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1xke h SER 88 Cb 0.00 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1xke h SER 88 CO 0.00 1.08 -0.51 -0.67 -0.53 0.00 0.00 176.83 176.20 1xke n ASP 89 N -3.87 0.97 0.00 6.23 2.03 -1.26 -4.09 116.55 116.56 1xke n ASP 89 Ca -0.04 -0.98 0.00 0.00 0.52 0.00 0.00 54.79 54.28 1xke n ASP 89 Cb 0.69 0.80 0.00 0.00 -0.72 0.00 0.00 41.12 41.89 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 1.23 -0.29 0.15 0.27 0.00 -1.23 -5.10 105.19 100.20 1xke n GLY 90 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1xke n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xke n ASP 91 N -0.06 -1.43 -4.62 1.61 2.03 0.12 -4.84 116.55 109.36 1xke n ASP 91 Ca 0.00 0.13 -0.43 0.00 0.52 0.00 0.00 54.79 55.01 1xke n ASP 91 Cb 0.15 0.46 -0.02 0.00 -0.72 0.00 0.00 41.12 40.98 1xke n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xke s ALA 92 N -2.72 3.21 -0.04 -1.67 0.00 -1.02 -4.11 121.76 115.42 1xke s ALA 92 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 1xke s ALA 92 Cb 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 1xke s ALA 92 CO 0.00 -2.06 0.08 0.15 0.00 0.00 0.00 175.76 173.93 1xke s LYS 93 N 4.60 3.12 -0.22 0.00 3.01 -0.60 -4.70 119.74 124.95 1xke s LYS 93 Ca 0.62 -0.40 -0.19 0.00 -1.01 0.00 0.00 55.97 54.98 1xke s LYS 93 Cb -0.18 -2.91 -0.03 0.00 -1.01 0.00 0.00 37.83 33.71 1xke s LYS 93 CO 0.28 0.68 0.56 -0.48 0.51 0.00 0.00 175.35 176.90 1xke s LEU 94 N -1.45 4.12 0.11 3.17 2.34 -1.26 -0.22 118.68 125.49 1xke s LEU 94 Ca 0.20 0.70 -0.04 0.00 0.06 0.00 0.00 54.13 55.04 1xke s LEU 94 Cb -0.12 -2.77 -0.03 0.00 -0.56 0.00 0.00 46.19 42.72 1xke s LEU 94 CO 0.10 -0.25 0.11 -1.61 -1.06 0.00 0.00 176.35 173.65 1xke s GLU 95 N 1.94 0.89 -0.22 1.48 2.02 -0.64 -4.94 118.70 119.22 1xke s GLU 95 Ca 0.25 -1.23 0.01 0.00 0.02 0.00 0.00 54.97 54.02 1xke s GLU 95 Cb -0.16 0.28 0.03 0.00 0.10 0.00 0.00 34.13 34.39 1xke s GLU 95 CO 0.10 -0.26 -0.14 -1.14 0.02 0.00 0.00 175.26 173.83 1xke s GLN 96 N -3.96 2.73 0.14 1.61 0.74 -1.26 -1.41 119.66 118.25 1xke s GLN 96 Ca 0.15 -1.02 0.03 0.00 0.05 0.00 0.00 55.36 54.57 1xke s GLN 96 Cb 0.06 -2.77 -0.04 0.00 1.10 0.00 0.00 33.01 31.36 1xke s GLN 96 CO -0.04 -0.36 -0.06 -0.48 -0.55 0.00 0.00 175.29 173.80 1xke s LEU 97 N 1.24 2.41 0.30 3.68 0.05 -0.33 -3.16 118.68 122.86 1xke s LEU 97 Ca -0.00 -1.06 0.10 0.00 0.05 0.00 0.00 54.13 53.22 1xke s LEU 97 Cb -0.16 -0.19 -0.05 0.00 -2.05 0.00 0.00 46.19 43.74 1xke s LEU 97 CO -0.08 -0.44 -0.07 0.00 -0.55 0.00 0.00 176.35 175.21 1xke s ALA 98 N -3.50 3.03 -0.04 1.48 0.00 -0.96 -1.00 121.76 120.77 1xke s ALA 98 Ca 0.18 -1.84 -0.09 0.00 0.00 0.00 0.00 51.96 50.20 1xke s ALA 98 Cb 0.04 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1xke s ALA 98 CO 0.00 0.20 0.21 0.00 0.00 0.00 0.00 175.76 176.17 1xke s ALA 99 N -2.46 -0.51 0.01 