#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r93 n THR 3 N 0.00 0.00 -1.25 12.58 -1.04 -1.26 -4.83 114.28 118.48 2r93 n THR 3 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 2r93 n THR 3 Cb 0.00 0.00 0.22 0.00 -1.82 0.00 0.00 70.33 68.73 2r93 n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2r93 s PHE 4 N -0.54 0.99 0.24 -1.42 -0.12 -1.26 -5.09 117.98 110.79 2r93 s PHE 4 Ca 0.00 0.55 0.02 0.00 -0.05 0.00 0.00 56.93 57.45 2r93 s PHE 4 Cb 0.00 -3.52 -0.05 0.00 -0.63 0.00 0.00 43.02 38.82 2r93 s PHE 4 CO 0.00 -3.48 0.07 0.50 -0.05 0.00 0.00 175.22 172.26 2r93 s ARG 5 N -5.41 1.36 0.32 1.99 3.52 -1.26 -5.15 118.95 114.32 2r93 s ARG 5 Ca 0.70 -1.72 0.10 0.00 -0.13 0.00 0.00 55.73 54.68 2r93 s ARG 5 Cb -0.10 -0.33 -0.06 0.00 -1.56 0.00 0.00 34.95 32.90 2r93 s ARG 5 CO 0.56 -0.24 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.63 2r93 s PHE 6 N -3.68 2.33 0.24 5.12 2.99 -1.26 -3.59 117.98 120.13 2r93 s PHE 6 Ca 0.34 -0.48 0.05 0.00 0.00 0.00 0.00 56.93 56.84 2r93 s PHE 6 Cb 0.07 -1.27 -0.03 0.00 0.00 0.00 0.00 43.02 41.79 2r93 s PHE 6 CO 0.11 0.58 0.34 0.00 -0.00 0.00 0.00 175.22 176.26 2r93 n ARG 8 N -1.37 1.76 0.00 0.00 1.74 -1.26 -2.99 116.66 114.54 2r93 n ARG 8 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2r93 n ARG 8 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 2r93 n ARG 8 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2r93 n ASP 9 N 0.00 0.00 -1.92 0.55 8.00 -1.26 -1.97 116.55 119.95 2r93 n ASP 9 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 2r93 n ASP 9 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.27 2r93 n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r93 n ASN 11 N -0.62 0.00 -0.55 0.00 5.15 -0.83 -4.92 115.26 113.48 2r93 n ASN 11 Ca 0.44 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.42 2r93 n ASN 11 Cb 1.37 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.62 2r93 n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2r93 n ASN 12 N 0.70 1.58 -4.85 1.20 5.03 -1.25 -4.90 115.26 112.76 2r93 n ASN 12 Ca 0.00 -0.31 -0.32 0.00 0.87 0.00 0.00 54.58 54.83 2r93 n ASN 12 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 2r93 n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 2r93 s MET 13 N 0.08 3.93 -0.31 3.52 -2.45 -1.26 -3.45 119.30 119.35 2r93 s MET 13 Ca 0.00 0.78 0.02 0.00 -1.25 0.00 0.00 55.69 55.24 2r93 s MET 13 Cb 0.00 -2.25 0.07 0.00 1.25 0.00 0.00 34.83 33.90 2r93 s MET 13 CO 0.00 -0.12 -0.01 -0.51 1.05 0.00 0.00 175.02 175.43 2r93 s LEU 14 N -3.79 4.12 -0.10 4.11 1.43 -1.24 -4.56 118.68 118.66 2r93 s LEU 14 Ca 0.56 -1.65 -0.19 0.00 -1.03 0.00 0.00 54.13 51.82 2r93 s LEU 14 Cb -0.10 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2r93 s LEU 14 CO 0.28 -0.30 0.53 -0.31 0.23 0.00 0.00 176.35 176.78 2r93 s TYR 15 N 1.08 3.55 0.42 0.29 1.51 -1.15 -4.62 117.35 118.42 2r93 s TYR 15 Ca -0.01 0.99 -0.21 0.00 -1.01 0.00 0.00 57.07 56.83 2r93 s TYR 15 Cb -0.20 -2.60 -0.11 0.00 -0.11 0.00 0.00 41.96 38.95 2r93 s TYR 15 CO -0.05 0.18 0.93 -1.25 -1.11 0.00 0.00 175.55 174.26 2r93 s PRO 16 N 0.54 4.24 0.11 -1.71 0.04 -1.26 -1.71 135.00 135.24 2r93 s PRO 16 Ca 0.28 1.10 -0.03 0.00 0.04 0.00 0.00 61.00 62.40 2r93 s PRO 16 Cb -0.16 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 2r93 s PRO 16 CO 0.12 0.00 0.07 1.03 0.04 0.00 0.00 177.00 178.27 2r93 s ARG 17 N -3.09 0.85 0.01 4.56 0.52 0.33 -4.96 118.95 117.18 2r93 s ARG 17 Ca 0.61 -1.29 -0.01 0.00 -0.52 0.00 0.00 55.73 54.52 2r93 s ARG 17 Cb -0.10 0.26 -0.04 0.00 0.52 0.00 0.00 34.95 35.59 2r93 s ARG 17 CO 0.14 -0.24 0.15 -2.00 0.02 0.00 0.00 175.30 173.37 2r93 s GLU 18 N -3.98 3.29 -1.00 3.54 2.12 -1.26 -1.96 118.70 119.44 2r93 s GLU 18 Ca 0.16 -0.42 -0.13 0.00 0.36 0.00 0.00 54.97 54.94 2r93 s GLU 18 Cb 0.07 -2.99 0.23 0.00 0.26 0.00 0.00 34.13 31.70 2r93 s GLU 18 CO -0.03 0.65 1.02 0.34 -0.54 0.00 0.00 175.26 176.70 2r93 s ASP 19 N -2.03 7.01 0.21 -1.70 -1.08 -0.84 -4.92 116.67 113.31 2r93 s ASP 19 Ca 0.28 -3.02 -0.11 0.00 -0.52 0.00 0.00 52.55 49.18 2r93 s ASP 19 Cb -0.12 -2.25 0.28 0.00 -1.46 0.00 0.00 42.92 39.36 2r93 s ASP 19 CO 0.19 -0.53 1.67 0.11 0.52 0.00 0.00 175.17 177.13 2r93 h LYS 20 N 7.38 0.14 -0.00 4.34 1.57 -1.96 0.17 116.57 128.20 2r93 h LYS 20 Ca 0.17 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2r93 h LYS 20 Cb 0.95 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2r93 h LYS 20 CO 0.95 0.09 -0.01 -1.91 -0.57 0.00 0.00 179.45 178.01 2r93 n GLU 21 N -5.25 0.38 0.00 3.15 2.13 -1.26 -4.00 120.64 115.79 2r93 n GLU 21 Ca 0.08 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.90 2r93 n GLU 21 Cb 0.34 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.55 2r93 n GLU 21 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2r93 n ASN 22 N -1.31 0.42 -3.10 4.31 3.02 -0.51 -5.07 115.26 113.03 2r93 n ASN 22 Ca 0.13 -0.71 -0.09 0.00 -0.03 0.00 0.00 54.58 53.88 2r93 n ASN 22 Cb 0.26 0.38 0.04 0.00 -0.61 0.00 0.00 39.78 39.85 2r93 n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2r93 n ASN 23 N -0.38 -6.82 -3.50 6.41 4.13 0.47 -5.04 115.26 110.54 2r93 n ASN 23 Ca 0.00 -0.45 -0.11 0.00 1.68 0.00 0.00 54.58 55.70 2r93 n ASN 23 Cb 0.03 -5.02 -0.03 0.00 -1.54 0.00 0.00 39.78 33.21 2r93 n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2r93 s ARG 24 N -3.84 0.92 0.01 3.52 1.70 -1.24 -5.02 118.95 115.00 2r93 s ARG 24 Ca 0.28 -0.19 -0.22 0.00 -0.47 0.00 0.00 55.73 55.13 2r93 s ARG 24 Cb -0.04 0.43 -0.05 0.00 -0.57 0.00 0.00 34.95 34.72 2r93 s ARG 24 CO 0.71 -0.37 0.67 -1.17 -1.08 0.00 0.00 175.30 174.05 2r93 s LEU 25 N -2.13 4.42 -0.10 -1.89 2.96 -1.26 -1.98 118.68 118.69 2r93 s LEU 25 Ca 0.01 1.27 -0.01 0.00 -0.22 0.00 0.00 54.13 55.17 2r93 s LEU 25 Cb -0.01 -3.05 0.03 0.00 0.50 0.00 0.00 46.19 43.66 2r93 s LEU 25 CO -0.06 0.05 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.24 2r93 s LEU 26 N -0.05 0.90 0.57 -0.68 1.43 -0.83 -0.02 118.68 120.01 2r93 s LEU 26 Ca 0.34 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 53.12 2r93 s LEU 26 Cb -0.19 -0.62 -0.01 0.00 0.03 0.00 0.00 46.19 45.40 2r93 s LEU 26 CO 0.19 -0.18 0.91 -0.36 0.23 0.00 0.00 176.35 177.14 2r93 s PHE 27 N 1.85 3.43 0.00 0.29 2.99 -0.68 -0.51 117.98 125.35 2r93 s PHE 27 Ca 0.04 0.86 0.00 0.00 0.00 0.00 0.00 56.93 57.83 2r93 s PHE 27 Cb -0.13 -2.62 0.00 0.00 0.00 0.00 0.00 43.02 40.27 2r93 s PHE 27 CO -0.07 -0.65 0.00 -0.85 -0.00 0.00 0.00 175.22 173.65 2r93 n GLU 28 N -2.55 0.00 -4.07 0.44 0.28 -0.69 -2.06 120.64 111.98 2r93 n GLU 28 Ca 0.04 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.90 2r93 n GLU 28 Cb 0.56 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.31 2r93 n GLU 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2r93 n ARG 30 N 1.66 1.63 0.03 0.00 1.74 -1.26 -4.60 116.66 115.86 2r93 n ARG 30 Ca -0.22 -3.28 -0.01 0.00 -0.77 0.00 0.00 57.85 53.58 2r93 n ARG 30 Cb 0.55 -1.66 -0.00 0.00 -1.02 0.00 0.00 32.46 30.33 2r93 n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2r93 n THR 31 N -1.12 1.19 0.00 0.55 -1.04 -1.26 -5.07 114.28 107.52 2r93 n THR 31 Ca 0.22 0.36 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 2r93 n THR 31 Cb 0.76 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 2r93 n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2r93 n SER 33 N 0.00 0.01 -3.81 0.00 7.64 -1.26 -4.95 113.62 111.25 