#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bcg s GLU 4 N 0.00 3.27 0.06 -1.46 -1.05 -1.26 -5.09 118.70 113.17 2bcg s GLU 4 Ca 0.00 1.10 -0.06 0.00 -0.15 0.00 0.00 54.97 55.85 2bcg s GLU 4 Cb 0.00 -2.03 -0.01 0.00 -0.44 0.00 0.00 34.13 31.65 2bcg s GLU 4 CO 0.00 -0.84 0.12 1.52 0.95 0.00 0.00 175.26 177.02 2bcg s TYR 5 N -2.66 0.21 -0.10 4.83 -0.85 -1.26 -5.04 117.35 112.47 2bcg s TYR 5 Ca 0.61 -0.57 -0.09 0.00 -0.52 0.00 0.00 57.07 56.51 2bcg s TYR 5 Cb -0.15 -0.13 -0.07 0.00 0.38 0.00 0.00 41.96 41.99 2bcg s TYR 5 CO 0.42 -0.43 0.27 -0.44 -1.52 0.00 0.00 175.55 173.84 2bcg h ASP 6 N 3.27 -0.05 -4.36 -0.18 3.32 -0.92 -3.38 116.42 114.13 2bcg h ASP 6 Ca -0.33 -0.22 -0.47 0.00 0.02 0.00 0.00 57.03 56.03 2bcg h ASP 6 Cb 1.18 0.01 -0.21 0.00 0.22 0.00 0.00 39.33 40.53 2bcg h ASP 6 CO 0.54 0.55 -0.80 -0.31 -1.72 0.00 0.00 179.24 177.50 2bcg s TYR 7 N -1.96 1.44 -0.19 4.55 1.51 -0.87 -3.95 117.35 117.88 2bcg s TYR 7 Ca -0.05 -0.45 -0.00 0.00 -1.01 0.00 0.00 57.07 55.56 2bcg s TYR 7 Cb -0.00 -0.80 0.01 0.00 -0.11 0.00 0.00 41.96 41.06 2bcg s TYR 7 CO 0.19 0.12 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.41 2bcg s LEU 8 N -1.82 2.32 0.00 -1.29 2.96 0.38 -0.27 118.68 120.96 2bcg s LEU 8 Ca 0.01 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 2bcg s LEU 8 Cb -0.10 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 2bcg s LEU 8 CO 0.03 0.00 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.59 2bcg s PHE 9 N 1.28 2.76 -0.26 5.38 2.99 -0.27 -4.75 117.98 125.11 2bcg s PHE 9 Ca 0.04 -0.12 -0.12 0.00 0.00 0.00 0.00 56.93 56.73 2bcg s PHE 9 Cb -0.14 -1.57 -0.05 0.00 0.00 0.00 0.00 43.02 41.27 2bcg s PHE 9 CO -0.09 0.30 0.23 0.21 -0.00 0.00 0.00 175.22 175.87 2bcg s LYS 10 N -1.28 4.01 0.08 0.44 2.20 -1.26 -1.64 119.74 122.29 2bcg s LYS 10 Ca 0.15 -0.20 0.08 0.00 -0.36 0.00 0.00 55.97 55.65 2bcg s LYS 10 Cb -0.11 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 2bcg s LYS 10 CO 0.05 -0.12 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.21 2bcg s LEU 11 N 1.60 2.58 0.14 5.43 1.02 -0.10 -0.87 118.68 128.48 2bcg s LEU 11 Ca 0.10 -0.53 0.11 0.00 0.02 0.00 0.00 54.13 53.82 2bcg s LEU 11 Cb -0.15 -1.48 -0.04 0.00 0.02 0.00 0.00 46.19 44.54 2bcg s LEU 11 CO 0.09 0.21 -0.24 -0.76 0.02 0.00 0.00 176.35 175.67 2bcg s LEU 12 N -1.79 2.44 -0.10 1.79 1.43 -0.42 -0.74 118.68 121.29 2bcg s LEU 12 Ca 0.16 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.48 2bcg s LEU 12 Cb -0.10 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 2bcg s LEU 12 CO 0.07 0.16 0.06 -0.76 0.23 0.00 0.00 176.35 176.11 2bcg s LEU 13 N -2.24 3.90 0.11 1.79 1.43 -0.74 -1.09 118.68 121.84 2bcg s