#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibm s GLN 3 N 0.00 0.69 0.05 5.31 0.74 -1.26 -4.42 119.66 120.76 1ibm s GLN 3 Ca 0.00 -1.10 -0.03 0.00 0.05 0.00 0.00 55.36 54.28 1ibm s GLN 3 Cb 0.00 0.26 -0.02 0.00 1.10 0.00 0.00 33.01 34.34 1ibm s GLN 3 CO 0.00 -0.17 0.04 0.71 -0.55 0.00 0.00 175.29 175.33 1ibm s TYR 4 N -3.80 0.32 0.09 1.67 4.12 0.16 -4.93 117.35 114.98 1ibm s TYR 4 Ca 0.05 -0.73 -0.18 0.00 0.02 0.00 0.00 57.07 56.23 1ibm s TYR 4 Cb 0.06 -0.23 0.04 0.00 -1.52 0.00 0.00 41.96 40.31 1ibm s TYR 4 CO -0.10 -0.37 0.43 -0.47 0.02 0.00 0.00 175.55 175.06 1ibm s TYR 5 N -3.11 -0.26 -0.06 2.71 6.14 -1.26 -0.23 117.35 121.28 1ibm s TYR 5 Ca -0.01 0.09 -0.30 0.00 0.64 0.00 0.00 57.07 57.49 1ibm s TYR 5 Cb 0.02 0.27 0.09 0.00 0.42 0.00 0.00 41.96 42.76 1ibm s TYR 5 CO -0.07 -0.66 0.80 0.20 0.64 0.00 0.00 175.55 176.46 1ibm s GLY 6 N -2.44 -0.47 0.00 8.97 0.00 -1.04 -3.22 107.32 109.13 1ibm s GLY 6 Ca -0.01 1.43 0.00 0.00 0.00 0.00 0.00 44.72 46.14 1ibm s GLY 6 CO -0.08 0.83 0.00 2.41 0.00 0.00 0.00 173.10 176.27 1ibm n THR 7 N 0.59 0.00 0.00 0.90 -1.04 -1.26 -1.43 114.28 112.04 1ibm n THR 7 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1ibm n THR 7 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 1ibm n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ibm n GLY 8 N 4.73 3.00 2.95 3.41 0.00 -1.22 -2.28 105.19 115.77 1ibm n GLY 8 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 1ibm n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibm s ARG 9 N -3.36 0.33 -0.30 1.61 0.52 -1.24 0.01 118.95 116.52 1ibm s ARG 9 Ca 0.00 -0.19 -0.08 0.00 -0.52 0.00 0.00 55.73 54.94 1ibm s ARG 9 Cb 0.00 -0.30 0.16 0.00 0.52 0.00 0.00 34.95 35.33 1ibm s ARG 9 CO 0.00 0.08 0.73 0.50 0.02 0.00 0.00 175.30 176.63 1ibm s ARG 10 N -0.21 0.48 -1.35 3.54 6.06 -0.73 -4.48 118.95 122.27 1ibm s ARG 10 Ca 0.00 1.06 -0.03 0.00 -2.50 0.00 0.00 55.73 54.26 1ibm s ARG 10 Cb -0.02 0.62 0.02 0.00 0.06 0.00 0.00 34.95 35.62 1ibm s ARG 10 CO -0.00 -0.33 0.81 1.17 -2.50 0.00 0.00 175.30 174.45 1ibm n LYS 11 N 5.36 -5.38 -2.53 5.12 4.81 -1.26 -2.83 118.16 121.45 1ibm n LYS 11 Ca -0.07 0.65 -0.07 0.00 -0.87 0.00 0.00 58.31 57.95 1ibm n LYS 11 Cb 0.51 -5.35 0.04 0.00 0.02 0.00 0.00 35.03 30.25 1ibm n LYS 11 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ibm n GLU 12 N -4.38 -2.43 -3.73 1.64 2.13 -1.26 -4.83 120.64 107.77 1ibm n GLU 12 Ca -0.21 0.36 -0.13 0.00 0.66 0.00 0.00 57.16 57.83 1ibm n GLU 12 Cb 0.64 -3.80 -0.13 0.00 0.27 0.00 0.00 31.44 28.42 1ibm n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ibm s ALA 13 N -3.15 -0.49 -0.13 4.31 0.00 -1.13 -2.95 121.76 118.22 1ibm s ALA 13 Ca 0.03 0.92 -0.00 0.00 0.00 0.00 0.00 51.96 52.91 1ibm s ALA 13 Cb -0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1ibm s ALA 13 CO 0.30 -0.21 -0.13 0.08 0.00 0.00 0.00 175.76 175.80 1ibm s VAL 14 N 1.30 3.00 -0.25 0.00 1.01 -0.94 -1.77 120.40 122.76 1ibm s VAL 14 Ca -0.09 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1ibm s VAL 14 Cb -0.11 -2.26 0.07 0.00 0.00 0.00 0.00 36.38 34.08 1ibm s VAL 14 CO -0.08 0.52 -0.03 0.00 0.00 0.00 0.00 175.10 175.51 1ibm s ALA 15 N 0.40 2.03 -0.08 5.51 0.00 0.10 -1.25 121.76 128.47 1ibm s ALA 15 Ca -0.11 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.04 1ibm s ALA 15 Cb -0.16 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 1ibm s ALA 15 CO 0.05 -1.29 1.13 1.03 0.00 0.00 0.00 175.76 176.69 1ibm s ARG 16 N 1.36 4.37 -0.17 0.00 0.52 0.26 -3.46 118.95 121.83 1ibm s ARG 16 Ca -0.03 1.57 0.01 0.00 -0.52 0.00 0.00 55.73 56.77 1ibm s ARG 16 Cb -0.19 -3.56 0.02 0.00 0.52 0.00 0.00 34.95 31.74 1ibm s ARG 16 CO -0.08 -0.42 -0.21 0.08 0.02 0.00 0.00 175.30 174.69 1ibm s VAL 17 N 2.23 2.06 -0.24 3.52 1.01 -0.52 -1.18 120.40 127.27 1ibm s VAL 17 Ca 0.53 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1ibm s VAL 17 Cb -0.22 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.36 1ibm s VAL 17 CO 0.20 0.54 -0.11 -0.36 0.00 0.00 0.00 175.10 175.37 1ibm s PHE 18 N 1.15 3.11 -0.01 5.22 2.99 -0.39 -2.48 117.98 127.57 1ibm s PHE 18 Ca 0.01 -1.94 -0.03 0.00 0.00 0.00 0.00 56.93 54.97 1ibm s PHE 18 Cb -0.14 -1.98 -0.04 0.00 0.00 0.00 0.00 43.02 40.86 1ibm s PHE 18 CO -0.10 -0.82 0.20 -0.51 -0.00 0.00 0.00 175.22 173.99 1ibm s LEU 19 N 1.21 4.37 -0.13 -0.37 1.43 0.68 -1.06 118.68 124.81 1ibm s LEU 19 Ca -0.03 0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 53.32 1ibm s LEU 19 Cb -0.18 -2.61 0.03 0.00 0.03 0.00 0.00 46.19 43.47 1ibm s LEU 19 CO -0.06 0.26 0.36 -0.13 0.23 0.00 0.00 176.35 177.01 1ibm s ARG 20 N -1.88 0.44 0.25 1.70 0.52 -0.04 -0.67 118.95 119.27 1ibm s ARG 20 Ca 0.27 0.46 -0.31 0.00 -0.52 0.00 0.00 55.73 55.63 1ibm s ARG 20 Cb -0.13 0.21 -0.11 0.00 0.52 0.00 0.00 34.95 35.44 1ibm s ARG 20 CO 0.18 -0.06 1.64 -2.14 0.02 0.00 0.00 175.30 174.93 1ibm s PRO 21 N 0.09 4.13 0.00 3.54 0.02 -1.26 -1.79 135.00 139.73 1ibm s PRO 21 Ca -0.01 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1ibm s PRO 21 Cb -0.03 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1ibm s PRO 21 CO 0.01 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 1ibm n GLY 22 N 2.98 -0.64 0.00 0.52 0.00 0.37 -4.84 105.19 103.58 1ibm n GLY 22 Ca 0.11 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1ibm n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ibm n ASN 23 N 0.06 0.00 0.00 1.61 4.05 -1.17 -3.71 115.26 116.09 1ibm n ASN 23 Ca 0.00 0.99 0.00 0.00 0.45 0.00 0.00 54.58 56.02 1ibm n ASN 23 Cb 0.00 -0.49 0.00 0.00 1.23 0.00 0.00 39.78 40.52 1ibm n ASN 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ibm n GLY 24 N -1.00 -0.05 3.85 8.20 0.00 -0.79 -3.78 105.19 111.63 1ibm n GLY 24 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ibm n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ibm s LYS 25 N 0.00 3.94 -0.12 1.61 -2.85 -1.26 -4.81 119.74 116.24 1ibm s LYS 25 Ca 0.00 0.45 0.00 0.00 -1.00 0.00 0.00 55.97 55.43 1ibm s LYS 25 Cb 0.00 -2.81 0.02 0.00 -2.06 0.00 0.00 37.83 32.98 1ibm s LYS 25 CO 0.00 0.40 -0.11 0.08 0.10 0.00 0.00 175.35 175.82 1ibm s VAL 26 N -1.61 1.26 0.12 1.79 1.01 -1.26 -2.10 120.40 119.61 1ibm s VAL 26 Ca 0.42 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.84 1ibm s VAL 26 Cb -0.14 -1.21 -0.06 0.00 0.00 0.00 0.00 36.38 34.97 1ibm s VAL 26 CO 0.20 0.40 0.45 -0.89 0.00 0.00 0.00 175.10 175.26 1ibm s THR 27 N 1.43 5.03 -0.35 3.92 2.01 -0.41 -1.23 115.64 126.04 1ibm s THR 27 Ca 0.01 0.50 -0.01 0.00 0.31 0.00 0.00 61.69 62.50 1ibm s THR 27 Cb -0.13 -3.66 0.12 0.00 0.01 0.00 0.00 72.50 68.84 1ibm s THR 27 CO -0.07 0.21 0.18 -0.69 -0.69 0.00 0.00 174.62 173.56 1ibm s VAL 28 N -1.49 0.53 -1.88 3.82 1.01 -1.05 -0.64 120.40 120.71 1ibm s VAL 28 Ca 0.36 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.72 1ibm s VAL 28 Cb -0.14 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1ibm s VAL 28 CO 0.19 -0.85 0.00 0.59 0.00 0.00 0.00 175.10 175.03 1ibm n ASN 29 N 4.36 -5.01 0.00 3.32 5.03 0.11 -3.84 115.26 119.23 1ibm n ASN 29 Ca 0.04 0.36 0.00 0.00 0.87 0.00 0.00 54.58 55.86 1ibm n ASN 29 Cb 0.39 -4.40 0.00 0.00 -1.02 0.00 0.00 39.78 34.74 1ibm n ASN 29 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ibm n GLY 30 N -0.49 1.00 0.00 7.41 0.00 -1.26 -5.08 105.19 106.77 1ibm n GLY 30 Ca -0.19 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1ibm n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ibm n GLN 31 N 0.00 0.00 -1.61 1.61 6.02 -1.25 -4.70 117.38 117.45 1ibm n GLN 31 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 1ibm n GLN 31 Cb 0.00 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.30 1ibm n GLN 31 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1ibm n ASP 32 N 0.00 0.91 -0.27 1.08 2.03 -1.26 -2.52 116.55 116.52 1ibm n ASP 32 Ca 0.00 0.89 -0.12 0.00 0.52 0.00 0.00 54.79 56.08 1ibm n ASP 32 Cb 0.00 -1.37 -0.09 0.00 -0.72 0.00 0.00 41.12 38.94 1ibm n ASP 32 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1ibm h PHE 33 N 0.89 -1.73 0.00 -0.67 3.57 -1.45 1.41 116.94 118.96 1ibm h PHE 33 Ca -0.47 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1ibm h PHE 33 Cb 1.35 0.85 0.00 0.00 2.79 0.00 0.00 35.95 40.94 1ibm h PHE 33 CO 0.39 -0.43 0.00 0.09 -2.23 0.00 0.00 178.31 176.13 1ibm n ASN 34 N -5.33 0.24 0.00 0.41 3.02 -1.26 -1.79 115.26 110.54 1ibm n ASN 34 Ca -0.00 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 1ibm n ASN 34 Cb 0.31 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1ibm n ASN 34 