#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9r n GLN 3 N 0.00 0.50 -3.60 5.31 6.02 -1.26 -4.76 117.38 119.59 2x9r n GLN 3 Ca 0.00 -2.08 -0.08 0.00 -0.01 0.00 0.00 57.00 54.83 2x9r n GLN 3 Cb 0.00 1.98 -0.09 0.00 1.02 0.00 0.00 30.24 33.15 2x9r n GLN 3 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2x9r s TYR 4 N -3.44 -0.81 0.00 1.08 1.51 -1.11 -4.84 117.35 109.74 2x9r s TYR 4 Ca 0.22 1.42 0.07 0.00 -1.01 0.00 0.00 57.07 57.76 2x9r s TYR 4 Cb -0.01 0.26 -0.03 0.00 -0.11 0.00 0.00 41.96 42.08 2x9r s TYR 4 CO 0.16 -0.52 -0.20 -0.47 -1.11 0.00 0.00 175.55 173.40 2x9r s TYR 5 N 2.60 2.50 -0.10 2.71 6.14 -1.25 -1.27 117.35 128.68 2x9r s TYR 5 Ca 0.01 -0.30 -0.12 0.00 0.64 0.00 0.00 57.07 57.29 2x9r s TYR 5 Cb -0.13 -1.51 0.03 0.00 0.42 0.00 0.00 41.96 40.78 2x9r s TYR 5 CO -0.13 0.14 0.33 0.20 0.64 0.00 0.00 175.55 176.73 2x9r s GLY 6 N -1.00 -0.23 -0.00 8.97 0.00 -1.04 -3.91 107.32 110.11 2x9r s GLY 6 Ca 0.12 0.81 -0.19 0.00 0.00 0.00 0.00 44.72 45.47 2x9r s GLY 6 CO 0.02 0.67 0.53 -1.59 0.00 0.00 0.00 173.10 172.73 2x9r s THR 7 N -0.16 4.93 -0.21 0.90 2.01 -1.26 -2.07 115.64 119.78 2x9r s THR 7 Ca -0.03 1.12 -0.00 0.00 0.31 0.00 0.00 61.69 63.08 2x9r s THR 7 Cb -0.03 -3.86 0.06 0.00 0.01 0.00 0.00 72.50 68.67 2x9r s THR 7 CO 0.01 0.47 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.54 2x9r s GLY 8 N -0.45 1.12 0.01 4.40 0.00 -0.64 -2.82 107.32 108.94 2x9r s GLY 8 Ca 0.28 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.88 2x9r s GLY 8 CO 0.16 1.02 -0.04 0.50 0.00 0.00 0.00 173.10 174.73 2x9r s ARG 9 N 1.52 0.32 0.00 2.90 0.52 -1.26 0.11 118.95 123.07 2x9r s ARG 9 Ca -0.04 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 2x9r s ARG 9 Cb -0.18 -0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.12 2x9r s ARG 9 CO -0.07 0.04 0.00 0.54 0.02 0.00 0.00 175.30 175.83 2x9r n ARG 10 N 2.35 0.00 -2.84 3.54 5.12 0.37 -4.76 116.66 120.44 2x9r n ARG 10 Ca -0.17 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.71 2x9r n ARG 10 Cb 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.88 2x9r n ARG 10 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2x9r n LYS 11 N 0.00 -1.75 -0.73 5.56 4.81 -1.26 -3.20 118.16 121.60 2x9r n LYS 11 Ca 0.00 1.73 -0.01 0.00 -0.87 0.00 0.00 58.31 59.16 2x9r n LYS 11 Cb 0.00 -5.40 -0.01 0.00 0.02 0.00 0.00 35.03 29.64 2x9r n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2x9r n GLU 12 N -0.96 -1.93 -4.73 1.64 -0.58 -1.26 -4.56 120.64 108.25 2x9r n GLU 12 Ca 0.06 0.37 -0.31 0.00 -0.42 0.00 0.00 57.16 56.86 2x9r n GLU 12 Cb 0.46 -4.22 -0.17 0.00 -0.57 0.00 0.00 31.44 26.95 2x9r n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2x9r s ALA 13 N -0.80 2.11 0.12 0.62 0.00 -1.19 0.18 121.76 122.80 2x9r s ALA 13 Ca 0.00 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.03 2x9r s ALA 13 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 2x9r s ALA 13 CO 0.00 0.03 -0.14 0.08 0.00 0.00 0.00 175.76 175.72 2x9r s VAL 14 N 0.75 1.35 -0.01 0.00 1.01 -1.15 -0.48 120.40 121.89 2x9r s VAL 14 Ca -0.09 -1.70 -0.09 0.00 0.00 0.00 0.00 61.98 60.09 2x9r s VAL 14 Cb -0.16 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.70 2x9r s VAL 14 CO 0.00 -0.39 0.18 0.00 0.00 0.00 0.00 175.10 174.89 2x9r s ALA 15 N -2.07 -0.45 -0.23 5.51 0.00 0.31 0.21 121.76 125.03 2x9r s ALA 15 Ca 0.09 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.02 2x9r s ALA 15 Cb -0.05 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2x9r s ALA 15 CO 0.03 -0.21 0.02 0.50 0.00 0.00 0.00 175.76 176.10 2x9r s ARG 16 N -1.26 3.53 -0.21 0.00 3.52 0.17 -1.62 118.95 123.07 2x9r s ARG 16 Ca -0.13 -0.54 -0.14 0.00 -0.13 0.00 0.00 55.73 54.78 2x9r s ARG 16 Cb -0.07 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 2x9r s ARG 16 CO 0.02 -0.19 0.33 0.08 -0.81 0.00 0.00 175.30 174.73 2x9r s VAL 17 N 1.54 5.25 -0.04 7.11 1.01 -0.88 -1.53 120.40 132.85 2x9r s VAL 17 Ca 0.06 0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 2x9r s VAL 17 Cb -0.15 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.60 2x9r s VAL 17 CO 0.01 0.28 0.01 -0.36 0.00 0.00 0.00 175.10 175.03 2x9r s PHE 18 N 1.25 0.38 0.34 5.22 2.99 -0.76 -2.49 117.98 124.90 2x9r s PHE 18 Ca 0.15 -0.00 0.09 0.00 0.00 0.00 0.00 56.93 57.17 