2r93 n SER 33 Ca 0.00 -0.02 -0.38 0.00 1.01 0.00 0.00 58.87 59.48 2r93 n SER 33 Cb 0.00 0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.23 2r93 n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2r93 n TYR 34 N -0.04 -1.44 -3.59 1.43 -0.00 -1.26 -4.77 117.16 107.49 2r93 n TYR 34 Ca 0.00 0.64 -0.05 0.00 -0.00 0.00 0.00 57.90 58.49 2r93 n TYR 34 Cb 0.00 -1.61 -0.07 0.00 -0.00 0.00 0.00 39.34 37.66 2r93 n TYR 34 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2r93 s VAL 35 N -1.30 -0.81 0.45 2.97 1.01 -1.26 -2.88 120.40 118.58 2r93 s VAL 35 Ca 0.53 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.65 2r93 s VAL 35 Cb -0.64 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 2r93 s VAL 35 CO 0.54 0.02 0.20 -1.83 0.00 0.00 0.00 175.10 174.02 2r93 s GLU 36 N 2.74 2.22 0.70 2.72 -1.05 -0.87 -4.99 118.70 120.16 2r93 s GLU 36 Ca -0.00 -1.96 -0.02 0.00 -0.15 0.00 0.00 54.97 52.84 2r93 s GLU 36 Cb -0.13 -1.94 0.10 0.00 -0.44 0.00 0.00 34.13 31.73 2r93 s GLU 36 CO -0.16 -0.25 0.97 -1.83 0.95 0.00 0.00 175.26 174.94 2r93 s GLU 37 N -3.97 1.85 -0.09 -4.83 -1.05 -1.26 -1.69 118.70 107.66 2r93 s GLU 37 Ca 0.35 -0.92 -0.29 0.00 -0.15 0.00 0.00 54.97 53.95 2r93 s GLU 37 Cb 0.02 -2.32 -0.05 0.00 -0.44 0.00 0.00 34.13 31.34 2r93 s GLU 37 CO 0.19 -1.33 1.73 0.00 0.95 0.00 0.00 175.26 176.81 2r93 s ALA 38 N -3.12 3.48 0.10 -0.84 0.00 0.98 -4.51 121.76 117.84 2r93 s ALA 38 Ca 0.64 0.88 -0.02 0.00 0.00 0.00 0.00 51.96 53.46 2r93 s ALA 38 Cb -0.07 -3.81 -0.23 0.00 0.00 0.00 0.00 23.12 19.02 2r93 s ALA 38 CO 0.44 -1.64 1.20 0.78 0.00 0.00 0.00 175.76 176.54 2r93 h GLY 39 N 10.94 0.28 -4.01 0.00 0.00 -1.96 -3.47 103.07 104.85 2r93 h GLY 39 Ca -0.40 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.20 2r93 h GLY 39 CO 0.96 0.58 -0.00 -0.45 0.00 0.00 0.00 176.54 177.63 2r93 s SER 40 N -7.07 -0.44 0.00 0.19 0.15 -1.26 -5.05 113.70 100.22 2r93 s SER 40 Ca -0.03 0.33 0.14 0.00 0.70 0.00 0.00 55.95 57.09 2r93 s SER 40 Cb 0.08 0.46 0.63 0.00 -1.71 0.00 0.00 66.02 65.47 2r93 s SER 40 CO 0.87 -0.60 1.45 -0.81 1.20 0.00 0.00 173.24 175.34 2r93 n PRO 41 N 0.83 0.04 -2.98 5.44 -0.04 -1.26 -4.75 135.00 132.28 2r93 n PRO 41 Ca -0.19 0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 2r93 n PRO 41 Cb 0.58 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 2r93 n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2r93 s LEU 42 N -2.93 4.17 -0.09 1.53 2.96 -1.26 -4.97 118.68 118.10 2r93 s LEU 42 Ca 0.08 1.05 0.08 0.00 -0.22 0.00 0.00 54.13 55.12 2r93 s LEU 42 Cb 0.09 -3.10 -0.11 0.00 0.50 0.00 0.00 46.19 43.57 2r93 s LEU 42 CO 0.25 -0.34 0.04 0.52 -1.32 0.00 0.00 176.35 175.50 2r93 n VAL 43 N 4.68 0.59 -3.72 1.68 0.31 -1.26 -4.95 118.33 115.66 2r93 n VAL 43 Ca 0.02 -0.37 -0.13 0.00 -0.01 0.00 0.00 64.34 63.84 2r93 n VAL 43 Cb 0.49 -0.72 -0.09 0.00 -0.91 0.00 0.00 33.84 32.61 2r93 n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2r93 s TYR 44 N -2.23 -0.42 -0.05 3.52 5.04 -1.26 -5.07 117.35 116.87 2r93 s TYR 44 Ca -0.04 0.98 -0.02 0.00 -2.44 0.00 0.00 57.07 55.54 2r93 s TYR 44 Cb 0.03 0.16 0.03 0.00 0.35 0.00 0.00 41.96 42.53 2r93 s TYR 44 CO 0.37 -0.28 0.11 0.50 -1.34 0.00 0.00 175.55 174.91 2r93 s ARG 45 N -0.15 0.07 -0.24 4.97 3.52 -1.26 -5.06 118.95 120.80 2r93 s ARG 45 Ca -0.03 0.27 -0.16 0.00 -0.13 0.00 0.00 55.73 55.68 2r93 s ARG 45 Cb -0.03 -0.13 -0.12 0.00 -1.56 0.00 0.00 34.95 33.11 2r93 s ARG 45 CO 0.02 -0.12 -0.23 1.58 -0.81 0.00 0.00 175.30 175.73 2r93 n HIS 46 N 3.88 0.27 -2.27 5.12 -0.00 -1.26 -5.10 115.22 115.85 2r93 n HIS 46 Ca -0.23 0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 2r93 n HIS 46 Cb 0.53 -0.91 0.00 0.00 -0.00 0.00 0.00 29.99 29.61 2r93 n HIS 46 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2r93 n GLU 47 N -4.35 -5.20 -0.06 1.57 2.13 -1.26 -5.02 120.64 108.45 2r93 n GLU 47 Ca -0.40 3.73 -0.06 0.00 0.66 0.00 0.00 57.16 61.09 2r93 n GLU 47 Cb 0.74 -4.48 -0.02 0.00 0.27 0.00 0.00 31.44 27.95 2r93 n GLU 47 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2r93 n LEU 48 N 1.90 1.37 -4.57 4.31 4.77 -1.26 -4.71 117.00 118.82 2r93 n LEU 48 Ca 0.00 0.25 -0.39 0.00 -0.03 0.00 0.00 56.01 55.84 2r93 n LEU 48 Cb 0.00 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 2r93 n LEU 48 CO 0.00 -0.34 1.61 -0.63 -1.33 0.00 0.00 177.39 176.69 2r93 s ILE 49 N -2.33 3.90 0.99 -0.08 1.01 -1.26 -4.96 121.20 118.47 2r93 s ILE 49 Ca -0.20 -1.05 -0.12 0.00 0.00 0.00 0.00 60.65 59.27 2r93 s ILE 49 Cb 0.03 -4.95 0.19 0.00 0.01 0.00 0.00 42.46 37.73 2r93 s ILE 49 CO 0.30 -1.80 1.09 -0.89 0.00 0.00 0.00 174.94 173.64 2r93 s THR 50 N 5.69 2.10 0.00 2.92 2.01 -1.26 -5.00 115.64 122.10 2r93 s THR 50 Ca 0.52 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.55 2r93 s THR 50 Cb 0.00 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.99 2r93 s THR 50 CO -0.03 -0.04 0.00 0.59 -0.69 0.00 0.00 174.62 174.45 2r93 n ASN 51 N -4.17 0.00 -4.50 3.53 4.13 -1.26 -5.08 115.26 107.91 2r93 n ASN 51 Ca 0.05 -1.00 -0.43 0.00 1.68 0.00 0.00 54.58 54.88 2r93 n ASN 51 Cb 0.57 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.74 2r93 n ASN 51 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2r93 s ILE 52 N 0.00 4.83 0.00 2.41 -4.36 -1.26 -3.66 121.20 119.16 2r93 s ILE 52 Ca 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 60.65 60.38 2r93 s ILE 52 Cb 0.00 -4.23 0.00 0.00 1.25 0.00 0.00 42.46 39.48 2r93 s ILE 52 CO 0.00 -0.65 0.00 0.61 0.24 0.00 0.00 174.94 175.14 2r93 n GLY 53 N 5.07 0.12 0.06 6.27 0.00 -1.26 -4.98 105.19 110.47 2r93 n GLY 53 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 2r93 n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2r93 n GLU 54 N 0.00 0.03 -2.70 1.61 1.02 -1.24 -1.99 120.64 117.37 2r93 n GLU 54 Ca 0.00 0.39 -0.07 0.00 -0.02 0.00 0.00 57.16 57.46 2r93 n GLU 54 Cb 0.00 -1.84 0.11 0.00 -0.02 0.00 0.00 31.44 29.69 2r93 n GLU 54 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2r93 n THR 55 N -1.57 0.00 -1.65 2.62 -1.04 -1.26 -3.79 114.28 107.59 2r93 n THR 55 Ca -0.00 -1.46 -0.47 0.00 -2.04 0.00 0.00 64.05 60.07 2r93 n THR 55 Cb 0.25 1.02 -0.05 0.00 -1.82 0.00 0.00 70.33 69.74 2r93 n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2r93 n ALA 56 N -0.51 0.83 -1.90 2.41 0.00 -0.84 -4.47 120.51 116.03 2r93 n ALA 56 Ca -0.03 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2r93 n ALA 56 Cb 0.83 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.98 2r93 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r93 n GLY 57 N 3.26 -3.56 2.37 0.00 0.00 -1.26 -4.99 105.19 101.01 2r93 n GLY 57 Ca 0.18 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 2r93 n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2r93 n VAL 58 N 1.61 -0.02 -0.87 1.61 0.31 -1.26 -5.11 118.33 114.61 2r93 n VAL 58 Ca 0.00 -3.65 -0.34 0.00 -0.01 0.00 0.00 64.34 60.34 2r93 n VAL 58 Cb 0.00 0.26 0.09 0.00 -0.91 0.00 0.00 33.84 33.29 2r93 n VAL 58 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2r93 n VAL 59 N 0.24 0.00 1.27 2.52 0.31 -1.26 -4.76 118.33 116.65 2r93 n VAL 59 Ca 0.18 -0.30 0.04 0.00 -0.01 0.00 0.00 64.34 64.25 2r93 n VAL 59 Cb 0.69 -0.36 0.22 0.00 -0.91 0.00 0.00 33.84 33.48 2r93 n VAL 59 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2r93 n GLN 60 N -0.01 0.63 -0.20 5.55 -0.06 -1.26 -1.75 117.38 120.28 2r93 n GLN 60 Ca 0.02 0.00 