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1ibm n GLU 35 N 0.10 0.10 -0.15 3.52 4.07 0.45 -4.68 120.64 124.05 1ibm n GLU 35 Ca 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.02 1ibm n GLU 35 Cb 0.06 -0.86 0.06 0.00 -0.06 0.00 0.00 31.44 30.64 1ibm n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 1ibm h TYR 36 N 0.00 1.02 -2.59 4.31 3.20 0.20 -3.11 116.97 120.00 1ibm h TYR 36 Ca 0.00 -0.20 -0.79 0.00 3.14 0.00 0.00 58.73 60.87 1ibm h TYR 36 Cb 0.72 -0.26 -0.29 0.00 1.54 0.00 0.00 36.73 38.44 1ibm h TYR 36 CO 0.00 0.97 0.80 1.19 -1.64 0.00 0.00 178.16 179.48 1ibm n PHE 37 N -4.15 2.56 -1.86 -3.82 0.99 -0.98 -5.00 117.46 105.20 1ibm n PHE 37 Ca 0.01 -2.67 -0.42 0.00 -0.00 0.00 0.00 57.45 54.38 1ibm n PHE 37 Cb 0.39 -1.18 -0.03 0.00 -1.00 0.00 0.00 39.48 37.67 1ibm n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 1ibm s GLN 38 N -3.47 3.12 -0.96 -1.08 -0.44 -1.18 -3.71 119.66 111.94 1ibm s GLN 38 Ca 0.35 1.51 -0.10 0.00 -2.50 0.00 0.00 55.36 54.63 1ibm s GLN 38 Cb 0.12 -4.29 -0.01 0.00 -1.64 0.00 0.00 33.01 27.19 1ibm s GLN 38 CO -0.00 -2.12 0.75 0.41 0.50 0.00 0.00 175.29 174.82 1ibm n GLY 39 N 5.59 -1.14 2.51 2.59 0.00 -1.26 -4.98 105.19 108.49 1ibm n GLY 39 Ca 0.26 0.50 -0.29 0.00 0.00 0.00 0.00 46.02 46.49 1ibm n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ibm s LEU 40 N -5.40 1.55 0.00 0.99 1.43 -1.24 -5.08 118.68 110.93 1ibm s LEU 40 Ca 0.25 -2.53 0.00 0.00 -1.03 0.00 0.00 54.13 50.83 1ibm s LEU 40 Cb -0.08 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.56 1ibm s LEU 40 CO 0.83 -0.26 0.00 0.52 0.23 0.00 0.00 176.35 177.66 1ibm n VAL 41 N 3.60 0.00 0.00 -1.59 0.31 -1.26 -1.56 118.33 117.83 1ibm n VAL 41 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1ibm n VAL 41 Cb 0.39 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 1ibm n VAL 41 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ibm n ARG 42 N -0.12 0.00 0.00 5.55 5.12 -1.26 -2.75 116.66 123.20 1ibm n ARG 42 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ibm n ARG 42 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1ibm n ARG 42 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ibm n ALA 43 N -2.95 0.00 -0.15 7.54 0.00 -0.60 0.21 120.51 124.55 1ibm n ALA 43 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1ibm n ALA 43 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1ibm n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ibm n VAL 44 N -1.76 -0.18 -0.01 0.00 0.31 -1.11 -0.44 118.33 115.14 1ibm n VAL 44 Ca 0.00 0.95 -0.00 0.00 -0.01 0.00 0.00 64.34 65.28 1ibm n VAL 44 Cb 0.00 -1.34 -0.00 0.00 -0.91 0.00 0.00 33.84 31.59 1ibm n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ibm n ALA 45 N -3.70 -0.01 0.00 3.52 0.00 0.55 -2.26 120.51 118.61 1ibm n ALA 45 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1ibm n ALA 45 Cb 0.25 0.33 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1ibm n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibm n ALA 46 N -2.69 0.00 1.64 0.00 0.00 0.42 0.22 120.51 120.11 1ibm n ALA 46 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1ibm n ALA 46 Cb 0.00 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.26 1ibm n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ibm n LEU 47 N -3.89 0.00 -0.25 0.00 4.77 -0.96 -3.90 117.00 112.77 1ibm n LEU 47 Ca 0.00 0.11 0.19 0.00 -0.03 0.00 0.00 56.01 56.28 1ibm n LEU 47 Cb 0.00 -0.11 0.50 0.00 -2.33 0.00 0.00 43.42 41.48 1ibm n LEU 47 CO 0.00 -0.01 1.22 -0.08 -1.33 0.00 0.00 177.39 177.19 1ibm h GLU 48 N 0.00 0.41 -0.77 3.23 4.57 0.26 0.18 114.58 122.46 1ibm h GLU 48 Ca 0.00 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1ibm h GLU 48 Cb 0.10 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.55 1ibm h GLU 48 CO 0.00 0.27 0.50 -1.00 -1.18 0.00 0.00 179.01 177.61 1ibm h PRO 49 N 0.42 0.83 0.32 0.92 0.13 -1.79 -0.43 132.00 132.41 1ibm h PRO 49 Ca 0.48 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.54 1ibm h PRO 49 Cb 1.16 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1ibm h PRO 49 CO -0.19 0.55 -0.15 -0.07 -0.23 0.00 0.00 178.00 177.91 1ibm h LEU 50 N 0.86 -0.36 -1.93 1.56 3.38 -0.97 -2.78 115.31 115.07 1ibm h LEU 50 Ca 0.32 0.01 0.47 0.00 0.09 0.00 0.00 57.88 58.77 1ibm h LEU 50 Cb 