2x9r s PHE 18 Cb -0.14 -0.54 -0.06 0.00 0.00 0.00 0.00 43.02 42.27 2x9r s PHE 18 CO 0.07 -0.20 -0.08 -0.51 -0.00 0.00 0.00 175.22 174.50 2x9r s LEU 19 N 1.48 2.69 -0.30 -0.37 1.43 -0.40 -0.40 118.68 122.82 2x9r s LEU 19 Ca -0.03 -1.21 -0.13 0.00 -1.03 0.00 0.00 54.13 51.74 2x9r s LEU 19 Cb -0.13 -0.93 0.13 0.00 0.03 0.00 0.00 46.19 45.29 2x9r s LEU 19 CO -0.03 -0.24 0.75 -0.13 0.23 0.00 0.00 176.35 176.94 2x9r s ARG 20 N -3.64 0.53 -0.54 1.70 0.52 -1.21 -2.75 118.95 113.57 2x9r s ARG 20 Ca 0.32 1.20 -0.35 0.00 -0.52 0.00 0.00 55.73 56.38 2x9r s ARG 20 Cb 0.03 0.57 -0.15 0.00 0.52 0.00 0.00 34.95 35.93 2x9r s ARG 20 CO 0.16 -0.16 2.32 -2.30 0.02 0.00 0.00 175.30 175.34 2x9r n PRO 21 N 4.98 0.61 0.00 3.54 -0.02 -1.26 0.17 135.00 143.01 2x9r n PRO 21 Ca -0.14 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2x9r n PRO 21 Cb 0.52 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2x9r n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x9r n GLY 22 N 6.67 4.52 0.00 -1.23 0.00 -0.56 -4.75 105.19 109.85 2x9r n GLY 22 Ca 0.49 -1.07 0.09 0.00 0.00 0.00 0.00 46.02 45.53 2x9r n GLY 22 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2x9r n ASN 23 N 0.00 0.00 -0.50 1.61 0.23 -1.26 -4.07 115.26 111.27 2x9r n ASN 23 Ca 0.00 0.12 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 2x9r n ASN 23 Cb 0.00 -0.33 0.00 0.00 -2.08 0.00 0.00 39.78 37.37 2x9r n ASN 23 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x9r n GLY 24 N 0.32 0.63 3.64 4.83 0.00 -0.31 -4.83 105.19 109.47 2x9r n GLY 24 Ca 0.08 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 2x9r n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x9r s LYS 25 N -2.32 2.27 -0.08 1.61 -2.85 -1.26 -4.85 119.74 112.26 2x9r s LYS 25 Ca 0.00 -1.42 -0.03 0.00 -1.00 0.00 0.00 55.97 53.52 2x9r s LYS 25 Cb 0.00 -2.15 0.04 0.00 -2.06 0.00 0.00 37.83 33.66 2x9r s LYS 25 CO 0.00 0.37 0.16 0.08 0.10 0.00 0.00 175.35 176.06 2x9r s VAL 26 N -2.29 -0.15 0.02 1.79 1.01 -1.26 -0.55 120.40 118.97 2x9r s VAL 26 Ca 0.31 0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.62 2x9r s VAL 26 Cb -0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 2x9r s VAL 26 CO 0.20 0.10 -0.25 -0.89 0.00 0.00 0.00 175.10 174.26 2x9r s THR 27 N 1.66 1.99 -0.05 3.92 2.01 -0.92 -1.69 115.64 122.57 2x9r s THR 27 Ca -0.04 -1.25 -0.00 0.00 0.31 0.00 0.00 61.69 60.71 2x9r s THR 27 Cb -0.12 -1.69 0.03 0.00 0.01 0.00 0.00 72.50 70.73 2x9r s THR 27 CO -0.06 0.39 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.57 2x9r s VAL 28 N -0.73 0.30 -1.43 3.82 1.01 0.28 0.45 120.40 124.10 2x9r s VAL 28 Ca 0.10 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.09 2x9r s VAL 28 Cb -0.10 -0.42 0.05 0.00 0.00 0.00 0.00 36.38 35.91 2x9r s VAL 28 CO 0.01 0.21 0.89 0.59 0.00 0.00 0.00 175.10 176.79 2x9r n ASN 29 N 4.57 -3.46 -2.20 3.32 3.02 -0.59 -1.02 115.26 118.89 2x9r n ASN 29 Ca -0.17 -0.78 -0.18 0.00 -0.03 0.00 0.00 54.58 53.42 2x9r n ASN 29 Cb 0.50 -4.04 0.01 0.00 -0.61 0.00 0.00 39.78 35.64 2x9r n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x9r n GLY 30 N -1.67 -0.32 3.11 7.41 0.00 -1.26 -5.00 105.19 107.47 2x9r n GLY 30 Ca -0.10 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 2x9r n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2x9r s GLN 31 N -5.15 0.53 0.31 1.61 0.74 -0.19 -5.15 119.66 112.36 2x9r s GLN 31 Ca 0.12 -0.54 -0.28 0.00 0.05 0.00 0.00 55.36 54.71 2x9r s GLN 31 Cb -0.05 0.21 -0.09 0.00 1.10 0.00 0.00 33.01 34.18 2x9r s GLN 31 CO 0.15 -0.13 1.07 0.34 -0.55 0.00 0.00 175.29 176.16 2x9r s ASP 32 N -1.67 7.15 0.02 6.67 -1.08 -1.26 1.00 116.67 127.49 2x9r s ASP 32 Ca -0.11 2.17 -0.08 0.00 -0.52 0.00 0.00 52.55 54.00 2x9r s ASP 32 Cb -0.05 -2.61 -0.04 0.00 -1.46 0.00 0.00 42.92 38.76 2x9r s ASP 32 CO -0.01 -0.22 1.13 0.15 0.52 0.00 0.00 175.17 176.75 2x9r h PHE 33 N 3.44 -0.35 0.00 -5.34 3.57 -1.68 0.52 116.94 117.11 2x9r h PHE 33 Ca -0.47 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.04 2x9r h PHE 33 Cb 1.21 0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.09 2x9r h PHE 33 CO 0.59 -0.15 0.07 0.09 -2.23 0.00 0.00 178.31 176.67 2x9r n ASN 34 N -3.09 0.00 -0.09 0.41 4.13 -1.26 -2.00 115.26 113.35 2x9r n ASN 34 Ca -0.02 0.20 -0.19 0.00 1.68 0.00 0.00 54.58 56.25 