#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x3g h ASP 2 N 0.00 0.93 -0.50 1.61 3.32 -2.05 -2.93 116.42 116.81 2x3g h ASP 2 Ca 0.00 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.77 2x3g h ASP 2 Cb 0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 2x3g h ASP 2 CO 0.00 0.87 -0.04 0.25 -1.72 0.00 0.00 179.24 178.60 2x3g h LEU 3 N 0.94 0.90 -1.04 1.55 5.85 -2.02 0.21 115.31 121.70 2x3g h LEU 3 Ca 0.21 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2x3g h LEU 3 Cb 0.26 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2x3g h LEU 3 CO -0.01 1.02 0.44 0.07 -0.34 0.00 0.00 178.44 179.61 2x3g h LYS 4 N 0.77 1.11 -0.24 1.25 5.09 -2.00 0.91 116.57 123.45 2x3g h LYS 4 Ca 0.14 -0.12 -0.04 0.00 0.09 0.00 0.00 60.65 60.72 2x3g h LYS 4 Cb 0.58 -0.22 -0.01 0.00 0.10 0.00 0.00 32.23 32.68 2x3g h LYS 4 CO 0.03 0.81 0.01 0.87 -2.09 0.00 0.00 179.45 179.08 2x3g h LYS 5 N 1.11 0.43 -0.60 0.07 1.57 -1.23 -1.67 116.57 116.25 2x3g h LYS 5 Ca 0.28 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 58.99 2x3g h LYS 5 Cb 0.02 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 2x3g h LYS 5 CO -0.05 0.59 0.32 0.28 -0.57 0.00 0.00 179.45 180.03 2x3g h VAL 6 N 0.21 0.95 -0.38 0.50 2.07 -0.10 -0.22 116.25 119.28 2x3g h VAL 6 Ca 0.07 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2x3g h VAL 6 Cb 0.40 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2x3g h VAL 6 CO 0.01 0.11 0.10 -0.07 0.02 0.00 0.00 177.57 177.74 2x3g h LEU 7 N 0.60 0.57 -0.30 2.57 3.38 -0.73 0.07 115.31 121.47 2x3g h LEU 7 Ca 0.27 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2x3g h LEU 7 Cb 0.17 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2x3g h LEU 7 CO -0.18 0.65 0.06 -1.13 0.09 0.00 0.00 178.44 177.93 2x3g h ASN 8 N 0.46 0.01 -0.40 -0.43 -0.73 -0.89 -2.47 115.58 111.14 2x3g h ASN 8 Ca 0.12 0.05 -0.13 0.00 1.87 0.00 0.00 56.30 58.21 2x3g h ASN 8 Cb 0.30 0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.94 2x3g h ASN 8 CO 0.00 0.04 -0.25 -0.26 -0.37 0.00 0.00 177.43 176.59 2x3g h PHE 9 N 0.17 1.02 -0.98 0.67 0.04 -0.98 -2.56 116.94 114.31 2x3g h PHE 9 Ca 0.14 -0.27 0.13 0.00 2.80 0.00 0.00 57.97 60.77 2x3g h PHE 9 Cb 0.15 -0.23 -0.08 0.00 2.20 0.00 0.00 35.95 37.98 2x3g h PHE 9 CO -0.17 1.06 0.62 1.25 -0.60 0.00 0.00 178.31 180.47 2x3g h HIS 10 N 0.69 1.08 -0.61 -0.55 2.76 -0.76 -1.34 115.15 116.42 2x3g h HIS 10 Ca 0.08 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2x3g h HIS 10 Cb 0.82 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.44 2x3g h HIS 10 CO 0.06 0.40 0.00 1.19 -1.30 0.00 0.00 177.93 178.28 2x3g n PHE 11 N -4.62 1.27 0.00 5.26 3.72 -0.95 -4.08 117.46 118.05 2x3g n PHE 11 Ca 0.19 -0.60 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 2x3g n PHE 11 Cb 0.40 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 2x3g n PHE 11 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2x3g n SER 12 N 1.04 0.27 -4.63 4.37 3.41 -0.75 -5.05 113.62 112.29 2x3g n SER 12 Ca 0.24 -0.36 -0.32 0.00 -0.26 0.00 0.00 58.87 58.17 2x3g n SER 12 Cb 0.80 0.76 -0.10 0.00 -0.26 0.00 0.00 64.21 65.42 2x3g n SER 12 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2x3g s TYR 13 N -0.82 2.97 0.14 7.33 2.02 -0.58 -5.03 117.35 123.38 2x3g s TYR 13 Ca 0.00 0.01 -0.14 0.00 -0.37 0.00 0.00 57.07 56.58 2x3g s TYR 13 Cb 0.00 -1.64 0.02 0.00 -0.40 0.00 0.00 41.96 39.94 2x3g s TYR 13 CO 0.00 0.41 1.66 0.82 -1.57 0.00 0.00 175.55 176.87 2x3g h ILE 14 N 3.71 1.23 -3.30 2.71 2.04 -1.87 -3.42 117.51 118.60 2x3g h ILE 14 Ca -0.49 -0.79 -0.67 0.00 1.00 0.00 0.00 64.86 63.92 2x3g h ILE 14 Cb 1.17 0.85 -0.30 0.00 -0.74 0.00 0.00 36.82 37.79 2x3g h ILE 14 CO 0.55 0.28 -0.82 -0.31 0.00 0.00 0.00 178.15 177.85 2x3g s TYR 15 N -5.36 2.71 -0.27 1.37 2.02 0.12 -5.02 117.35 112.93 2x3g s TYR 15 Ca -0.13 -0.95 0.03 0.00 -0.37 0.00 0.00 57.07 55.65 2x3g s TYR 15 Cb 0.11 -1.81 0.06 0.00 -0.40 0.00 0.00 41.96 39.92 2x3g s