0.18 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1ibm h LEU 50 CO -0.11 -0.23 1.20 0.03 0.09 0.00 0.00 178.44 179.42 1ibm h ARG 51 N -0.48 0.00 0.00 1.13 3.08 -1.23 1.24 114.38 118.12 1ibm h ARG 51 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1ibm h ARG 51 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1ibm h ARG 51 CO 0.07 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.97 1ibm n ALA 52 N -2.81 1.79 -2.65 0.04 0.00 -0.19 -3.38 120.51 113.30 1ibm n ALA 52 Ca 0.36 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.75 1ibm n ALA 52 Cb 1.69 -1.26 0.04 0.00 0.00 0.00 0.00 19.45 19.92 1ibm n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ibm n VAL 53 N -1.41 0.62 -0.40 0.00 0.24 0.42 -4.98 118.33 112.82 1ibm n VAL 53 Ca 0.05 -1.90 0.00 0.00 -2.04 0.00 0.00 64.34 60.46 1ibm n VAL 53 Cb 0.16 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 1ibm n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1ibm n ASP 54 N -0.14 0.00 -3.80 -1.34 8.00 -1.18 -4.92 116.55 113.18 1ibm n ASP 54 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1ibm n ASP 54 Cb 0.95 -2.19 0.00 0.00 -0.02 0.00 0.00 41.12 39.86 1ibm n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ibm n ALA 55 N 0.99 0.00 -0.14 2.24 0.00 -1.17 -4.24 120.51 118.20 1ibm n ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ibm n ALA 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ibm n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ibm n LEU 56 N 0.00 0.00 -2.46 0.00 0.00 -1.26 -4.35 117.00 108.93 1ibm n LEU 56 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 56.01 55.85 1ibm n LEU 56 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 1ibm n LEU 56 CO 0.00 0.00 1.88 0.61 0.00 0.00 0.00 177.39 179.88 1ibm n GLY 57 N 0.00 2.96 1.73 -3.96 0.00 -1.26 -2.61 105.19 102.04 1ibm n GLY 57 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1ibm n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ibm n ARG 58 N 2.99 0.00 0.00 1.61 5.12 -1.25 -5.04 116.66 120.10 1ibm n ARG 58 Ca 0.44 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 1ibm n ARG 58 Cb 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 1ibm n ARG 58 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1ibm n PHE 59 N -2.65 0.00 0.00 -1.55 3.01 -1.07 -0.48 117.46 114.71 1ibm n PHE 59 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1ibm n PHE 59 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1ibm n PHE 59 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ibm n ASP 60 N 0.00 0.00 -3.84 4.37 -0.08 -0.74 -1.89 116.55 114.38 1ibm n ASP 60 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 1ibm n ASP 60 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 1ibm n ASP 60 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ibm s ALA 61 N -1.83 -0.43 -0.20 -1.67 0.00 -0.89 -0.86 121.76 115.88 1ibm s ALA 61 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.02 1ibm s ALA 61 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 1ibm s ALA 61 CO 0.00 -0.19 0.00 -0.47 0.00 0.00 0.00 175.76 175.11 1ibm s TYR 62 N -0.99 3.04 -0.05 0.00 5.04 -0.23 -1.29 117.35 122.86 1ibm s TYR 62 Ca -0.11 -0.48 0.03 0.00 -2.44 0.00 0.00 57.07 54.08 1ibm s TYR 62 Cb -0.06 -2.09 0.00 0.00 0.35 0.00 0.00 41.96 40.16 1ibm s TYR 62 CO 0.02 -0.26 -0.16 0.42 -1.34 0.00 0.00 175.55 174.23 1ibm s ILE 63 N 1.05 1.35 -0.30 3.14 1.01 0.19 -1.26 121.20 126.38 1ibm s ILE 63 Ca 0.02 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1ibm s ILE 63 Cb -0.14 -1.18 0.06 0.00 0.01 0.00 0.00 42.46 41.21 1ibm s ILE 63 CO 0.02 0.40 -0.02 -0.89 0.00 0.00 0.00 174.94 174.44 1ibm s THR 64 N 0.28 2.62 -0.19 2.92 2.01 -0.32 0.07 115.64 123.02 1ibm s THR 64 Ca -0.09 -1.64 -0.01 0.00 0.31 0.00 0.00 61.69 60.26 1ibm s THR 64 Cb -0.13 -2.59 0.00 0.00 0.01 0.00 0.00 72.50 69.79 1ibm s THR 64 CO 0.03 -0.18 -0.12 -0.69 -0.69 0.00 0.00 174.62 172.97 1ibm s VAL 65 N 1.15 2.75 -0.03 3.82 1.01 -1.26 0.93 120.40 128.76 1ibm s VAL 65 Ca -0.04 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1ibm s VAL 65 Cb -0.20 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1ibm s VAL 65 CO -0.04 0.48 -0.08 -0.60 0.00 0.00 0.00 175.10 174.87 1ibm s ARG 66 N 1.30 0.91 0.00 2.72 3.52 -0.38 -4.96 