0.10 0.00 -2.00 0.00 0.00 57.00 55.12 2r93 n GLN 60 Cb 0.57 -1.18 0.20 0.00 -4.06 0.00 0.00 30.24 25.77 2r93 n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2r93 n ASP 61 N -0.68 3.26 -0.36 1.69 8.00 -1.26 -4.49 116.55 122.71 2r93 n ASP 61 Ca 0.05 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.62 2r93 n ASP 61 Cb 0.03 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 2r93 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r93 n ILE 62 N 1.19 0.00 0.00 0.53 3.06 -0.72 -1.28 119.36 122.14 2r93 n ILE 62 Ca 0.17 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.42 2r93 n ILE 62 Cb 0.53 -0.27 0.00 0.00 0.54 0.00 0.00 39.64 40.44 2r93 n ILE 62 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2r93 n GLY 63 N 0.17 0.50 0.65 4.50 0.00 -1.26 -4.64 105.19 105.10 2r93 n GLY 63 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2r93 n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2r93 n SER 64 N -0.84 1.96 -4.40 1.61 3.41 -0.40 -4.76 113.62 110.20 2r93 n SER 64 Ca 0.00 -1.73 -0.44 0.00 -0.26 0.00 0.00 58.87 56.43 2r93 n SER 64 Cb 0.00 -0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 63.78 2r93 n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2r93 s ASP 65 N -1.65 6.18 0.48 4.04 -1.08 -1.23 -4.95 116.67 118.46 2r93 s ASP 65 Ca 0.34 -1.26 0.22 0.00 -0.52 0.00 0.00 52.55 51.33 2r93 s ASP 65 Cb 0.19 -2.23 1.22 0.00 -1.46 0.00 0.00 42.92 40.63 2r93 s ASP 65 CO 0.28 -0.80 2.01 1.55 0.52 0.00 0.00 175.17 178.73 2r93 h PRO 66 N 8.90 0.00 -0.04 4.34 0.13 -1.96 -3.08 132.00 140.29 2r93 h PRO 66 Ca -0.28 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.86 2r93 h PRO 66 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2r93 h PRO 66 CO 0.95 0.17 0.14 1.79 -0.23 0.00 0.00 178.00 180.83 2r93 h THR 67 N 0.00 0.12 -3.99 1.56 1.35 -1.99 -3.42 112.91 106.53 2r93 h THR 67 Ca -0.00 0.00 -0.49 0.00 -0.55 0.00 0.00 66.41 65.37 2r93 h THR 67 Cb 0.38 0.86 0.03 0.00 -1.73 0.00 0.00 68.15 67.69 2r93 h THR 67 CO 0.02 0.00 0.27 -0.76 -0.25 0.00 0.00 175.52 174.80 2r93 s LEU 68 N -6.39 3.60 0.41 3.87 1.43 -1.16 -5.08 118.68 115.35 2r93 s LEU 68 Ca -0.04 1.31 -0.03 0.00 -1.03 0.00 0.00 54.13 54.34 2r93 s LEU 68 Cb 0.12 -4.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 2r93 s LEU 68 CO 0.40 -0.59 0.67 -2.16 0.23 0.00 0.00 176.35 174.90 2r93 s PRO 69 N -4.35 3.53 0.24 1.29 0.04 -1.26 -5.02 135.00 129.47 2r93 s PRO 69 Ca 0.54 -0.04 0.11 0.00 0.04 0.00 0.00 61.00 61.65 2r93 s PRO 69 Cb -0.10 -2.52 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 2r93 s PRO 69 CO 0.38 -0.02 -0.17 1.03 0.04 0.00 0.00 177.00 178.26 2r93 s ARG 70 N -4.46 1.76 0.05 4.56 1.81 -1.26 -3.11 118.95 118.30 2r93 s ARG 70 Ca 0.44 -1.60 0.01 0.00 -1.72 0.00 0.00 55.73 52.86 2r93 s ARG 70 Cb -0.10 -1.89 -0.03 0.00 -0.45 0.00 0.00 34.95 32.48 2r93 s ARG 70 CO 0.40 0.37 -0.06 -1.54 -0.68 0.00 0.00 175.30 173.79 2r93 s SER 71 N -3.23 0.73 -0.73 0.23 1.04 -0.68 -4.96 113.70 106.10 2r93 s SER 71 Ca 0.27 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 55.99 2r93 s SER 71 Cb -0.06 0.09 0.36 0.00 0.10 0.00 0.00 66.02 66.51 2r93 s SER 71 CO 0.14 -0.36 1.58 -0.90 0.98 0.00 0.00 173.24 174.68 2r93 n ASP 72 N 0.90 6.27 -3.95 7.02 5.75 -1.26 -3.15 116.55 128.12 2r93 n ASP 72 Ca -0.19 -3.76 -0.15 0.00 -0.01 0.00 0.00 54.79 50.68 2r93 n ASP 72 Cb 0.57 -0.84 0.02 0.00 -1.03 0.00 0.00 41.12 39.84 2r93 n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2r93 n ARG 73 N -0.39 0.83 -4.76 0.11 1.74 -1.26 -4.99 116.66 107.95 2r93 n ARG 73 Ca 0.45 -2.22 -0.26 0.00 -0.77 0.00 0.00 57.85 55.05 2r93 n ARG 73 Cb 0.38 0.04 -0.16 0.00 -1.02 0.00 0.00 32.46 31.69 2r93 n ARG 