0.00 0.00 -0.53 -0.17 121.76 118.10 1xke s ALA 99 Ca 0.32 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.60 1xke s ALA 99 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1xke s ALA 99 CO 0.18 -0.17 -0.03 -1.59 0.00 0.00 0.00 175.76 174.15 1xke s LYS 100 N -0.65 0.24 0.23 0.00 -2.85 -0.96 -2.75 119.74 113.00 1xke s LYS 100 Ca -0.07 -0.32 -0.07 0.00 -1.00 0.00 0.00 55.97 54.51 1xke s LYS 100 Cb -0.04 -0.08 -0.06 0.00 -2.06 0.00 0.00 37.83 35.58 1xke s LYS 100 CO 0.01 0.01 0.52 -0.06 0.10 0.00 0.00 175.35 175.93 1xke s PHE 101 N -0.64 3.45 0.43 1.78 0.40 -1.26 -2.29 117.98 119.85 1xke s PHE 101 Ca -0.06 0.74 0.14 0.00 -0.60 0.00 0.00 56.93 57.15 1xke s PHE 101 Cb -0.05 -2.16 1.03 0.00 0.51 0.00 0.00 43.02 42.36 1xke s PHE 101 CO -0.00 0.27 1.97 0.87 0.70 0.00 0.00 175.22 179.03 1xke h LYS 102 N 2.31 0.40 -4.91 0.44 6.56 -1.97 -3.43 116.57 115.97 1xke h LYS 102 Ca -0.47 -0.02 -0.34 0.00 -1.06 0.00 0.00 60.65 58.76 1xke h LYS 102 Cb 1.18 -0.09 -0.21 0.00 -0.57 0.00 0.00 32.23 32.53 1xke h LYS 102 CO 0.69 0.26 -0.75 -0.08 -2.06 0.00 0.00 179.45 177.51 1xke s THR 103 N -5.39 0.79 -0.95 -0.16 -1.32 -1.26 -5.00 115.64 102.35 1xke s THR 103 Ca -0.08 -1.16 0.00 0.00 -1.21 0.00 0.00 61.69 59.24 1xke s THR 103 Cb 0.20 -0.81 0.00 0.00 -1.51 0.00 0.00 72.50 70.38 1xke s THR 103 CO 0.75 -0.30 0.78 -2.65 -2.21 0.00 0.00 174.62 170.99 1xke n PRO 104 N 1.41 0.00 0.01 7.08 -0.02 -1.26 -0.39 135.00 141.83 1xke n PRO 104 Ca -0.22 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.44 1xke n PRO 104 Cb 0.54 -1.59 -0.10 0.00 -0.02 0.00 0.00 33.50 32.34 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 -0.03 -0.52 4.22 -1.94 0.66 114.58 116.89 1xke h GLU 105 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.38 1xke h GLU 105 Cb 0.17 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1xke h GLU 105 CO 0.00 0.41 -0.24 -0.07 -2.18 0.00 0.00 179.01 176.93 1xke h LEU 106 N -0.59 0.27 -0.56 1.64 3.38 -1.47 -2.71 115.31 115.27 1xke h LEU 106 Ca -0.01 -0.69 -0.04 0.00 0.09 0.00 0.00 57.88 57.23 1xke h LEU 106 Cb 0.51 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1xke h LEU 106 CO 0.01 0.91 0.18 0.00 0.09 0.00 0.00 178.44 179.64 1xke h ALA 107 N 0.36 0.73 -0.26 1.53 0.00 -0.81 -1.60 119.26 119.20 1xke h ALA 107 Ca -0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1xke h ALA 107 Cb 0.92 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1xke h ALA 107 CO 0.05 0.38 -0.25 1.49 0.00 0.00 0.00 179.25 180.92 1xke h GLU 108 N 0.77 0.64 -0.49 0.00 4.81 0.36 0.23 114.58 120.90 1xke h GLU 108 Ca 0.18 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1xke h GLU 108 Cb 0.27 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1xke h GLU 108 CO -0.01 0.93 0.19 0.93 -0.73 0.00 0.00 179.01 180.32 1xke h GLU 109 N 0.36 0.74 -0.10 1.92 4.39 -1.46 -2.51 114.58 117.92 1xke h GLU 