118.95 122.05 1ibm s ARG 66 Ca 0.04 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 1ibm s ARG 66 Cb -0.14 -0.85 0.00 0.00 -1.56 0.00 0.00 34.95 32.40 1ibm s ARG 66 CO -0.07 0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.92 1ibm n GLY 67 N 3.38 -0.55 0.00 8.12 0.00 -1.26 -2.21 105.19 112.67 1ibm n GLY 67 Ca -0.19 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1ibm n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibm n GLY 68 N 1.41 0.61 3.16 -0.02 0.00 -1.15 -3.96 105.19 105.24 1ibm n GLY 68 Ca 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 1ibm n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ibm s GLY 69 N 0.00 -0.10 0.08 -0.02 0.00 -1.26 -5.04 107.32 100.98 1ibm s GLY 69 Ca 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 44.72 44.97 1ibm s GLY 69 CO 0.00 0.16 0.57 0.28 0.00 0.00 0.00 173.10 174.12 1ibm n LYS 70 N 1.90 -0.09 0.00 2.90 4.76 -1.26 0.46 118.16 126.84 1ibm n LYS 70 Ca -0.19 0.57 -0.11 0.00 -2.87 0.00 0.00 58.31 55.71 1ibm n LYS 70 Cb 0.57 -0.84 -0.05 0.00 -1.84 0.00 0.00 35.03 32.86 1ibm n LYS 70 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ibm h SER 71 N 0.00 0.02 -0.30 4.39 0.87 -1.98 0.85 113.55 117.40 1ibm h SER 71 Ca 0.13 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.74 1ibm h SER 71 Cb 0.22 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 1ibm h SER 71 CO -0.37 0.03 0.05 1.23 -0.53 0.00 0.00 176.83 177.24 1ibm h GLY 72 N 0.07 0.33 0.52 5.77 0.00 -0.31 -1.79 103.07 107.67 1ibm h GLY 72 Ca 0.04 -0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.38 1ibm h GLY 72 CO -0.04 -0.02 -0.24 1.46 0.00 0.00 0.00 176.54 177.69 1ibm h GLN 73 N 0.16 -0.40 -1.01 4.80 4.20 -1.14 0.26 115.11 121.97 1ibm h GLN 73 Ca 0.14 0.03 0.29 0.00 0.06 0.00 0.00 58.65 59.17 1ibm h GLN 73 Cb 0.15 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 1ibm h GLN 73 CO -0.19 -0.27 0.92 0.82 -0.67 0.00 0.00 178.83 179.44 1ibm h ILE 74 N -0.41 0.22 0.03 2.54 2.04 0.00 0.17 117.51 122.10 1ibm h ILE 74 Ca 0.04 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.57 1ibm h ILE 74 Cb 0.46 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 1ibm h ILE 74 CO -0.17 0.00 -2.01 -0.67 0.00 0.00 0.00 178.15 175.30 1ibm n ASP 75 N -3.72 1.09 -0.04 1.72 -0.08 -0.09 -3.54 116.55 111.89 1ibm n ASP 75 Ca 0.22 0.22 -0.11 0.00 -1.51 0.00 0.00 54.79 53.61 1ibm n ASP 75 Cb 1.25 -0.05 -0.05 0.00 2.34 0.00 0.00 41.12 44.61 1ibm n ASP 75 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ibm h ALA 76 N 0.68 0.21 -0.28 -1.67 0.00 0.91 -1.63 119.26 117.48 1ibm h ALA 76 Ca -0.41 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.47 1ibm h ALA 76 Cb 2.06 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.71 1ibm h ALA 76 CO 0.05 -0.21 -0.42 0.82 0.00 0.00 0.00 179.25 179.49 1ibm h ILE 77 N 0.12 0.13 -0.93 0.00 2.04 -1.30 0.54 117.51 118.11 1ibm h ILE 77 Ca 0.05 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.14 1ibm h ILE 77 Cb 0.15 0.13 -0.07 0.00 -0.74 0.00 0.00 36.82 36.30 1ibm h ILE 77 CO -0.01 0.00 0.62 0.50 0.00 0.00 0.00 178.15 179.27 1ibm h LYS 78 N -0.40 0.35 0.48 2.37 3.64 -1.52 0.27 116.57 121.76 1ibm h LYS 78 Ca 0.11 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1ibm h LYS 78 Cb 0.60 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1ibm h LYS 78 CO -0.49 0.23 -0.23 1.25 -2.27 0.00 0.00 179.45 177.94 1ibm h LEU 79 N 0.36 -0.54 -0.10 5.20 7.12 0.89 -2.23 115.31 126.00 1ibm h LEU 79 Ca 0.49 -0.08 0.04 0.00 0.13 0.00 0.00 57.88 58.46 1ibm h LEU 79 Cb 1.31 0.14 -0.06 0.00 -0.53 0.00 0.00 40.66 41.52 1ibm h LEU 79 CO -0.18 -0.18 -0.29 1.23 -0.13 0.00 0.00 178.44 178.89 1ibm h GLY 80 N -0.95 -0.39 0.87 3.75 0.00 0.15 0.31 103.07 106.81 1ibm h GLY 80 Ca -0.07 0.36 0.14 0.00 0.00 0.00 0.00 47.33 47.76 1ibm h GLY 80 CO 0.11 -0.22 0.44 -2.22 0.00 0.00 0.00 176.54 174.65 1ibm h ILE 81 N -0.38 0.47 0.01 2.60 2.04 -0.63 1.50 117.51 123.12 1ibm h ILE 81 Ca 0.09 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 1ibm h ILE 81 Cb 0.52 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1ibm h ILE 81 CO -0.32 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 177.83 1ibm h ALA 82 N 1.57 -0.01 0.06 1.87 0.00 -0.29 -2.40 119.26 120.06 1ibm h ALA 82 Ca 0.22 