#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nmb s ILE 2 N 0.00 3.99 -0.13 0.53 1.01 -1.26 -4.96 121.20 120.37 1nmb s ILE 2 Ca 0.00 1.15 -0.27 0.00 0.00 0.00 0.00 60.65 61.54 1nmb s ILE 2 Cb 0.00 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 1nmb s ILE 2 CO 0.00 -0.25 0.88 -1.10 0.00 0.00 0.00 174.94 174.48 1nmb s GLN 3 N 4.05 4.36 -0.52 2.79 1.11 -1.26 -4.78 119.66 125.40 1nmb s GLN 3 Ca 0.62 1.14 -0.18 0.00 0.01 0.00 0.00 55.36 56.96 1nmb s GLN 3 Cb -0.23 -3.55 0.08 0.00 -1.01 0.00 0.00 33.01 28.30 1nmb s GLN 3 CO 0.23 -0.28 0.59 -1.64 0.01 0.00 0.00 175.29 174.20 1nmb s MET 4 N 1.96 3.06 -0.37 2.91 -1.94 -1.26 -1.01 119.30 122.65 1nmb s MET 4 Ca 0.42 -1.16 -0.25 0.00 -1.71 0.00 0.00 55.69 53.00 1nmb s MET 4 Cb -0.17 -4.16 0.01 0.00 2.01 0.00 0.00 34.83 32.52 1nmb s MET 4 CO 0.15 -1.28 0.86 0.99 -0.01 0.00 0.00 175.02 175.74 1nmb s THR 5 N 2.37 4.65 -0.29 2.05 2.01 0.37 -4.04 115.64 122.76 1nmb s THR 5 Ca 0.11 1.04 0.03 0.00 0.31 0.00 0.00 61.69 63.18 1nmb s THR 5 Cb -0.22 -4.28 0.08 0.00 0.01 0.00 0.00 72.50 68.08 1nmb s THR 5 CO 0.09 -0.50 -0.04 -1.58 -0.69 0.00 0.00 174.62 171.90 1nmb s GLN 6 N 3.32 1.85 -0.63 4.92 0.74 -1.26 0.18 119.66 128.78 1nmb s GLN 6 Ca 0.35 -1.52 -0.15 0.00 0.05 0.00 0.00 55.36 54.09 1nmb s GLN 6 Cb -0.12 -2.96 0.16 0.00 1.10 0.00 0.00 33.01 31.18 1nmb s GLN 6 CO 0.18 -0.73 0.58 0.95 -0.55 0.00 0.00 175.29 175.72 1nmb s THR 7 N 1.06 5.29 0.00 -0.34 -4.23 -1.26 -4.61 115.64 111.55 1nmb s THR 7 Ca -0.01 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1nmb s THR 7 Cb -0.19 -4.36 0.00 0.00 1.34 0.00 0.00 72.50 69.29 1nmb s THR 7 CO -0.07 -0.92 0.00 0.41 -0.54 0.00 0.00 174.62 173.51 1nmb n THR 8 N 4.83 0.00 0.92 3.99 -1.04 -1.26 -4.92 114.28 116.80 1nmb n THR 8 Ca -0.05 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.07 1nmb n THR 8 Cb 0.42 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 69.01 1nmb n THR 8 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1nmb n SER 9 N 0.00 2.68 -3.75 8.00 3.41 -1.26 -4.40 113.62 118.29 1nmb n SER 9 Ca 0.00 -1.84 -0.15 0.00 -0.26 0.00 0.00 58.87 56.62 1nmb n SER 9 Cb 0.00 0.08 -0.16 0.00 -0.26 0.00 0.00 64.21 63.88 1nmb n SER 9 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1nmb s SER 10 N -1.92 0.09 -0.17 4.04 0.15 -1.25 -0.06 113.70 114.58 1nmb s SER 10 Ca 0.24 0.14 -0.05 0.00 0.70 0.00 0.00 55.95 56.99 1nmb s SER 10 Cb 0.18 0.03 0.07 0.00 -1.71 0.00 0.00 66.02 64.58 1nmb s SER 10 CO 0.32 -0.15 0.11 -0.76 1.20 0.00 0.00 173.24 173.97 1nmb s LEU 11 N 1.21 0.25 0.29 3.45 1.43 -0.20 -4.93 118.68 120.19 1nmb s LEU 11 Ca -0.08 -0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 52.31 1nmb s LEU 11 Cb -0.12 -0.12 -0.09 0.00 0.03 0.00 0.00 46.19 45.89 1nmb s LEU 11 CO -0.04 -0.34 0.80 -0.94 0.23 0.00 0.00 176.35 176.06 1nmb s SER 12 N 2.18 7.04 0.37 2.29 1.04 -1.26 -0.01 113.70 125.35 1nmb s SER 12 Ca 0.03 1.51 -0.15 0.00 0.48 0.00 0.00 55.95 57.81 1nmb s SER 12 Cb -0.16 -2.46 0.05 0.00 0.10 0.00 0.00 66.02 63.55 1nmb s SER 12 CO -0.09 -0.09 0.77 0.00 0.98 0.00 0.00 173.24 174.81 1nmb s ALA 13 N -1.72 -0.70 0.03 5.32 0.00 0.97 -4.81 121.76 120.85 1nmb s ALA 13 Ca 0.49 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.74 1nmb s ALA 13 Cb -0.15 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.67 1nmb s ALA 13 CO 0.20 -0.98 -0.13 -1.12 0.00 0.00 0.00 175.76 173.73 1nmb s SER 14 N -3.07 1.47 0.04 0.00 0.01 -1.26 -0.29 113.70 110.60 1nmb s SER 14 Ca 0.16 -0.43 -0.36 0.00 1.31 0.00 0.00 55.95 56.63 1nmb s SER 14 Cb -0.05 -0.09 -0.16 0.00 0.21 0.00 0.00 66.02 65.94 1nmb