TYR 15 CO 0.78 -0.39 -0.09 0.99 -1.57 0.00 0.00 175.55 175.27 2x3g s THR 16 N 0.52 2.25 -0.20 -0.71 2.01 -1.26 -1.25 115.64 117.01 2x3g s THR 16 Ca -0.12 -1.66 -0.09 0.00 0.31 0.00 0.00 61.69 60.14 2x3g s THR 16 Cb -0.16 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 2x3g s THR 16 CO 0.04 -0.07 0.10 -0.31 -0.69 0.00 0.00 174.62 173.70 2x3g s TYR 17 N 1.10 3.31 -0.37 4.92 2.02 0.17 -0.52 117.35 127.98 2x3g s TYR 17 Ca -0.08 0.17 -0.10 0.00 -0.37 0.00 0.00 57.07 56.70 2x3g s TYR 17 Cb -0.20 -2.15 0.03 0.00 -0.40 0.00 0.00 41.96 39.25 2x3g s TYR 17 CO -0.05 0.17 0.18 0.12 -1.57 0.00 0.00 175.55 174.40 2x3g s PHE 18 N 0.53 3.25 -0.16 2.71 5.36 0.23 -0.75 117.98 129.15 2x3g s PHE 18 Ca 0.06 -1.13 -0.02 0.00 -0.96 0.00 0.00 56.93 54.87 2x3g s PHE 18 Cb -0.12 -2.42 -0.02 0.00 -0.34 0.00 0.00 43.02 40.12 2x3g s PHE 18 CO 0.00 -0.69 -0.07 0.42 -1.46 0.00 0.00 175.22 173.42 2x3g s ILE 19 N 1.50 3.42 -0.12 3.12 1.01 0.41 -1.40 121.20 129.14 2x3g s ILE 19 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2x3g s ILE 19 Cb -0.19 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 2x3g s ILE 19 CO 0.05 0.48 -0.13 -0.89 0.00 0.00 0.00 174.94 174.45 2x3g s THR 20 N 0.68 3.03 -0.09 2.92 2.01 -0.51 -0.44 115.64 123.24 2x3g s THR 20 Ca -0.04 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.31 2x3g s THR 20 Cb -0.15 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.11 2x3g s THR 20 CO 0.02 0.53 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.70 2x3g s ILE 21 N 0.25 1.41 0.01 1.82 1.09 -0.26 -1.23 121.20 124.30 2x3g s ILE 21 Ca -0.09 -0.61 0.07 0.00 -1.10 0.00 0.00 60.65 58.91 2x3g s ILE 21 Cb -0.16 -1.28 -0.02 0.00 -1.06 0.00 0.00 42.46 39.94 2x3g s ILE 21 CO 0.05 0.42 -0.20 -0.89 -0.10 0.00 0.00 174.94 174.22 2x3g s THR 22 N 0.82 1.62 0.26 2.92 2.01 0.10 -0.43 115.64 122.94 2x3g s THR 22 Ca -0.11 -1.02 0.07 0.00 0.31 0.00 0.00 61.69 60.95 2x3g s THR 22 Cb -0.16 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 2x3g s THR 22 CO 0.01 0.33 -0.09 0.42 -0.69 0.00 0.00 174.62 174.60 2x3g s THR 23 N -0.63 1.74 -0.33 -0.82 -4.23 -0.46 -0.16 115.64 110.75 2x3g s THR 23 Ca 0.08 -2.17 0.10 0.00 -1.18 0.00 0.00 61.69 58.51 2x3g s THR 23 Cb -0.08 -2.34 0.69 0.00 1.34 0.00 0.00 72.50 72.11 2x3g s THR 23 CO 0.00 -0.38 1.75 -0.46 -0.54 0.00 0.00 174.62 174.99 2x3g n ASN 24 N -0.54 4.30 -3.85 3.99 6.94 -1.26 -2.64 115.26 122.20 2x3g n ASN 24 Ca -0.06 -3.33 -0.11 0.00 -0.02 0.00 0.00 54.58 51.06 2x3g n ASN 24 Cb 0.62 -0.73 -0.09 0.00 -2.36 0.00 0.00 39.78 37.23 2x3g n ASN 24 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2x3g s TYR 25 N -3.06 0.04 -0.51 -2.53 1.13 -1.19 -4.54 117.35 106.68 2x3g s TYR 25 Ca 0.53 -0.22 0.15 0.00 -1.41 0.00 0.00 57.07 56.13 2x3g s TYR 25 Cb 0.43 -0.03 -0.19 0.00 -1.10 0.00 0.00 41.96 41.07 2x3g s TYR 25 CO 0.11 -0.39 0.56 1.63 -2.51 0.00 0.00 175.55 174.95 2x3g n LYS 26 N 0.91 1.49 -2.09 -3.49 5.02 -1.25 -3.29 118.16 115.47 2x3g n LYS 26 Ca -0.20 -0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.69 2x3g n LYS 26 Cb 0.58 -1.27 0.02 0.00 -0.02 0.00 0.00 35.03 34.34 2x3g n LYS 26 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2x3g s TYR 27 N -2.65 2.52 0.00 2.13 1.13 -1.26 -4.87 117.35 114.35 2x3g s TYR 27 Ca 0.02 1.53 0.00 0.00 -1.41 0.00 0.00 57.07 57.22 2x3g s TYR 27 Cb 0.11 -3.38 0.00 0.00 -1.10 0.00 0.00 41.96 37.60 2x3g s TYR 27 CO 0.64 -1.91 0.00 0.41 -2.51 0.00 0.00 175.55 172.18 2x3g n GLY 28 N 0.28 2.13 2.90 5.49 0.00 -1.26 -5.03 105.19 109.69 2x3g n GLY 28 Ca 0.13 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 2x3g n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2x3g s ASP 29 N 0.00 4.33 0.50 1.61 -1.08 -1.26 -4.97 116.67 115.81 2x3g s ASP 29 Ca 0.00 -2.37 0.23 0.00 -0.52 0.00 0.00 52.55 49.90 2x3g s ASP 29 Cb 0.00 -1.39 1.34 0.00 -1.46 0.00 0.00 42.92 41.40 2x3g s ASP 29 CO 0.00 -0.33 2.06 0.74 0.52 0.00 0.00 175.17 178.16 2x3g h THR 30 