2x9r n ASN 34 Cb 0.10 -0.20 -0.06 0.00 -1.54 0.00 0.00 39.78 38.08 2x9r n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2x9r n GLU 35 N -1.15 0.44 0.25 3.52 2.13 -0.47 -4.08 120.64 121.28 2x9r n GLU 35 Ca 0.00 0.19 0.07 0.00 0.66 0.00 0.00 57.16 58.08 2x9r n GLU 35 Cb 0.07 -1.25 0.61 0.00 0.27 0.00 0.00 31.44 31.14 2x9r n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 2x9r h TYR 36 N -0.77 0.00 -1.81 4.31 3.20 0.39 -2.64 116.97 119.64 2x9r h TYR 36 Ca -0.40 0.00 -0.64 0.00 3.14 0.00 0.00 58.73 60.83 2x9r h TYR 36 Cb 1.29 0.00 -0.38 0.00 1.54 0.00 0.00 36.73 39.18 2x9r h TYR 36 CO -0.14 0.05 -0.26 1.19 -1.64 0.00 0.00 178.16 177.36 2x9r n PHE 37 N -4.45 3.43 -2.94 -3.82 3.01 -0.85 -5.05 117.46 106.78 2x9r n PHE 37 Ca -0.03 -3.11 -0.40 0.00 1.01 0.00 0.00 57.45 54.92 2x9r n PHE 37 Cb 0.13 -0.44 -0.05 0.00 -0.01 0.00 0.00 39.48 39.11 2x9r n PHE 37 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 2x9r s GLN 38 N -3.68 4.57 0.00 -1.08 0.74 -1.00 -3.92 119.66 115.29 2x9r s GLN 38 Ca 0.48 1.17 0.00 0.00 0.05 0.00 0.00 55.36 57.06 2x9r s GLN 38 Cb 0.37 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 31.16 2x9r s GLN 38 CO -0.22 0.41 0.00 0.41 -0.55 0.00 0.00 175.29 175.34 2x9r n GLY 39 N 1.99 3.12 3.19 2.59 0.00 -1.26 -4.95 105.19 109.86 2x9r n GLY 39 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2x9r n GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x9r n LEU 40 N 0.00 5.90 -1.61 0.99 4.77 -1.25 -4.86 117.00 120.94 2x9r n LEU 40 Ca 0.00 -4.63 0.00 0.00 -0.03 0.00 0.00 56.01 51.35 2x9r n LEU 40 Cb 0.00 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.56 2x9r n LEU 40 CO 0.00 1.10 0.07 0.52 -1.33 0.00 0.00 177.39 177.75 2x9r n VAL 41 N 3.73 0.14 -0.00 4.08 0.31 -1.26 0.17 118.33 125.49 2x9r n VAL 41 Ca 0.36 -0.03 -0.00 0.00 -0.01 0.00 0.00 64.34 64.66 2x9r n VAL 41 Cb 0.39 -0.86 -0.00 0.00 -0.91 0.00 0.00 33.84 32.46 2x9r n VAL 41 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2x9r n ARG 42 N 1.59 0.01 -0.31 5.55 0.63 -1.26 -4.76 116.66 118.11 2x9r n ARG 42 Ca 0.00 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 2x9r n ARG 42 Cb 0.04 -0.88 0.23 0.00 0.45 0.00 0.00 32.46 32.31 2x9r n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2x9r n ALA 43 N -2.64 0.40 0.08 5.13 0.00 0.13 -1.14 120.51 122.47 2x9r n ALA 43 Ca -0.01 0.97 0.00 0.00 0.00 0.00 0.00 53.44 54.40 2x9r n ALA 43 Cb 0.51 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2x9r n ALA 43 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2x9r n VAL 44 N -5.35 0.25 -0.05 0.00 0.24 -1.26 -2.19 118.33 109.97 2x9r n VAL 44 Ca 0.20 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 2x9r n VAL 44 Cb 0.64 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 2x9r n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2x9r n ALA 45 N 1.30 2.09 0.55 2.33 0.00 -0.29 -4.51 120.51 121.98 2x9r n ALA 45 Ca 0.00 -0.80 0.12 0.00 0.00 0.00 0.00 53.44 52.76 2x9r n ALA 45 Cb 0.09 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.63 2x9r n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x9r n ALA 46 N -0.31 3.16 0.15 0.00 0.00 -0.93 -3.69 120.51 118.89 2x9r n ALA 46 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 53.44 53.20 2x9r n ALA 46 Cb 0.18 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 18.63 2x9r n ALA 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2x9r h LEU 47 N 0.00 0.00 -1.00 0.00 4.07 -1.82 -3.38 115.31 113.18 2x9r h LEU 47 Ca 0.00 0.00 0.28 0.00 0.08 0.00 0.00 57.88 58.24 2x9r h LEU 47 Cb 0.75 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.35 2x9r h LEU 47 CO 0.00 0.14 0.58 -0.33 -1.08 0.00 0.00 178.44 177.75 2x9r h GLU 48 N 0.00 0.44 0.00 1.13 3.07 -1.83 0.29 114.58 117.67 2x9r h GLU 48 Ca -0.02 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2x9r h GLU 48 Cb 1.12 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 2x9r h GLU 48 CO 0.02 0.29 0.00 -0.35 -1.40 0.00 0.00 179.01 177.56 2x9r n PRO 49 N -4.97 0.04 -0.09 2.33 -0.04 -1.26 -1.49 135.00 129.53 2x9r n PRO 49 Ca 0.29 0.30 -0.08 0.00 -0.04 0.00 0.00 63.50 63.98 2x9r n PRO 49 Cb 0.87 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.68 2x9r n PRO 49 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2x9r n LEU 50 