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ibm h ALA 82 Cb 1.09 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ibm h ALA 82 CO -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 179.25 179.19 1ibm h ARG 83 N -0.98 -0.09 0.02 0.00 3.08 0.11 -2.60 114.38 113.92 1ibm h ARG 83 Ca -0.00 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.09 1ibm h ARG 83 Cb 0.66 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 1ibm h ARG 83 CO 0.00 -0.06 -0.32 0.00 -1.07 0.00 0.00 179.97 178.52 1ibm h ALA 84 N 0.84 -0.49 0.00 0.04 0.00 0.21 0.41 119.26 120.27 1ibm h ALA 84 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ibm h ALA 84 Cb 0.08 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ibm h ALA 84 CO 0.01 -0.84 0.44 1.25 0.00 0.00 0.00 179.25 180.10 1ibm h LEU 85 N -0.49 0.00 0.02 0.00 5.85 -1.16 1.02 115.31 120.55 1ibm h LEU 85 Ca 0.06 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.42 1ibm h LEU 85 Cb 0.57 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.54 1ibm h LEU 85 CO -0.26 0.00 -2.20 0.52 -0.34 0.00 0.00 178.44 176.16 1ibm n VAL 86 N -2.11 1.52 -0.12 1.05 0.31 0.13 -3.09 118.33 116.01 1ibm n VAL 86 Ca -0.01 -0.75 -0.04 0.00 -0.01 0.00 0.00 64.34 63.53 1ibm n VAL 86 Cb 0.46 -0.99 0.03 0.00 -0.91 0.00 0.00 33.84 32.43 1ibm n VAL 86 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1ibm h GLN 87 N 0.01 0.15 0.00 5.55 1.08 0.29 -1.94 115.11 120.25 1ibm h GLN 87 Ca -0.48 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1ibm h GLN 87 Cb 2.09 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.48 1ibm h GLN 87 CO 0.02 0.10 0.00 0.98 -0.95 0.00 0.00 178.83 178.98 1ibm n TYR 88 N -5.15 0.00 -3.61 2.96 9.36 -0.87 -4.59 117.16 115.26 1ibm n TYR 88 Ca 0.03 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.85 1ibm n TYR 88 Cb 0.20 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.80 1ibm n TYR 88 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ibm s ASN 89 N -1.94 5.69 0.22 2.98 2.47 -1.18 -4.91 114.94 118.28 1ibm s ASN 89 Ca 0.00 -0.80 0.25 0.00 0.42 0.00 0.00 52.86 52.72 1ibm s ASN 89 Cb 0.00 -2.03 0.90 0.00 -1.45 0.00 0.00 41.25 38.68 1ibm s ASN 89 CO 0.00 -0.31 1.74 -0.81 -3.72 0.00 0.00 177.10 174.00 1ibm n PRO 90 N 5.00 0.21 0.00 0.43 -0.04 -0.73 -2.20 135.00 137.67 1ibm n PRO 90 Ca -0.12 0.31 0.06 0.00 -0.04 0.00 0.00 63.50 63.70 1ibm n PRO 90 Cb 0.47 -1.82 0.26 0.00 -0.04 0.00 0.00 33.50 32.37 1ibm n PRO 90 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ibm n ASP 91 N -2.21 0.00 0.19 3.54 9.92 -1.26 -1.23 116.55 125.51 1ibm n ASP 91 Ca 0.04 0.50 0.09 0.00 -0.53 0.00 0.00 54.79 54.89 1ibm n ASP 91 Cb 0.32 -0.50 0.13 0.00 -0.64 0.00 0.00 41.12 40.43 1ibm n ASP 91 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1ibm h TYR 92 N 0.00 0.00 0.24 1.24 0.99 -1.74 -3.31 116.97 114.39 1ibm h TYR 92 Ca 0.00 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.74 1ibm h TYR 92 Cb 0.21 0.00 -0.04 0.00 1.00 0.00 0.00 36.73 37.90 1ibm h TYR 92 CO 0.00 0.17 -0.50 0.00 -0.00 0.00 0.00 178.16 177.83 1ibm h ARG 93 N 0.00 -0.79 0.00 4.88 3.08 -1.37 0.26 114.38 120.44 1ibm h ARG 93 Ca -0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1ibm h ARG 93 Cb 1.12 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1ibm h ARG 93 CO 0.02 -0.52 0.03 0.00 -1.07 0.00 0.00 179.97 178.42 1ibm n ALA 94 N -2.87 0.81 -0.04 0.04 0.00 -1.24 0.39 120.51 117.59 1ibm n ALA 94 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 1ibm n ALA 94 Cb 0.42 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 19.25 1ibm n ALA 94 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ibm n LYS 95 N -0.84 1.67 -0.06 0.00 0.00 0.77 -4.69 118.16 115.01 1ibm n LYS 95 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 58.31 58.22 1ibm n LYS 95 Cb 0.03 -1.20 -0.15 0.00 0.00 0.00 0.00 35.03 33.71 1ibm n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ibm n LEU 96 N -2.51 0.82 -0.20 3.14 4.32 0.11 -4.19 117.00 118.49 1ibm n LEU 96 Ca -0.15 0.20 0.20 0.00 -0.02 0.00 0.00 56.01 56.25 1ibm n LEU 96 Cb 0.73 0.12 0.56 0.00 -1.62 0.00 0.00 43.42 43.21 1ibm n LEU 96 CO 0.14 0.51 1.22 0.11 -1.22 0.00 0.00 177.39 178.15 1ibm h LYS 97 N 0.01 0.29 0.00 3.23 1.57 -0.22 0.27 116.57 121.72 1ibm h LYS 97 