#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4m n THR 3 N 0.00 0.00 -2.61 12.58 -1.04 -1.26 -4.88 114.28 117.07 3i4m n THR 3 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 3i4m n THR 3 Cb 0.00 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 68.63 3i4m n THR 3 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 3i4m n PHE 4 N 0.00 -2.94 -4.30 -1.42 1.16 -1.26 -5.09 117.46 103.61 3i4m n PHE 4 Ca 0.00 -1.74 -0.16 0.00 -1.87 0.00 0.00 57.45 53.68 3i4m n PHE 4 Cb 0.00 -0.72 -0.10 0.00 -1.61 0.00 0.00 39.48 37.05 3i4m n PHE 4 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 3i4m s ARG 5 N -5.07 1.31 0.26 3.97 1.70 -1.26 -5.16 118.95 114.70 3i4m s ARG 5 Ca 0.65 -1.68 0.11 0.00 -0.47 0.00 0.00 55.73 54.34 3i4m s ARG 5 Cb -0.04 -0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 33.94 3i4m s ARG 5 CO 0.43 -0.20 -0.13 -0.06 -1.08 0.00 0.00 175.30 174.27 3i4m s PHE 6 N -3.64 2.46 0.19 5.89 2.99 -1.26 -3.97 117.98 120.64 3i4m s PHE 6 Ca 0.31 -0.29 -0.24 0.00 0.00 0.00 0.00 56.93 56.72 3i4m s PHE 6 Cb 0.07 -1.10 -0.08 0.00 0.00 0.00 0.00 43.02 41.91 3i4m s PHE 6 CO 0.10 0.65 0.77 0.00 -0.00 0.00 0.00 175.22 176.74 3i4m n ARG 8 N 1.35 -1.55 0.00 0.00 1.85 -1.26 -2.83 116.66 114.22 3i4m n ARG 8 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 3i4m n ARG 8 Cb 0.49 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.90 3i4m n ARG 8 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3i4m n ASP 9 N -2.75 0.00 -4.05 2.89 8.00 -1.26 -4.21 116.55 115.17 3i4m n ASP 9 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 3i4m n ASP 9 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 3i4m n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4m s ASN 11 N 1.13 4.31 0.00 0.00 3.84 -1.13 -4.46 114.94 118.64 3i4m s ASN 11 Ca 0.09 0.39 0.00 0.00 0.21 0.00 0.00 52.86 53.56 3i4m s ASN 11 Cb -0.20 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 3i4m s ASN 11 CO -0.07 -3.29 0.00 0.59 -2.79 0.00 0.00 177.10 171.54 3i4m n ASN 12 N 16.77 0.45 -4.84 -4.21 5.03 -1.25 -4.92 115.26 122.27 3i4m n ASN 12 Ca 0.40 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.53 3i4m n ASN 12 Cb 0.49 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.19 3i4m n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3i4m s MET 13 N 1.19 4.02 -0.51 3.52 -2.45 -1.26 -3.43 119.30 120.39 3i4m s MET 13 Ca 0.00 0.79 0.01 0.00 -1.25 0.00 0.00 55.69 55.24 3i4m s MET 13 Cb 0.00 -2.32 0.13 0.00 1.25 0.00 0.00 34.83 33.89 3i4m s MET 13 CO 0.00 0.02 0.28 -0.51 1.05 0.00 0.00 175.02 175.86 3i4m s LEU 14 N -3.30 4.85 0.10 4.11 1.43 -1.25 -4.44 118.68 120.18 3i4m s LEU 14 Ca 0.56 -2.66 -0.30 0.00 -1.03 0.00 0.00 54.13 50.70 3i4m s LEU 14 Cb -0.10 -1.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.32 3i4m s LEU 14 CO 0.20 -0.35 1.04 -0.31 0.23 0.00 0.00 176.35 177.16 3i4m s TYR 15 N 0.21 3.67 0.33 0.29 1.51 -1.19 -4.47 117.35 117.69 3i4m s TYR 15 Ca 0.15 1.65 -0.27 0.00 -1.01 0.00 0.00 57.07 57.59 3i4m s TYR 15 Cb -0.22 -3.18 -0.09 0.00 -0.11 0.00 0.00 41.96 38.35 3i4m s TYR 15 CO -0.03 -0.29 1.06 -1.25 -1.11 0.00 0.00 175.55 173.93 3i4m s PRO 16 N 0.22 4.45 0.27 -1.71 0.04 -1.26 -0.25 135.00 136.76 3i4m s PRO 16 Ca 0.50 1.64 0.02 0.00 0.04 0.00 0.00 61.00 63.21 3i4m s PRO 16 Cb -0.26 -2.91 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 3i4m s PRO 16 CO 0.31 0.09 0.07 1.03 0.04 0.00 0.00 177.00 178.54 3i4m s ARG 17 N -1.88 1.46 -0.02 4.56 1.81 0.22 -4.90 118.95 120.19 3i4m s ARG 17 Ca 0.50 -1.79 0.07 0.00 -1.72 0.00 0.00 55.73 52.79 3i4m s ARG 17 Cb -0.27 -0.45 -0.02 0.00 -0.45 0.00 0.00 34.95 33.75 3i4m s ARG 17 CO 0.34 -0.24 -0.23 -2.00 -0.68 0.00 0.00 175.30 172.49 3i4m s GLU 18 N -3.98 2.17 -1.26 3.54 2.12 -1.26 -0.63 118.70 119.40 3i4m s GLU 18 Ca 0.36 -0.90 -0.14 0.00 0.36 0.00 0.00 54.97 54.65 3i4m s GLU 18 Cb 0.08 -2.12 0.14 0.00 0.26 0.00 0.00 34.13 32.49 3i4m s GLU 18 CO 0.13 0.57 1.62 -3.47 -0.54 0.00 0.00 175.26 173.57 3i4m n ASP 19 N 2.29 5.06 0.00 -1.70 -0.08 0.90 -4.87 116.55 118.15 3i4m n ASP 19 Ca -0.16 -2.97 0.00 0.00 -1.51 0.00 0.00 54.79 50.14 3i4m n ASP 19 Cb 0.51 -1.61 0.00 0.00 2.34 0.00 0.00 41.12 42.37 3i4m n ASP 19 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3i4m n LYS 20 N 6.09 0.00 0.15 -0.67 5.02 -1.26 0.61 118.16 128.10 3i4m n LYS 20 Ca 0.41 0.56 -0.08 0.00 -2.02 0.00 0.00 58.31 57.18 3i4m n LYS 20 Cb 0.42 -0.86 -0.05 0.00 -0.02 0.00 0.00 35.03 34.53 3i4m n LYS 20 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3i4m h GLU 21 N 0.00 -0.46 0.00 1.97 4.81 -1.98 -3.15 114.58 115.77 3i4m h GLU 21 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3i4m h GLU 21 Cb 0.00 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3i4m h GLU 21 CO 0.00 -0.31 0.00 -0.91 -0.73 0.00 0.00 179.01 177.06 3i4m h ASN 22 N -0.48 0.00 -4.42 1.04 2.35 -1.95 -3.48 115.58 108.64 3i4m h ASN 22 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3i4m h ASN 22 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 3i4m h ASN 22 CO -0.02 0.00 -0.34 0.59 -1.65 0.00 0.00 177.43 176.01 3i4m n ASN 23 N -2.47 -5.76 -3.61 5.81 4.13 0.20 -5.07 115.26 108.50 3i4m n ASN 23 Ca 0.01 0.40 -0.06 0.00 1.68 0.00 0.00 54.58 56.61 3i4m n ASN 23 Cb 0.21 -3.77 -0.04 0.00 -1.54 0.00 0.00 39.78 34.64 3i4m n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i4m s ARG 24 N -1.92 0.32 0.22 3.52 1.70 -1.20 -4.98 118.95 116.62 3i4m s ARG 24 Ca 0.14 0.04 -0.30 0.00 -0.47 0.00 0.00 55.73 55.14 3i4m s ARG 24 Cb -0.04 0.15 -0.09 0.00 -0.57 0.00 0.00 34.95 34.41 3i4m s ARG 24 CO 0.49 -0.11 0.93 -1.17 -1.08 0.00 0.00 175.30 174.36 3i4m s LEU 25 N -1.27 4.63 -0.18 -1.89 2.96 -1.26 -0.07 118.68 121.60 3i4m s LEU 25 Ca 0.05 1.91 -0.03 0.00 -0.22 0.00 0.00 54.13 55.84 3i4m s LEU 25 Cb -0.01 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 43.15 3i4m s LEU 25 CO -0.04 0.14 0.03 -0.76 -1.32 0.00 0.00 176.35 174.40 3i4m s LEU 26 N -1.05 1.09 0.40 -0.68 1.43 0.19 0.87 118.68 120.94 3i4m s LEU 26 Ca 0.41 -0.72 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 3i4m s LEU 26 Cb -0.25 -0.57 -0.10 0.00 0.03 0.00 0.00 46.19 45.30 3i4m s LEU 26 CO 0.31 -0.29 1.00 -0.36 0.23 0.00 0.00 176.35 177.25 3i4m s PHE 27 N 1.87 3.32 0.00 0.29 2.99 -0.11 0.70 117.98 127.04 3i4m s PHE 27 Ca -0.00 1.65 0.00 0.00 0.00 0.00 0.00 56.93 58.58 3i4m s PHE 27 Cb -0.16 -3.01 0.00 0.00 0.00 0.00 0.00 43.02 39.84 3i4m s PHE 27 CO -0.08 -0.37 0.00 -0.85 -0.00 0.00 0.00 175.22 173.93 3i4m n GLU 28 N -0.21 0.00 -3.64 0.44 0.28 0.65 -1.83 120.64 116.34 3i4m n GLU 28 Ca 0.05 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.96 3i4m n GLU 28 Cb 0.51 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.31 3i4m n GLU 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i4m n ARG 30 N 2.71 2.75 -0.61 0.00 1.74 -1.26 -4.09 116.66 117.91 3i4m n ARG 30 Ca -0.14 -3.06 0.06 0.00 -0.77 0.00 0.00 57.85 53.94 3i4m n ARG 30 Cb 0.56 -2.01 0.18 0.00 -1.02 0.00 0.00 32.46 30.16 3i4m n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3i4m n THR 31 N -0.68 1.89 -3.09 0.55 -1.04 -1.26 -5.04 114.28 105.60 3i4m n THR 31 Ca 0.37 -2.81 0.00 0.00 -2.04 0.00 0.00 64.05 59.58 3i4m n THR 31 Cb 1.22 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 69.64 3i4m n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i4m