#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9t n THR 3 N 0.00 0.00 -1.99 12.58 -1.04 -1.26 -4.72 114.28 117.85 1r9t n THR 3 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1r9t n THR 3 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1r9t n THR 3 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1r9t n PHE 4 N 0.00 0.00 -3.65 -1.42 1.16 -1.26 -5.00 117.46 107.30 1r9t n PHE 4 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.54 1r9t n PHE 4 Cb 0.00 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 37.80 1r9t n PHE 4 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 1r9t s ARG 5 N 2.01 0.16 0.28 3.97 6.06 -1.26 -5.21 118.95 124.95 1r9t s ARG 5 Ca 0.00 0.19 0.09 0.00 -2.50 0.00 0.00 55.73 53.51 1r9t s ARG 5 Cb 0.00 0.07 -0.04 0.00 0.06 0.00 0.00 34.95 35.04 1r9t s ARG 5 CO 0.00 -0.02 0.06 -0.06 -2.50 0.00 0.00 175.30 172.78 1r9t s PHE 6 N 0.19 2.76 0.27 5.12 0.40 -1.26 -3.96 117.98 121.49 1r9t s PHE 6 Ca 0.05 -0.25 -0.31 0.00 -0.60 0.00 0.00 56.93 55.82 1r9t s PHE 6 Cb -0.05 -1.33 -0.12 0.00 0.51 0.00 0.00 43.02 42.03 1r9t s PHE 6 CO -0.13 0.54 1.64 0.00 0.70 0.00 0.00 175.22 177.97 1r9t n ARG 8 N 2.77 1.63 0.00 0.00 1.85 -1.26 -3.91 116.66 117.74 1r9t n ARG 8 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 1r9t n ARG 8 Cb 0.36 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.77 1r9t n ARG 8 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1r9t n ASP 9 N 0.00 0.00 -0.79 2.89 8.00 -1.26 -4.35 116.55 121.04 1r9t n ASP 9 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1r9t n ASP 9 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1r9t n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r9t n ASN 11 N 0.24 0.00 0.00 0.00 5.15 -1.25 -4.85 115.26 114.54 1r9t n ASN 11 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1r9t n ASN 11 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1r9t n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1r9t n ASN 12 N 0.07 0.00 -4.11 1.20 5.03 -1.26 -4.89 115.26 111.31 1r9t n ASN 12 Ca 0.00 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.16 1r9t n ASN 12 Cb 0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 38.59 1r9t n ASN 12 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1r9t s MET 13 N 4.15 2.43 -0.03 3.52 -1.94 -1.26 -1.09 119.30 125.08 1r9t s MET 13 Ca 0.00 -0.65 0.06 0.00 -1.71 0.00 0.00 55.69 53.39 1r9t s MET 13 Cb 0.00 -1.96 -0.01 0.00 2.01 0.00 0.00 34.83 34.86 1r9t s MET 13 CO 0.00 0.03 -0.22 -0.48 -0.01 0.00 0.00 175.02 174.34 1r9t s LEU 14 N 0.72 2.03 0.00 -0.03 2.34 -1.25 -4.06 118.68 118.43 1r9t s LEU 14 Ca -0.12 -0.42 0.00 0.00 0.06 0.00 0.00 54.13 53.65 1r9t s LEU 14 Cb -0.16 -1.18 0.00 0.00 -0.56 0.00 0.00 46.19 44.29 1r9t s LEU 14 CO 0.02 0.26 0.00 -1.22 -1.06 0.00 0.00 176.35 174.35 1r9t n TYR 15 N 2.68 -1.17 -3.70 3.48 4.02 -1.25 -4.56 117.16 116.66 1r9t n TYR 15 Ca -0.16 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.62 1r9t n TYR 15 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.73 1r9t n TYR 15 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1r9t s PRO 16 N -0.15 0.35 0.05 -0.72 0.04 -1.26 0.53 135.00 133.84 1r9t s PRO 16 Ca 0.00 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1r9t s PRO 16 Cb 0.00 -0.01 -0.00 0.00 0.04 0.00 0.00 34.50 34.53 1r9t s PRO 16 CO 0.00 -0.17 0.01 -2.13 0.04 0.00 0.00 177.00 174.75 1r9t n ARG 17 N 4.39 1.27 -3.02 4.56 0.63 0.79 -4.91 116.66 120.37 1r9t n ARG 17 Ca -0.22 -0.39 -0.42 0.00 -0.92 0.00 0.00 57.85 55.90 1r9t n ARG 17 Cb 0.54 0.17 -0.06 0.00 0.45 0.00 0.00 32.46 33.56 1r9t n ARG 17 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1r9t s GLU 18 N -2.18 3.63 -0.90 -0.14 2.12 -1.26 0.26 118.70 120.22 1r9t s GLU 18 Ca 0.01 0.10 -0.24 0.00 0.36 