LEU 13 Ca 0.17 0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 53.46 2bcg s LEU 13 Cb -0.10 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 2bcg s LEU 13 CO 0.08 0.39 0.18 -0.51 0.23 0.00 0.00 176.35 176.72 2bcg s ILE 14 N -0.91 0.12 0.00 -0.59 2.07 -0.31 -4.53 121.20 117.06 2bcg s ILE 14 Ca 0.14 -1.38 0.00 0.00 -1.41 0.00 0.00 60.65 57.99 2bcg s ILE 14 Cb -0.12 -1.58 0.00 0.00 0.13 0.00 0.00 42.46 40.89 2bcg s ILE 14 CO 0.03 -0.56 0.00 0.61 -1.91 0.00 0.00 174.94 173.11 2bcg n GLY 15 N -0.09 3.31 3.71 1.50 0.00 -1.26 -0.82 105.19 111.55 2bcg n GLY 15 Ca -0.12 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 2bcg n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bcg s ASN 16 N 0.00 4.08 0.40 1.61 -0.87 -1.26 -4.89 114.94 114.01 2bcg s ASN 16 Ca 0.00 2.43 -0.26 0.00 -1.57 0.00 0.00 52.86 53.47 2bcg s ASN 16 Cb 0.00 -2.60 -0.11 0.00 -0.02 0.00 0.00 41.25 38.53 2bcg s ASN 16 CO 0.00 -2.34 1.19 -1.20 -2.57 0.00 0.00 177.10 172.18 2bcg n SER 17 N -2.71 2.17 0.00 -1.22 7.64 -1.26 -3.29 113.62 114.94 2bcg n SER 17 Ca 0.14 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.13 2bcg n SER 17 Cb 0.50 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2bcg n SER 17 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bcg n GLY 18 N 0.93 1.01 0.14 0.23 0.00 -1.26 -4.92 105.19 101.31 2bcg n GLY 18 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2bcg n GLY 18 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2bcg h VAL 19 N 0.00 0.00 0.00 1.61 -1.51 -1.92 -3.47 116.25 110.96 2bcg h VAL 19 Ca 0.00 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 2bcg h VAL 19 Cb 0.00 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 2bcg h VAL 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2bcg n GLY 20 N 1.24 1.73 0.08 5.19 0.00 -1.26 -4.64 105.19 107.53 2bcg n GLY 20 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 2bcg n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bcg h LYS 21 N 0.00 0.11 -0.55 1.61 1.57 -1.91 0.73 116.57 118.13 2bcg h LYS 21 Ca 0.00 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 2bcg h LYS 21 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2bcg h LYS 21 CO 0.00 0.07 -0.06 0.77 -0.57 0.00 0.00 179.45 179.66 2bcg h SER 22 N 0.11 1.00 -0.67 0.86 0.02 -1.99 -1.55 113.55 111.33 2bcg h SER 22 Ca 0.05 -0.33 -0.04 0.00 -0.84 0.00 0.00 61.79 60.62 2bcg h SER 22 Cb 0.01 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 2bcg h SER 22 CO -0.04 1.10 0.27 0.00 -1.14 0.00 0.00 176.83 177.02 2bcg h LEU 24 N 1.01 0.43 -0.47 0.00 3.38 -0.53 -0.19 115.31 118.93 2bcg h LEU 24 Ca 0.23 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 2bcg h