73 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2r93 s GLU 74 N -3.66 1.89 0.85 5.56 -1.05 -1.26 -3.75 118.70 117.29 2r93 s GLU 74 Ca 0.31 -0.54 -0.11 0.00 -0.15 0.00 0.00 54.97 54.48 2r93 s GLU 74 Cb -0.02 -1.56 0.10 0.00 -0.44 0.00 0.00 34.13 32.20 2r93 s GLU 74 CO 0.20 0.13 1.10 0.00 0.95 0.00 0.00 175.26 177.64 2r93 n PRO 76 N -3.82 0.12 0.00 0.00 -0.02 -1.26 -3.83 135.00 126.19 2r93 n PRO 76 Ca 0.09 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2r93 n PRO 76 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 2r93 n PRO 76 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2r93 n LYS 77 N -1.29 0.00 0.00 -0.52 5.02 -1.26 -4.89 118.16 115.21 2r93 n LYS 77 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2r93 n LYS 77 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 2r93 n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2r93 n HIS 79 N 0.02 -0.51 -0.16 0.00 8.25 -1.25 -4.88 115.22 116.68 2r93 n HIS 79 Ca 0.00 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 2r93 n HIS 79 Cb 0.08 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 30.43 2r93 n HIS 79 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2r93 n SER 80 N -0.58 -0.15 -0.47 0.41 7.64 -1.26 -4.78 113.62 114.43 2r93 n SER 80 Ca 0.05 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2r93 n SER 80 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2r93 n SER 80 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2r93 n ARG 81 N -0.31 0.00 -3.92 1.43 1.74 -1.25 -3.99 116.66 110.36 2r93 n ARG 81 Ca 0.00 -0.50 -0.30 0.00 -0.77 0.00 0.00 57.85 56.28 2r93 n ARG 81 Cb 0.00 -0.26 -0.14 0.00 -1.02 0.00 0.00 32.46 31.04 2r93 n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2r93 s GLU 82 N 0.00 1.64 0.03 5.56 2.02 -1.26 -4.43 118.70 122.26 2r93 s GLU 82 Ca 0.00 -2.21 0.07 0.00 0.02 0.00 0.00 54.97 52.85 2r93 s GLU 82 Cb 0.00 -3.05 -0.03 0.00 0.10 0.00 0.00 34.13 31.14 2r93 s GLU 82 CO 0.00 -1.06 -0.19 -0.80 0.02 0.00 0.00 175.26 173.23 2r93 s ASN 83 N 0.29 3.70 -0.24 -0.19 0.01 -1.19 -2.38 114.94 114.93 2r93 s ASN 83 Ca 0.15 -0.43 0.02 0.00 -0.71 0.00 0.00 52.86 51.89 2r93 s ASN 83 Cb -0.23 -0.58 0.05 0.00 0.41 0.00 0.00 41.25 40.90 2r93 s ASN 83 CO -0.04 0.27 -0.12 0.54 -1.51 0.00 0.00 177.10 176.24 2r93 s VAL 84 N -0.87 2.10 0.36 1.60 0.11 -0.93 -1.69 120.40 121.07 2r93 s VAL 84 Ca 0.14 -1.48 0.08 0.00 -2.93 0.00 0.00 61.98 57.79 2r93 s VAL 84 Cb -0.10 -2.16 -0.04 0.00 -1.53 0.00 0.00 36.38 32.54 2r93 s VAL 84 CO 0.04 0.07 0.17 0.72 -3.33 0.00 0.00 175.10 172.77 2r93 s PHE 85 N 1.16 2.70 0.00 1.54 -0.00 -1.18 -2.93 117.98 119.26 2r93 s PHE 85 Ca -0.06 -0.42 0.00 0.00 -0.00 0.00 0.00 56.93 56.45 2r93 s PHE 85 Cb -0.19 -1.74 0.00 0.00 -0.00 0.00 0.00 43.02 41.09 2r93 s PHE 85 CO -0.07 0.27 0.00 1.97 -0.00 0.00 0.00 175.22 177.39 2r93 n PHE 86 N -1.20 0.00 -4.35 3.49 1.16 -1.04 -4.33 117.46 111.18 2r93 n PHE 86 Ca -0.02 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.36 2r93 n PHE 86 Cb 0.62 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.39 2r93 n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2r93 s GLN 87 N 1.35 1.35 0.03 3.97 -0.21 -1.26 -2.85 119.66 122.03 2r93 s GLN 87 Ca 0.00 -1.57 -0.39 0.00 0.02 0.00 0.00 55.36 53.42 2r93 s GLN 87 Cb 0.00 -1.21 -0.19 0.00 1.00 0.00 0.00 33.01 32.61 2r93 s GLN 87 CO 0.00 0.21 1.14 0.45 -2.12 0.00 0.00 175.29 174.98 2r93 n SER 88 N -0.27 0.47 0.01 5.90 2.88 -1.26 -4.82 113.62 116.53 2r93 n SER 88 Ca -0.09 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.73 2r93 n SER 88 Cb 0.60 -1.00 0.47 0.00 -0.75 0.00 0.00 64.21 63.53 2r93 n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2r93 