N -1.36 0.00 0.00 1.53 4.77 0.99 -4.26 117.00 118.67 2x9r n LEU 50 Ca 0.02 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.06 2x9r n LEU 50 Cb 0.04 0.43 0.36 0.00 -2.33 0.00 0.00 43.42 41.92 2x9r n LEU 50 CO 0.04 0.43 0.72 0.54 -1.33 0.00 0.00 177.39 177.78 2x9r n ARG 51 N -2.65 0.96 -1.93 3.23 1.74 -0.56 -2.69 116.66 114.76 2x9r n ARG 51 Ca -0.28 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.65 2x9r n ARG 51 Cb 1.07 -1.20 0.05 0.00 -1.02 0.00 0.00 32.46 31.36 2x9r n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2x9r n ALA 52 N -0.70 4.31 0.00 7.54 0.00 -1.18 -4.21 120.51 126.27 2x9r n ALA 52 Ca 0.09 -3.49 0.00 0.00 0.00 0.00 0.00 53.44 50.04 2x9r n ALA 52 Cb 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.06 2x9r n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2x9r n VAL 53 N -0.71 0.00 0.00 0.00 0.24 -1.22 -4.95 118.33 111.70 2x9r n VAL 53 Ca 0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.63 2x9r n VAL 53 Cb 0.91 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2x9r n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2x9r n ASP 54 N -2.07 0.00 -4.54 -1.34 8.00 -1.10 -5.13 116.55 110.37 2x9r n ASP 54 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 2x9r n ASP 54 Cb 0.27 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 2x9r n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x9r s ALA 55 N -1.67 3.00 -0.06 2.24 0.00 -1.12 -4.75 121.76 119.40 2x9r s ALA 55 Ca 0.00 -1.16 0.07 0.00 0.00 0.00 0.00 51.96 50.87 2x9r s ALA 55 Cb 0.00 -3.98 -0.10 0.00 0.00 0.00 0.00 23.12 19.04 2x9r s ALA 55 CO 0.00 -2.73 0.05 -0.11 0.00 0.00 0.00 175.76 172.97 2x9r n LEU 56 N 8.30 0.00 0.00 0.00 0.00 -1.26 -4.07 117.00 119.97 2x9r n LEU 56 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.05 2x9r n LEU 56 Cb 0.48 0.15 0.00 0.00 0.00 0.00 0.00 43.42 44.05 2x9r n LEU 56 CO 0.68 0.15 0.16 0.61 0.00 0.00 0.00 177.39 178.99 2x9r n GLY 57 N 2.46 -1.50 0.27 -3.96 0.00 -1.26 -4.85 105.19 96.35 2x9r n GLY 57 Ca -0.10 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.09 2x9r n GLY 57 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2x9r h ARG 58 N 0.00 0.00 -4.47 1.61 3.08 -1.87 -0.81 114.38 111.92 2x9r h ARG 58 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 2x9r h ARG 58 Cb 0.91 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.66 2x9r h ARG 58 CO 0.00 0.00 -0.77 -0.06 -1.07 0.00 0.00 179.97 178.07 2x9r s PHE 59 N -3.63 0.75 0.49 3.04 0.40 -1.26 -1.49 117.98 116.27 2x9r s PHE 59 Ca 0.02 -0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.10 2x9r s PHE 59 Cb 0.09 -0.53 0.11 0.00 0.51 0.00 0.00 43.02 43.20 2x9r s PHE 59 CO 0.54 -0.06 0.65 -0.25 0.70 0.00 0.00 175.22 176.79 2x9r n ASP 60 N 3.20 -0.03 -3.23 1.36 10.43 0.45 -4.28 116.55 124.45 2x9r n ASP 60 Ca -0.17 -1.22 -0.01 0.00 2.57 0.00 0.00 54.79 55.96 2x9r n ASP 60 Cb 0.55 -0.50 -0.02 0.00 1.84 0.00 0.00 41.12 43.00 2x9r n ASP 60 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2x9r s ALA 61 N -3.94 -2.08 -0.25 2.24 0.00 0.28 -3.30 121.76 114.72 2x9r s ALA 61 Ca 0.37 0.18 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 2x9r s ALA 61 Cb -0.01 -2.60 0.01 0.00 0.00 0.00 0.00 23.12 20.52 2x9r s ALA 61 CO 0.26 -2.14 1.06 -0.47 0.00 0.00 0.00 175.76 174.47 2x9r s TYR 62 N 1.95 3.26 0.06 0.00 5.04 0.47 -2.16 117.35 125.97 2x9r s TYR 62 Ca 0.15 1.38 0.06 0.00 -2.44 0.00 0.00 57.07 56.21 2x9r s TYR 62 Cb -0.07 -3.38 -0.03 0.00 0.35 0.00 0.00 41.96 38.84 2x9r s TYR 62 CO -0.10 -0.63 -0.16 0.42 -1.34 0.00 0.00 175.55 173.75 2x9r s ILE 63 N 3.33 1.23 -0.44 3.14 1.01 0.17 -1.83 121.20 127.82 2x9r s ILE 63 Ca 0.45 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 59.96 2x9r s ILE 63 Cb -0.15 -1.13 0.14 0.00 0.01 0.00 0.00 42.46 41.33 2x9r s ILE 63 CO 0.09 -0.05 0.25 -0.89 0.00 0.00 0.00 174.94 174.34 2x9r s THR 64 N -1.00 1.32 -0.10 2.92 2.01 -0.58 -1.55 115.64 118.66 2x9r s THR 64 Ca 0.02 -2.55 -0.14 0.00 0.31 0.00 0.00 61.69 59.32 2x9r s THR 64 Cb -0.09 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 2x9r s THR 64 CO 0.02 -0.92 0.35 0.54 -0.69 0.00 0.00 174.62 173.92 2x9r s VAL 65 N 0.33 5.22 -0.20 3.82 0.11 -1.26 0.41 120.40 128.84 2x9r s VAL 65 Ca 0.18 0.67 -0.08 0.00 -2.93 0.00 0.00 61.98 59.83 2x9r s