109 Ca 0.04 -0.14 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 1xke h GLU 109 Cb 0.81 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1xke h GLU 109 CO 0.06 0.67 -0.43 0.74 -1.16 0.00 0.00 179.01 178.90 1xke h PHE 110 N 0.66 0.27 0.16 4.33 0.04 -1.21 0.36 116.94 121.55 1xke h PHE 110 Ca 0.16 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.87 1xke h PHE 110 Cb 0.21 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 1xke h PHE 110 CO 0.01 0.62 -0.20 -0.22 -0.60 0.00 0.00 178.31 177.92 1xke h LYS 111 N 0.19 -0.40 -0.17 1.51 3.11 -0.13 0.33 116.57 121.00 1xke h LYS 111 Ca 0.02 0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.88 1xke h LYS 111 Cb 0.84 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.15 1xke h LYS 111 CO 0.07 -0.27 0.08 1.96 -2.81 0.00 0.00 179.45 178.48 1xke h GLN 112 N -0.42 0.25 -0.09 1.90 1.08 -1.36 -2.35 115.11 114.12 1xke h GLN 112 Ca 0.01 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 1xke h GLN 112 Cb 0.41 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1xke h GLN 112 CO -0.08 0.28 -0.13 -0.22 -0.95 0.00 0.00 178.83 177.73 1xke h LYS 113 N 0.15 0.14 0.12 1.46 1.63 -0.71 -1.01 116.57 118.35 1xke h LYS 113 Ca 0.06 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1xke h LYS 113 Cb 0.12 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1xke h LYS 113 CO -0.01 0.28 -0.06 0.35 -3.45 0.00 0.00 179.45 176.56 1xke h PHE 114 N 0.13 -0.15 -0.02 1.91 3.57 0.17 0.44 116.94 122.99 1xke h PHE 114 Ca 0.03 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1xke h PHE 114 Cb 0.32 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1xke h PHE 114 CO 0.00 0.33 -0.28 1.05 -2.23 0.00 0.00 178.31 177.18 1xke h GLU 115 N -0.74 0.03 0.26 1.11 4.11 -1.44 -1.88 114.58 116.03 1xke h GLU 115 Ca -0.02 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1xke h GLU 115 Cb 0.54 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1xke h GLU 115 CO 0.03 0.31 -0.18 1.49 0.07 0.00 0.00 179.01 180.73 1xke h GLU 116 N 0.03 -0.42 -0.50 1.06 4.57 -0.96 -2.00 114.58 116.35 1xke h GLU 116 Ca 0.00 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1xke h GLU 116 Cb 0.51 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.17 1xke h GLU 116 CO 0.04 -0.28 0.33 0.00 -1.18 0.00 0.00 179.01 177.92 1xke h GLN 118 N 0.55 -0.07 -0.05 0.00 4.20 -0.60 0.25 115.11 119.39 1xke h GLN 118 Ca 0.20 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 1xke h GLN 118 Cb 0.13 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1xke h GLN 118 CO -0.05 -0.05 -0.21 0.00 -0.67 0.00 0.00 178.83 177.85 1xke h ARG 119 N -0.07 0.23 -0.04 1.46 -0.00 -1.07 -3.37 114.38 111.52 1xke h ARG 119 Ca 0.06 -0.18 -0.12 0.00 -0.50 0.00 0.00 59.98 59.24 1xke h ARG 119 Cb 0.16 0.03 0.01 0.00 0.00 0.00 0.00 29.97 30.18 1xke h ARG 119 CO -0.14 0.82 -0.44 -0.07 0.00 0.00 0.00 