N 6.07 0.75 0.23 1.71 2.02 -1.96 -0.27 112.91 121.46 2x3g h THR 30 Ca -0.06 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 2x3g h THR 30 Cb 0.97 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2x3g h THR 30 CO 0.55 0.13 -0.11 -0.33 0.37 0.00 0.00 175.52 176.13 2x3g h GLU 31 N 0.00 -0.29 -0.73 6.66 5.08 -1.99 -1.65 114.58 121.66 2x3g h GLU 31 Ca -0.00 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2x3g h GLU 31 Cb 0.30 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2x3g h GLU 31 CO 0.02 -0.01 0.36 -0.22 -1.00 0.00 0.00 179.01 178.16 2x3g h LYS 32 N -0.57 1.05 0.60 2.33 3.64 -1.82 0.12 116.57 121.91 2x3g h LYS 32 Ca -0.03 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 2x3g h LYS 32 Cb 0.42 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2x3g h LYS 32 CO 0.05 0.82 -0.33 0.82 -2.27 0.00 0.00 179.45 178.53 2x3g h ILE 33 N 1.02 0.32 -0.50 2.00 2.04 -1.10 -0.11 117.51 121.19 2x3g h ILE 33 Ca 0.25 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.10 2x3g h ILE 33 Cb 0.11 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2x3g h ILE 33 CO -0.03 0.00 0.25 -0.26 0.00 0.00 0.00 178.15 178.11 2x3g h PHE 34 N -0.87 0.70 0.06 1.37 -1.00 -1.18 0.08 116.94 116.09 2x3g h PHE 34 Ca -0.08 -0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.69 2x3g h PHE 34 Cb 0.69 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 40.02 2x3g h PHE 34 CO -0.07 0.54 -0.11 -0.09 -1.61 0.00 0.00 178.31 176.97 2x3g h ARG 35 N 0.66 -0.21 -0.37 1.51 2.43 -0.92 0.20 114.38 117.68 2x3g h ARG 35 Ca 0.17 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 2x3g h ARG 35 Cb 0.09 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2x3g h ARG 35 CO -0.02 -0.14 -0.08 0.87 -1.51 0.00 0.00 179.97 179.08 2x3g h LYS 36 N -0.22 0.62 -0.38 0.20 1.57 -0.89 0.14 116.57 117.60 2x3g h LYS 36 Ca 0.02 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2x3g h LYS 36 Cb 0.24 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2x3g h LYS 36 CO -0.06 0.70 0.19 0.35 -0.57 0.00 0.00 179.45 180.06 2x3g h PHE 37 N 0.58 0.55 -0.70 -1.35 3.57 -0.78 -1.24 116.94 117.57 2x3g h PHE 37 Ca 0.11 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2x3g h PHE 37 Cb 0.49 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 2x3g h PHE 37 CO 0.02 0.45 0.32 0.00 -2.23 0.00 0.00 178.31 176.87 2x3g h ARG 38 N 0.48 1.00 -0.44 1.11 3.08 0.13 -1.38 114.38 118.36 2x3g h ARG 38 Ca 0.13 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2x3g h ARG 38 Cb 0.10 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2x3g h ARG 38 CO -0.02 0.78 -0.01 0.77 -1.07 0.00 0.00 179.97 180.42 2x3g h SER 39 N 0.99 0.78 -0.34 7.04 0.02 -0.83 0.21 113.55 121.42 2x3g h SER 39 Ca 0.24 -0.31 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2x3g h SER 39 Cb 0.12 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.40 2x3g h SER 39 CO -0.03 0.90 0.05 0.22 -1.14 0.00 0.00 176.83 176.84 2x3g h TYR 40 N 0.63 0.09 -0.58 3.45 5.03 -0.94 -0.33 116.97 124.32 2x3g h TYR 40 Ca 0.12 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.37 2x3g h TYR 40 Cb 0.51 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.78 2x3g h TYR 40 CO 0.04 0.00 0.04 0.82 -1.32 0.00 0.00 178.16 177.74 2x3g h ILE 41 N 0.17 1.26 -0.66 1.81 1.08 -1.00 -0.62 117.51 119.55 2x3g h ILE 41 Ca 0.16 -1.07 0.07 0.00 -0.39 0.00 0.00 64.86 63.63 2x3g h ILE 41 Cb 0.19 0.82 -0.06 0.00 -3.07 0.00 0.00 36.82 34.69 2x3g h ILE 41 CO -0.22 0.39 0.34 0.22 -0.69 0.00 0.00 178.15 178.19 2x3g h TYR 42 N 0.89 0.61 -0.06 1.37 3.20 -0.42 0.31 116.97 122.88 2x3g h TYR 42 Ca 0.17 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.98 2x3g h TYR 42 Cb 0.50 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2x3g h TYR 42 CO 0.04 0.25 -0.38 -0.91 -1.64 0.00 0.00 178.16 175.52 2x3g h ASN 43 N 0.60 0.12 -0.55 -2.11 2.35 -0.71 -2.68 115.58 112.61 2x3g h ASN 43 Ca 0.31 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.93 