LEU 24 Cb 0.20 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2bcg h LEU 24 CO -0.02 0.32 0.09 0.25 0.09 0.00 0.00 178.44 179.17 2bcg h LEU 25 N 0.50 0.73 -0.92 1.67 5.85 -0.91 -1.48 115.31 120.74 2bcg h LEU 25 Ca 0.13 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 2bcg h LEU 25 Cb -0.04 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 2bcg h LEU 25 CO -0.03 0.79 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.62 2bcg h LEU 26 N 0.64 0.59 -0.26 2.25 3.38 -0.91 0.10 115.31 121.10 2bcg h LEU 26 Ca 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2bcg h LEU 26 Cb 0.36 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2bcg h LEU 26 CO 0.01 0.78 0.13 -0.09 0.09 0.00 0.00 178.44 179.35 2bcg h ARG 27 N 0.54 0.38 -0.47 1.13 9.65 -0.86 0.43 114.38 125.19 2bcg h ARG 27 Ca 0.09 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 58.86 2bcg h ARG 27 Cb 0.60 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.09 2bcg h ARG 27 CO 0.04 0.38 0.11 0.35 2.80 0.00 0.00 179.97 183.65 2bcg h PHE 28 N 0.29 0.79 0.15 2.20 3.57 -0.93 -1.51 116.94 121.52 2bcg h PHE 28 Ca 0.09 -0.10 -0.29 0.00 3.53 0.00 0.00 57.97 61.20 2bcg h PHE 28 Cb 0.12 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 38.65 2bcg h PHE 28 CO -0.02 0.73 -1.43 0.66 -2.23 0.00 0.00 178.31 176.02 2bcg h SER 29 N 0.63 0.51 -0.00 0.41 4.64 -0.76 -3.39 113.55 115.59 2bcg h SER 29 Ca 0.15 -0.90 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 2bcg h SER 29 Cb 0.34 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2bcg h SER 29 CO 0.00 1.64 -0.36 0.47 -0.87 0.00 0.00 176.83 177.72 2bcg n ASP 30 N -3.84 0.71 -3.89 4.97 8.00 0.10 -5.01 116.55 117.59 2bcg n ASP 30 Ca -0.22 -0.86 -0.28 0.00 0.71 0.00 0.00 54.79 54.14 2bcg n ASP 30 Cb 0.96 0.81 0.02 0.00 -0.02 0.00 0.00 41.12 42.89 2bcg n ASP 30 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2bcg n ASP 31 N -0.88 -3.18 -4.33 -2.24 2.03 -0.57 -4.99 116.55 102.40 2bcg n ASP 31 Ca 0.03 -0.84 -0.19 0.00 0.52 0.00 0.00 54.79 54.31 2bcg n ASP 31 Cb 0.17 -3.73 -0.10 0.00 -0.72 0.00 0.00 41.12 36.74 2bcg n ASP 31 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2bcg s THR 32 N -3.47 1.69 -0.08 5.18 -4.23 -1.21 -4.99 115.64 108.53 2bcg s THR 32 Ca 0.42 -2.08 -0.04 0.00 -1.18 0.00 0.00 61.69 58.81 2bcg s THR 32 Cb -0.21 -1.93 0.04 0.00 1.34 0.00 0.00 72.50 71.74 2bcg s THR 32 CO 0.84 -0.51 0.18 -0.47 -0.54 0.00 0.00 174.62 174.12 2bcg s TYR 33 N -2.67 -0.22 -0.22 3.99 5.04 -1.26 -3.25 117.35 118.76 2bcg s TYR 33 Ca 0.19 0.60 -0.04 0.00 -2.44 0.00 0.00 57.07 55.38 2bcg s TYR 33 Cb -0.02 -0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.23 2bcg s TYR 33 CO 