n SER 33 N 3.00 0.49 -3.32 0.00 7.64 -1.26 -4.70 113.62 115.47 3i4m n SER 33 Ca 0.00 -0.08 -0.33 0.00 1.01 0.00 0.00 58.87 59.47 3i4m n SER 33 Cb 0.00 1.14 -0.00 0.00 -1.01 0.00 0.00 64.21 64.33 3i4m n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i4m n TYR 34 N -2.18 -1.52 -4.01 1.43 9.36 -1.26 -4.84 117.16 114.14 3i4m n TYR 34 Ca -0.00 0.51 -0.12 0.00 3.32 0.00 0.00 57.90 61.60 3i4m n TYR 34 Cb 0.50 -1.38 -0.03 0.00 -0.63 0.00 0.00 39.34 37.79 3i4m n TYR 34 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3i4m s VAL 35 N -1.25 0.00 -0.30 2.97 1.01 -1.26 -3.50 120.40 118.07 3i4m s VAL 35 Ca 0.46 -1.44 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 3i4m s VAL 35 Cb -0.51 -2.54 0.21 0.00 0.00 0.00 0.00 36.38 33.53 3i4m s VAL 35 CO 0.48 0.00 1.41 -1.83 0.00 0.00 0.00 175.10 175.16 3i4m s GLU 36 N -3.25 0.01 0.75 2.72 -1.05 -0.76 -4.98 118.70 112.15 3i4m s GLU 36 Ca 0.25 0.02 -0.15 0.00 -0.15 0.00 0.00 54.97 54.94 3i4m s GLU 36 Cb -0.01 0.00 0.05 0.00 -0.44 0.00 0.00 34.13 33.73 3i4m s GLU 36 CO 0.15 -0.00 1.24 -2.00 0.95 0.00 0.00 175.26 175.60 3i4m s GLU 37 N 0.42 1.93 0.00 -4.83 2.12 -1.26 -0.94 118.70 116.14 3i4m s GLU 37 Ca 0.01 1.88 -0.35 0.00 0.36 0.00 0.00 54.97 56.87 3i4m s GLU 37 Cb -0.04 -1.79 -0.13 0.00 0.26 0.00 0.00 34.13 32.42 3i4m s GLU 37 CO -0.14 -2.02 1.71 0.00 -0.54 0.00 0.00 175.26 174.27 3i4m n ALA 38 N -2.83 0.81 0.08 6.30 0.00 0.25 -4.58 120.51 120.54 3i4m n ALA 38 Ca 0.14 0.37 -0.03 0.00 0.00 0.00 0.00 53.44 53.93 3i4m n ALA 38 Cb 0.50 -2.38 0.20 0.00 0.00 0.00 0.00 19.45 17.76 3i4m n ALA 38 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i4m h GLY 39 N 7.41 0.32 -3.46 0.00 0.00 -1.90 -3.46 103.07 101.98 3i4m h GLY 39 Ca -0.47 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 46.50 3i4m h GLY 39 CO 0.91 0.28 0.13 -0.45 0.00 0.00 0.00 176.54 177.42 3i4m s SER 40 N -6.87 -0.53 0.19 0.19 0.15 -1.26 -5.06 113.70 100.51 3i4m s SER 40 Ca -0.05 0.22 0.23 0.00 0.70 0.00 0.00 55.95 57.05 3i4m s SER 40 Cb 0.13 0.54 0.90 0.00 -1.71 0.00 0.00 66.02 65.89 3i4m s SER 40 CO 0.78 -0.79 1.69 -0.81 1.20 0.00 0.00 173.24 175.31 3i4m n PRO 41 N 0.20 0.16 -2.52 5.44 -0.04 -1.26 -4.51 135.00 132.47 3i4m n PRO 41 Ca -0.18 0.34 -0.41 0.00 -0.04 0.00 0.00 63.50 63.21 3i4m n PRO 41 Cb 0.61 -1.77 -0.01 0.00 -0.04 0.00 0.00 33.50 32.29 3i4m n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i4m s LEU 42 N -4.14 3.70 0.30 1.53 2.96 -1.26 -4.82 118.68 116.95 3i4m s LEU 42 Ca 0.06 -2.20 0.04 0.00 -0.22 0.00 0.00 54.13 51.81 3i4m s LEU 42 Cb 0.10 -2.58 0.67 0.00 0.50 0.00 0.00 46.19 44.89 3i4m s LEU 42 CO 0.41 -1.43 1.80 0.58 -1.32 0.00 0.00 176.35 176.39 3i4m h VAL 43 N 5.83 0.78 -1.31 1.68 2.07 -1.99 -3.37 116.25 119.95 3i4m h VAL 43 Ca 0.39 -0.29 0.18 0.00 0.82 0.00 0.00 66.70 67.79 3i4m h VAL 43 Cb 0.90 -0.14 -0.25 0.00 -1.52 0.00 0.00 31.29 30.28 3i4m h VAL 43 CO 1.43 0.16 0.78 -0.47 0.02 0.00 0.00 177.57 179.48 3i4m s TYR 44 N -5.89 -0.18 0.10 1.57 5.04 -1.26 -4.61 117.35 112.12 3i4m s TYR 44 Ca -0.11 0.28 0.05 0.00 -2.44 0.00 0.00 57.07 54.85 3i4m s TYR 44 Cb 0.24 0.48 -0.03 0.00 0.35 0.00 0.00 41.96 43.00 3i4m s TYR 44 CO 0.80 -0.17 -0.12 0.50 -1.34 0.00 0.00 175.55 175.22 3i4m s ARG 45 N -1.22 0.89 -0.04 4.97 3.52 -1.26 -4.95 118.95 120.86 3i4m s ARG 45 Ca 0.05 -1.12 -0.04 0.00 -0.13 0.00 0.00 55.73 54.49 3i4m s ARG 45 Cb -0.01 -0.72 -0.01 0.00 -1.56 0.00 0.00 34.95 32.65 3i4m s ARG 45 CO -0.04 0.14 -0.07 1.58 -0.81 0.00 0.00 175.30 176.10 3i4m n HIS 46 N 0.76 0.02 -1.98 5.12 -0.00 -1.26 -4.97 115.22 112.91 3i4m n HIS 46 Ca -0.17 0.01 -0.03 0.00 -0.00 0.00 0.00 57.72 57.53 