0.00 0.00 54.97 55.20 1r9t s GLU 18 Cb 0.00 -3.84 0.00 0.00 0.26 0.00 0.00 34.13 30.55 1r9t s GLU 18 CO 0.01 -0.87 1.66 0.34 -0.54 0.00 0.00 175.26 175.85 1r9t s ASP 19 N 1.89 5.83 0.00 -1.70 -1.08 0.77 -4.75 116.67 117.63 1r9t s ASP 19 Ca 0.28 -0.87 0.00 0.00 -0.52 0.00 0.00 52.55 51.45 1r9t s ASP 19 Cb -0.13 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 1r9t s ASP 19 CO 0.17 -2.09 0.00 0.29 0.52 0.00 0.00 175.17 174.06 1r9t n LYS 20 N 8.96 0.00 0.00 4.34 4.76 -1.26 0.49 118.16 135.45 1r9t n LYS 20 Ca 0.31 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 1r9t n LYS 20 Cb 0.49 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 1r9t n LYS 20 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1r9t n GLU 21 N 0.00 0.00 0.00 1.97 1.02 -1.26 -0.55 120.64 121.82 1r9t n GLU 21 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1r9t n GLU 21 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1r9t n GLU 21 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1r9t n ASN 22 N 0.00 0.95 -3.10 1.62 2.85 -1.26 -4.87 115.26 111.46 1r9t n ASN 22 Ca 0.00 -0.86 -0.00 0.00 -0.11 0.00 0.00 54.58 53.60 1r9t n ASN 22 Cb 0.00 -0.22 -0.00 0.00 1.24 0.00 0.00 39.78 40.80 1r9t n ASN 22 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1r9t n ASN 23 N 0.59 -6.79 -3.59 1.20 3.02 0.18 -5.03 115.26 104.83 1r9t n ASN 23 Ca 0.00 0.71 0.04 0.00 -0.03 0.00 0.00 54.58 55.29 1r9t n ASN 23 Cb 0.17 -1.94 -0.00 0.00 -0.61 0.00 0.00 39.78 37.40 1r9t n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r9t s ARG 24 N -0.66 0.08 -0.10 3.52 1.70 -0.19 -4.89 118.95 118.41 1r9t s ARG 24 Ca -0.01 -0.04 0.00 0.00 -0.47 0.00 0.00 55.73 55.20 1r9t s ARG 24 Cb 0.00 0.03 -0.03 0.00 -0.57 0.00 0.00 34.95 34.38 1r9t s ARG 24 CO 0.08 -0.04 -0.08 -1.17 -1.08 0.00 0.00 175.30 173.01 1r9t s LEU 25 N -3.06 3.05 -0.75 -1.89 2.96 -1.26 0.27 118.68 118.00 1r9t s LEU 25 Ca 0.16 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 1r9t s LEU 25 Cb 0.07 -1.68 0.18 0.00 0.50 0.00 0.00 46.19 45.26 1r9t s LEU 25 CO -0.06 0.28 0.57 -0.76 -1.32 0.00 0.00 176.35 175.06 1r9t s LEU 26 N -0.34 5.07 0.50 -0.68 1.43 0.72 0.27 118.68 125.65 1r9t s LEU 26 Ca 0.05 -3.67 -0.20 0.00 -1.03 0.00 0.00 54.13 49.28 1r9t s LEU 26 Cb -0.12 -1.75 -0.08 0.00 0.03 0.00 0.00 46.19 44.27 1r9t s LEU 26 CO 0.02 -0.15 1.05 -0.36 0.23 0.00 0.00 176.35 177.14 1r9t s PHE 27 N -1.23 2.97 -0.29 0.29 2.99 -1.03 -0.15 117.98 121.53 1r9t s PHE 27 Ca 0.25 1.57 -0.17 0.00 0.00 0.00 0.00 56.93 58.58 1r9t s PHE 27 Cb -0.08 -3.07 0.16 0.00 0.00 0.00 0.00 43.02 40.02 1r9t s PHE 27 CO -0.13 -0.92 1.05 -1.83 -0.00 0.00 0.00 175.22 173.39 1r9t s GLU 28 N -3.34 0.31 0.03 0.44 4.04 0.19 -0.27 118.70 120.09 1r9t s GLU 28 Ca 0.67 0.52 -0.32 0.00 0.04 0.00 0.00 54.97 55.89 1r9t s GLU 28 Cb -0.17 0.07 -0.11 0.00 0.02 0.00 0.00 34.13 33.94 1r9t s GLU 28 CO 0.22 -0.06 1.88 0.00 -1.84 0.00 0.00 175.26 175.47 1r9t n ARG 30 N 6.48 1.84 -0.12 0.00 0.00 -1.26 -2.76 116.66 120.84 1r9t n ARG 30 Ca 0.20 -2.01 -0.24 0.00 -0.00 0.00 0.00 57.85 55.81 1r9t n ARG 30 Cb 0.36 -1.79 -0.11 0.00 -0.00 0.00 0.00 32.46 30.92 1r9t n ARG 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1r9t n THR 31 N -0.58 1.53 0.00 8.89 -1.04 -1.26 -5.03 114.28 116.79 1r9t n THR 31 Ca 0.40 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1r9t n THR 31 Cb 1.26 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 1r9t n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1r9t n SER 33 N 0.00 0.00 -4.05 0.00 7.64 -1.26 -5.12 113.62 110.83 1r9t n SER 33 Ca 0.00 -1.00 -0.36 0.00 1.01 0.00 0.00 58.87 58.52 1r9t n SER 33 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1r9t n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r9t n TYR 34 N 0.00 -4.81 -3.99 1.43 -0.00 -1.26 -4.57 117.16 103.95 1r9t n TYR 34 Ca 0.00 0.02 -0.08 0.00 -0.00 0.00 0.00 57.90 57.85 1r9t n TYR 34 Cb 0.48 -1.48 -0.09 0.00 -0.00 0.00 0.00 39.34 38.25 1r9t n TYR 34 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1r9t s VAL 35 N -2.02 0.18 0.04 2.97 1.01 -1.26 -3.52 120.40 117.80 1r9t s VAL 35 Ca 0.43 -1.50 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1r9t s VAL 35 Cb -0.21 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1r9t s VAL 35 CO 0.80 -0.83 0.02 -1.83 0.00 0.00 0.00 175.10 173.27 1r9t s GLU 36 N -3.69 0.53 0.34 2.72 -1.05 0.63 -4.99 118.70 113.18 1r9t s GLU 36 Ca 0.04 -0.88 -0.28 0.00 -0.15 0.00 0.00 54.97 53.70 1r9t s GLU 36 Cb 0.06 0.19 -0.10 0.00 -0.44 0.00 0.00 34.13 33.84 1r9t s GLU 36 CO -0.10 -0.11 1.25 -1.83 0.95 0.00 0.00 175.26 175.42 1r9t s GLU 37 N -2.79 4.34 -0.19 -4.83 -1.05 -1.26 -2.48 118.70 110.44 1r9t s GLU 37 Ca -0.03 2.09 -0.24 0.00 -0.15 0.00 0.00 54.97 56.64 1r9t s GLU 37 Cb -0.00 -3.02 -0.11 0.00 -0.44 0.00 0.00 34.13 30.56 1r9t s GLU 37 CO -0.06 -0.15 0.77 0.00 0.95 0.00 0.00 175.26 176.77 1r9t n ALA 38 N 0.73 -1.16 -0.12 -0.84 0.00 0.78 -4.80 120.51 115.09 1r9t n ALA 38 Ca 0.01 0.28 -0.05 0.00 0.00 0.00 0.00 53.44 53.68 1r9t n ALA 38 Cb 0.43 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.89 1r9t n ALA 38 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1r9t h GLY 39 N 2.35 0.18 -3.93 0.00 0.00 -1.93 -3.46 103.07 96.28 1r9t h GLY 39 Ca -0.25 0.21 0.26 0.00 0.00 0.00 0.00 47.33 47.56 1r9t h GLY 39 CO 0.47 -0.19 0.85 -1.35 0.00 0.00 0.00 176.54 176.33 1r9t s SER 40 N -5.17 -0.11 0.43 0.19 1.04 -1.26 -5.05 113.70 103.77 1r9t s SER 40 Ca -0.14 0.02 0.29 0.00 0.48 0.00 0.00 55.95 56.59 1r9t s SER 40 Cb 0.15 0.11 1.05 0.00 0.10 0.00 0.00 66.02 67.43 1r9t s SER 40 CO 0.70 -0.17 1.83 1.55 0.98 0.00 0.00 173.24 178.14 1r9t h PRO 41 N 2.02 0.00 -6.39 4.02 0.14 -2.00 -3.45 132.00 126.34 1r9t h PRO 41 Ca -0.08 0.00 -0.59 0.00 0.14 0.00 0.00 66.00 65.47 1r9t h PRO 41 Cb 1.16 0.00 0.16 0.00 0.14 0.00 0.00 31.00 32.46 1r9t h PRO 41 CO 0.22 0.00 -0.49 -0.11 0.14 0.00 0.00 178.00 177.76 1r9t n LEU 42 N -2.80 0.00 0.00 1.56 -0.00 -1.26 -4.92 117.00 109.59 1r9t n LEU 42 Ca 0.02 0.78 0.00 0.00 -0.00 0.00 0.00 56.01 56.81 1r9t n LEU 42 Cb 0.34 -1.12 0.00 0.00 -0.00 0.00 0.00 43.42 42.64 1r9t n LEU 42 CO 0.27 -3.21 0.00 0.52 -0.00 0.00 0.00 177.39 174.97 1r9t n VAL 43 N -1.42 0.00 -3.76 1.96 0.31 -1.26 -5.00 118.33 109.15 1r9t n VAL 43 Ca 0.11 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.28 1r9t n VAL 43 Cb 0.45 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.22 1r9t n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1r9t s TYR 44 N -1.00 0.05 0.11 3.52 5.04 -1.26 -5.09 117.35 118.73 1r9t s TYR 44 Ca 0.00 0.15 0.10 0.00 -2.44 0.00 0.00 57.07 54.88 1r9t s TYR 44 Cb 0.00 -0.30 -0.04 0.00 0.35 0.00 0.00 41.96 41.98 1r9t s TYR 44 CO 0.00 -0.11 -0.25 0.50 -1.34 0.00 0.00 175.55 174.35 1r9t s ARG 45 N 1.29 1.33 0.01 4.97 6.06 -1.26 -5.04 118.95 126.30 1r9t s ARG 45 Ca -0.06 -1.26 -0.01 0.00 -2.50 0.00 0.00 55.73 51.90 1r9t s ARG 45 Cb -0.13 -1.72 -0.00 0.00 0.06 0.00 0.00 34.95 33.16 1r9t s ARG 45 CO -0.03 0.41 -0.02 1.58 -2.50 0.00 0.00 175.30 174.74 1r9t n HIS 46 N 1.04 0.00 -1.63 5.12 -0.00 -1.26 -5.03 115.22 113.46 1r9t n HIS 46 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 1r9t n HIS 46 Cb 0.53 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.50 1r9t n HIS 46 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1r9t n GLU 47 N -2.75 -4.59 0.00 1.57 1.02 -1.26 -4.90 120.64 109.74 1r9t n GLU 47 Ca -0.01 3.34 0.00 0.00 -0.02 0.00 0.00 57.16 60.47 1r9t n GLU 47 Cb 0.02 -3.70 0.00 0.00 -0.02 0.00 0.00 31.44 27.75 1r9t n GLU 47 