Ca -0.42 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1ibm h LYS 97 Cb 2.10 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.34 1ibm h LYS 97 CO 0.05 0.19 0.00 -2.30 -0.57 0.00 0.00 179.45 176.82 1ibm n PRO 98 N -4.45 0.12 -0.03 3.15 -0.02 -1.26 -2.88 135.00 129.62 1ibm n PRO 98 Ca 0.18 0.25 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 1ibm n PRO 98 Cb 0.71 -1.68 0.04 0.00 -0.02 0.00 0.00 33.50 32.55 1ibm n PRO 98 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ibm n LEU 99 N -1.89 1.82 0.00 2.45 7.99 0.79 -5.07 117.00 123.09 1ibm n LEU 99 Ca 0.04 -1.48 0.00 0.00 -0.01 0.00 0.00 56.01 54.56 1ibm n LEU 99 Cb 0.27 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.54 1ibm n LEU 99 CO 0.21 0.43 0.00 0.61 -1.51 0.00 0.00 177.39 177.14 1ibm n GLY 100 N 0.06 1.29 5.00 -0.72 0.00 -0.29 -4.92 105.19 105.62 1ibm n GLY 100 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1ibm n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ibm n PHE 101 N 0.00 0.00 -1.57 1.61 0.99 -1.26 -4.12 117.46 113.11 1ibm n PHE 101 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.04 1ibm n PHE 101 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.47 1ibm n PHE 101 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1ibm n LEU 102 N 0.00 7.64 -3.20 4.37 4.77 -1.26 -4.61 117.00 124.71 1ibm n LEU 102 Ca 0.00 -4.24 0.00 0.00 -0.03 0.00 0.00 56.01 51.75 1ibm n LEU 102 Cb 0.00 -1.62 -0.02 0.00 -2.33 0.00 0.00 43.42 39.45 1ibm n LEU 102 CO 0.00 1.50 0.07 -0.89 -1.33 0.00 0.00 177.39 176.74 1ibm s THR 103 N 2.76 -0.90 -0.09 -5.08 2.01 -1.26 -5.03 115.64 108.06 1ibm s THR 103 Ca 0.56 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.20 1ibm s THR 103 Cb 0.16 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 1ibm s THR 103 CO -0.08 -0.07 1.65 -0.60 -0.69 0.00 0.00 174.62 174.83 1ibm s ARG 104 N 2.76 4.10 -0.62 4.92 3.00 -1.26 -4.91 118.95 126.94 1ibm s ARG 104 Ca 0.13 2.09 -0.28 0.00 -1.00 0.00 0.00 55.73 56.67 1ibm s ARG 104 Cb -0.12 -4.00 0.02 0.00 0.00 0.00 0.00 34.95 30.86 1ibm s ARG 104 CO -0.25 -0.94 1.30 0.34 0.00 0.00 0.00 175.30 175.75 1ibm s ASP 105 N 3.54 6.25 0.51 -2.12 -1.08 -1.26 -4.90 116.67 117.61 1ibm s ASP 105 Ca 0.73 0.01 0.27 0.00 -0.52 0.00 0.00 52.55 53.04 1ibm s ASP 105 Cb -0.32 -2.55 1.48 0.00 -1.46 0.00 0.00 42.92 40.07 1ibm s ASP 105 CO 0.29 -1.67 1.81 0.00 0.52 0.00 0.00 175.17 176.12 1ibm h ALA 106 N 10.24 1.16 -1.86 3.66 0.00 -1.95 -3.40 119.26 127.11 1ibm h ALA 106 Ca -0.26 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 53.99 1ibm h ALA 106 Cb 1.07 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.87 1ibm h ALA 106 CO 1.21 -0.16 1.06 0.54 0.00 0.00 0.00 179.25 181.89 1ibm n ARG 107 N -2.59 1.85 -4.04 0.00 1.74 -1.26 -4.95 116.66 107.42 1ibm n ARG 107 Ca -0.02 0.68 -0.09 0.00 -0.77 0.00 0.00 57.85 57.65 1ibm n ARG 107 Cb 0.23 -2.49 -0.09 0.00 -1.02 0.00 0.00 32.46 29.10 1ibm n ARG 107 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ibm s VAL 108 N 4.05 0.13 0.24 1.55 1.01 -1.26 -4.30 120.40 121.82 1ibm s VAL 108 Ca 0.95 -1.63 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 1ibm s VAL 108 Cb -0.81 -1.74 -0.14 0.00 0.00 0.00 0.00 36.38 33.69 1ibm s VAL 108 CO 0.56 -0.58 1.25 0.52 0.00 0.00 0.00 175.10 176.85 1ibm n VAL 109 N -0.07 1.26 -3.21 2.92 0.31 -1.26 -4.94 118.33 113.35 1ibm n VAL 109 Ca -0.10 -0.32 -0.39 0.00 -0.01 0.00 0.00 64.34 63.53 1ibm n VAL 109 Cb 0.63 -1.23 -0.06 0.00 -0.91 0.00 0.00 33.84 32.27 1ibm n VAL 109 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1ibm s GLU 110 N -0.80 4.29 0.50 5.55 2.12 -1.26 -5.02 118.70 124.07 1ibm s GLU 110 Ca 0.66 0.82 -0.23 0.00 0.36 0.00 0.00 54.97 56.58 1ibm s GLU 110 Cb -0.70 -3.26 -0.07 0.00 0.26 0.00 0.00 34.13 30.35 1ibm s GLU 110 CO 0.54 0.58 1.20 -2.13 -0.54 0.00 0.00 175.26 174.91 1ibm n ARG 111 N 1.86 1.57 -2.65 4.30 0.00 -1.26 -4.89 116.66 115.59 1ibm n ARG 111 Ca -0.09 0.57 -0.42 0.00 -0.00 0.00 0.00 57.85 57.91 1ibm n ARG 111 Cb 0.50 -2.35 -0.03 0.00 0.00 0.00 0.00 32.46 30.58 1ibm n ARG 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1ibm s LYS 112 N -2.51 3.46 0.43 -0.14 2.36 -1.26 -4.21 119.74 117.88 1ibm s LYS 112 Ca 0.68 -1.03 -0.23 0.00 -2.55 0.00 0.00 55.97 52.84 1ibm s