3i4m n HIS 46 Cb 0.56 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.99 30.40 3i4m n HIS 46 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 3i4m n GLU 47 N -2.89 -2.01 -0.09 1.57 2.13 -1.26 -5.04 120.64 113.04 3i4m n GLU 47 Ca -0.03 1.80 -0.13 0.00 0.66 0.00 0.00 57.16 59.46 3i4m n GLU 47 Cb 0.10 -2.79 -0.06 0.00 0.27 0.00 0.00 31.44 28.97 3i4m n GLU 47 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3i4m n LEU 48 N 0.74 1.85 -3.54 4.31 4.77 -1.26 -4.47 117.00 119.40 3i4m n LEU 48 Ca -0.19 0.51 -0.40 0.00 -0.03 0.00 0.00 56.01 55.90 3i4m n LEU 48 Cb 0.29 -0.89 -0.01 0.00 -2.33 0.00 0.00 43.42 40.48 3i4m n LEU 48 CO 0.18 -0.10 2.65 -0.38 -1.33 0.00 0.00 177.39 178.41 3i4m n ILE 49 N -4.50 4.56 -1.02 -0.08 5.41 -1.26 -4.98 119.36 117.49 3i4m n ILE 49 Ca -0.21 -3.65 -0.34 0.00 1.00 0.00 0.00 62.75 59.55 3i4m n ILE 49 Cb 0.49 -2.36 0.10 0.00 -0.71 0.00 0.00 39.64 37.17 3i4m n ILE 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3i4m n THR 50 N 3.03 1.05 -1.28 1.39 -1.04 -1.26 -4.97 114.28 111.20 3i4m n THR 50 Ca 0.61 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.36 3i4m n THR 50 Cb 0.28 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 3i4m n THR 50 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3i4m n ASN 51 N -1.42 0.00 -4.61 8.00 4.13 -1.26 -5.09 115.26 115.01 3i4m n ASN 51 Ca 0.09 -1.00 -0.42 0.00 1.68 0.00 0.00 54.58 54.93 3i4m n ASN 51 Cb 0.52 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.71 3i4m n ASN 51 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3i4m s ILE 52 N 0.00 4.76 0.00 2.41 -4.36 -1.26 -3.49 121.20 119.25 3i4m s ILE 52 Ca 0.00 1.23 0.00 0.00 -0.26 0.00 0.00 60.65 61.62 3i4m s ILE 52 Cb 0.00 -4.18 0.00 0.00 1.25 0.00 0.00 42.46 39.53 3i4m s ILE 52 CO 0.00 -0.29 0.00 0.61 0.24 0.00 0.00 174.94 175.50 3i4m n GLY 53 N 4.18 1.23 0.71 6.27 0.00 -1.26 -4.91 105.19 111.41 3i4m n GLY 53 Ca 0.05 0.00 0.53 0.00 0.00 0.00 0.00 46.02 46.60 3i4m n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i4m h GLU 54 N 0.00 0.00 0.00 1.61 5.08 -1.93 0.25 114.58 119.59 3i4m h GLU 54 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i4m h GLU 54 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i4m h GLU 54 CO 0.00 0.00 0.00 2.41 -1.00 0.00 0.00 179.01 180.42 3i4m n THR 55 N -3.97 0.12 -0.87 1.13 -1.04 -1.26 -3.00 114.28 105.40 3i4m n THR 55 Ca 0.44 -0.25 -0.27 0.00 -2.04 0.00 0.00 64.05 61.93 3i4m n THR 55 Cb 2.01 1.35 0.01 0.00 -1.82 0.00 0.00 70.33 71.88 3i4m n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i4m n ALA 56 N -0.06 -2.78 -2.39 2.41 0.00 0.87 -4.32 120.51 114.24 3i4m n ALA 56 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 3i4m n ALA 56 Cb 0.23 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 3i4m n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4m n GLY 57 N 1.83 -4.48 2.67 0.00 0.00 -1.26 -4.99 105.19 98.95 3i4m n GLY 57 Ca 0.05 0.93 -0.10 0.00 0.00 0.00 0.00 46.02 46.91 3i4m n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i4m n VAL 58 N 1.02 -0.30 -0.76 1.61 0.31 -1.26 -5.09 118.33 113.86 3i4m n VAL 58 Ca -0.20 -1.58 -0.26 0.00 -0.01 0.00 0.00 64.34 62.29 3i4m n VAL 58 Cb 0.31 0.36 0.23 0.00 -0.91 0.00 0.00 33.84 33.83 3i4m n VAL 58 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i4m n VAL 59 N 2.91 0.00 0.42 2.52 0.31 -1.26 -4.87 118.33 118.37 3i4m n VAL 59 Ca 0.21 -0.30 0.12 0.00 -0.01 0.00 0.00 64.34 64.36 3i4m n VAL 59 Cb 0.54 -1.10 0.22 0.00 -0.91 0.00 0.00 33.84 32.59 3i4m n VAL 59 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3i4m h GLN 60 N 0.00 0.00 0.00 5.55 5.75 -2.04 -2.81 115.11 121.56 3i4m h GLN 