0.06 -0.20 -0.03 0.99 -1.34 0.00 0.00 175.55 175.03 2bcg s THR 34 N 1.27 3.49 0.45 4.34 2.01 -1.26 -5.09 115.64 120.84 2bcg s THR 34 Ca -0.09 -0.46 -0.25 0.00 0.31 0.00 0.00 61.69 61.21 2bcg s THR 34 Cb -0.11 -2.59 -0.09 0.00 0.01 0.00 0.00 72.50 69.72 2bcg s THR 34 CO -0.07 0.42 1.33 0.59 -0.69 0.00 0.00 174.62 176.20 2bcg n ASN 35 N 4.73 2.79 -3.97 3.53 5.03 -1.26 -2.30 115.26 123.80 2bcg n ASN 35 Ca -0.18 1.10 -0.28 0.00 0.87 0.00 0.00 54.58 56.09 2bcg n ASN 35 Cb 0.51 -1.54 -0.01 0.00 -1.02 0.00 0.00 39.78 37.72 2bcg n ASN 35 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2bcg n ASP 36 N -0.04 -1.65 -4.65 6.41 10.43 -1.26 -4.80 116.55 120.99 2bcg n ASP 36 Ca 0.07 -0.95 -0.50 0.00 2.57 0.00 0.00 54.79 55.98 2bcg n ASP 36 Cb 0.41 -3.25 -0.05 0.00 1.84 0.00 0.00 41.12 40.07 2bcg n ASP 36 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2bcg n TYR 37 N -4.42 2.00 -3.75 1.24 9.36 -0.97 -4.99 117.16 115.63 2bcg n TYR 37 Ca -0.18 0.38 -0.14 0.00 3.32 0.00 0.00 57.90 61.28 2bcg n TYR 37 Cb 0.62 -2.48 -0.15 0.00 -0.63 0.00 0.00 39.34 36.70 2bcg n TYR 37 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2bcg s ILE 38 N 1.59 -0.07 -0.01 2.97 -1.09 -1.26 -5.12 121.20 118.21 2bcg s ILE 38 Ca 0.85 0.21 0.07 0.00 -2.23 0.00 0.00 60.65 59.55 2bcg s ILE 38 Cb -0.82 -0.20 -0.02 0.00 -1.58 0.00 0.00 42.46 39.84 2bcg s ILE 38 CO 0.46 0.09 -0.21 -0.55 -1.23 0.00 0.00 174.94 173.50 2bcg s SER 39 N 1.25 2.48 -0.03 3.58 0.15 -1.26 -5.03 113.70 114.83 2bcg s SER 39 Ca -0.08 -0.40 -0.25 0.00 0.70 0.00 0.00 55.95 55.91 2bcg s SER 39 Cb -0.12 -0.26 -0.20 0.00 -1.71 0.00 0.00 66.02 63.72 2bcg s SER 39 CO -0.05 0.24 1.22 0.71 1.20 0.00 0.00 173.24 176.56 2bcg h THR 40 N 4.57 1.43 -3.80 6.45 1.35 -2.06 -3.40 112.91 117.46 2bcg h THR 40 Ca -0.40 -1.34 -0.65 0.00 -0.55 0.00 0.00 66.41 63.47 2bcg h THR 40 Cb 1.14 2.28 -0.17 0.00 -1.73 0.00 0.00 68.15 69.68 2bcg h THR 40 CO 0.47 0.36 -0.41 -0.63 -0.25 0.00 0.00 175.52 175.06 2bcg s ILE 41 N -3.99 5.25 0.65 6.82 1.01 -1.26 -5.07 121.20 124.61 2bcg s ILE 41 Ca -0.16 0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.54 2bcg s ILE 41 Cb 0.02 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 2bcg s ILE 41 CO 0.69 0.14 1.09 -0.83 0.00 0.00 0.00 174.94 176.03 2bcg s GLY 42 N 1.72 2.09 0.27 6.18 0.00 -1.26 -4.98 107.32 111.35 2bcg s GLY 42 Ca 0.09 0.46 -0.30 0.00 0.00 0.00 0.00 44.72 44.97 2bcg s GLY 42 CO 0.11 0.80 1.62 -0.62 0.00 0.00 0.00 173.10 175.01 2bcg n VAL 43 N -2.42 0.80 0.00 1.40 0.31 -1.26 -4.96 118.33 112.21 2bcg n VAL 43 Ca 0.10 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2bcg n VAL 43 Cb 0.52 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 