s SER 14 CO 0.11 0.01 1.49 0.18 0.41 0.00 0.00 173.24 175.45 1nmb n LEU 15 N 1.98 2.19 0.00 2.44 4.32 -1.26 -1.37 117.00 125.30 1nmb n LEU 15 Ca -0.18 1.09 0.00 0.00 -0.02 0.00 0.00 56.01 56.91 1nmb n LEU 15 Cb 0.55 -1.25 0.00 0.00 -1.62 0.00 0.00 43.42 41.10 1nmb n LEU 15 CO 0.23 -0.72 0.00 0.61 -1.22 0.00 0.00 177.39 176.28 1nmb n GLY 16 N 3.09 1.63 3.67 -0.72 0.00 0.16 -4.88 105.19 108.14 1nmb n GLY 16 Ca 0.20 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1nmb n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nmb n ASP 17 N 0.06 1.75 -4.35 1.61 9.92 -0.47 -3.80 116.55 121.27 1nmb n ASP 17 Ca 0.00 0.95 -0.45 0.00 -0.53 0.00 0.00 54.79 54.76 1nmb n ASP 17 Cb 0.00 -1.46 -0.06 0.00 -0.64 0.00 0.00 41.12 38.96 1nmb n ASP 17 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1nmb s ARG 18 N -2.56 2.99 0.13 -1.24 3.52 -0.55 0.34 118.95 121.59 1nmb s ARG 18 Ca 0.70 -1.52 -0.03 0.00 -0.13 0.00 0.00 55.73 54.75 1nmb s ARG 18 Cb -0.46 -4.23 -0.05 0.00 -1.56 0.00 0.00 34.95 28.65 1nmb s ARG 18 CO 0.51 -1.23 0.34 0.08 -0.81 0.00 0.00 175.30 174.19 1nmb s VAL 19 N 1.72 5.23 -0.07 7.11 1.01 0.18 -4.95 120.40 130.63 1nmb s VAL 19 Ca 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1nmb s VAL 19 Cb -0.27 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1nmb s VAL 19 CO 0.05 0.03 0.02 -0.89 0.00 0.00 0.00 175.10 174.32 1nmb s THR 20 N -1.65 0.24 -0.09 3.92 2.01 -1.26 -0.43 115.64 118.38 1nmb s THR 20 Ca 0.39 0.15 -0.06 0.00 0.31 0.00 0.00 61.69 62.48 1nmb s THR 20 Cb -0.12 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 1nmb s THR 20 CO 0.26 0.19 0.16 -0.63 -0.69 0.00 0.00 174.62 173.91 1nmb s ILE 21 N 2.02 5.48 0.09 1.82 1.09 0.15 -4.95 121.20 126.91 1nmb s ILE 21 Ca 0.05 0.14 0.09 0.00 -1.10 0.00 0.00 60.65 59.83 1nmb s ILE 21 Cb -0.13 -3.44 -0.03 0.00 -1.06 0.00 0.00 42.46 37.80 1nmb s ILE 21 CO -0.05 0.55 -0.24 -0.44 -0.10 0.00 0.00 174.94 174.66 1nmb s SER 22 N -1.24 2.92 0.10 3.58 0.01 -1.26 0.35 113.70 118.14 1nmb s SER 22 Ca 0.18 -0.66 0.05 0.00 1.31 0.00 0.00 55.95 56.82 1nmb s SER 22 Cb -0.12 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.87 1nmb s SER 22 CO 0.08 0.15 -0.13 0.00 0.41 0.00 0.00 173.24 173.76 1nmb s ARG 24 N -2.43 0.65 0.02 0.00 0.52 0.47 -0.98 118.95 117.20 1nmb s ARG 24 Ca 0.04 -0.61 0.07 0.00 -0.52 0.00 0.00 55.73 54.71 1nmb s ARG 24 Cb -0.06 -0.56 -0.02 0.00 0.52 0.00 0.00 34.95 34.83 1nmb s ARG 24 CO 0.02 0.13 -0.21 0.00 0.02 0.00 0.00 175.30 175.26 1nmb s ALA 25 N -0.86 1.77 0.14 2.13 0.00 0.16 0.14 121.76 125.24 1nmb s ALA 25 Ca -0.03 -1.01 -0.21 0.00 0.00 0.00 0.00 51.96 50.72 1nmb s ALA 25 Cb -0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1nmb s ALA 25 CO 0.01 0.41 1.68 0.77 0.00 0.00 0.00 175.76 178.63 1nmb h SER 26 N 5.15 -0.38 -1.26 0.00 0.02 -1.40 -3.44 113.55 112.23 1nmb h SER 26 Ca -0.41 0.09 -0.59 0.00 -0.84 0.00 0.00 61.79 60.03 1nmb h SER 26 Cb 1.15 0.20 -0.09 0.00 0.14 0.00 0.00 62.40 63.80 1nmb h SER 26 CO 0.45 -0.15 -0.47 -1.58 -1.14 0.00 0.00 176.83 173.94 1nmb s GLN 27 N -6.17 2.21 -0.52 3.45 2.00 -1.26 -5.01 119.66 114.35 1nmb s GLN 27 Ca -0.14 -1.97 -0.27 0.00 -2.00 0.00 0.00 55.36 50.98 1nmb s GLN 27 Cb 0.11 -1.92 -0.02 0.00 0.80 0.00 0.00 33.01 31.99 1nmb s GLN 27 CO 0.68 -0.23 1.78 0.34 -0.50 0.00 0.00 175.29 177.37 1nmb s ASP 28 N -3.95 5.57 0.00 6.67 2.15 -1.26 -4.67 116.67 121.19 1nmb s ASP 28 Ca 0.35 0.62 0.17 0.00 0.43 0.00 0.00 52.55 54.12 1nmb s ASP 28 Cb 0.03 -2.53 0.79 0.00 -0.30 0.00 0.00 42.92 40.91 1nmb s ASP 28 CO 0.19 -2.08 1.54 2.30 -0.17 0.00 0.00 175.17 176.94 1nmb n ILE 29 