VAL 65 Cb -0.22 -3.67 0.08 0.00 -1.53 0.00 0.00 36.38 31.04 2x9r s VAL 65 CO -0.01 0.45 0.44 -0.60 -3.33 0.00 0.00 175.10 172.06 2x9r s ARG 66 N -0.08 0.38 0.00 1.54 3.52 0.56 -4.86 118.95 120.01 2x9r s ARG 66 Ca 0.20 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.80 2x9r s ARG 66 Cb -0.14 0.25 0.00 0.00 -1.56 0.00 0.00 34.95 33.50 2x9r s ARG 66 CO 0.08 -0.22 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 2x9r n GLY 67 N 5.01 2.09 5.60 8.12 0.00 -1.26 -2.92 105.19 121.82 2x9r n GLY 67 Ca -0.14 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.93 2x9r n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x9r n GLY 68 N 1.54 0.43 3.21 -0.02 0.00 0.49 -3.93 105.19 106.92 2x9r n GLY 68 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 2x9r n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x9r s GLY 69 N 0.00 0.96 0.57 -0.02 0.00 -1.26 -4.90 107.32 102.66 2x9r s GLY 69 Ca 0.00 -1.34 0.46 0.00 0.00 0.00 0.00 44.72 43.83 2x9r s GLY 69 CO 0.00 -1.43 1.54 1.70 0.00 0.00 0.00 173.10 174.91 2x9r h LYS 70 N 3.18 0.00 0.00 2.90 1.63 -2.01 0.12 116.57 122.39 2x9r h LYS 70 Ca -0.37 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.32 2x9r h LYS 70 Cb 1.19 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.80 2x9r h LYS 70 CO 0.58 0.00 -1.77 0.45 -3.45 0.00 0.00 179.45 175.26 2x9r n SER 71 N -3.82 1.69 0.26 4.20 2.88 -1.26 -3.84 113.62 113.74 2x9r n SER 71 Ca 0.40 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 58.07 2x9r n SER 71 Cb 1.88 1.30 0.71 0.00 -0.75 0.00 0.00 64.21 67.35 2x9r n SER 71 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2x9r h GLY 72 N 2.64 0.00 0.26 0.46 0.00 -1.11 -2.08 103.07 103.24 2x9r h GLY 72 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 2x9r h GLY 72 CO 0.01 0.00 -0.05 1.46 0.00 0.00 0.00 176.54 177.96 2x9r h GLN 73 N 0.00 -0.13 -0.46 4.80 4.20 -1.51 -2.88 115.11 119.13 2x9r h GLN 73 Ca -0.00 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.85 2x9r h GLN 73 Cb 0.39 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2x9r h GLN 73 CO 0.02 0.38 0.76 0.82 -0.67 0.00 0.00 178.83 180.14 2x9r h ILE 74 N -0.88 0.12 0.00 2.54 2.04 -1.49 0.28 117.51 120.12 2x9r h ILE 74 Ca -0.01 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 2x9r h ILE 74 Cb 0.56 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2x9r h ILE 74 CO 0.02 0.00 -0.54 0.44 0.00 0.00 0.00 178.15 178.07 2x9r h ASP 75 N 0.00 0.00 -0.98 1.72 3.45 -1.44 -3.36 116.42 115.80 2x9r h ASP 75 Ca 0.22 -0.67 0.22 0.00 0.43 0.00 0.00 57.03 57.23 2x9r h ASP 75 Cb 1.74 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 40.42 2x9r h ASP 75 CO -0.00 1.15 0.63 0.00 -1.57 0.00 0.00 179.24 179.44 2x9r h ALA 76 N -0.33 2.03 0.00 3.45 0.00 -0.25 0.39 119.26 124.55 2x9r h ALA 76 Ca -0.14 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2x9r h ALA 76 Cb 1.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2x9r h ALA 76 CO -0.09 -0.38 0.00 -0.89 0.00 0.00 0.00 179.25 177.89 2x9r n ILE 77 N -4.64 0.65 0.00 0.00 5.41 -0.67 -2.07 119.36 118.04 2x9r n ILE 77 Ca 0.23 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.98 2x9r n ILE 77 Cb 0.71 -0.82 0.00 0.00 -0.71 0.00 0.00 39.64 38.82 2x9r n ILE 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2x9r n LYS 78 N 0.37 3.17 -0.07 0.38 4.81 0.14 -4.40 118.16 122.56 2x9r n LYS 78 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 2x9r n LYS 78 Cb 0.40 -0.61 -0.12 0.00 0.02 0.00 0.00 35.03 34.71 2x9r n LYS 78 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2x9r n LEU 79 N -0.66 2.35 -0.07 3.14 -0.00 -0.88 -3.64 117.00 117.24 2x9r n LEU 79 Ca 0.00 0.24 -0.14 0.00 -0.00 0.00 0.00 56.01 56.11 2x9r n LEU 79 Cb 0.00 -1.00 -0.06 0.00 -0.00 0.00 0.00 43.42 42.36 2x9r n LEU 79 CO 0.00 0.65 0.50 1.23 -0.00 0.00 0.00 177.39 179.77 2x9r h GLY 80 N 0.29 0.69 1.87 -3.96 0.00 -1.34 -0.13 103.07 100.49 2x9r h GLY 80 Ca -0.46 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.08 2x9r h GLY 80 CO -0.10 0.71 0.00 1.39 0.00 0.00 0.00 176.54 178.54 2x9r n ILE 81 N -4.26 1.32 0.29 2.60 2.08 -1.26 -0.68 119.36 119.44 2x9r n ILE 81 Ca -0.05 0.33 0.03 0.00 0.56 0.00 0.00 62.75 63.62 2x9r n ILE 81 Cb 0.51 -1.21 -0.01 0.00 -0.75 0.00 0.00 39.64 38.18 2x9r n ILE 81 