2bcg n VAL 43 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2bcg n ASP 44 N 2.54 0.00 -3.96 4.52 -0.08 -1.26 -4.19 116.55 114.13 2bcg n ASP 44 Ca 0.10 0.09 -0.10 0.00 -1.51 0.00 0.00 54.79 53.38 2bcg n ASP 44 Cb 0.36 -0.24 -0.06 0.00 2.34 0.00 0.00 41.12 43.52 2bcg n ASP 44 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2bcg s PHE 45 N -0.48 0.38 0.06 -0.67 -0.12 -1.26 -1.68 117.98 114.21 2bcg s PHE 45 Ca 0.00 -0.73 0.05 0.00 -0.05 0.00 0.00 56.93 56.20 2bcg s PHE 45 Cb 0.00 0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.39 2bcg s PHE 45 CO 0.00 -0.80 -0.15 0.15 -0.05 0.00 0.00 175.22 174.37 2bcg s LYS 46 N -3.98 0.90 -0.15 1.99 -0.14 -0.51 -4.97 119.74 112.88 2bcg s LYS 46 Ca 0.19 -0.88 -0.01 0.00 -1.36 0.00 0.00 55.97 53.90 2bcg s LYS 46 Cb 0.02 -0.93 -0.02 0.00 -1.68 0.00 0.00 37.83 35.23 2bcg s LYS 46 CO 0.03 0.22 -0.10 0.42 -0.76 0.00 0.00 175.35 175.16 2bcg s ILE 47 N -1.07 3.31 -0.05 2.17 1.01 -1.26 -1.03 121.20 124.27 2bcg s ILE 47 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 2bcg s ILE 47 Cb -0.09 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 40.00 2bcg s ILE 47 CO 0.02 0.51 0.11 -0.75 0.00 0.00 0.00 174.94 174.83 2bcg s LYS 48 N 0.46 0.03 -0.22 2.79 2.20 -0.48 -4.99 119.74 119.53 2bcg s LYS 48 Ca -0.07 0.36 -0.13 0.00 -0.36 0.00 0.00 55.97 55.77 2bcg s LYS 48 Cb -0.15 -0.24 -0.05 0.00 -1.51 0.00 0.00 37.83 35.88 2bcg s LYS 48 CO 0.04 -0.20 0.26 0.99 -0.36 0.00 0.00 175.35 176.08 2bcg s THR 49 N 1.42 5.29 0.18 3.43 2.01 -1.26 -1.05 115.64 125.66 2bcg s THR 49 Ca -0.06 0.41 0.11 0.00 0.31 0.00 0.00 61.69 62.46 2bcg s THR 49 Cb -0.12 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2bcg s THR 49 CO -0.05 0.31 -0.22 0.68 -0.69 0.00 0.00 174.62 174.65 2bcg s VAL 50 N 1.11 2.50 -0.13 3.82 -7.23 0.21 -4.96 120.40 115.71 2bcg s VAL 50 Ca 0.13 -1.90 -0.18 0.00 -1.81 0.00 0.00 61.98 58.21 2bcg s VAL 50 Cb -0.14 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 2bcg s VAL 50 CO 0.06 -0.07 0.47 -0.70 -0.31 0.00 0.00 175.10 174.54 2bcg s GLU 51 N -2.58 4.31 -0.21 4.82 2.56 -1.26 -0.49 118.70 125.86 2bcg s GLU 51 Ca 0.20 0.42 -0.04 0.00 0.00 0.00 0.00 54.97 55.55 2bcg s GLU 51 Cb -0.08 -3.46 0.07 0.00 2.00 0.00 0.00 34.13 32.66 2bcg s GLU 51 CO 0.10 0.11 0.08 -1.17 -0.56 0.00 0.00 175.26 173.82 2bcg s LEU 52 N 0.79 0.77 -1.37 2.70 2.96 0.13 -4.87 118.68 119.79 2bcg s LEU 52 Ca 0.25 -0.87 -0.13 0.00 -0.22 0.00 0.00 54.13 53.16 2bcg s LEU 52 Cb -0.15 -0.41 0.01 0.00 0.50 0.00 0.00 46.19 46.14 2bcg s LEU 52 CO 0.10 -0.36 0.38 0.47 -1.32 0.00 0.00 176.35 175.62 2bcg n ASP 53 N 5.17 -1.54 -1.19 3.68 10.43 -1.26 -0.37 116.55 131.48 2bcg n