179.97 180.14 1xke h LEU 120 N -0.30 0.46 -2.60 3.04 4.07 -0.62 -3.33 115.31 116.02 1xke h LEU 120 Ca -0.01 -0.70 -0.00 0.00 0.08 0.00 0.00 57.88 57.24 1xke h LEU 120 Cb 0.85 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.45 1xke h LEU 120 CO 0.04 1.10 -0.01 0.25 -1.08 0.00 0.00 178.44 178.74 1xke h LEU 121 N -0.14 0.00 -0.33 1.67 5.85 -0.69 -0.44 115.31 121.22 1xke h LEU 121 Ca -0.04 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 1xke h LEU 121 Cb 1.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1xke h LEU 121 CO 0.09 0.01 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.87 1xke h LEU 122 N 0.00 0.81 0.03 2.25 3.38 -1.73 -3.38 115.31 116.68 1xke h LEU 122 Ca -0.00 -0.45 -0.34 0.00 0.09 0.00 0.00 57.88 57.18 1xke h LEU 122 Cb 0.11 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1xke h LEU 122 CO 0.00 1.09 -2.02 -0.67 0.09 0.00 0.00 178.44 176.93 1xke n ASP 123 N -4.24 1.17 -4.77 -0.43 -0.08 -0.20 -4.91 116.55 103.09 1xke n ASP 123 Ca -0.03 0.21 -0.37 0.00 -1.51 0.00 0.00 54.79 53.08 1xke n ASP 123 Cb 0.46 -0.11 -0.01 0.00 2.34 0.00 0.00 41.12 43.80 1xke n ASP 123 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1xke s ILE 124 N -2.56 3.16 0.17 5.18 -5.25 -1.05 -4.96 121.20 115.89 1xke s ILE 124 Ca -0.14 0.90 -0.31 0.00 -0.99 0.00 0.00 60.65 60.11 1xke s ILE 124 Cb 0.07 -3.48 -0.09 0.00 2.95 0.00 0.00 42.46 41.92 1xke s ILE 124 CO 0.78 0.02 1.41 -2.84 -1.79 0.00 0.00 174.94 172.53 1xke s PRO 125 N -2.55 4.31 -1.05 0.37 0.02 -1.26 -4.94 135.00 129.89 1xke s PRO 125 Ca 0.61 2.16 -0.12 0.00 0.02 0.00 0.00 61.00 63.68 1xke s PRO 125 Cb -0.29 -3.19 0.24 0.00 0.02 0.00 0.00 34.50 31.28 1xke s PRO 125 CO 0.36 -0.42 1.09 -1.17 -0.33 0.00 0.00 177.00 176.53 1xke s LEU 126 N 0.53 6.13 -0.26 -5.54 0.20 -1.26 -4.96 118.68 113.51 1xke s LEU 126 Ca 0.63 -3.18 -0.09 0.00 0.69 0.00 0.00 54.13 52.18 1xke s LEU 126 Cb -0.39 -2.26 -0.03 0.00 -0.43 0.00 0.00 46.19 43.08 1xke s LEU 126 CO 0.35 -0.49 0.11 -1.10 -0.29 0.00 0.00 176.35 174.93 1xke s GLN 127 N -0.16 3.73 -0.02 1.98 -1.52 -1.26 -5.08 119.66 117.32 1xke s GLN 127 Ca 0.30 -0.44 0.00 0.00 -1.95 0.00 0.00 55.36 53.27 1xke s GLN 127 Cb -0.08 -3.44 -0.04 0.00 -0.22 0.00 0.00 33.01 29.23 1xke s GLN 127 CO -0.07 -0.20 0.03 0.99 -0.25 0.00 0.00 175.29 175.79 1xke s THR 128 N 1.66 4.37 0.33 -0.19 2.01 -1.26 -5.08 115.64 117.48 1xke s THR 128 Ca 0.06 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.31 1xke s THR 128 Cb -0.15 -2.94 -0.11 0.00 0.01 0.00 0.00 72.50 69.30 1xke s THR 128 CO 0.06 0.42 1.53 -2.16 -0.69 0.00 0.00 174.62 173.78 1xke s PRO 129 N -1.47 4.12 0.00 4.92 0.04 -1.26 -5.31 135.00 136.04 1xke s PRO 129 Ca 0.19 2.56 0.19 0.00 0.04 0.00 0.00 61.00 63.99 1xke s PRO 129 Cb -0.12 -3.00 0.15 0.00 0.04 0.00 0.00 34.50 31.58 1xke s PRO 129 CO 0.10 -0.57 1.11 1.63 0.04 0.00 0.00 177.00 179.30