n GLN 89 N 1.79 0.04 -2.24 -1.46 1.13 -1.25 -4.66 117.38 110.73 2r93 n GLN 89 Ca 0.19 0.02 -0.40 0.00 -1.94 0.00 0.00 57.00 54.88 2r93 n GLN 89 Cb 0.12 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 28.90 2r93 n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2r93 s GLN 90 N -3.02 2.86 -0.90 -1.09 0.74 -1.25 -4.89 119.66 112.10 2r93 s GLN 90 Ca 0.12 0.30 -0.25 0.00 0.05 0.00 0.00 55.36 55.58 2r93 s GLN 90 Cb 0.18 -4.30 -0.09 0.00 1.10 0.00 0.00 33.01 29.90 2r93 s GLN 90 CO 0.59 -2.49 2.10 1.03 -0.55 0.00 0.00 175.29 175.98 2r93 s ARG 91 N 6.50 2.17 0.02 1.67 1.81 -1.26 -4.90 118.95 124.95 2r93 s ARG 91 Ca 0.55 -0.13 0.01 0.00 -1.72 0.00 0.00 55.73 54.43 2r93 s ARG 91 Cb -0.11 -4.99 -0.01 0.00 -0.45 0.00 0.00 34.95 29.39 2r93 s ARG 91 CO 0.19 -3.90 -0.03 0.50 -0.68 0.00 0.00 175.30 171.38 2r93 s ARG 92 N 7.64 0.28 0.08 3.54 3.52 -1.26 -5.08 118.95 127.68 2r93 s ARG 92 Ca 0.78 -0.43 -0.32 0.00 -0.13 0.00 0.00 55.73 55.62 2r93 s ARG 92 Cb -0.08 -0.05 -0.17 0.00 -1.56 0.00 0.00 34.95 33.10 2r93 s ARG 92 CO 0.04 -0.00 1.63 0.87 -0.81 0.00 0.00 175.30 177.03 2r93 h LYS 93 N 5.16 -0.79 -0.63 5.12 1.57 -2.03 -3.13 116.57 121.84 2r93 h LYS 93 Ca -0.30 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.56 2r93 h LYS 93 Cb 1.21 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.66 2r93 h LYS 93 CO 0.44 -0.53 0.42 0.38 -0.57 0.00 0.00 179.45 179.60 2r93 h ASP 94 N -0.82 0.67 -0.71 0.86 2.03 -1.98 -3.45 116.42 113.02 2r93 h ASP 94 Ca -0.07 -0.01 -0.35 0.00 -0.73 0.00 0.00 57.03 55.87 2r93 h ASP 94 Cb 0.66 -0.16 0.07 0.00 -0.83 0.00 0.00 39.33 39.07 2r93 h ASP 94 CO 0.07 0.47 -0.39 0.41 -1.03 0.00 0.00 179.24 178.77 2r93 n THR 95 N -4.46 0.75 -2.12 1.15 -1.04 -1.18 -4.95 114.28 102.44 2r93 n THR 95 Ca 0.07 -0.27 -0.28 0.00 -2.04 0.00 0.00 64.05 61.53 2r93 n THR 95 Cb 0.10 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 68.76 2r93 n THR 95 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2r93 s SER 96 N -0.54 3.68 -0.53 8.00 1.04 -1.26 -5.03 113.70 119.05 2r93 s SER 96 Ca 0.33 0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.96 2r93 s SER 96 Cb -0.43 -0.38 0.40 0.00 0.10 0.00 0.00 66.02 65.71 2r93 s SER 96 CO 0.32 -2.35 1.29 0.23 0.98 0.00 0.00 173.24 173.71 2r93 n MET 97 N -3.42 3.31 -2.64 4.02 2.81 -1.26 -4.73 117.12 115.21 2r93 n MET 97 Ca 0.14 -4.34 -0.26 0.00 -1.81 0.00 0.00 57.70 51.43 2r93 n MET 97 Cb 0.60 -2.26 0.01 0.00 -0.71 0.00 0.00 33.22 30.87 2r93 n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2r93 s VAL 98 N -5.39 4.28 0.05 2.03 1.01 -1.26 -5.07 120.40 116.04 2r93 s VAL 98 Ca 0.49 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2r93 s VAL 98 Cb 0.40 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2r93 s VAL 98 CO -0.23 -0.60 0.03 -0.76 0.00 0.00 0.00 175.10 173.54 2r93 s LEU 99 N -4.79 3.61 -0.17 3.92 1.43 -1.26 -4.38 118.68 117.05 2r93 s LEU 99 Ca 0.50 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 2r93 s LEU 99 Cb -0.10 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.92 2r93 s LEU 99 CO 0.43 0.22 -0.20 -0.36 0.23 0.00 0.00 176.35 176.67 2r93 s PHE 100 N -1.24 2.73 0.07 0.29 0.40 -1.13 -1.93 117.98 117.16 2r93 s PHE 100 Ca 0.24 -1.56 0.04 0.00 -0.60 0.00 0.00 56.93 55.06 2r93 s PHE 100 Cb -0.12 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.49 2r93 s PHE 100 CO 0.16 -0.75 -0.02 -0.06 0.70 0.00 0.00 175.22 175.25 2r93 s PHE 101 N 1.17 2.96 -0.05 0.36 0.40 -0.49 -2.49 117.98 119.84 2r93 s PHE 101 Ca 0.02 -0.02 0.02 0.00 -0.60 0.00 0.00 56.93 56.34 2r93 s PHE 101 Cb -0.14 -1.56 0.01 0.00 0.51 0.00 0.00 43.02 41.85 2r93 s PHE 101 CO -0.10 0.46 -0.09 0.08 0.70 0.00 0.00 175.22 