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1r9t n LEU 48 N 0.07 0.00 -3.52 -4.62 4.77 -1.26 -4.93 117.00 107.51 1r9t n LEU 48 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1r9t n LEU 48 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1r9t n LEU 48 CO 0.00 0.02 -0.23 -0.63 -1.33 0.00 0.00 177.39 175.22 1r9t s ILE 49 N 0.00 -0.28 -0.10 -0.08 1.01 -1.26 -5.13 121.20 115.35 1r9t s ILE 49 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.58 1r9t s ILE 49 Cb 0.00 -0.64 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 1r9t s ILE 49 CO 0.00 -0.20 -0.20 -0.89 0.00 0.00 0.00 174.94 173.65 1r9t s THR 50 N 2.29 2.40 -2.53 2.92 2.01 -1.26 -5.01 115.64 116.46 1r9t s THR 50 Ca 0.06 -0.90 0.26 0.00 0.31 0.00 0.00 61.69 61.41 1r9t s THR 50 Cb -0.16 -1.94 0.34 0.00 0.01 0.00 0.00 72.50 70.75 1r9t s THR 50 CO -0.11 0.55 1.49 0.59 -0.69 0.00 0.00 174.62 176.45 1r9t n ASN 51 N 3.44 2.00 -4.12 3.53 3.02 -1.26 -4.82 115.26 117.05 1r9t n ASN 51 Ca -0.19 -1.60 -0.42 0.00 -0.03 0.00 0.00 54.58 52.35 1r9t n ASN 51 Cb 0.53 0.06 -0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1r9t n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r9t n ILE 52 N 0.45 3.58 0.00 2.41 0.13 -1.26 -2.03 119.36 122.65 1r9t n ILE 52 Ca 0.15 -3.42 0.00 0.00 -1.10 0.00 0.00 62.75 58.38 1r9t n ILE 52 Cb 0.45 -2.48 0.00 0.00 -0.84 0.00 0.00 39.64 36.77 1r9t n ILE 52 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1r9t n GLY 53 N 4.73 0.00 0.00 4.50 0.00 -1.26 -5.09 105.19 108.07 1r9t n GLY 53 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1r9t n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r9t n GLU 54 N 0.00 0.00 -0.59 1.61 1.02 -0.86 -3.59 120.64 118.23 1r9t n GLU 54 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1r9t n GLU 54 Cb 0.00 -0.45 0.21 0.00 -0.02 0.00 0.00 31.44 31.18 1r9t n GLU 54 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1r9t n THR 55 N 0.00 0.00 0.00 2.62 -1.04 -1.26 -2.67 114.28 111.93 1r9t n THR 55 Ca 0.00 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1r9t n THR 55 Cb 0.00 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 1r9t n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1r9t n ALA 56 N -4.60 0.00 0.00 2.41 0.00 -1.26 -4.80 120.51 112.25 1r9t n ALA 56 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1r9t n ALA 56 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1r9t n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r9t n GLY 57 N -0.34 0.00 3.62 0.00 0.00 -1.26 -4.85 105.19 102.35 1r9t n GLY 57 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1r9t n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r9t s VAL 58 N 0.00 4.39 -0.29 1.61 1.01 -1.26 -4.99 120.40 120.87 1r9t s VAL 58 Ca 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 1r9t s VAL 58 Cb 0.00 -2.92 0.10 0.00 0.00 0.00 0.00 36.38 33.57 1r9t s VAL 58 CO 0.00 0.52 0.73 -0.69 0.00 0.00 0.00 175.10 175.66 1r9t s VAL 59 N -0.07 -0.25 0.27 2.92 1.01 -1.26 -5.01 120.40 118.01 1r9t s VAL 59 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.08 1r9t s VAL 59 Cb -0.13 -1.00 0.34 0.00 0.00 0.00 0.00 36.38 35.60 1r9t s VAL 59 CO 0.02 0.00 1.32 1.67 0.00 0.00 0.00 175.10 178.11 1r9t n GLN 60 N 4.53 -0.06 0.03 2.72 -0.06 -1.26 0.35 117.38 123.63 1r9t n GLN 60 Ca -0.18 1.24 0.22 0.00 -2.00 0.00 0.00 57.00 56.28 1r9t n GLN 60 Cb 0.56 -2.03 0.73 0.00 -4.06 0.00 0.00 30.24 25.44 1r9t n GLN 60 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 1r9t h ASP 61 N 0.00 0.00 -0.42 1.69 3.32 -2.01 -3.01 116.42 116.00 1r9t h ASP 61 Ca 0.56 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.66 1r9t h ASP 61 Cb 1.26 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.75 1r9t h ASP 61 CO -0.76 0.00 -0.20 0.00 -1.72 0.00 0.00 179.24 176.56 