60 Ca -0.35 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.15 3i4m h GLN 60 Cb 1.09 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.64 3i4m h GLN 60 CO 0.22 0.00 0.00 -0.25 -2.65 0.00 0.00 178.83 176.15 3i4m n ASP 61 N -2.51 0.00 0.00 -0.69 8.00 -1.26 -3.92 116.55 116.17 3i4m n ASP 61 Ca 0.04 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.61 3i4m n ASP 61 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3i4m n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4m n ILE 62 N -1.00 0.58 -0.79 0.53 3.06 -1.06 0.26 119.36 120.93 3i4m n ILE 62 Ca 0.22 0.31 0.08 0.00 -2.50 0.00 0.00 62.75 60.86 3i4m n ILE 62 Cb 0.10 -1.31 0.17 0.00 0.54 0.00 0.00 39.64 39.13 3i4m n ILE 62 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3i4m n GLY 63 N -1.04 4.07 0.00 4.50 0.00 -1.25 -4.56 105.19 106.91 3i4m n GLY 63 Ca 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 45.19 3i4m n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i4m n SER 64 N -0.74 0.83 -4.56 1.61 3.41 0.72 -4.86 113.62 110.02 3i4m n SER 64 Ca 0.15 -0.56 -0.39 0.00 -0.26 0.00 0.00 58.87 57.81 3i4m n SER 64 Cb 0.66 1.06 -0.03 0.00 -0.26 0.00 0.00 64.21 65.63 3i4m n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i4m s ASP 65 N -1.89 6.37 0.55 4.04 -1.08 -1.25 -4.81 116.67 118.61 3i4m s ASP 65 Ca 0.02 -1.53 0.32 0.00 -0.52 0.00 0.00 52.55 50.84 3i4m s ASP 65 Cb 0.05 -2.57 1.48 0.00 -1.46 0.00 0.00 42.92 40.42 3i4m s ASP 65 CO 0.30 -1.63 1.86 1.55 0.52 0.00 0.00 175.17 177.77 3i4m h PRO 66 N 9.61 0.00 -0.73 4.34 0.13 -1.96 0.10 132.00 143.50 3i4m h PRO 66 Ca 0.23 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.52 3i4m h PRO 66 Cb 0.99 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.00 3i4m h PRO 66 CO 1.41 0.00 0.14 1.79 -0.23 0.00 0.00 178.00 181.11 3i4m h THR 67 N 0.00 0.49 -4.05 1.56 1.35 -2.01 -3.41 112.91 106.84 3i4m h THR 67 Ca 0.41 -0.08 -0.53 0.00 -0.55 0.00 0.00 66.41 65.66 3i4m h THR 67 Cb 1.75 0.24 0.11 0.00 -1.73 0.00 0.00 68.15 68.52 3i4m h THR 67 CO -0.00 0.04 0.55 -0.76 -0.25 0.00 0.00 175.52 175.09 3i4m s LEU 68 N -10.61 3.86 1.06 3.87 1.43 0.36 -5.03 118.68 113.61 3i4m s LEU 68 Ca -0.13 2.56 -0.16 0.00 -1.03 0.00 0.00 54.13 55.37 3i4m s LEU 68 Cb 0.21 -4.33 0.23 0.00 0.03 0.00 0.00 46.19 42.32 3i4m s LEU 68 CO 0.75 -1.40 1.17 -2.16 0.23 0.00 0.00 176.35 174.94 3i4m s PRO 69 N -2.93 -0.12 -0.06 1.29 0.04 -1.26 -5.00 135.00 126.95 3i4m s PRO 69 Ca 0.71 -0.03 0.02 0.00 0.04 0.00 0.00 61.00 61.74 3i4m s PRO 69 Cb -0.35 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.48 3i4m s PRO 69 CO 0.41 -2.98 -0.13 1.03 0.04 0.00 0.00 177.00 175.37 3i4m s ARG 70 N -5.46 1.72 0.03 4.56 1.81 -1.26 -4.03 118.95 116.32 3i4m s ARG 70 Ca 0.70 -0.43 0.08 0.00 -1.72 0.00 0.00 55.73 54.36 3i4m s ARG 70 Cb -0.10 -1.42 -0.03 0.00 -0.45 0.00 0.00 34.95 32.95 3i4m s ARG 70 CO 0.55 0.05 -0.24 -1.54 -0.68 0.00 0.00 175.30 173.44 3i4m s SER 71 N 0.60 3.37 0.00 0.23 1.04 -0.28 -4.98 113.70 113.68 3i4m s SER 71 Ca -0.14 -0.52 0.20 0.00 0.48 0.00 0.00 55.95 55.97 3i4m s SER 71 Cb -0.15 -0.40 0.04 0.00 0.10 0.00 0.00 66.02 65.61 3i4m s SER 71 CO 0.04 0.27 1.03 -0.90 0.98 0.00 0.00 173.24 174.65 3i4m n ASP 72 N 1.79 2.10 -4.62 7.02 5.75 -1.26 -1.39 116.55 125.93 3i4m n ASP 72 Ca -0.17 -1.55 -0.56 0.00 -0.01 0.00 0.00 54.79 52.51 3i4m n ASP 72 Cb 0.52 0.34 -0.07 0.00 -1.03 0.00 0.00 41.12 40.88 3i4m n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i4m n ARG 73 N 0.29 0.88 -1.85 0.11 1.74 -1.26 -4.13 116.66 112.45 3i4m n ARG 73 Ca 0.09 0.32 -0.39 0.00 -0.77 0.00 0.00 57.85 57.10 3i4m n ARG 73 Cb 0.44 -1.94 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 