2x3g h ASN 43 Cb 0.27 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2x3g h ASN 43 CO -0.23 0.49 0.01 -0.74 -1.65 0.00 0.00 177.43 175.32 2x3g h HIS 44 N 0.10 1.04 -1.28 1.19 -0.00 -0.35 -3.43 115.15 112.42 2x3g h HIS 44 Ca 0.01 -0.18 0.01 0.00 -0.00 0.00 0.00 60.37 60.21 2x3g h HIS 44 Cb 0.72 -0.27 -0.24 0.00 -0.00 0.00 0.00 27.41 27.62 2x3g h HIS 44 CO 0.01 0.95 -0.34 0.34 -0.00 0.00 0.00 177.93 178.88 2x3g s ASP 45 N -6.44 -0.87 0.37 3.26 2.15 0.03 -4.96 116.67 110.21 2x3g s ASP 45 Ca -0.12 0.66 0.28 0.00 0.43 0.00 0.00 52.55 53.80 2x3g s ASP 45 Cb 0.12 1.83 1.18 0.00 -0.30 0.00 0.00 42.92 45.75 2x3g s ASP 45 CO 0.84 -0.27 1.82 0.11 -0.17 0.00 0.00 175.17 177.50 2x3g h LYS 46 N 8.06 0.00 -0.01 4.34 1.57 -1.73 -2.01 116.57 126.80 2x3g h LYS 46 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2x3g h LYS 46 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2x3g h LYS 46 CO 0.26 0.00 -0.12 0.09 -0.57 0.00 0.00 179.45 179.12 2x3g n ASN 47 N -2.55 1.05 -4.75 0.86 3.02 -1.26 -4.99 115.26 106.64 2x3g n ASN 47 Ca 0.01 -1.08 -0.32 0.00 -0.03 0.00 0.00 54.58 53.17 2x3g n ASN 47 Cb 0.24 0.04 0.10 0.00 -0.61 0.00 0.00 39.78 39.54 2x3g n ASN 47 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2x3g s SER 48 N -2.28 4.29 0.07 6.41 1.04 -0.75 -4.96 113.70 117.53 2x3g s SER 48 Ca 0.32 1.97 0.06 0.00 0.48 0.00 0.00 55.95 58.78 2x3g s SER 48 Cb 0.20 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.75 2x3g s SER 48 CO 0.43 -2.18 -0.16 -1.00 0.98 0.00 0.00 173.24 171.31 2x3g s HIS 49 N -2.67 1.36 -0.05 5.02 3.76 -0.61 -4.97 115.29 117.12 2x3g s HIS 49 Ca 0.64 -0.43 -0.00 0.00 -0.15 0.00 0.00 55.06 55.12 2x3g s HIS 49 Cb -0.20 -0.77 0.03 0.00 1.11 0.00 0.00 32.58 32.75 2x3g s HIS 49 CO 0.53 0.08 -0.01 0.08 -0.85 0.00 0.00 174.74 174.58 2x3g s VAL 50 N -1.15 0.32 -0.14 -0.90 1.01 -1.26 -0.95 120.40 117.33 2x3g s VAL 50 Ca 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2x3g s VAL 50 Cb -0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 2x3g s VAL 50 CO 0.02 0.21 -0.11 0.12 0.00 0.00 0.00 175.10 175.35 2x3g s PHE 51 N 1.44 2.87 0.02 5.22 5.36 0.21 -4.98 117.98 128.12 2x3g s PHE 51 Ca -0.03 -0.55 0.02 0.00 -0.96 0.00 0.00 56.93 55.40 2x3g s PHE 51 Cb -0.13 -1.88 -0.02 0.00 -0.34 0.00 0.00 43.02 40.66 2x3g s PHE 51 CO -0.03 -0.17 -0.07 -1.54 -1.46 0.00 0.00 175.22 171.96 2x3g s SER 52 N 0.36 0.77 -0.04 6.13 1.04 -1.26 -0.22 113.70 120.47 2x3g s SER 52 Ca -0.09 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 55.97 2x3g s SER 52 Cb -0.15 -0.00 0.02 0.00 0.10 0.00 0.00 66.02 65.98 2x3g s SER 52 CO 0.05 -0.10 -0.04 -0.63 0.98 0.00 0.00 173.24 173.50 2x3g s ILE 53 N -0.90 0.49 -0.23 -1.02 -1.09 0.04 -5.01 121.20 113.47 2x3g s ILE 53 Ca -0.05 -0.10 -0.08 0.00 -2.23 0.00 0.00 60.65 58.19 2x3g s ILE 53 Cb -0.07 -0.52 -0.04 0.00 -1.58 0.00 0.00 42.46 40.26 2x3g s ILE 53 CO 0.00 0.21 0.09 -0.75 -1.23 0.00 0.00 174.94 173.26 2x3g s LYS 54 N 0.88 3.79 -0.22 2.79 2.20 -1.26 -1.27 119.74 126.64 2x3g s LYS 54 Ca -0.11 -0.42 -0.15 0.00 -0.36 0.00 0.00 55.97 54.92 2x3g s LYS 54 Cb -0.14 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 2x3g s LYS 54 CO 0.00 -0.06 0.38 -1.21 -0.36 0.00 0.00 175.35 174.10 2x3g s GLU 55 N 1.29 4.13 -0.17 4.03 2.02 0.11 -5.03 118.70 125.08 2x3g s GLU 55 Ca 0.05 0.14 -0.01 0.00 0.02 0.00 0.00 54.97 55.17 2x3g s GLU 55 Cb -0.15 -3.57 -0.00 0.00 0.10 0.00 0.00 34.13 30.51 2x3g s GLU 55 CO 0.04 -0.10 -0.13 -0.08 0.02 0.00 0.00 175.26 175.01 2x3g s THR 56 N 1.50 2.82 0.13 3.63 -1.32 -1.26 -4.04 115.64 117.10 2x3g s THR 56 Ca 0.17 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 2x3g s THR 56 Cb -0.15 -2.21 0.00 0.00 -1.51 0.00 0.00 72.50 68.63 2x3g s THR 56 CO 0.08 0.50 0.00 -0.24 -2.21 0.00 0.00 174.62 172.75 2x3g n SER 60 N 4.21 0.74 0.05 8.08 2.88 -1.26 -5.16 113.62 123.16 2x3g n SER 60 Ca -0.19 0.21 -0.09 0.00 -1.33 0.00 0.00 58.87 57.47 2x3g n SER 