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2x9r n ALA 82 N -1.43 2.69 -0.02 -1.39 0.00 -1.00 -4.43 120.51 114.93 2x9r n ALA 82 Ca 0.02 -0.31 0.01 0.00 0.00 0.00 0.00 53.44 53.16 2x9r n ALA 82 Cb 0.07 -0.23 -0.13 0.00 0.00 0.00 0.00 19.45 19.17 2x9r n ALA 82 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2x9r n ARG 83 N -0.60 0.65 -0.01 0.00 0.63 0.14 -3.55 116.66 113.92 2x9r n ARG 83 Ca 0.02 0.03 -0.07 0.00 -0.92 0.00 0.00 57.85 56.91 2x9r n ARG 83 Cb 0.12 -1.64 0.11 0.00 0.45 0.00 0.00 32.46 31.50 2x9r n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2x9r h ALA 84 N 1.49 0.86 0.00 5.13 0.00 -1.30 -2.66 119.26 122.78 2x9r h ALA 84 Ca -0.22 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2x9r h ALA 84 Cb 1.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2x9r h ALA 84 CO 0.03 0.64 0.00 1.37 0.00 0.00 0.00 179.25 181.29 2x9r h LEU 85 N 0.48 0.00 0.00 0.00 8.10 -1.78 -1.67 115.31 120.45 2x9r h LEU 85 Ca 0.05 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.91 2x9r h LEU 85 Cb 0.88 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.08 2x9r h LEU 85 CO 0.08 0.00 -0.99 1.62 -4.11 0.00 0.00 178.44 175.03 2x9r h VAL 86 N 0.00 0.58 0.00 0.15 3.04 -1.57 -3.35 116.25 115.09 2x9r h VAL 86 Ca 0.00 -1.96 -0.02 0.00 -1.01 0.00 0.00 66.70 63.71 2x9r h VAL 86 Cb 0.86 2.13 -0.00 0.00 -2.01 0.00 0.00 31.29 32.27 2x9r h VAL 86 CO 0.00 0.33 -0.10 -0.61 -1.01 0.00 0.00 177.57 176.18 2x9r h GLN 87 N 0.00 0.00 -2.09 4.17 4.15 -1.41 -3.32 115.11 116.61 2x9r h GLN 87 Ca -0.08 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.29 2x9r h GLN 87 Cb 1.44 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.11 2x9r h GLN 87 CO 0.05 0.74 -0.06 0.66 -1.93 0.00 0.00 178.83 178.29 2x9r n TYR 88 N -4.64 0.00 0.00 3.99 4.02 -0.63 -4.14 117.16 115.76 2x9r n TYR 88 Ca -0.09 -0.87 0.00 0.00 -0.01 0.00 0.00 57.90 56.93 2x9r n TYR 88 Cb 0.37 -0.74 0.00 0.00 -0.02 0.00 0.00 39.34 38.96 2x9r n TYR 88 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2x9r n ASN 89 N 1.99 0.00 0.24 7.72 2.85 -1.26 -4.95 115.26 121.85 2x9r n ASN 89 Ca 0.11 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.65 2x9r n ASN 89 Cb 0.48 0.00 0.57 0.00 1.24 0.00 0.00 39.78 42.07 2x9r n ASN 89 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2x9r h PRO 90 N 0.00 0.00 -0.47 1.20 0.13 -1.72 -1.22 132.00 129.92 2x9r h PRO 90 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2x9r h PRO 90 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2x9r h PRO 90 CO 0.00 0.14 0.00 -0.25 -0.23 0.00 0.00 178.00 177.66 2x9r n ASP 91 N -4.25 0.62 -1.75 1.44 8.00 -1.26 -3.02 116.55 116.32 2x9r n ASP 91 Ca -0.02 -2.02 0.03 0.00 0.71 0.00 0.00 54.79 53.49 2x9r n ASP 91 Cb 0.21 -0.24 0.35 0.00 -0.02 0.00 0.00 41.12 41.41 2x9r n ASP 91 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2x9r n TYR 92 N -0.22 2.01 0.07 1.24 4.02 -0.46 -4.00 117.16 119.82 2x9r n TYR 92 Ca 0.01 -0.93 0.04 0.00 -0.01 0.00 0.00 57.90 57.01 2x9r n TYR 92 Cb 0.14 -0.54 -0.04 0.00 -0.02 0.00 0.00 39.34 38.88 2x9r n TYR 92 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2x9r h ARG 93 N 3.14 0.00 -2.78 -0.72 9.65 -1.75 -3.37 114.38 118.55 2x9r h ARG 93 Ca 0.09 0.00 -0.67 0.00 -1.10 0.00 0.00 59.98 58.30 2x9r h ARG 93 Cb 2.01 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 30.55 2x9r h ARG 93 CO 0.53 0.20 3.03 0.00 2.80 0.00 0.00 179.97 186.53 2x9r n ALA 94 N -2.31 7.20 0.00 2.80 0.00 -1.26 -2.58 120.51 124.37 2x9r n ALA 94 Ca -0.05 -3.67 0.00 0.00 0.00 0.00 0.00 53.44 49.72 2x9r n ALA 94 Cb 0.73 -3.06 0.00 0.00 0.00 0.00 0.00 19.45 17.12 2x9r n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2x9r n LYS 95 N 2.72 0.00 -0.07 0.00 -0.00 -1.26 -4.96 118.16 114.59 2x9r n LYS 95 Ca 0.70 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.83 2x9r n LYS 95 Cb 0.27 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.18 2x9r n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2x9r h LEU 96 N 0.00 0.05 0.45 -5.58 5.85 -1.71 -3.33 115.31 111.04 2x9r h LEU 96 Ca 0.00 -0.76 -0.01 0.00 0.84 0.00 0.00 57.88 57.95 2x9r h LEU 96 Cb 0.00 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2x9r h LEU 96 CO 0.00 1.30 -0.36 0.50 -0.34 0.00 0.00 178.44 179.55 2x9r h LYS 97 N -0.91 -0.77 