3i4m n ARG 73 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3i4m s GLU 74 N 1.36 2.69 0.94 5.56 -1.05 -1.16 -4.46 118.70 122.59 3i4m s GLU 74 Ca 0.91 1.17 -0.16 0.00 -0.15 0.00 0.00 54.97 56.74 3i4m s GLU 74 Cb -1.07 -4.40 -0.11 0.00 -0.44 0.00 0.00 34.13 28.11 3i4m s GLU 74 CO 0.56 -2.62 -0.45 0.00 0.95 0.00 0.00 175.26 173.70 3i4m h PRO 76 N -1.02 0.83 0.00 0.00 0.11 -1.95 -3.18 132.00 126.78 3i4m h PRO 76 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i4m h PRO 76 Cb 1.31 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3i4m h PRO 76 CO 0.28 0.55 0.00 1.63 -0.21 0.00 0.00 178.00 180.24 3i4m n LYS 77 N -4.64 0.00 -0.41 1.05 5.02 -1.26 -4.73 118.16 113.19 3i4m n LYS 77 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 3i4m n LYS 77 Cb 0.45 -0.11 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 3i4m n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i4m n HIS 79 N 1.40 0.00 -1.77 0.00 8.25 -1.20 -4.77 115.22 117.13 3i4m n HIS 79 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 3i4m n HIS 79 Cb 0.47 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.65 3i4m n HIS 79 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3i4m s SER 80 N -1.05 4.91 -0.23 0.41 0.01 -1.26 -4.58 113.70 111.91 3i4m s SER 80 Ca 0.00 1.12 0.15 0.00 1.31 0.00 0.00 55.95 58.53 3i4m s SER 80 Cb 0.00 -1.84 0.46 0.00 0.21 0.00 0.00 66.02 64.85 3i4m s SER 80 CO 0.00 -1.69 1.17 0.54 0.41 0.00 0.00 173.24 173.68 3i4m n ARG 81 N -3.23 2.24 -3.74 12.44 1.74 -1.26 -2.33 116.66 122.53 3i4m n ARG 81 Ca 0.07 -3.54 -0.30 0.00 -0.77 0.00 0.00 57.85 53.31 3i4m n ARG 81 Cb 0.58 -1.67 -0.15 0.00 -1.02 0.00 0.00 32.46 30.19 3i4m n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3i4m s GLU 82 N -3.11 0.73 0.08 5.56 2.02 -1.26 -4.42 118.70 118.30 3i4m s GLU 82 Ca 0.40 -1.10 -0.03 0.00 0.02 0.00 0.00 54.97 54.27 3i4m s GLU 82 Cb 0.38 -2.01 -0.03 0.00 0.10 0.00 0.00 34.13 32.56 3i4m s GLU 82 CO -0.03 -0.99 0.04 -0.80 0.02 0.00 0.00 175.26 173.50 3i4m s ASN 83 N 1.59 0.36 -0.21 -0.19 0.01 -0.49 0.91 114.94 116.93 3i4m s ASN 83 Ca 0.10 -1.00 -0.04 0.00 -0.71 0.00 0.00 52.86 51.20 3i4m s ASN 83 Cb -0.17 0.26 0.07 0.00 0.41 0.00 0.00 41.25 41.82 3i4m s ASN 83 CO -0.25 -0.67 0.10 0.54 -1.51 0.00 0.00 177.10 175.31 3i4m s VAL 84 N -3.95 0.00 0.71 1.60 0.11 -1.21 -1.12 120.40 116.54 3i4m s VAL 84 Ca 0.12 -0.41 -0.01 0.00 -2.93 0.00 0.00 61.98 58.76 3i4m s VAL 84 Cb 0.07 -0.77 0.12 0.00 -1.53 0.00 0.00 36.38 34.28 3i4m s VAL 84 CO -0.06 -0.42 0.98 0.72 -3.33 0.00 0.00 175.10 172.99 3i4m s PHE 85 N 2.09 1.64 0.03 1.54 -0.00 -1.26 -3.59 117.98 118.43 3i4m s PHE 85 Ca 0.04 -0.27 -0.13 0.00 -0.00 0.00 0.00 56.93 56.57 3i4m s PHE 85 Cb -0.16 -2.97 0.04 0.00 -0.00 0.00 0.00 43.02 39.93 3i4m s PHE 85 CO -0.18 -1.67 0.59 1.97 -0.00 0.00 0.00 175.22 175.94 3i4m n PHE 86 N -2.81 -0.51 -3.62 3.49 1.16 -1.16 -4.53 117.46 109.49 3i4m n PHE 86 Ca 0.15 -0.45 -0.22 0.00 -1.87 0.00 0.00 57.45 55.05 3i4m n PHE 86 Cb 0.61 0.21 -0.01 0.00 -1.61 0.00 0.00 39.48 38.67 3i4m n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3i4m s GLN 87 N -2.01 2.41 0.09 3.97 -0.21 -1.26 -1.90 119.66 120.74 3i4m s GLN 87 Ca 0.14 -1.71 -0.35 0.00 0.02 0.00 0.00 55.36 53.46 3i4m s GLN 87 Cb -0.01 -2.31 -0.14 0.00 1.00 0.00 0.00 33.01 31.55 3i4m s GLN 87 CO 0.01 -0.40 1.60 0.45 -2.12 0.00 0.00 175.29 174.83 3i4m n SER 88 N -1.69 2.92 0.09 5.90 2.88 -1.26 -4.84 113.62 117.63 3i4m n SER 88 Ca 0.03 1.07 0.12 0.00 -1.33 0.00 0.00 58.87 58.76 3i4m n SER 88 Cb 0.63 -1.37 0.45 0.00 -0.75 0.00 0.00 64.21 63.17 3i4m n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i4m