LYS 112 Cb -0.47 -4.93 -0.09 0.00 -1.05 0.00 0.00 37.83 31.30 1ibm s LYS 112 CO 0.53 -2.08 1.05 0.15 1.55 0.00 0.00 175.35 176.55 1ibm s LYS 113 N 4.64 4.02 0.98 4.03 3.01 -1.26 -4.75 119.74 130.42 1ibm s LYS 113 Ca 0.39 1.48 -0.13 0.00 -1.01 0.00 0.00 55.97 56.70 1ibm s LYS 113 Cb -0.04 -2.39 0.18 0.00 -1.01 0.00 0.00 37.83 34.57 1ibm s LYS 113 CO -0.03 -0.26 1.13 1.52 0.51 0.00 0.00 175.35 178.22 1ibm s TYR 114 N -1.75 2.07 0.00 3.18 -0.00 -1.26 -3.39 117.35 116.20 1ibm s TYR 114 Ca 0.61 0.83 0.00 0.00 -0.00 0.00 0.00 57.07 58.51 1ibm s TYR 114 Cb -0.21 -3.39 0.00 0.00 -0.00 0.00 0.00 41.96 38.37 1ibm s TYR 114 CO 0.26 -2.77 0.00 0.41 -0.00 0.00 0.00 175.55 173.44 1ibm n GLY 115 N -1.72 1.95 3.33 5.49 0.00 -1.26 -4.92 105.19 108.07 1ibm n GLY 115 Ca 0.07 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 1ibm n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ibm n LYS 116 N 0.00 -0.46 -0.01 1.61 4.76 -1.22 -4.59 118.16 118.26 1ibm n LYS 116 Ca 0.00 -2.11 0.09 0.00 -2.87 0.00 0.00 58.31 53.42 1ibm n LYS 116 Cb 0.00 -0.82 -0.14 0.00 -1.84 0.00 0.00 35.03 32.24 1ibm n LYS 116 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1ibm n HIS 117 N -3.03 0.00 -2.67 2.13 8.25 0.06 -4.76 115.22 115.20 1ibm n HIS 117 Ca 0.14 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.56 1ibm n HIS 117 Cb 0.50 -0.38 0.10 0.00 1.12 0.00 0.00 29.99 31.34 1ibm n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ibm n LYS 118 N -2.07 1.09 0.00 -0.41 5.02 -1.25 -4.92 118.16 115.62 1ibm n LYS 118 Ca -0.03 -1.38 0.00 0.00 -2.02 0.00 0.00 58.31 54.88 1ibm n LYS 118 Cb 0.46 0.14 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 1ibm n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ibm n ALA 119 N -0.91 0.00 0.03 7.82 0.00 -1.26 -4.23 120.51 121.97 1ibm n ALA 119 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ibm n ALA 119 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.27 1ibm n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ibm n ARG 120 N -0.34 0.00 -1.40 0.00 1.74 -1.26 -4.68 116.66 110.72 1ibm n ARG 120 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 1ibm n ARG 120 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 1ibm n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1ibm n ARG 121 N -2.68 0.10 -2.39 5.56 0.00 -1.26 -4.69 116.66 111.30 1ibm n ARG 121 Ca 0.00 -0.27 -0.38 0.00 -0.00 0.00 0.00 57.85 57.20 1ibm n ARG 121 Cb 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 32.46 30.76 1ibm n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ibm s ALA 122 N 3.77 3.21 0.43 5.13 0.00 -1.26 -0.76 121.76 132.27 1ibm s ALA 122 Ca 0.92 0.89 -0.25 0.00 0.00 0.00 0.00 51.96 53.51 1ibm s ALA 122 Cb -0.48 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.22 1ibm s ALA 122 CO 0.33 -0.37 1.32 -1.25 0.00 0.00 0.00 175.76 175.80 1ibm s PRO 123 N -2.14 3.84 0.62 0.00 0.04 -1.26 -4.88 135.00 131.22 1ibm s PRO 123 Ca 0.54 2.19 -0.07 0.00 0.04 0.00 0.00 61.00 63.70 1ibm s PRO 123 Cb -0.29 -2.68 0.14 0.00 0.04 0.00 0.00 34.50 31.71 1ibm s PRO 123 CO 0.37 -0.62 0.85 0.00 0.04 0.00 0.00 177.00 177.64 1ibm n GLN 124 N -0.06 -0.53 -0.97 4.56 10.64 -1.26 -5.10 117.38 124.66 1ibm n GLN 124 Ca 0.05 -1.64 0.00 0.00 -1.83 0.00 0.00 57.00 53.58 1ibm n GLN 124 Cb 0.44 -0.78 0.00 0.00 -0.86 0.00 0.00 30.24 29.04 1ibm n GLN 124 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 1ibm n TYR 125 N -2.97 -0.59 -3.67 2.61 0.18 -1.26 -5.19 117.16 106.27 1ibm n TYR 125 Ca 0.12 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.90 1ibm n TYR 125 Cb 0.41 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.37 1ibm n TYR 125 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1ibm n SER 126 N -0.59 1.03 0.00 9.48 3.41 -1.26 -4.95 113.62 120.73 1ibm n SER 126 Ca 0.00 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 1ibm n SER 126 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ibm n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ibm n LYS 127 N 0.00 0.00 0.00 4.33 4.01 -1.26 -5.35 118.16 119.89 1ibm n LYS 127 Ca 0.00 0.00 0.05 0.00 -0.51 0.00 0.00 58.31 57.85 1ibm n LYS 127 Cb 0.00 0.00 0.04 0.00 -0.51 0.00 0.00 35.03 34.56 1ibm n LYS 127 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16