0.00 1.25 1.63 -1.84 -2.98 116.57 112.95 2x9r h LYS 97 Ca -0.20 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 2x9r h LYS 97 Cb 1.24 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.04 2x9r h LYS 97 CO -0.09 -0.51 0.00 -2.30 -3.45 0.00 0.00 179.45 173.10 2x9r n PRO 98 N -5.47 0.00 -0.30 1.90 -0.02 -1.26 -4.71 135.00 125.13 2x9r n PRO 98 Ca -0.11 0.13 -0.30 0.00 -2.02 0.00 0.00 63.50 61.20 2x9r n PRO 98 Cb 0.37 -0.74 0.28 0.00 -0.02 0.00 0.00 33.50 33.40 2x9r n PRO 98 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2x9r n LEU 99 N -0.36 -0.81 -4.43 2.45 7.99 -1.25 -4.90 117.00 115.69 2x9r n LEU 99 Ca 0.00 -0.67 -0.44 0.00 -0.01 0.00 0.00 56.01 54.88 2x9r n LEU 99 Cb 0.00 -1.07 -0.03 0.00 -0.11 0.00 0.00 43.42 42.22 2x9r n LEU 99 CO 0.00 -4.25 0.87 -0.83 -1.51 0.00 0.00 177.39 171.67 2x9r s GLY 100 N -2.84 2.00 0.00 -0.72 0.00 -1.26 -4.38 107.32 100.11 2x9r s GLY 100 Ca 0.67 -2.78 0.00 0.00 0.00 0.00 0.00 44.72 42.61 2x9r s GLY 100 CO 0.59 1.89 0.00 0.69 0.00 0.00 0.00 173.10 176.27 2x9r n PHE 101 N 6.24 0.00 0.00 1.90 3.01 -1.24 -5.02 117.46 122.36 2x9r n PHE 101 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.66 2x9r n PHE 101 Cb 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 2x9r n PHE 101 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 2x9r n LEU 102 N -0.53 0.29 -3.20 4.37 0.00 -1.13 -4.81 117.00 111.98 2x9r n LEU 102 Ca 0.00 0.08 -0.34 0.00 0.00 0.00 0.00 56.01 55.75 2x9r n LEU 102 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 2x9r n LEU 102 CO 0.00 0.00 -0.09 0.41 0.00 0.00 0.00 177.39 177.71 2x9r n THR 103 N -0.13 1.22 -1.88 1.96 -1.04 -1.26 -5.03 114.28 108.11 2x9r n THR 103 Ca 0.00 -0.37 -0.37 0.00 -2.04 0.00 0.00 64.05 61.27 2x9r n THR 103 Cb 0.00 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 68.55 2x9r n THR 103 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2x9r s ARG 104 N -0.73 3.05 0.00 -2.82 3.52 -1.26 -5.03 118.95 115.68 2x9r s ARG 104 Ca 0.46 2.05 0.00 0.00 -0.13 0.00 0.00 55.73 58.11 2x9r s ARG 104 Cb -0.63 -2.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 2x9r s ARG 104 CO 0.42 -1.20 0.00 -0.25 -0.81 0.00 0.00 175.30 173.46 2x9r n ASP 105 N -1.28 0.00 -1.91 -2.12 8.00 -1.26 -4.81 116.55 113.18 2x9r n ASP 105 Ca 0.12 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.60 2x9r n ASP 105 Cb 0.47 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.90 2x9r n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x9r n ALA 106 N -3.00 4.31 -2.63 2.24 0.00 -1.26 -4.91 120.51 115.26 2x9r n ALA 106 Ca 0.00 -2.25 -0.41 0.00 0.00 0.00 0.00 53.44 50.78 2x9r n ALA 106 Cb 0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 2x9r n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2x9r s ARG 107 N -2.93 4.13 -0.04 0.00 0.52 -1.26 -5.06 118.95 114.30 2x9r s ARG 107 Ca 0.54 0.64 0.04 0.00 -0.52 0.00 0.00 55.73 56.44 2x9r s ARG 107 Cb 0.43 -3.65 -0.00 0.00 0.52 0.00 0.00 34.95 32.25 2x9r s ARG 107 CO 0.14 -0.43 -0.17 0.14 0.02 0.00 0.00 175.30 175.00 2x9r s VAL 108 N 2.56 1.42 -0.83 3.52 -7.23 -1.26 -4.81 120.40 113.76 2x9r s VAL 108 Ca 0.28 -0.71 -0.23 0.00 -1.81 0.00 0.00 61.98 59.52 2x9r s VAL 108 Cb -0.15 -1.22 -0.20 0.00 0.56 0.00 0.00 36.38 35.37 2x9r s VAL 108 CO 0.08 0.41 2.42 0.52 -0.31 0.00 0.00 175.10 178.22 2x9r n VAL 109 N 3.15 -0.02 -0.66 1.32 0.31 -1.26 -4.85 118.33 116.32 2x9r n VAL 109 Ca -0.18 -0.44 -0.30 0.00 -0.01 0.00 0.00 64.34 63.41 2x9r n VAL 109 Cb 0.53 -1.25 0.19 0.00 -0.91 0.00 0.00 33.84 32.40 2x9r n VAL 109 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2x9r s GLU 110 N 8.28 0.49 0.72 5.55 -1.05 -1.26 -4.97 118.70 126.46 2x9r s GLU 110 Ca 1.16 1.35 -0.16 0.00 -0.15 0.00 0.00 54.97 57.17 2x9r s GLU 110 Cb -0.63 -1.68 0.03 0.00 -0.44 0.00 0.00 34.13 31.41 2x9r s GLU 110 CO 0.36 -2.93 1.24 0.50 0.95 0.00 0.00 175.26 175.39 2x9r s ARG 111 N -4.60 2.17 -0.42 -4.83 3.52 -1.26 -4.99 118.95 108.54 2x9r s ARG 111 Ca 0.67 1.89 -0.17 0.00 -0.13 0.00 0.00 55.73 57.99 2x9r s ARG 111 Cb -0.23 -1.82 0.02 0.00 -1.56 0.00 0.00 34.95 31.36 2x9r s ARG 111 CO 0.60 -1.84 0.41 0.21 -0.81 0.00 0.00 175.30 173.87 2x9r s LYS 112 N -3.75 3.07 0.12 5.12 2.36 -1.26 -4.53 119.74 120.87 2x9r s LYS 112 Ca 0.77 -0.81 -0.26 0.00 -2.55 0.00 0.00 