1r9t n ILE 62 N -3.94 -0.25 0.17 0.35 3.06 1.09 0.98 119.36 120.82 1r9t n ILE 62 Ca 0.10 0.99 0.04 0.00 -2.50 0.00 0.00 62.75 61.37 1r9t n ILE 62 Cb 0.68 -1.27 0.19 0.00 0.54 0.00 0.00 39.64 39.78 1r9t n ILE 62 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1r9t h GLY 63 N 0.00 0.00 0.00 4.50 0.00 -1.75 -3.15 103.07 102.67 1r9t h GLY 63 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.26 1r9t h GLY 63 CO -0.40 0.00 -1.93 -1.14 0.00 0.00 0.00 176.54 173.07 1r9t n SER 64 N -1.93 1.30 -4.64 0.19 3.41 0.27 -4.91 113.62 107.32 1r9t n SER 64 Ca -0.00 0.00 -0.52 0.00 -0.26 0.00 0.00 58.87 58.09 1r9t n SER 64 Cb 0.53 1.16 -0.06 0.00 -0.26 0.00 0.00 64.21 65.58 1r9t n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1r9t n ASP 65 N -2.39 2.80 -1.23 4.04 -0.08 -1.19 -4.84 116.55 113.67 1r9t n ASP 65 Ca -0.17 0.88 0.07 0.00 -1.51 0.00 0.00 54.79 54.05 1r9t n ASP 65 Cb 0.80 -1.27 0.26 0.00 2.34 0.00 0.00 41.12 43.25 1r9t n ASP 65 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1r9t n PRO 66 N 6.59 2.98 0.00 -0.67 -0.04 -1.26 -3.24 135.00 139.37 1r9t n PRO 66 Ca 0.28 -2.07 0.12 0.00 -0.04 0.00 0.00 63.50 61.79 1r9t n PRO 66 Cb 0.23 -1.72 0.09 0.00 -0.04 0.00 0.00 33.50 32.06 1r9t n PRO 66 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1r9t n THR 67 N 0.76 0.00 -3.32 0.52 -2.24 -1.26 -4.74 114.28 104.00 1r9t n THR 67 Ca 0.19 -0.44 -0.38 0.00 -2.27 0.00 0.00 64.05 61.15 1r9t n THR 67 Cb 0.68 1.41 -0.06 0.00 -2.10 0.00 0.00 70.33 70.26 1r9t n THR 67 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1r9t s LEU 68 N -2.10 4.25 0.79 3.22 1.43 -1.20 -4.99 118.68 120.08 1r9t s LEU 68 Ca 0.26 0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 54.01 1r9t s LEU 68 Cb 0.20 -2.67 0.07 0.00 0.03 0.00 0.00 46.19 43.82 1r9t s LEU 68 CO 0.36 -0.02 1.11 -2.16 0.23 0.00 0.00 176.35 175.87 1r9t s PRO 69 N 0.78 2.11 -0.01 1.29 0.04 -1.26 -4.93 135.00 133.02 1r9t s PRO 69 Ca 0.25 0.53 -0.00 0.00 0.04 0.00 0.00 61.00 61.81 1r9t s PRO 69 Cb -0.15 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1r9t s PRO 69 CO 0.10 -1.57 0.02 1.03 0.04 0.00 0.00 177.00 176.61 1r9t s ARG 70 N -5.24 0.00 0.43 4.56 0.52 -1.26 -2.74 118.95 115.23 1r9t s ARG 70 Ca 0.61 0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.91 1r9t s ARG 70 Cb -0.14 -0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.28 1r9t s ARG 70 CO 0.53 -0.05 0.63 -1.54 0.02 0.00 0.00 175.30 174.89 1r9t s SER 71 N 0.30 5.76 -0.64 0.23 1.04 -1.26 -5.03 113.70 114.11 1r9t s SER 71 Ca -0.02 0.07 -0.03 0.00 0.48 0.00 0.00 55.95 56.45 1r9t s SER 71 Cb -0.04 -1.29 0.20 0.00 0.10 0.00 0.00 66.02 64.99 1r9t s SER 71 CO -0.01 -0.71 2.41 -0.90 0.98 0.00 0.00 173.24 175.02 1r9t n ASP 72 N -2.00 6.98 0.00 7.02 5.75 -1.26 -4.66 116.55 128.38 1r9t n ASP 72 Ca 0.02 -3.50 0.00 0.00 -0.01 0.00 0.00 54.79 51.30 1r9t n ASP 72 Cb 0.58 -1.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.52 1r9t n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1r9t n ARG 73 N 0.20 1.45 -4.16 0.11 1.74 -1.26 -5.04 116.66 109.69 1r9t n ARG 73 Ca 0.51 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.49 1r9t n ARG 73 Cb 0.41 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.75 1r9t n ARG 73 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1r9t s GLU 74 N 4.07 0.87 0.30 5.56 2.02 -1.26 -4.65 118.70 125.60 1r9t s GLU 74 Ca 0.00 -1.38 0.04 0.00 0.02 0.00 0.00 54.97 53.64 1r9t s GLU 74 Cb 0.00 0.02 -0.03 0.00 0.10 0.00 0.00 34.13 34.22 1r9t s GLU 74 CO 0.00 -0.14 0.45 0.00 0.02 0.00 0.00 175.26 175.59 1r9t h PRO 76 N 0.97 0.00 0.08 0.00 0.11 -1.94 -3.36 132.00 127.86 1r9t h PRO 76 Ca -0.50 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.31 1r9t h PRO 76 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1r9t