N 7.23 0.11 -3.70 4.11 -5.35 -1.20 -4.94 119.36 115.62 1nmb n ILE 29 Ca 0.20 -0.16 -0.28 0.00 -0.27 0.00 0.00 62.75 62.24 1nmb n ILE 29 Cb 0.50 0.01 0.01 0.00 -1.74 0.00 0.00 39.64 38.43 1nmb n ILE 29 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1nmb n SER 30 N -0.27 -4.48 0.00 7.28 2.88 -1.26 -1.45 113.62 116.33 1nmb n SER 30 Ca 0.13 -0.64 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 1nmb n SER 30 Cb 0.17 -3.62 0.00 0.00 -0.75 0.00 0.00 64.21 60.01 1nmb n SER 30 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1nmb n ASN 31 N -2.62 0.00 -3.71 -3.46 5.03 -1.26 -4.93 115.26 104.30 1nmb n ASN 31 Ca 0.02 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.04 1nmb n ASN 31 Cb 0.53 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.25 1nmb n ASN 31 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1nmb n TYR 32 N -2.00 2.22 -4.16 3.10 4.01 -0.53 -2.69 117.16 117.10 1nmb n TYR 32 Ca 0.00 -1.98 -0.16 0.00 -0.16 0.00 0.00 57.90 55.61 1nmb n TYR 32 Cb 0.00 -1.90 -0.14 0.00 -0.31 0.00 0.00 39.34 36.98 1nmb n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1nmb s LEU 33 N 1.99 2.03 0.38 7.72 2.96 -1.26 -1.77 118.68 130.73 1nmb s LEU 33 Ca 0.57 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.37 1nmb s LEU 33 Cb 0.13 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.51 1nmb s LEU 33 CO 0.09 0.04 0.09 0.20 -1.32 0.00 0.00 176.35 175.45 1nmb s ASN 34 N -0.27 2.67 -0.00 3.68 0.01 -0.15 0.00 114.94 120.88 1nmb s ASN 34 Ca 0.01 -1.54 0.02 0.00 -0.71 0.00 0.00 52.86 50.63 1nmb s ASN 34 Cb -0.03 0.25 -0.00 0.00 0.41 0.00 0.00 41.25 41.88 1nmb s ASN 34 CO -0.00 -0.78 -0.05 0.26 -1.51 0.00 0.00 177.10 175.01 1nmb s TRP 35 N -3.24 0.45 0.02 2.20 0.52 -0.70 -2.09 118.94 116.10 1nmb s TRP 35 Ca 0.28 -0.09 0.05 0.00 0.02 0.00 0.00 56.10 56.37 1nmb s TRP 35 Cb 0.05 -0.29 -0.02 0.00 -1.15 0.00 0.00 33.47 32.07 1nmb s TRP 35 CO 0.14 -0.01 -0.15 0.71 0.02 0.00 0.00 176.95 177.66 1nmb s TYR 36 N -0.13 1.35 -0.13 -1.98 1.51 0.53 -2.37 117.35 116.13 1nmb s TYR 36 Ca 0.02 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1nmb s TYR 36 Cb -0.02 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 41.00 1nmb s TYR 36 CO -0.00 0.02 -0.16 -1.14 -1.11 0.00 0.00 175.55 173.17 1nmb s GLN 37 N -0.85 3.27 -0.32 -0.62 0.74 0.68 -0.64 119.66 121.93 1nmb s GLN 37 Ca 0.04 -0.74 -0.01 0.00 0.05 0.00 0.00 55.36 54.70 1nmb s GLN 37 Cb -0.07 -2.58 0.07 0.00 1.10 0.00 0.00 33.01 31.53 1nmb s GLN 37 CO 0.01 0.14 0.02 -1.14 -0.55 0.00 0.00 175.29 173.77 1nmb s GLN 38 N 0.51 2.23 0.53 1.67 0.74 -0.36 0.14 119.66 125.12 1nmb s GLN 38 Ca -0.10 -1.43 -0.19 0.00 0.05 0.00 0.00 55.36 53.68 1nmb s GLN 38 Cb -0.16 -3.21 -0.06 0.00 1.10 0.00 0.00 33.01 30.68 1nmb s GLN 38 CO 0.04 -0.72 1.09 0.54 -0.55 0.00 0.00 175.29 175.70 1nmb s ASN 39 N 1.29 5.91 0.49 6.67 2.20 -0.47 -2.71 114.94 128.31 1nmb s ASN 39 Ca -0.02 2.05 0.10 0.00 -0.94 0.00 0.00 52.86 54.06 1nmb s ASN 39 Cb -0.20 -2.57 0.36 0.00 -2.00 0.00 0.00 41.25 36.84 1nmb s ASN 39 CO -0.03 -1.09 0.89 -0.81 -2.94 0.00 0.00 177.10 173.13 1nmb n PRO 40 N -1.30 0.02 -0.06 3.55 -0.04 -1.26 -1.91 135.00 133.99 1nmb n PRO 40 Ca 0.11 0.76 -0.07 0.00 -0.04 0.00 0.00 63.50 64.26 1nmb n PRO 40 Cb 0.52 -1.98 -0.05 0.00 -0.04 0.00 0.00 33.50 31.95 1nmb n PRO 40 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1nmb h ASP 41 N 0.00 0.00 0.00 3.54 2.03 -2.01 -3.48 116.42 116.49 1nmb h ASP 41 Ca 0.19 -0.33 0.00 0.00 -0.73 0.00 0.00 57.03 56.17 1nmb h ASP 41 Cb 1.92 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.42 1nmb h ASP 41 CO -0.00 