n GLN 89 N 3.94 0.18 -2.02 -1.46 1.13 -1.16 -4.59 117.38 113.39 3i4m n GLN 89 Ca 0.18 0.29 -0.40 0.00 -1.94 0.00 0.00 57.00 55.13 3i4m n GLN 89 Cb 0.27 -1.77 -0.03 0.00 0.11 0.00 0.00 30.24 28.82 3i4m n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3i4m s GLN 90 N -3.17 2.85 -0.26 -1.09 0.74 -1.26 -4.84 119.66 112.62 3i4m s GLN 90 Ca 0.08 0.89 -0.04 0.00 0.05 0.00 0.00 55.36 56.34 3i4m s GLN 90 Cb 0.11 -4.32 -0.14 0.00 1.10 0.00 0.00 33.01 29.76 3i4m s GLN 90 CO 0.47 -2.45 2.42 0.54 -0.55 0.00 0.00 175.29 175.71 3i4m n ARG 91 N 8.91 1.54 -3.79 1.67 5.12 -1.26 -4.83 116.66 124.02 3i4m n ARG 91 Ca 0.22 -0.87 -0.36 0.00 -1.93 0.00 0.00 57.85 54.90 3i4m n ARG 91 Cb 0.50 -1.99 -0.12 0.00 -1.16 0.00 0.00 32.46 29.69 3i4m n ARG 91 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3i4m s ARG 92 N 2.11 3.74 0.33 5.56 0.52 -1.26 -4.98 118.95 124.98 3i4m s ARG 92 Ca 0.43 -0.44 0.19 0.00 -0.52 0.00 0.00 55.73 55.39 3i4m s ARG 92 Cb 0.18 -3.35 1.21 0.00 0.52 0.00 0.00 34.95 33.51 3i4m s ARG 92 CO -0.01 -0.11 1.40 1.63 0.02 0.00 0.00 175.30 178.24 3i4m n LYS 93 N 4.70 -0.05 0.20 3.54 4.01 -1.26 0.51 118.16 129.80 3i4m n LYS 93 Ca -0.16 1.22 0.04 0.00 -0.51 0.00 0.00 58.31 58.90 3i4m n LYS 93 Cb 0.52 -2.20 0.42 0.00 -0.51 0.00 0.00 35.03 33.25 3i4m n LYS 93 CO 0.00 0.00 0.00 0.38 -1.11 0.00 0.00 177.40 176.67 3i4m h ASP 94 N 0.00 0.01 -0.90 4.39 2.03 -1.96 -3.47 116.42 116.53 3i4m h ASP 94 Ca 0.76 -0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.80 3i4m h ASP 94 Cb 2.03 -0.00 0.10 0.00 -0.83 0.00 0.00 39.33 40.62 3i4m h ASP 94 CO -0.67 0.30 -0.71 0.41 -1.03 0.00 0.00 179.24 177.54 3i4m n THR 95 N -4.19 0.00 -3.08 1.15 -1.04 0.18 -5.00 114.28 102.30 3i4m n THR 95 Ca -0.02 -0.23 -0.19 0.00 -2.04 0.00 0.00 64.05 61.57 3i4m n THR 95 Cb 0.34 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 68.88 3i4m n THR 95 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3i4m s SER 96 N -0.45 5.29 -0.44 8.00 1.04 -1.26 -5.06 113.70 120.82 3i4m s SER 96 Ca 0.21 -0.70 0.05 0.00 0.48 0.00 0.00 55.95 55.99 3i4m s SER 96 Cb -0.14 -0.08 0.43 0.00 0.10 0.00 0.00 66.02 66.32 3i4m s SER 96 CO 0.34 -1.09 1.25 0.23 0.98 0.00 0.00 173.24 174.95 3i4m n MET 97 N -2.05 3.40 -3.59 4.02 2.81 -1.26 -4.64 117.12 115.81 3i4m n MET 97 Ca 0.12 -4.28 -0.32 0.00 -1.81 0.00 0.00 57.70 51.41 3i4m n MET 97 Cb 0.61 -2.26 -0.05 0.00 -0.71 0.00 0.00 33.22 30.81 3i4m n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3i4m s VAL 98 N -5.20 5.10 0.29 2.03 1.01 -1.26 -5.04 120.40 117.33 3i4m s VAL 98 Ca 0.50 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 3i4m s VAL 98 Cb 0.41 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 3i4m s VAL 98 CO -0.13 0.06 0.54 -0.76 0.00 0.00 0.00 175.10 174.81 3i4m s LEU 99 N -2.54 4.06 -0.21 3.92 1.43 -1.26 -4.25 118.68 119.82 3i4m s LEU 99 Ca 0.41 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 54.18 3i4m s LEU 99 Cb -0.12 -3.47 0.04 0.00 0.03 0.00 0.00 46.19 42.66 3i4m s LEU 99 CO 0.22 -0.20 -0.15 -0.36 0.23 0.00 0.00 176.35 176.09 3i4m s PHE 100 N -2.11 2.86 -0.16 0.29 0.40 -0.80 -2.99 117.98 115.47 3i4m s PHE 100 Ca 0.43 -1.86 -0.07 0.00 -0.60 0.00 0.00 56.93 54.82 3i4m s PHE 100 Cb -0.11 -1.86 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 3i4m s PHE 100 CO 0.31 -0.82 0.10 -0.06 0.70 0.00 0.00 175.22 175.45 3i4m s PHE 101 N 1.25 3.39 -0.28 0.36 0.40 -0.21 -2.98 117.98 119.90 3i4m s PHE 101 Ca -0.01 0.30 -0.00 0.00 -0.60 0.00 0.00 56.93 56.61 3i4m s PHE 101 Cb -0.16 -2.03 0.05 0.00 0.51 0.00 0.00 43.02 41.39 3i4m s PHE 101 CO -0.09 0.40 -0.04 0.08 0.70 0.00 0.00 175.22 176.27 3i4m s