55.97 53.12 2x9r s LYS 112 Cb -0.32 -3.97 -0.07 0.00 -1.05 0.00 0.00 37.83 32.42 2x9r s LYS 112 CO 0.44 -0.83 0.82 0.15 1.55 0.00 0.00 175.35 177.48 2x9r s LYS 113 N 2.05 4.59 1.01 4.03 3.01 -1.26 -4.77 119.74 128.40 2x9r s LYS 113 Ca 0.11 1.21 -0.15 0.00 -1.01 0.00 0.00 55.97 56.13 2x9r s LYS 113 Cb -0.17 -3.32 0.05 0.00 -1.01 0.00 0.00 37.83 33.38 2x9r s LYS 113 CO 0.13 0.40 0.23 2.48 0.51 0.00 0.00 175.35 179.09 2x9r n TYR 114 N 2.25 -1.54 -1.24 3.18 -0.00 -1.26 -2.92 117.16 115.62 2x9r n TYR 114 Ca -0.03 0.20 -0.08 0.00 -0.00 0.00 0.00 57.90 57.99 2x9r n TYR 114 Cb 0.49 -1.70 -0.04 0.00 -0.00 0.00 0.00 39.34 38.10 2x9r n TYR 114 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2x9r n GLY 115 N 1.74 0.98 3.14 -7.48 0.00 -1.26 -4.96 105.19 97.35 2x9r n GLY 115 Ca 0.04 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.66 2x9r n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9r s LYS 116 N -2.48 0.56 0.35 1.61 1.02 -1.15 -4.52 119.74 115.13 2x9r s LYS 116 Ca 0.00 0.89 0.28 0.00 0.02 0.00 0.00 55.97 57.16 2x9r s LYS 116 Cb 0.00 0.45 1.17 0.00 -0.52 0.00 0.00 37.83 38.92 2x9r s LYS 116 CO 0.00 -0.70 1.18 0.72 -0.92 0.00 0.00 175.35 175.62 2x9r n HIS 117 N 5.42 0.41 -2.74 3.18 8.25 -1.13 -2.57 115.22 126.05 2x9r n HIS 117 Ca -0.00 0.41 -0.05 0.00 -0.26 0.00 0.00 57.72 57.83 2x9r n HIS 117 Cb 0.51 -0.81 0.06 0.00 1.12 0.00 0.00 29.99 30.87 2x9r n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2x9r n LYS 118 N -4.03 1.40 0.00 -0.41 5.02 -1.24 -5.00 118.16 113.91 2x9r n LYS 118 Ca 0.31 -3.04 0.00 0.00 -2.02 0.00 0.00 58.31 53.56 2x9r n LYS 118 Cb 1.26 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 2x9r n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x9r n ALA 119 N -0.46 0.00 0.00 7.82 0.00 -1.06 -4.18 120.51 122.63 2x9r n ALA 119 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2x9r n ALA 119 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.27 2x9r n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2x9r n ARG 120 N 0.00 0.00 -1.66 0.00 1.74 -1.26 -4.35 116.66 111.13 2x9r n ARG 120 Ca 0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 2x9r n ARG 120 Cb 0.00 -0.36 -0.06 0.00 -1.02 0.00 0.00 32.46 31.02 2x9r n ARG 120 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2x9r s ARG 121 N -1.14 1.85 0.78 5.56 3.00 -1.26 -4.92 118.95 122.82 2x9r s ARG 121 Ca 0.00 0.49 -0.11 0.00 -1.00 0.00 0.00 55.73 55.12 2x9r s ARG 121 Cb 0.00 -4.79 0.06 0.00 0.00 0.00 0.00 34.95 30.22 2x9r s ARG 121 CO 0.00 -4.07 1.09 0.00 0.00 0.00 0.00 175.30 172.33 2x9r s ALA 122 N 13.51 2.22 0.98 6.12 0.00 -1.26 -2.82 121.76 140.51 2x9r s ALA 122 Ca 0.89 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 2x9r s ALA 122 Cb -0.12 -3.28 0.18 0.00 0.00 0.00 0.00 23.12 19.89 2x9r s ALA 122 CO 0.09 -1.81 1.09 -1.25 0.00 0.00 0.00 175.76 173.88 2x9r s PRO 123 N -4.88 0.54 -0.13 0.00 0.04 -1.26 -4.86 135.00 124.46 2x9r s PRO 123 Ca 0.61 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 2x9r s PRO 123 Cb -0.17 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 2x9r s PRO 123 CO 0.56 -2.79 1.20 -1.14 0.04 0.00 0.00 177.00 174.86 2x9r s GLN 124 N -4.71 4.29 0.29 4.56 0.74 -1.26 -4.99 119.66 118.58 2x9r s GLN 124 Ca 0.66 1.61 -0.29 0.00 0.05 0.00 0.00 55.36 57.39 2x9r s GLN 124 Cb -0.21 -3.66 -0.10 0.00 1.10 0.00 0.00 33.01 30.13 2x9r s GLN 124 CO 0.60 -0.58 1.31 -0.47 -0.55 0.00 0.00 175.29 175.60 2x9r s TYR 125 N 2.92 3.12 -0.02 1.67 6.04 -1.26 -4.96 117.35 124.86 2x9r s TYR 125 Ca 0.53 1.34 -0.05 0.00 0.04 0.00 0.00 57.07 58.93 2x9r s TYR 125 Cb -0.22 -3.66 -0.02 0.00 -1.04 0.00 0.00 41.96 37.02 2x9r s TYR 125 CO 0.16 -1.90 -0.11 0.43 -1.54 0.00 0.00 175.55 172.59 2x9r n SER 126 N 1.41 1.13 0.00 4.32 7.64 -1.26 -5.00 113.62 121.86 2x9r n SER 126 Ca 0.02 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2x9r n SER 126 Cb 0.42 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2x9r n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2x9r n LYS 127 N -3.66 0.00 0.00 1.43 4.81 -1.26 -5.36 118.16 114.11 2x9r n LYS 127 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 2x9r n LYS 127 Cb 0.30 -0.33 0.00 0.00 0.02 0.00 0.00 35.03 35.02 2x9r n LYS 127 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46