0.78 0.00 0.61 -1.03 0.00 0.00 179.24 179.60 1nmb n GLY 42 N 1.67 0.00 3.56 7.15 0.00 -0.80 -5.12 105.19 111.65 1nmb n GLY 42 Ca -0.07 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.42 1nmb n GLY 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nmb n THR 43 N 0.00 0.28 -3.59 2.61 -1.04 -1.25 -4.74 114.28 106.55 1nmb n THR 43 Ca 0.00 -0.16 -0.40 0.00 -2.04 0.00 0.00 64.05 61.45 1nmb n THR 43 Cb 0.00 -1.50 -0.11 0.00 -1.82 0.00 0.00 70.33 66.90 1nmb n THR 43 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1nmb s VAL 44 N 5.56 4.77 0.10 12.58 1.01 -1.26 -1.37 120.40 141.78 1nmb s VAL 44 Ca 1.04 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 62.48 1nmb s VAL 44 Cb -0.93 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 1nmb s VAL 44 CO 0.56 -0.11 -0.05 -0.75 0.00 0.00 0.00 175.10 174.75 1nmb s LYS 45 N 1.61 2.35 -0.13 2.72 2.20 0.12 -4.94 119.74 123.68 1nmb s LYS 45 Ca 0.04 -0.93 -0.07 0.00 -0.36 0.00 0.00 55.97 54.66 1nmb s LYS 45 Cb -0.18 -2.43 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 1nmb s LYS 45 CO 0.07 0.52 0.11 -1.17 -0.36 0.00 0.00 175.35 174.53 1nmb s LEU 46 N -2.27 4.22 0.05 5.43 2.96 -1.26 -0.23 118.68 127.58 1nmb s LEU 46 Ca 0.24 0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 54.50 1nmb s LEU 46 Cb -0.11 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 1nmb s LEU 46 CO 0.16 0.37 -0.06 0.18 -1.32 0.00 0.00 176.35 175.69 1nmb n LEU 47 N 2.23 1.20 -4.37 -0.68 4.77 -1.00 -4.69 117.00 114.46 1nmb n LEU 47 Ca -0.19 0.16 -0.30 0.00 -0.03 0.00 0.00 56.01 55.65 1nmb n LEU 47 Cb 0.54 -0.39 -0.14 0.00 -2.33 0.00 0.00 43.42 41.11 1nmb n LEU 47 CO 0.31 -0.64 -0.56 -0.63 -1.33 0.00 0.00 177.39 174.54 1nmb s ILE 48 N -2.14 2.24 0.01 -0.08 1.01 -1.24 0.64 121.20 121.64 1nmb s ILE 48 Ca -0.05 -1.51 -0.01 0.00 0.00 0.00 0.00 60.65 59.09 1nmb s ILE 48 Cb 0.01 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 1nmb s ILE 48 CO 0.07 0.26 0.00 -0.72 0.00 0.00 0.00 174.94 174.55 1nmb s TYR 49 N -0.91 0.13 -1.18 3.97 -0.85 0.12 -1.72 117.35 116.91 1nmb s TYR 49 Ca 0.13 -0.27 -0.02 0.00 -0.52 0.00 0.00 57.07 56.38 1nmb s TYR 49 Cb -0.10 -0.10 -0.02 0.00 0.38 0.00 0.00 41.96 42.12 1nmb s TYR 49 CO 0.04 -0.12 0.92 0.98 -1.52 0.00 0.00 175.55 175.85 1nmb n TYR 50 N 2.19 -2.20 0.00 -3.49 9.36 -0.62 -1.09 117.16 121.31 1nmb n TYR 50 Ca -0.19 0.89 0.00 0.00 3.32 0.00 0.00 57.90 61.91 1nmb n TYR 50 Cb 0.57 -4.68 0.00 0.00 -0.63 0.00 0.00 39.34 34.60 1nmb n TYR 50 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1nmb n THR 51 N -3.93 0.00 0.07 2.97 -1.04 0.10 -4.00 114.28 108.45 1nmb n THR 51 Ca -0.23 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.79 1nmb n THR 51 Cb 0.66 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.16 1nmb n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1nmb n SER 52 N 2.01 0.54 -4.66 8.00 3.41 -1.24 -3.62 113.62 118.06 1nmb n SER 52 Ca 0.00 -0.77 -0.43 0.00 -0.26 0.00 0.00 58.87 57.41 1nmb n SER 52 Cb 0.00 0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 1nmb n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1nmb s ASN 53 N -0.69 7.08 0.36 4.04 -0.87 -0.25 -4.78 114.94 119.83 1nmb s ASN 53 Ca 0.01 1.41 -0.25 0.00 -1.57 0.00 0.00 52.86 52.45 1nmb s ASN 53 Cb 0.01 -2.54 -0.09 0.00 -0.02 0.00 0.00 41.25 38.61 1nmb s ASN 53 CO 0.04 -0.68 1.01 -0.76 -2.57 0.00 0.00 177.10 174.14 1nmb s LEU 54 N 3.23 4.26 0.83 0.60 1.02 -1.26 0.14 118.68 127.50 1nmb s LEU 54 Ca 0.45 1.97 -0.12 0.00 0.02 0.00 0.00 54.13 56.45 1nmb s LEU 54 Cb -0.16 -4.07 0.10 0.00 0.02 0.00 0.00 46.19 42.09 1nmb s LEU 54 CO 0.07 -0.28 1.19 -2.28 0.02 0.00 0.00 176.35 175.07 1nmb s HIS 55 N -1.61 2.65 0.41 0.29 5.65 0.21 -4.89 115.29 118.01 1nmb s HIS 55 Ca 0.53 0.61 -0.26 0.00 0.25 0.00 0.00 55.06 56.20 1nmb s HIS 55 Cb -0.21 -3.59 -0.10 0.00 -1.18 0.00 0.00 32.58 27.50 1nmb s HIS 55 CO 0.27 -1.91 1.37 0.43 -0.65 0.00 0.00 174.74 174.24 1nmb n SER 56 N -3.36 3.07 -3.92 9.88 7.64 -1.26 -3.19 113.62 122.48 1nmb n SER 56 Ca 0.10 1.15 -0.29 0.00 1.01 0.00 0.00 58.87 60.84 1nmb n SER 56 Cb 0.61 -1.55 -0.01 0.00 -1.01 0.00 0.00 64.21 62.24 1nmb n SER 56 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1nmb n GLU 57 N 0.12 -2.41 -4.28 1.43 1.02 -1.26 -4.99 120.64 110.27 1nmb n GLU 57 Ca 0.05 0.37 -0.32 0.00 -0.02 0.00 0.00 57.16 57.23 1nmb n GLU 57 Cb 0.39 -4.21 -0.16 0.00 -0.02 0.00 0.00 31.44 27.44 1nmb n GLU 57 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1nmb s VAL 58 N -3.84 2.01 -0.25 2.62 1.01 -1.19 -5.08 120.40 115.67 1nmb s VAL 58 Ca 0.15 -0.92 -0.41 0.00 0.00 0.00 0.00 61.98 60.80 1nmb s VAL 58 Cb -0.06 -1.80 -0.19 0.00 0.00 0.00 0.00 36.38 34.33 1nmb s VAL 58 CO 0.90 0.53 1.27 -2.65 0.00 0.00 0.00 175.10 175.15 1nmb n PRO 59 N 4.46 0.00 0.01 2.72 -0.02 -1.26 -4.77 135.00 136.15 1nmb n PRO 59 Ca -0.20 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.28 1nmb n PRO 59 Cb 0.50 -1.41 0.04 0.00 -0.02 0.00 0.00 33.50 32.62 1nmb n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1nmb n SER 60 N 2.67 0.04 0.08 2.55 3.41 -1.26 -1.78 113.62 119.33 1nmb n SER 60 Ca 0.24 0.44 -0.05 0.00 -0.26 0.00 0.00 58.87 59.24 1nmb n SER 60 Cb 0.01 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.46 1nmb n SER 60 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1nmb h ARG 61 N 0.00 0.00 -6.53 4.33 0.11 -1.95 -3.46 114.38 106.88 1nmb h ARG 61 Ca 0.00 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.55 1nmb h ARG 61 Cb 0.18 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.28 1nmb h ARG 61 CO 0.00 0.89 0.79 -0.06 0.10 0.00 0.00 179.97 181.69 1nmb s PHE 62 N -2.87 3.10 0.27 4.08 0.08 -0.73 -3.48 117.98 118.42 1nmb s PHE 62 Ca 0.01 0.81 0.11 0.00 0.12 0.00 0.00 56.93 57.98 1nmb s PHE 62 Cb 0.10 -3.76 -0.05 0.00 -0.57 0.00 0.00 43.02 38.75 1nmb s PHE 62 CO 0.80 -2.75 -0.14 0.45 -0.10 0.00 0.00 175.22 173.48 1nmb s SER 63 N 1.30 3.88 -0.14 1.36 0.15 0.18 -4.96 113.70 115.48 1nmb s SER 63 Ca 0.66 -0.89 -0.11 0.00 0.70 0.00 0.00 55.95 56.32 1nmb s SER 63 Cb -0.38 -0.47 0.04 0.00 -1.71 0.00 0.00 66.02 63.50 1nmb s SER 63 CO 0.30 0.04 0.36 -0.83 1.20 0.00 0.00 173.24 174.31 1nmb s GLY 64 N -3.49 -0.27 0.28 9.45 0.00 -1.26 -1.00 107.32 111.03 1nmb s GLY 64 Ca 0.30 1.16 -0.10 0.00 0.00 0.00 0.00 44.72 46.08 1nmb s GLY 64 CO 0.16 1.15 0.55 -1.14 0.00 0.00 0.00 173.10 173.83 1nmb n SER 65 N 3.44 -1.61 0.00 1.64 3.41 0.04 -4.25 113.62 116.29 1nmb n SER 65 Ca -0.17 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 1nmb n SER 65 Cb 0.56 2.70 0.00 0.00 -0.26 0.00 0.00 64.21 67.21 1nmb n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nmb n GLY 66 N -0.38 3.13 0.00 5.00 0.00 -1.26 0.37 105.19 112.04 1nmb n GLY 66 Ca -0.06 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1nmb n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nmb n SER 67 N 0.00 0.47 0.00 1.61 3.41 -0.71 -4.86 113.62 113.53 1nmb n SER 67 Ca 0.00 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 1nmb n SER 67 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1nmb n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nmb n GLY 68 N 1.16 1.45 0.00 5.00 0.00 -1.26 -1.83 105.19 109.72 1nmb n GLY 68 Ca 0.00 0.58 0.07 