h PRO 76 CO 0.60 0.31 -1.58 0.87 -0.21 0.00 0.00 178.00 177.99 1r9t h LYS 77 N 0.00 0.17 -2.03 1.05 1.57 -2.00 -3.46 116.57 111.87 1r9t h LYS 77 Ca -0.16 -0.29 -0.58 0.00 -1.87 0.00 0.00 60.65 57.75 1r9t h LYS 77 Cb 1.60 0.11 -0.42 0.00 0.08 0.00 0.00 32.23 33.60 1r9t h LYS 77 CO 0.05 0.97 -0.72 0.00 -0.57 0.00 0.00 179.45 179.18 1r9t n HIS 79 N -0.27 0.00 -1.30 0.00 8.25 -1.26 -4.70 115.22 115.93 1r9t n HIS 79 Ca 0.32 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.48 1r9t n HIS 79 Cb 0.49 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.73 1r9t n HIS 79 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1r9t s SER 80 N -0.10 3.73 -0.34 0.41 1.04 -1.26 -4.53 113.70 112.65 1r9t s SER 80 Ca 0.00 1.42 -0.00 0.00 0.48 0.00 0.00 55.95 57.85 1r9t s SER 80 Cb 0.00 -2.11 0.28 0.00 0.10 0.00 0.00 66.02 64.28 1r9t s SER 80 CO 0.00 -2.47 1.91 0.54 0.98 0.00 0.00 173.24 174.20 1r9t n ARG 81 N -3.77 1.88 -4.05 4.02 1.74 -1.26 -3.36 116.66 111.86 1r9t n ARG 81 Ca 0.07 -1.78 -0.32 0.00 -0.77 0.00 0.00 57.85 55.05 1r9t n ARG 81 Cb 0.56 -1.70 -0.16 0.00 -1.02 0.00 0.00 32.46 30.14 1r9t n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1r9t s GLU 82 N -2.05 2.35 0.00 5.56 0.41 -1.26 -4.70 118.70 119.02 1r9t s GLU 82 Ca 0.35 -0.99 0.00 0.00 -0.41 0.00 0.00 54.97 53.92 1r9t s GLU 82 Cb 0.28 -2.59 0.00 0.00 -1.78 0.00 0.00 34.13 30.03 1r9t s GLU 82 CO 0.01 -0.41 0.00 0.09 -0.49 0.00 0.00 175.26 174.46 1r9t n ASN 83 N 4.59 0.00 -3.65 -0.19 3.02 -1.26 0.74 115.26 118.51 1r9t n ASN 83 Ca -0.16 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.38 1r9t n ASN 83 Cb 0.46 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.57 1r9t n ASN 83 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1r9t s VAL 84 N -2.19 0.00 0.03 2.41 0.11 -1.03 -4.54 120.40 115.19 1r9t s VAL 84 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1r9t s VAL 84 Cb 0.00 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1r9t s VAL 84 CO 0.00 0.00 0.02 2.22 -3.33 0.00 0.00 175.10 174.01 1r9t n PHE 85 N 2.30 -0.05 0.00 1.54 1.16 -1.11 -2.24 117.46 119.07 1r9t n PHE 85 Ca -0.14 -0.26 0.00 0.00 -1.87 0.00 0.00 57.45 55.19 1r9t n PHE 85 Cb 0.57 0.02 0.00 0.00 -1.61 0.00 0.00 39.48 38.45 1r9t n PHE 85 CO 0.00 0.00 0.00 1.97 -1.87 0.00 0.00 176.76 176.86 1r9t n PHE 86 N -0.07 0.00 -2.67 2.97 1.16 -1.14 -4.49 117.46 113.22 1r9t n PHE 86 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.26 1r9t n PHE 86 Cb 0.06 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.87 1r9t n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1r9t s GLN 87 N -2.00 4.08 -0.42 3.97 -0.21 -1.26 -1.94 119.66 121.89 1r9t s GLN 87 Ca 0.00 0.99 -0.37 0.00 0.02 0.00 0.00 55.36 56.01 1r9t s GLN 87 Cb 0.00 -2.19 -0.16 0.00 1.00 0.00 0.00 33.01 31.66 1r9t s GLN 87 CO 0.00 -0.11 1.76 0.45 -2.12 0.00 0.00 175.29 175.26 1r9t n SER 88 N -1.03 0.64 0.00 5.90 2.88 -1.24 -4.86 113.62 115.91 1r9t n SER 88 Ca 0.06 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1r9t n SER 88 Cb 0.54 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1r9t n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r9t n GLN 89 N 6.10 0.00 -2.75 -1.46 1.13 -1.09 -4.74 117.38 114.57 1r9t n GLN 89 Ca 0.45 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 55.22 1r9t n GLN 89 Cb -0.03 -1.08 -0.01 0.00 0.11 0.00 0.00 30.24 29.22 1r9t n GLN 89 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1r9t s GLN 90 N -1.16 3.63 -0.51 -1.09 -0.21 -1.24 -4.78 119.66 114.31 1r9t s GLN 90 Ca 0.00 0.28 0.05 0.00 0.02 0.00 0.00 55.36 55.71 1r9t s GLN 90 Cb 0.00 -2.40 0.38 0.00 1.00 0.00 0.00 33.01 31.99 1r9t s GLN 90 CO 0.00 -0.12 1.02 0.54 -2.12 0.00 0.00 175.29 174.60 1r9t n ARG 91 N -1.86 3.23 -3.40 2.91 5.12 -1.26 -4.98 116.66 116.42 1r9t n ARG 91 Ca 0.01 -4.63 -0.25 0.00 -1.93 0.00 0.00 57.85 51.04 1r9t n ARG 91 Cb 0.55 -2.21 -0.02 0.00 -1.16 0.00 0.00 32.46 29.62 1r9t n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1r9t s ARG 92 N -3.47 3.52 -0.04 5.56 3.52 -1.26 -4.99 118.95 121.78 1r9t s ARG 92 Ca 0.48 -0.26 -0.10 0.00 -0.13 0.00 0.00 55.73 55.72 1r9t s ARG 92 Cb 0.34 -2.68 -0.30 0.00 -1.56 0.00 0.00 34.95 30.75 1r9t s ARG 92 CO -0.16 0.19 0.70 0.87 -0.81 0.00 0.00 175.30 176.09 1r9t h LYS 93 N 1.07 0.37 -1.81 5.12 1.57 -2.05 -3.33 116.57 117.51 1r9t h LYS 93 Ca -0.49 -0.64 -0.11 0.00 -1.87 0.00 0.00 60.65 57.54 1r9t h LYS 93 Cb 1.21 0.24 -0.05 0.00 0.08 0.00 0.00 32.23 33.71 1r9t h LYS 93 CO 0.63 1.28 0.14 -0.40 -0.57 0.00 0.00 179.45 180.54 1r9t n ASP 94 N -3.57 5.65 -4.75 0.86 3.85 -1.26 -4.99 116.55 112.35 1r9t n ASP 94 Ca -0.23 -2.62 -0.23 0.00 -0.71 0.00 0.00 54.79 51.00 1r9t n ASP 94 Cb 1.07 -1.09 -0.06 0.00 -1.35 0.00 0.00 41.12 39.70 1r9t n ASP 94 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1r9t s THR 95 N -0.77 4.05 0.10 2.12 2.01 -1.25 -5.06 115.64 116.83 1r9t s THR 95 Ca 0.10 -1.58 -0.31 0.00 0.31 0.00 0.00 61.69 60.21 1r9t s THR 95 Cb 0.08 -3.17 -0.08 0.00 0.01 0.00 0.00 72.50 69.34 1r9t s THR 95 CO -0.00 -0.34 1.46 -0.94 -0.69 0.00 0.00 174.62 174.11 1r9t s SER 96 N -3.71 6.75 0.00 3.53 1.04 -1.26 -4.70 113.70 115.34 1r9t s SER 96 Ca 0.32 2.37 0.00 0.00 0.48 0.00 0.00 55.95 59.12 1r9t s SER 96 Cb -0.07 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1r9t s SER 96 CO 0.23 -0.73 0.42 0.80 0.98 0.00 0.00 173.24 174.94 1r9t n MET 97 N 4.42 0.42 -2.64 4.02 1.56 -1.26 -4.62 117.12 119.03 1r9t n MET 97 Ca 0.13 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.21 1r9t n MET 97 Cb 0.41 -1.29 -0.05 0.00 2.15 0.00 0.00 33.22 34.45 1r9t n MET 97 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1r9t s VAL 98 N 0.55 3.97 0.59 1.12 1.01 -1.26 -4.98 120.40 121.39 1r9t s VAL 98 Ca 0.00 1.31 -0.07 0.00 0.00 0.00 0.00 61.98 63.22 1r9t s VAL 98 Cb 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 1r9t s VAL 98 CO 0.00 -0.18 0.92 -0.76 0.00 0.00 0.00 175.10 175.08 1r9t s LEU 99 N -3.12 3.27 -0.01 3.92 1.43 -1.26 -3.67 118.68 119.24 1r9t s LEU 99 Ca 0.63 0.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 1r9t s LEU 99 Cb -0.16 -3.78 -0.00 0.00 0.03 0.00 0.00 46.19 42.28 1r9t s LEU 99 CO 0.20 -0.98 -0.05 -0.36 0.23 0.00 0.00 176.35 175.40 1r9t s PHE 100 N -3.01 0.46 0.18 0.29 0.40 -0.82 -2.29 117.98 113.19 1r9t s PHE 100 Ca 0.53 -0.09 0.09 0.00 -0.60 0.00 0.00 56.93 56.87 1r9t s PHE 100 Cb -0.11 -0.32 -0.04 0.00 0.51 0.00 0.00 43.02 43.06 1r9t s PHE 100 CO 0.47 -0.03 -0.20 -0.06 0.70 0.00 0.00 175.22 176.11 1r9t s PHE 101 N 0.01 1.96 -0.13 0.36 0.40 0.53 -2.88 117.98 118.24 1r9t s PHE 101 Ca 0.00 -0.44 -0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1r9t s PHE 101 Cb -0.03 -0.97 0.02 0.00 0.51 0.00 0.00 43.02 42.55 1r9t s PHE 101 CO -0.00 0.39 -0.10 0.08 0.70 0.00 0.00 175.22 176.29 1r9t s VAL 102 N -2.00 1.25 0.95 -0.44 1.01 -0.95 0.12 120.40 120.34 1r9t s VAL 102 Ca 0.18 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1r9t s VAL 102 Cb -0.06 -1.22 0.16 0.00 0.00 0.00 0.00 36.38 35.26 1r9t s VAL 102 CO 0.08 0.41 1.13 0.00 0.00 0.00 0.00 175.10 176.71 1r9t n LEU 104 N -3.93 0.00 -0.00 0.00 4.77 0.23 -3.73 117.00 114.33 1r9t n LEU 104 Ca 0.06 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.12 1r9t n LEU 104 Cb 0.59 0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.70 1r9t n LEU 104 CO 0.57 0.13 -0.44 -1.20 -1.33 0.00 0.00 177.39 175.12 1r9t n SER 105 N -2.21 1.08 -0.10 -1.43 7.64 -1.26 -4.58 113.62 112.76 1r9t n SER 105 Ca -0.10 -0.34 0.05 0.00 1.01 0.00 0.00 58.87 59.49 1r9t n SER 105 Cb 