VAL 102 N -0.18 2.73 0.20 -0.44 1.01 -1.24 -1.93 120.40 120.55 3i4m s VAL 102 Ca 0.09 -1.42 -0.32 0.00 0.00 0.00 0.00 61.98 60.33 3i4m s VAL 102 Cb -0.12 -2.56 -0.14 0.00 0.00 0.00 0.00 36.38 33.56 3i4m s VAL 102 CO 0.01 -0.05 1.32 0.00 0.00 0.00 0.00 175.10 176.38 3i4m n LEU 104 N 2.20 0.29 -1.87 0.00 4.77 0.26 -1.25 117.00 121.40 3i4m n LEU 104 Ca 0.14 0.22 -0.21 0.00 -0.03 0.00 0.00 56.01 56.13 3i4m n LEU 104 Cb 0.28 -0.36 0.12 0.00 -2.33 0.00 0.00 43.42 41.14 3i4m n LEU 104 CO 0.62 0.07 0.92 -1.20 -1.33 0.00 0.00 177.39 176.46 3i4m n SER 105 N -1.51 4.71 0.00 -1.43 7.64 -1.26 -4.73 113.62 117.03 3i4m n SER 105 Ca 0.06 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.19 3i4m n SER 105 Cb 0.34 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 3i4m n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i4m n SER 107 N 0.00 -2.59 -4.60 0.00 7.64 -0.38 -5.01 113.62 108.68 3i4m n SER 107 Ca 0.00 -0.05 -0.32 0.00 1.01 0.00 0.00 58.87 59.50 3i4m n SER 107 Cb 0.00 -1.23 -0.10 0.00 -1.01 0.00 0.00 64.21 61.87 3i4m n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3i4m s HIS 108 N -3.03 2.91 -0.78 1.43 5.65 -1.26 -4.84 115.29 115.37 3i4m s HIS 108 Ca 0.03 -0.02 -0.05 0.00 0.25 0.00 0.00 55.06 55.27 3i4m s HIS 108 Cb -0.00 -1.63 0.20 0.00 -1.18 0.00 0.00 32.58 29.97 3i4m s HIS 108 CO 0.09 0.37 0.65 0.42 -0.65 0.00 0.00 174.74 175.62 3i4m s ILE 109 N -0.98 4.41 -0.05 0.89 1.01 -1.26 -1.96 121.20 123.26 3i4m s ILE 109 Ca 0.17 -3.19 -0.01 0.00 0.00 0.00 0.00 60.65 57.62 3i4m s ILE 109 Cb -0.11 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 3i4m s ILE 109 CO 0.07 -0.99 0.01 0.72 0.00 0.00 0.00 174.94 174.75 3i4m s PHE 110 N -0.51 3.14 0.49 3.97 -0.12 -0.81 -4.90 117.98 119.24 3i4m s PHE 110 Ca 0.21 0.16 0.08 0.00 -0.05 0.00 0.00 56.93 57.33 3i4m s PHE 110 Cb -0.14 -1.74 0.04 0.00 -0.63 0.00 0.00 43.02 40.55 3i4m s PHE 110 CO -0.07 0.47 0.61 0.99 -0.05 0.00 0.00 175.22 177.17 3i4m s THR 111 N -0.98 2.50 -0.58 -4.49 2.01 -1.26 -1.05 115.64 111.78 3i4m s THR 111 Ca 0.16 -1.10 0.15 0.00 0.31 0.00 0.00 61.69 61.21 3i4m s THR 111 Cb -0.11 -2.60 0.51 0.00 0.01 0.00 0.00 72.50 70.31 3i4m s THR 111 CO 0.06 0.00 1.42 -1.54 -0.69 0.00 0.00 174.62 173.87 3i4m n SER 112 N -1.94 3.84 -4.73 3.53 3.41 -1.16 -4.97 113.62 111.60 3i4m n SER 112 Ca 0.09 -2.59 -0.42 0.00 -0.26 0.00 0.00 58.87 55.69 3i4m n SER 112 Cb 0.61 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 3i4m n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i4m s ASP 113 N -1.40 6.61 -0.34 4.04 -1.08 -1.26 -4.93 116.67 118.31 3i4m s ASP 113 Ca 0.38 2.65 0.09 0.00 -0.52 0.00 0.00 52.55 55.15 3i4m s ASP 113 Cb 0.27 -2.61 0.45 0.00 -1.46 0.00 0.00 42.92 39.58 3i4m s ASP 113 CO 0.14 -0.77 1.14 0.00 0.52 0.00 0.00 175.17 176.20 3i4m n GLN 114 N 3.16 3.18 0.00 4.34 6.02 -1.26 -4.49 117.38 128.33 3i4m n GLN 114 Ca 0.10 -4.14 0.00 0.00 -0.01 0.00 0.00 57.00 52.95 3i4m n GLN 114 Cb 0.39 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.53 3i4m n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3i4m n LYS 115 N -0.58 0.73 -3.56 -1.09 5.02 -1.26 -5.14 118.16 112.28 3i4m n LYS 115 Ca 0.36 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.50 3i4m n LYS 115 Cb 0.84 -0.19 -0.05 0.00 -0.02 0.00 0.00 35.03 35.61 3i4m n LYS 115 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3i4m n ASN 116 N -0.34 0.06 0.00 4.39 3.02 -1.26 -5.31 115.26 115.82 3i4m n ASN 116 Ca 0.00 -2.49 0.00 0.00 -0.03 0.00 0.00 54.58 52.06 3i4m n ASN 116 Cb 0.00 1.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.17 3i4m n ASN 116 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93