60 Cb 0.51 -0.15 -0.13 0.00 -0.75 0.00 0.00 64.21 63.70 2x3g n SER 60 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2x3g h ASN 61 N 0.00 0.06 -1.02 -3.46 -1.07 -1.94 -3.48 115.58 104.67 2x3g h ASN 61 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 56.30 56.29 2x3g h ASN 61 Cb 0.07 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.30 2x3g h ASN 61 CO 0.00 1.06 0.00 0.61 0.07 0.00 0.00 177.43 179.17 2x3g n GLY 62 N 1.43 4.20 3.93 9.14 0.00 -1.26 -3.19 105.19 119.44 2x3g n GLY 62 Ca -0.06 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 2x3g n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x3g s LEU 63 N 0.00 4.33 -0.12 0.99 1.43 -1.08 -4.77 118.68 119.46 2x3g s LEU 63 Ca 0.00 0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 53.35 2x3g s LEU 63 Cb 0.00 -3.00 0.05 0.00 0.03 0.00 0.00 46.19 43.27 2x3g s LEU 63 CO 0.00 0.11 0.08 -2.28 0.23 0.00 0.00 176.35 174.49 2x3g s HIS 64 N -1.62 0.12 0.02 0.29 2.46 -1.26 -1.35 115.29 113.95 2x3g s HIS 64 Ca 0.36 -0.06 0.08 0.00 0.47 0.00 0.00 55.06 55.90 2x3g s HIS 64 Cb -0.12 -0.59 -0.03 0.00 -0.13 0.00 0.00 32.58 31.71 2x3g s HIS 64 CO 0.28 -0.39 -0.23 0.71 -2.47 0.00 0.00 174.74 172.64 2x3g s TYR 65 N 2.16 2.42 -0.04 3.88 4.12 0.42 -0.71 117.35 129.61 2x3g s TYR 65 Ca 0.03 -0.35 0.05 0.00 0.02 0.00 0.00 57.07 56.82 2x3g s TYR 65 Cb -0.14 -1.46 -0.01 0.00 -1.52 0.00 0.00 41.96 38.82 2x3g s TYR 65 CO -0.07 0.12 -0.19 -1.01 0.02 0.00 0.00 175.55 174.43 2x3g s HIS 66 N -0.78 1.82 -0.03 2.71 3.76 -0.40 -1.10 115.29 121.27 2x3g s HIS 66 Ca 0.12 -0.48 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 2x3g s HIS 66 Cb -0.10 -1.20 0.03 0.00 1.11 0.00 0.00 32.58 32.41 2x3g s HIS 66 CO 0.02 -0.13 -0.00 0.42 -0.85 0.00 0.00 174.74 174.19 2x3g s ILE 67 N -0.13 0.22 -0.19 0.60 1.01 0.42 -0.78 121.20 122.35 2x3g s ILE 67 Ca -0.01 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.63 2x3g s ILE 67 Cb -0.11 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 2x3g s ILE 67 CO 0.02 0.16 0.08 -0.76 0.00 0.00 0.00 174.94 174.43 2x3g s LEU 68 N 1.03 3.90 -0.19 2.97 1.43 0.69 -0.45 118.68 128.05 2x3g s LEU 68 Ca -0.10 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2x3g s LEU 68 Cb -0.14 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.09 2x3g s LEU 68 CO -0.02 0.16 -0.13 -0.69 0.23 0.00 0.00 176.35 175.91 2x3g s VAL 69 N 0.46 2.69 -0.23 -1.59 1.01 0.07 -0.62 120.40 122.19 2x3g s VAL 69 Ca 0.04 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 2x3g s VAL 69 Cb -0.12 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2x3g s VAL 69 CO 0.00 0.49 0.09 -0.36 0.00 0.00 0.00 175.10 175.32 2x3g s PHE 70 N 1.32 3.17 0.06 5.22 0.40 -0.12 -0.65 117.98 127.37 2x3g s PHE 70 Ca 0.04 -0.13 -0.24 0.00 -0.60 0.00 0.00 56.93 56.01 2x3g s PHE 70 Cb -0.14 -2.21 0.06 0.00 0.51 0.00 0.00 43.02 41.24 2x3g s PHE 70 CO -0.07 -0.13 0.56 -0.08 0.70 0.00 0.00 175.22 176.20 2x3g s THR 71 N 1.20 0.02 -2.03 0.64 -1.32 -0.38 -1.58 115.64 112.19 2x3g s THR 71 Ca 0.05 -0.15 0.19 0.00 -1.21 0.00 0.00 61.69 60.57 2x3g s THR 71 Cb -0.14 -0.99 0.37 0.00 -1.51 0.00 0.00 72.50 70.23 2x3g s THR 71 CO 0.04 -0.09 1.31 0.59 -2.21 0.00 0.00 174.62 174.27 2x3g n ASN 72 N 0.30 3.22 -4.01 8.08 3.02 -1.26 -0.70 115.26 123.91 2x3g n ASN 72 Ca -0.18 -1.92 -0.24 0.00 -0.03 0.00 0.00 54.58 52.21 2x3g n ASN 72 Cb 0.61 -0.23 -0.17 0.00 -0.61 0.00 0.00 39.78 39.38 2x3g n ASN 72 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2x3g s LYS 73 N -1.29 1.57 0.31 3.52 2.20 -1.26 -4.86 119.74 119.94 2x3g s LYS 73 Ca 0.33 -0.37 -0.29 0.00 -0.36 0.00 0.00 55.97 55.28 2x3g s LYS 73 Cb 0.19 -1.32 -0.12 0.00 -1.51 0.00 0.00 37.83 35.07 2x3g s LYS 73 CO 0.27 0.01 1.42 1.63 -0.36 0.00 0.00 175.35 178.33 2x3g n LYS 74 N 3.84 2.34 -2.65 4.03 5.02 -1.26 -4.94 118.16 124.54 2x3g n LYS 74 Ca -0.23 0.83 -0.40 0.00 -2.02 0.00 0.00 58.31 56.48 2x3g n LYS 74 Cb 0.52 -2.50 -0.05 0.00 -0.02 0.00 0.00 