0.61 1.45 0.07 0.00 -1.01 0.00 0.00 64.21 65.33 1r9t n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r9t n SER 107 N -0.89 -0.02 -4.74 0.00 2.88 -1.24 -4.89 113.62 104.71 1r9t n SER 107 Ca 0.08 -0.12 -0.41 0.00 -1.33 0.00 0.00 58.87 57.10 1r9t n SER 107 Cb 0.53 -0.15 -0.04 0.00 -0.75 0.00 0.00 64.21 63.81 1r9t n SER 107 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1r9t s HIS 108 N -2.32 3.47 -0.05 0.66 5.65 -1.25 -4.76 115.29 116.68 1r9t s HIS 108 Ca 0.03 1.52 0.02 0.00 0.25 0.00 0.00 55.06 56.88 1r9t s HIS 108 Cb -0.02 -3.38 0.02 0.00 -1.18 0.00 0.00 32.58 28.02 1r9t s HIS 108 CO 0.09 -0.98 -0.08 0.42 -0.65 0.00 0.00 174.74 173.55 1r9t s ILE 109 N -0.44 0.81 0.22 0.89 1.09 -1.26 -1.75 121.20 120.77 1r9t s ILE 109 Ca 0.50 -0.29 0.01 0.00 -1.10 0.00 0.00 60.65 59.77 1r9t s ILE 109 Cb -0.32 -0.78 -0.05 0.00 -1.06 0.00 0.00 42.46 40.25 1r9t s ILE 109 CO 0.38 0.28 0.09 0.72 -0.10 0.00 0.00 174.94 176.32 1r9t s PHE 110 N 0.81 1.35 0.11 3.97 -0.12 0.32 -4.89 117.98 119.52 1r9t s PHE 110 Ca -0.13 -1.22 0.03 0.00 -0.05 0.00 0.00 56.93 55.56 1r9t s PHE 110 Cb -0.15 -0.75 -0.04 0.00 -0.63 0.00 0.00 43.02 41.45 1r9t s PHE 110 CO 0.02 -0.42 -0.08 0.99 -0.05 0.00 0.00 175.22 175.68 1r9t s THR 111 N -3.88 0.83 -0.79 -4.49 2.01 -1.26 -0.35 115.64 107.70 1r9t s THR 111 Ca 0.36 -1.94 0.25 0.00 0.31 0.00 0.00 61.69 60.67 1r9t s THR 111 Cb 0.07 -1.69 0.07 0.00 0.01 0.00 0.00 72.50 70.97 1r9t s THR 111 CO 0.11 -0.82 1.45 -1.54 -0.69 0.00 0.00 174.62 173.13 1r9t n SER 112 N -0.03 0.58 -4.71 3.53 3.41 -0.97 -4.92 113.62 110.51 1r9t n SER 112 Ca -0.12 0.08 -0.40 0.00 -0.26 0.00 0.00 58.87 58.18 1r9t n SER 112 Cb 0.60 0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.55 1r9t n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r9t s ASP 113 N -3.76 6.97 -0.21 4.04 -1.08 -1.26 -4.85 116.67 116.52 1r9t s ASP 113 Ca 0.09 1.17 0.06 0.00 -0.52 0.00 0.00 52.55 53.35 1r9t s ASP 113 Cb 0.15 -2.41 -0.17 0.00 -1.46 0.00 0.00 42.92 39.03 1r9t s ASP 113 CO 0.69 -0.15 -0.12 0.00 0.52 0.00 0.00 175.17 176.11 1r9t n GLN 114 N 3.96 0.73 0.00 4.34 6.02 -1.26 -4.85 117.38 126.32 1r9t n GLN 114 Ca -0.01 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1r9t n GLN 114 Cb 0.51 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.31 1r9t n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1r9t n LYS 115 N -3.01 0.19 0.00 -1.09 5.02 -1.26 -4.90 118.16 113.11 1r9t n LYS 115 Ca -0.37 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.92 1r9t n LYS 115 Cb 0.98 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.99 1r9t n LYS 115 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1r9t n ASN 116 N 0.00 0.00 -4.76 4.39 3.02 -1.26 -4.95 115.26 111.70 1r9t n ASN 116 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 1r9t n ASN 116 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1r9t n ASN 116 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1r9t s LYS 117 N 0.00 4.65 -0.08 3.52 1.02 -1.26 -4.97 119.74 122.62 1r9t s LYS 117 Ca 0.00 1.75 -0.03 0.00 0.02 0.00 0.00 55.97 57.71 1r9t s LYS 117 Cb 0.00 -3.18 0.05 0.00 -0.52 0.00 0.00 37.83 34.18 1r9t s LYS 117 CO 0.00 0.24 0.16 1.03 -0.92 0.00 0.00 175.35 175.86 1r9t s ARG 118 N -1.45 0.05 -0.02 1.68 0.52 -1.26 -5.08 118.95 113.38 1r9t s ARG 118 Ca 0.44 0.52 0.19 0.00 -0.52 0.00 0.00 55.73 56.37 1r9t s ARG 118 Cb -0.31 -0.25 -0.29 0.00 0.52 0.00 0.00 34.95 34.63 1r9t s ARG 118 CO 0.39 -0.28 0.49 2.41 0.02 0.00 0.00 175.30 178.34 1r9t n THR 119 N 5.07 0.00 0.00 0.02 -1.04 -1.26 -5.15 114.28 111.92 1r9t n THR 119 Ca -0.10 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 1r9t n THR 119 Cb 0.50 0.22 0.00 0.00 -1.82 0.00 0.00 70.33 69.23 1r9t n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43