176.26 2r93 s VAL 102 N -1.23 0.91 0.39 -0.44 1.01 -1.15 -2.89 120.40 117.00 2r93 s VAL 102 Ca 0.23 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.72 2r93 s VAL 102 Cb -0.12 -0.85 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 2r93 s VAL 102 CO 0.15 0.30 0.79 0.00 0.00 0.00 0.00 175.10 176.35 2r93 n LEU 104 N -0.93 2.01 -2.51 0.00 4.77 -1.00 -3.29 117.00 116.05 2r93 n LEU 104 Ca 0.04 -0.71 -0.18 0.00 -0.03 0.00 0.00 56.01 55.12 2r93 n LEU 104 Cb 0.54 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 2r93 n LEU 104 CO 0.44 0.36 0.07 -1.20 -1.33 0.00 0.00 177.39 175.73 2r93 n SER 105 N 0.57 3.39 0.00 -1.43 7.64 -1.26 -4.87 113.62 117.66 2r93 n SER 105 Ca 0.17 -3.24 0.00 0.00 1.01 0.00 0.00 58.87 56.82 2r93 n SER 105 Cb 0.43 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2r93 n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2r93 n SER 107 N 0.00 -1.13 -4.60 0.00 7.64 -1.21 -5.04 113.62 109.28 2r93 n SER 107 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 2r93 n SER 107 Cb 0.00 -0.32 0.12 0.00 -1.01 0.00 0.00 64.21 63.00 2r93 n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2r93 s HIS 108 N -2.49 2.29 -0.38 1.43 5.65 -1.26 -4.89 115.29 115.63 2r93 s HIS 108 Ca 0.00 0.40 0.13 0.00 0.25 0.00 0.00 55.06 55.84 2r93 s HIS 108 Cb 0.00 -3.59 0.40 0.00 -1.18 0.00 0.00 32.58 28.21 2r93 s HIS 108 CO 0.00 -2.00 0.88 -0.89 -0.65 0.00 0.00 174.74 172.09 2r93 n ILE 109 N -3.33 0.91 -2.31 0.89 5.41 -1.26 -3.97 119.36 115.71 2r93 n ILE 109 Ca 0.11 -4.10 -0.33 0.00 1.00 0.00 0.00 62.75 59.43 2r93 n ILE 109 Cb 0.60 -0.11 -0.02 0.00 -0.71 0.00 0.00 39.64 39.41 2r93 n ILE 109 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 2r93 s PHE 110 N -2.94 3.12 0.45 1.39 -0.12 -1.14 -4.81 117.98 113.93 2r93 s PHE 110 Ca 0.36 1.52 0.05 0.00 -0.05 0.00 0.00 56.93 58.82 2r93 s PHE 110 Cb 0.39 -2.96 0.05 0.00 -0.63 0.00 0.00 43.02 39.87 2r93 s PHE 110 CO -0.05 -0.80 0.42 2.41 -0.05 0.00 0.00 175.22 177.15 2r93 n THR 111 N -1.56 0.00 -1.13 -4.49 -1.04 -1.26 -1.40 114.28 103.39 2r93 n THR 111 Ca 0.08 -1.69 0.06 0.00 -2.04 0.00 0.00 64.05 60.46 2r93 n THR 111 Cb 0.53 -0.26 0.22 0.00 -1.82 0.00 0.00 70.33 69.01 2r93 n THR 111 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2r93 n SER 112 N -2.03 3.21 -4.56 8.00 2.88 -0.81 -4.89 113.62 115.42 2r93 n SER 112 Ca 0.02 -3.24 -0.30 0.00 -1.33 0.00 0.00 58.87 54.02 2r93 n SER 112 Cb 0.50 -0.55 -0.04 0.00 -0.75 0.00 0.00 64.21 63.37 2r93 n SER 112 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2r93 s ASP 113 N -2.29 4.99 -0.06 -3.46 1.01 -1.26 -4.79 116.67 110.81 2r93 s ASP 113 Ca 0.41 -0.08 0.01 0.00 0.71 0.00 0.00 52.55 53.60 2r93 s ASP 113 Cb 0.35 -2.54 0.12 0.00 1.01 0.00 0.00 42.92 41.86 2r93 s ASP 113 CO 0.05 -2.74 1.00 0.00 0.21 0.00 0.00 175.17 173.68 2r93 n GLN 114 N 8.99 1.37 0.00 8.23 6.02 -1.26 -1.73 117.38 139.00 2r93 n GLN 114 Ca 0.33 -0.52 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 2r93 n GLN 114 Cb 0.49 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.40 2r93 n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2r93 n LYS 115 N 0.18 -0.30 -4.49 -1.09 5.02 -1.26 -5.03 118.16 111.18 2r93 n LYS 115 Ca 0.08 -0.34 -0.40 0.00 -2.02 0.00 0.00 58.31 55.63 2r93 n LYS 115 Cb 0.60 -0.76 -0.08 0.00 -0.02 0.00 0.00 35.03 34.76 2r93 n LYS 115 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2r93 n ASN 116 N -0.03 -1.21 0.00 4.39 3.02 -0.70 -5.28 115.26 115.44 2r93 n ASN 116 Ca 0.00 -1.25 0.13 0.00 -0.03 0.00 0.00 54.58 53.43 2r93 n ASN 116 Cb 0.15 -1.61 0.80 0.00 -0.61 0.00 0.00 39.78 38.50 2r93 n ASN 116 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93