35.03 32.97 2x3g n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2x3g s LEU 75 N -0.84 4.59 -0.69 -0.35 1.43 -1.26 -5.01 118.68 116.57 2x3g s LEU 75 Ca 0.60 2.03 -0.26 0.00 -1.03 0.00 0.00 54.13 55.47 2x3g s LEU 75 Cb -0.55 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.09 2x3g s LEU 75 CO 0.57 0.02 1.19 -0.62 0.23 0.00 0.00 176.35 177.74 2x3g s ASP 76 N -0.88 6.22 0.46 2.29 -1.08 -1.26 -4.94 116.67 117.48 2x3g s ASP 76 Ca 0.43 -0.45 0.17 0.00 -0.52 0.00 0.00 52.55 52.19 2x3g s ASP 76 Cb -0.28 -2.53 1.13 0.00 -1.46 0.00 0.00 42.92 39.79 2x3g s ASP 76 CO 0.34 -1.67 1.97 1.88 0.52 0.00 0.00 175.17 178.21 2x3g h TYR 77 N 9.82 0.33 -0.01 -5.34 0.05 -2.01 -1.26 116.97 118.56 2x3g h TYR 77 Ca -0.28 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.50 2x3g h TYR 77 Cb 1.06 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 38.69 2x3g h TYR 77 CO 1.07 0.14 -0.08 0.66 -1.05 0.00 0.00 178.16 178.90 2x3g h SER 78 N 0.30 0.01 0.88 3.88 4.64 -2.01 -2.21 113.55 119.04 2x3g h SER 78 Ca 0.30 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.46 2x3g h SER 78 Cb 0.75 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 2x3g h SER 78 CO -0.07 0.09 -0.72 0.03 -0.87 0.00 0.00 176.83 175.28 2x3g h ARG 79 N 0.01 0.00 -0.50 4.77 2.47 -1.65 -2.36 114.38 117.12 2x3g h ARG 79 Ca 0.00 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.77 2x3g h ARG 79 Cb 0.15 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.42 2x3g h ARG 79 CO 0.01 0.72 0.24 0.28 0.56 0.00 0.00 179.97 181.79 2x3g h VAL 80 N 0.00 0.94 -0.55 2.04 2.07 -1.39 -1.35 116.25 118.01 2x3g h VAL 80 Ca -0.01 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 2x3g h VAL 80 Cb 1.36 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2x3g h VAL 80 CO 0.09 0.09 -0.05 0.45 0.02 0.00 0.00 177.57 178.17 2x3g h HIS 81 N 0.47 1.09 -0.06 1.57 3.86 -1.41 -2.82 115.15 117.86 2x3g h HIS 81 Ca 0.23 -0.20 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 2x3g h HIS 81 Cb 0.15 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 2x3g h HIS 81 CO -0.11 1.00 -0.11 -0.22 0.86 0.00 0.00 177.93 179.35 2x3g h LYS 82 N 0.90 0.09 -2.25 2.45 3.64 -1.05 -3.43 116.57 116.93 2x3g h LYS 82 Ca 0.15 -0.01 -0.78 0.00 -1.27 0.00 0.00 60.65 58.74 2x3g h LYS 82 Cb 0.60 -0.02 -0.25 0.00 -0.41 0.00 0.00 32.23 32.15 2x3g h LYS 82 CO 0.04 0.20 1.21 0.72 -2.27 0.00 0.00 179.45 179.35 2x3g n HIS 83 N -4.36 2.74 -3.10 1.91 8.25 -0.54 -5.02 115.22 115.09 2x3g n HIS 83 Ca -0.02 -2.53 -0.37 0.00 -0.26 0.00 0.00 57.72 54.55 2x3g n HIS 83 Cb 0.21 -1.29 -0.06 0.00 1.12 0.00 0.00 29.99 29.96 2x3g n HIS 83 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2x3g s PRO 85 N -3.75 4.29 0.29 -0.41 0.02 -1.26 -4.57 135.00 129.61 2x3g s PRO 85 Ca 0.44 0.90 -0.30 0.00 0.02 0.00 0.00 61.00 62.06 2x3g s PRO 85 Cb 0.24 -2.96 -0.12 0.00 0.02 0.00 0.00 34.50 31.68 2x3g s PRO 85 CO -0.18 0.44 1.44 0.45 -0.33 0.00 0.00 177.00 178.81 2x3g n SER 86 N 0.91 3.16 -1.56 2.53 2.88 -1.26 -2.30 113.62 117.97 2x3g n SER 86 Ca -0.03 1.17 -0.16 0.00 -1.33 0.00 0.00 58.87 58.51 2x3g n SER 86 Cb 0.51 -1.51 -0.04 0.00 -0.75 0.00 0.00 64.21 62.42 2x3g n SER 86 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2x3g n HIS 87 N 1.41 -0.40 -2.13 0.66 8.25 -1.26 -4.98 115.22 116.77 2x3g n HIS 87 Ca 0.08 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.17 2x3g n HIS 87 Cb 0.35 -3.08 0.01 0.00 1.12 0.00 0.00 29.99 28.39 2x3g n HIS 87 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2x3g s SER 88 N -2.54 5.87 -0.32 0.41 0.01 -0.97 -4.84 113.70 111.32 2x3g s SER 88 Ca 0.00 2.42 -0.22 0.00 1.31 0.00 0.00 55.95 59.45 2x3g s SER 88 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2x3g s SER 88 CO 0.00 -1.13 0.74 -1.81 0.41 0.00 0.00 173.24 171.45 2x3g s ASP 89 N -1.30 6.59 -0.06 2.44 1.01 0.77 -4.94 116.67 121.18 2x3g s ASP 89 Ca 0.67 0.51 0.05 0.00 0.71 0.00 0.00 52.55 54.49 2x3g s ASP 89 Cb -0.31 -2.38 -0.00 0.00 1.01 0.00 0.00 42.92 41.23 2x3g s ASP 89 CO 0.37 -0.61 -0.21 -0.63 0.21 0.00 0.00 175.17 174.31 2x3g s ILE 90 N 2.89 1.75 -0.03 0.77 1.01 -1.26 -0.72 121.20 125.61 2x3g s ILE 90 Ca 0.30 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 60.12 2x3g s ILE 90 Cb -0.14 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 2x3g s ILE 90 CO 0.13 0.49 -0.19 -0.60 0.00 0.00 0.00 174.94 174.77 2x3g s ARG 91 N 0.04 1.76 -0.07 2.79 3.52 -0.36 -4.99 118.95 121.64 2x3g s ARG 91 Ca -0.07 -0.68 0.03 0.00 -0.13 0.00 0.00 55.73 54.88 2x3g s ARG 91 Cb -0.14 -1.60 0.01 0.00 -1.56 0.00 0.00 34.95 31.66 2x3g s ARG 91 CO 0.04 0.35 -0.14 0.42 -0.81 0.00 0.00 175.30 175.16 2x3g s ILE 92 N -0.23 1.27 0.02 4.11 1.01 -1.26 -1.42 121.20 124.69 2x3g s ILE 92 Ca 0.02 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.14 2x3g s ILE 92 Cb -0.10 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 2x3g s ILE 92 CO 0.01 0.38 -0.12 -1.61 0.00 0.00 0.00 174.94 173.60 2x3g s GLU 93 N 0.55 0.87 -0.18 2.79 2.02 -0.49 -4.99 118.70 119.27 2x3g s GLU 93 Ca -0.14 -0.59 -0.21 0.00 0.02 0.00 0.00 54.97 54.05 2x3g s GLU 93 Cb -0.16 -0.84 -0.03 0.00 0.10 0.00 0.00 34.13 33.20 2x3g s GLU 93 CO 0.04 0.22 0.62 -0.51 0.02 0.00 0.00 175.26 175.65 2x3g s LEU 94 N -0.78 4.17 -0.23 1.80 1.43 -1.26 -0.60 118.68 123.20 2x3g s LEU 94 Ca 0.02 0.86 -0.26 0.00 -1.03 0.00 0.00 54.13 53.72 2x3g s LEU 94 Cb -0.06 -2.88 -0.00 0.00 0.03 0.00 0.00 46.19 43.27 2x3g s LEU 94 CO 0.00 -0.23 0.88 -0.69 0.23 0.00 0.00 176.35 176.54 2x3g s VAL 95 N 1.70 4.80 0.76 -1.59 1.01 0.32 -4.96 120.40 122.44 2x3g s VAL 95 Ca 0.29 1.68 -0.14 0.00 0.00 0.00 0.00 61.98 63.81 2x3g s VAL 95 Cb -0.16 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.11 2x3g s VAL 95 CO 0.11 -0.09 1.20 -2.84 0.00 0.00 0.00 175.10 173.48 2x3g s PRO 96 N 2.86 1.95 -1.22 2.72 0.02 -1.26 -4.64 135.00 135.42 2x3g s PRO 96 Ca 0.37 1.72 -0.13 0.00 0.02 0.00 0.00 61.00 62.98 2x3g s PRO 96 Cb -0.15 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 2x3g s PRO 96 CO 0.07 -1.97 2.30 1.63 -0.33 0.00 0.00 177.00 178.71 2x3g n LYS 97 N -2.99 2.57 -4.33 5.54 4.76 -1.26 -4.57 118.16 117.88 2x3g n LYS 97 Ca 0.13 -2.10 -0.19 0.00 -2.87 0.00 0.00 58.31 53.28 2x3g n LYS 97 Cb 0.51 -2.92 -0.13 0.00 -1.84 0.00 0.00 35.03 30.64 2x3g n LYS 97 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2x3g s SER 98 N 3.44 1.42 0.13 4.39 1.04 -1.26 -5.05 113.70 117.81 2x3g s SER 98 Ca 0.53 -0.39 -0.15 0.00 0.48 0.00 0.00 55.95 56.42 2x3g s SER 98 Cb 0.14 -0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.16 2x3g s SER 98 CO -0.02 0.03 1.64 0.40 0.98 0.00 0.00 173.24 176.26 2x3g h ILE 99 N 4.61 1.23 -0.82 -1.02 2.04 -2.00 -2.59 117.51 118.96 2x3g h ILE 99 Ca -0.36 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 64.77 2x3g h ILE 99 Cb 1.18 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 2x3g h ILE 99 CO 0.45 0.27 0.52 -1.28 0.00 0.00 0.00 178.15 178.11 2x3g h SER 100 N 0.53 0.84 -0.14 1.72 0.87 -1.96 -1.26 113.55 114.16 2x3g h SER 100 Ca 0.13 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2x3g h SER 100 Cb 0.30 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2x3g h SER 100 CO -0.00 0.57 -0.09 0.44 -0.53 0.00 0.00 176.83 177.22 2x3g h ASP 101 N 0.99 0.32 -0.47 6.23 3.32 -1.84 -1.15 116.42 123.82 2x3g h ASP 101 Ca 0.34 -0.44 -0.13 0.00 0.02 0.00 0.00 57.03 56.82 2x3g h ASP 101 Cb 0.06 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2x3g h ASP 101 CO -0.13 0.69 -0.19 -0.29 -1.72 0.00 0.00 179.24 177.59 2x3g h ILE 102 N -0.05 1.27 -0.69 0.35 6.09 -1.35 -1.72 117.51 121.41 2x3g h ILE 102 Ca 0.03 -1.35 -0.05 0.00 -1.37 0.00 0.00 64.86 62.12 2x3g h ILE 102 Cb 0.58 1.09 -0.03 0.00 0.47 0.00 0.00 36.82 38.93 2x3g h ILE 102 CO 0.02 0.47 0.24 0.11 -3.07 0.00 0.00 178.15 175.92 2x3g h LYS 103 N 0.85 1.05 -0.30 2.19 1.57 -1.23 0.70 116.57 121.39 2x3g h LYS 103 Ca 0.12 