0.00 0.00 0.00 0.00 46.02 46.67 1nmb n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nmb n THR 69 N 0.00 0.00 -4.74 2.61 -2.24 -1.26 -3.22 114.28 105.42 1nmb n THR 69 Ca 0.00 -0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 1nmb n THR 69 Cb 0.00 0.70 -0.15 0.00 -2.10 0.00 0.00 70.33 68.78 1nmb n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nmb s ASP 70 N -2.78 3.71 0.26 3.42 1.01 -0.76 -0.66 116.67 120.87 1nmb s ASP 70 Ca 0.01 -0.43 0.02 0.00 0.71 0.00 0.00 52.55 52.86 1nmb s ASP 70 Cb 0.10 -1.56 -0.05 0.00 1.01 0.00 0.00 42.92 42.42 1nmb s ASP 70 CO 0.57 0.13 0.09 -0.31 0.21 0.00 0.00 175.17 175.85 1nmb s TYR 71 N 0.55 1.58 -0.27 4.23 1.51 -0.16 -1.74 117.35 123.05 1nmb s TYR 71 Ca -0.10 -1.14 -0.25 0.00 -1.01 0.00 0.00 57.07 54.57 1nmb s TYR 71 Cb -0.16 -0.94 0.08 0.00 -0.11 0.00 0.00 41.96 40.83 1nmb s TYR 71 CO 0.04 -0.28 0.77 -1.54 -1.11 0.00 0.00 175.55 173.42 1nmb s SER 72 N -3.33 -0.70 -0.19 2.29 1.04 0.16 0.43 113.70 113.40 1nmb s SER 72 Ca 0.37 1.34 -0.09 0.00 0.48 0.00 0.00 55.95 58.05 1nmb s SER 72 Cb 0.08 1.36 -0.05 0.00 0.10 0.00 0.00 66.02 67.51 1nmb s SER 72 CO 0.13 -0.24 0.11 -0.22 0.98 0.00 0.00 173.24 174.00 1nmb s LEU 73 N 0.32 4.08 -0.25 2.42 0.20 0.15 -0.78 118.68 124.83 1nmb s LEU 73 Ca 0.00 0.18 0.02 0.00 0.69 0.00 0.00 54.13 55.02 1nmb s LEU 73 Cb -0.05 -2.05 0.05 0.00 -0.43 0.00 0.00 46.19 43.71 1nmb s LEU 73 CO 0.00 0.18 -0.11 -0.89 -0.29 0.00 0.00 176.35 175.24 1nmb s THR 74 N 0.36 2.28 -0.29 3.68 2.01 -0.17 0.33 115.64 123.84 1nmb s THR 74 Ca 0.06 -1.47 -0.18 0.00 0.31 0.00 0.00 61.69 60.42 1nmb s THR 74 Cb -0.11 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1nmb s THR 74 CO -0.01 0.07 0.51 -0.63 -0.69 0.00 0.00 174.62 173.86 1nmb s ILE 75 N 1.16 5.05 -0.02 1.82 1.01 0.43 0.51 121.20 131.17 1nmb s ILE 75 Ca -0.06 0.70 -0.07 0.00 0.00 0.00 0.00 60.65 61.22 1nmb s ILE 75 Cb -0.19 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1nmb s ILE 75 CO -0.06 -0.00 0.52 0.77 0.00 0.00 0.00 174.94 176.17 1nmb h SER 76 N 8.17 -0.22 -3.72 3.58 4.64 -1.79 0.51 113.55 124.71 1nmb h SER 76 Ca -0.29 0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.37 1nmb h SER 76 Cb 1.14 0.06 -0.38 0.00 -0.31 0.00 0.00 62.40 62.91 1nmb h SER 76 CO 0.73 -0.02 -0.38 0.20 -0.87 0.00 0.00 176.83 176.48 1nmb s ASN 77 N -3.68 5.19 -0.45 4.97 -0.87 -1.23 -1.48 114.94 117.39 1nmb s ASN 77 Ca -0.04 -3.38 -0.41 0.00 -1.57 0.00 0.00 52.86 47.45 1nmb s ASN 77 Cb 0.00 -1.78 -0.17 0.00 -0.02 0.00 0.00 41.25 39.29 1nmb s ASN 77 CO 0.12 -0.22 2.15 0.18 -2.57 0.00 0.00 177.10 176.75 1nmb n LEU 78 N 2.71 1.18 -4.84 0.60 4.77 0.15 -4.39 117.00 117.17 1nmb n LEU 78 Ca 0.14 0.61 -0.31 0.00 -0.03 0.00 0.00 56.01 56.42 1nmb n LEU 78 Cb 0.36 -1.01 -0.05 0.00 -2.33 0.00 0.00 43.42 40.39 1nmb n LEU 78 CO 0.33 -0.76 -0.21 -1.61 -1.33 0.00 0.00 177.39 173.81 1nmb s GLU 79 N 6.03 3.14 0.31 3.23 2.02 -1.26 0.40 118.70 132.56 1nmb s GLU 79 Ca 1.17 -0.58 0.06 0.00 0.02 0.00 0.00 54.97 55.63 1nmb s GLU 79 Cb -1.31 -2.87 0.84 0.00 0.10 0.00 0.00 34.13 30.90 1nmb s GLU 79 CO 0.61 0.58 1.62 0.37 0.02 0.00 0.00 175.26 178.47 1nmb h GLN 80 N 3.18 0.14 -0.30 1.61 4.15 -1.99 0.23 115.11 122.13 1nmb h GLN 80 Ca -0.46 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1nmb h GLN 80 Cb 1.16 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.82 1nmb h GLN 80 CO 0.70 0.09 0.00 -0.85 -1.93 0.00 0.00 178.83 176.85 1nmb n GLU 81 N -5.27 0.58 0.00 1.69 0.28 -1.26 -1.69 120.64 114.97 1nmb n GLU 81 Ca 0.25 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.30 1nmb n GLU 81 Cb 0.81 -1.15 0.03 0.00 1.43 0.00 0.00 31.44 32.56 1nmb n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1nmb n ASP 82 N -0.13 1.66 -4.13 -1.84 9.92 0.82 -4.84 116.55 118.00 1nmb n ASP 82 Ca 0.00 -1.33 -0.41 0.00 -0.53 0.00 0.00 54.79 52.52 1nmb n ASP 82 Cb 0.07 0.12 -0.02 0.00 -0.64 0.00 0.00 41.12 40.66 1nmb n ASP 82 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1nmb n ILE 83 N 0.35 3.22 -4.03 0.53 2.08 -0.68 -4.81 119.36 116.02 1nmb n ILE 83 Ca 0.05 -3.09 -0.02 0.00 0.56 0.00 0.00 62.75 60.25 1nmb n ILE 83 Cb 0.24 -2.42 -0.01 0.00 -0.75 0.00 0.00 39.64 36.70 1nmb n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nmb n ALA 84 N 8.15 0.07 -2.82 -1.39 0.00 -1.26 -4.74 120.51 118.52 1nmb n ALA 84 Ca 0.50 -0.19 -0.35 0.00 0.00 0.00 0.00 53.44 53.40 1nmb n ALA 84 Cb 0.43 0.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 1nmb n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1nmb s THR 85 N -2.00 4.46 -0.12 0.00 2.01 -1.10 -2.06 115.64 116.83 1nmb s THR 85 Ca 0.03 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.85 1nmb s THR 85 Cb 0.00 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 1nmb s THR 85 CO 0.02 0.52 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.11 1nmb s TYR 86 N -0.07 3.00 -0.13 4.92 2.02 -0.83 -1.23 117.35 125.04 1nmb s TYR 86 Ca 0.05 -0.18 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 1nmb s TYR 86 Cb -0.12 -1.86 0.01 0.00 -0.40 0.00 0.00 41.96 39.58 1nmb s TYR 86 CO 0.02 0.11 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.82 1nmb s PHE 87 N -0.09 2.60 0.49 2.71 0.40 0.19 -1.38 117.98 122.90 1nmb s PHE 87 Ca 0.02 -1.24 -0.03 0.00 -0.60 0.00 0.00 56.93 55.08 1nmb s PHE 87 Cb -0.13 -1.76 -0.01 0.00 0.51 0.00 0.00 43.02 41.63 1nmb s PHE 87 CO 0.03 -0.55 0.76 0.00 0.70 0.00 0.00 175.22 176.15 1nmb s GLN 89 N -4.71 0.98 0.02 0.00 0.74 -0.89 -1.07 119.66 114.73 1nmb s GLN 89 Ca 0.49 0.10 0.08 0.00 0.05 0.00 0.00 55.36 56.08 1nmb s GLN 89 Cb -0.10 0.46 -0.03 0.00 1.10 0.00 0.00 33.01 34.43 1nmb s GLN 89 CO 0.42 -0.31 -0.21 1.14 -0.55 0.00 0.00 175.29 175.77 1nmb s GLN 90 N -1.39 2.03 -0.09 1.67 1.03 -0.66 -0.98 119.66 121.27 1nmb s GLN 90 Ca -0.11 -0.99 0.17 0.00 0.04 0.00 0.00 55.36 54.48 1nmb s GLN 90 Cb -0.01 -2.12 0.38 0.00 0.03 0.00 0.00 33.01 31.29 1nmb s GLN 90 CO 0.07 0.54 1.18 -0.40 -2.54 0.00 0.00 175.29 174.14 1nmb n ASP 91 N 1.83 1.30 -0.10 12.60 5.68 -0.73 -3.13 116.55 134.01 1nmb n ASP 91 Ca -0.16 -2.85 -0.12 0.00 -0.50 0.00 0.00 54.79 51.16 1nmb n ASP 91 Cb 0.52 -0.39 0.01 0.00 -1.14 0.00 0.00 41.12 40.11 1nmb n ASP 91 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1nmb h PHE 92 N 0.85 1.03 -4.16 2.11 3.57 -1.85 -3.46 116.94 115.03 1nmb h PHE 92 Ca -0.10 -0.30 -0.20 0.00 3.53 0.00 0.00 57.97 60.89 1nmb h PHE 92 Cb 1.43 -0.22 -0.11 0.00 2.79 0.00 0.00 35.95 39.85 1nmb h PHE 92 CO 0.40 1.10 -0.32 -0.08 -2.23 0.00 0.00 178.31 177.17 1nmb s THR 93 N -4.38 0.00 -0.06 4.41 -1.32 -1.26 -5.10 115.64 107.94 1nmb s THR 93 Ca -0.10 -1.69 -0.07 0.00 -1.21 0.00 0.00 61.69 58.62 1nmb s THR 93 Cb 0.11 -2.43 -0.04 0.00 -1.51 0.00 0.00 72.50 68.63 1nmb s THR 93 CO 0.87 0.00 0.21 -0.76 -2.21 0.00 0.00 174.62 172.73 1nmb s LEU 94 N -3.15 4.39 0.72 9.08 1.02 -1.26 -3.70 118.68 125.79 1nmb s LEU 94 Ca 0.31 0.53 -0.11 0.00 0.02 0.00 0.00 54.13 54.88 1nmb s LEU 94 Cb 0.02 -2.37 0.03 0.00 0.02 0.00 0.00 46.19 43.89 1nmb s LEU 94 CO 0.14 0.34 1.10 -2.16 0.02 0.00 0.00 176.35 175.79 1nmb s PRO 95 N -1.36 2.65 0.36 1.29 0.04 -1.26 -5.01 135.00 131.72 1nmb s PRO 95 Ca 0.21 0.35 -0.24 0.00 0.04 0.00 0.00 61.00 61.35 1nmb s PRO 95 Cb -0.13 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1nmb s PRO 95 CO 0.10 -1.15 0.95 -0.06 0.04 0.00 0.00 177.00 176.89 1nmb s PHE 96 N -3.39 3.55 0.14 0.56 0.08 -1.24 -4.83 117.98 112.85 1nmb s PHE 96 Ca 0.59 1.72 0.04 0.00 0.12 0.00 0.00 56.93 59.40 1nmb s PHE 96 Cb -0.11 -2.91 -0.04 0.00 -0.57 0.00 0.00 43.02 39.38 1nmb s PHE 96 CO 0.51 0.06 -0.09 0.95 -0.10 0.00 0.00 175.22 176.55 1nmb s THR 97 N -1.79 1.06 0.12 0.64 -4.23 -1.18 -5.00 115.64 105.25 1nmb s THR 97 Ca 0.54 -2.04 0.06 0.00 -1.18 0.00 0.00 61.69 59.08 1nmb s THR 97 Cb -0.16 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 1nmb s THR 97 CO 0.21 -0.73 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.04 1nmb s PHE 98 N -3.40 1.43 0.88 3.99 0.40 -1.26 -1.66 117.98 118.36 1nmb s PHE 98 Ca 0.17 -0.53 -0.15 0.00 -0.60 0.00 0.00 56.93 55.82 1nmb s PHE 98 Cb 0.03 -0.75 0.20 0.00 0.51 0.00 0.00 43.02 43.01 1nmb s PHE 98 CO 0.00 0.15 1.19 0.41 0.70 0.00 0.00 175.22 177.67 1nmb n GLY 99 N 0.66 -1.49 0.17 4.36 0.00 -0.24 -4.44 105.19 104.21 1nmb n GLY 99 Ca -0.16 -1.70 0.01 0.00 0.00 0.00 0.00 46.02 44.16 1nmb n GLY 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nmb h GLY 100 N -1.58 0.02 0.00 -0.02 0.00 -1.82 -3.45 103.07 96.22 1nmb h GLY 100 Ca -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1nmb h GLY 100 CO 0.27 0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.44 1nmb n GLY 101 N -0.16 2.35 2.78 4.60 0.00 -1.26 -5.03 105.19 108.47 1nmb n GLY 101 Ca -0.02 -1.97 -0.17 0.00 0.00 0.00 0.00 46.02 43.87 1nmb n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nmb s THR 102 N -2.69 -0.38 -0.26 2.61 2.01 -0.48 -4.26 115.64 112.19 1nmb s THR 102 Ca 0.00 -0.17 -0.26 0.00 0.31 0.00 0.00 61.69 61.57 1nmb s THR 102 Cb 0.00 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.76 1nmb s THR 102 CO 0.00 -0.23 0.92 -0.75 -0.69 0.00 0.00 174.62 173.87 1nmb s LYS 103 N 2.37 4.15 0.11 4.92 2.47 0.91 -1.96 119.74 132.71 1nmb s LYS 103 Ca 0.08 1.02 -0.23 0.00 -1.56 0.00 0.00 55.97 55.28 1nmb s LYS 103 Cb -0.15 -3.67 -0.07 0.00 -1.46 0.00 0.00 37.83 32.47 1nmb s LYS 103 CO -0.16 -0.64 0.71 -1.17 0.16 0.00 0.00 175.35 174.25 1nmb s LEU 104 N 3.10 4.54 0.24 5.43 2.96 -0.87 -1.03 118.68 133.05 1nmb s LEU 104 Ca 0.39 1.48 0.01 0.00 -0.22 0.00 0.00 54.13 55.79 1nmb s LEU 104 Cb -0.14 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.35 1nmb s LEU 104 CO 0.09 0.19 0.14 -1.83 -1.32 0.00 0.00 176.35 173.62 1nmb s GLU 105 N -0.89 1.37 -0.08 1.98 -1.05 0.98 -4.38 118.70 116.64 1nmb s GLU 105 Ca 0.34 -1.75 -0.05 0.00 -0.15 0.00 0.00 54.97 53.37 1nmb s GLU 105 Cb -0.21 0.06 -0.04 0.00 -0.44 0.00 0.00 34.13 33.50 1nmb s GLU 105 CO 0.23 -0.39 0.11 0.42 0.95 0.00 0.00 175.26 176.58 1nmb s ILE 106 N -3.89 5.18 -0.26 1.83 -1.09 -1.26 -0.02 121.20 121.69 1nmb s ILE 106 Ca 0.38 -0.01 -0.18 0.00 -2.23 0.00 0.00 60.65 58.62 1nmb s ILE 106 Cb 0.07 -3.28 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 1nmb s ILE 106 CO 0.15 0.54 0.51 -0.60 -1.23 0.00 0.00 174.94 174.31 1nmb s ARG 107 N -1.23 4.07 0.06 2.79 6.06 0.61 -4.66 118.95 126.66 1nmb s ARG 107 Ca 0.18 0.32 0.01 0.00 -2.50 0.00 0.00 55.73 53.74 1nmb s ARG 107 Cb -0.12 -3.65 -0.00 0.00 0.06 0.00 0.00 34.95 31.24 1nmb s ARG 107 CO 0.07 -0.34 0.07 2.89 -2.50 0.00 0.00 175.30 175.48 1nmb n ARG 108 N 5.51 0.09 0.00 5.12 -4.01 -1.26 -4.81 116.66 117.30 1nmb n ARG 108 Ca -0.04 -0.60 0.01 0.00 -1.04 0.00 0.00 57.85 56.18 1nmb n ARG 108 Cb 0.50 0.52 0.09 0.00 -3.04 0.00 0.00 32.46 30.52 1nmb n ARG 108 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59