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 2x3g h LYS 103 Cb 0.76 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 2x3g h LYS 103 CO 0.06 0.88 -0.22 -0.91 -0.57 0.00 0.00 179.45 178.69 2x3g h ASN 104 N 1.02 0.58 0.03 0.86 2.35 -0.98 -0.79 115.58 118.64 2x3g h ASN 104 Ca 0.23 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2x3g h ASN 104 Cb 0.25 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2x3g h ASN 104 CO -0.01 0.79 -0.02 0.58 -1.65 0.00 0.00 177.43 177.12 2x3g h VAL 105 N 0.51 1.20 -0.50 2.81 2.07 -0.91 -1.49 116.25 119.94 2x3g h VAL 105 Ca 0.08 -0.76 0.08 0.00 0.82 0.00 0.00 66.70 66.92 2x3g h VAL 105 Cb 0.66 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 32.07 2x3g h VAL 105 CO 0.05 0.19 0.10 0.22 0.02 0.00 0.00 177.57 178.15 2x3g h TYR 106 N -0.38 0.17 -0.88 1.57 3.20 -0.77 -1.98 116.97 117.90 2x3g h TYR 106 Ca -0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 2x3g h TYR 106 Cb 0.35 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 2x3g h TYR 106 CO 0.04 -0.00 0.58 -0.22 -1.64 0.00 0.00 178.16 176.91 2x3g h LYS 107 N 0.24 1.11 -1.26 1.82 3.64 -1.10 -1.34 116.57 119.68 2x3g h LYS 107 Ca 0.25 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2x3g h LYS 107 Cb 0.33 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2x3g h LYS 107 CO -0.32 0.73 0.00 0.98 -2.27 0.00 0.00 179.45 178.57 2x3g n TYR 108 N -4.51 0.00 0.00 1.91 9.36 -0.57 -2.20 117.16 121.15 2x3g n TYR 108 Ca 0.11 -0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2x3g n TYR 108 Cb 0.06 -0.11 0.00 0.00 -0.63 0.00 0.00 39.34 38.66 2x3g n TYR 108 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2x3g n LEU 110 N 0.69 0.00 0.22 2.98 4.77 -0.51 -4.71 117.00 120.44 2x3g n LEU 110 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 2x3g n LEU 110 Cb 0.13 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.72 2x3g n LEU 110 CO 0.00 0.00 0.90 0.07 -1.33 0.00 0.00 177.39 177.03 2x3g h LYS 111 N 0.00 0.02 -0.02 3.23 2.10 -1.71 -0.54 116.57 119.64 2x3g h LYS 111 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2x3g h LYS 111 Cb 0.00 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2x3g h LYS 111 CO 0.00 0.19 0.00 0.25 -2.00 0.00 0.00 179.45 177.89 2x3g n THR 112 N -4.32 0.01 -0.15 0.07 -2.24 -1.26 -4.11 114.28 102.28 2x3g n THR 112 Ca -0.02 -0.23 0.07 0.00 -2.27 0.00 0.00 64.05 61.60 2x3g n THR 112 Cb 0.24 0.40 0.18 0.00 -2.10 0.00 0.00 70.33 69.05 2x3g n THR 112 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2x3g n LYS 113 N 0.07 2.68 0.00 -0.78 4.76 -0.21 -4.97 118.16 119.70 2x3g n LYS 113 Ca 0.19 -2.10 0.00 0.00 -2.87 0.00 0.00 58.31 53.53 2x3g n LYS 113 Cb 0.33 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 2x3g n LYS 113 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2x3g n LYS 114 N 0.75 3.85 -3.62 1.97 5.02 -1.23 -4.82 118.16 120.08 2x3g n LYS 114 Ca 0.14 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.19 2x3g n LYS 114 Cb 0.46 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.54 2x3g n LYS 114 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2x3g n ASP 115 N 0.00 -5.76 -4.27 4.39 8.00 -1.26 -5.00 116.55 112.65 2x3g n ASP 115 Ca 0.00 -0.58 -0.34 0.00 0.71 0.00 0.00 54.79 54.58 2x3g n ASP 115 Cb 0.00 -4.91 -0.15 0.00 -0.02 0.00 0.00 41.12 36.04 2x3g n ASP 115 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2x3g s ILE 116 N -3.33 2.96 0.12 0.53 1.01 -1.26 -5.25 121.20 115.98 2x3g s ILE 116 Ca 0.53 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.56 2x3g s ILE 116 Cb -0.24 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 2x3g s ILE 116 CO 0.74 0.47 0.12 1.17 0.00 0.00 0.00 174.94 177.45 2x3g n LYS 117 N 4.50 0.17 0.00 2.79 3.00 -1.26 -5.27 118.16 122.09 2x3g n LYS 117 Ca -0.19 -1.19 0.00 0.00 -0.00 0.00 0.00 58.31 56.93 2x3g n LYS 117 Cb 0.51 1.01 0.00 0.00 0.00 0.00 0.00 35.03 36.55 2x3g n LYS 117 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27