ASP 53 Ca -0.07 -1.20 -0.15 0.00 2.57 0.00 0.00 54.79 55.94 2bcg n ASP 53 Cb 0.47 -2.13 -0.06 0.00 1.84 0.00 0.00 41.12 41.24 2bcg n ASP 53 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2bcg n GLY 54 N -2.21 1.42 3.21 0.44 0.00 -1.26 -5.01 105.19 101.77 2bcg n GLY 54 Ca -0.23 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 2bcg n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bcg s LYS 55 N -3.36 1.58 -0.43 1.61 1.02 0.50 -5.10 119.74 115.55 2bcg s LYS 55 Ca 0.00 -0.72 -0.22 0.00 0.02 0.00 0.00 55.97 55.05 2bcg s LYS 55 Cb 0.00 -1.54 0.02 0.00 -0.52 0.00 0.00 37.83 35.79 2bcg s LYS 55 CO 0.00 0.42 0.73 0.99 -0.92 0.00 0.00 175.35 176.57 2bcg s THR 56 N -0.49 4.72 -0.24 2.17 2.01 -1.26 0.22 115.64 122.78 2bcg s THR 56 Ca 0.08 0.37 -0.05 0.00 0.31 0.00 0.00 61.69 62.40 2bcg s THR 56 Cb -0.08 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.16 2bcg s THR 56 CO -0.01 -0.64 -0.00 -0.69 -0.69 0.00 0.00 174.62 172.59 2bcg s VAL 57 N 3.10 3.64 -0.12 3.82 1.01 0.36 -0.14 120.40 132.06 2bcg s VAL 57 Ca 0.27 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 2bcg s VAL 57 Cb -0.13 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2bcg s VAL 57 CO 0.21 0.36 0.51 -0.75 0.00 0.00 0.00 175.10 175.43 2bcg s LYS 58 N 1.51 4.33 -0.15 2.72 2.20 0.62 -0.62 119.74 130.35 2bcg s LYS 58 Ca 0.05 0.50 -0.00 0.00 -0.36 0.00 0.00 55.97 56.16 2bcg s LYS 58 Cb -0.15 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.71 2bcg s LYS 58 CO -0.01 0.10 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.44 2bcg s LEU 59 N 0.80 2.65 -0.31 5.43 1.43 -0.22 -1.11 118.68 127.36 2bcg s LEU 59 Ca 0.27 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 2bcg s LEU 59 Cb -0.15 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.48 2bcg s LEU 59 CO 0.11 0.11 0.06 -1.58 0.23 0.00 0.00 176.35 175.28 2bcg s GLN 60 N 0.67 2.80 -0.19 1.70 0.74 -0.65 -1.39 119.66 123.34 2bcg s GLN 60 Ca -0.07 -1.05 -0.02 0.00 0.05 0.00 0.00 55.36 54.28 2bcg s GLN 60 Cb -0.15 -3.33 -0.00 0.00 1.10 0.00 0.00 33.01 30.62 2bcg s GLN 60 CO 0.02 -0.55 -0.10 0.42 -0.55 0.00 0.00 175.29 174.54 2bcg s ILE 61 N 1.41 3.01 -0.02 -2.34 1.01 -0.20 -0.92 121.20 123.15 2bcg s ILE 61 Ca -0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 2bcg s ILE 61 Cb -0.18 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 2bcg s ILE 61 CO 0.01 0.47 0.24 0.26 0.00 0.00 0.00 174.94 175.92 2bcg s TRP 62 N 1.22 3.59 0.38 3.97 0.52 0.08 -1.42 118.94 127.28 2bcg s TRP 62 Ca 0.02 0.57 0.08 0.00 0.02 0.00 0.00 56.10 56.80 2bcg s TRP 62 Cb -0.14 -1.98 -0.06 0.00 -1.15 0.00 0.00 33.47 30.14 2bcg s TRP 62 CO -0.04 0.65 0.08 0.34 0.02 0.00 0.00 176.95 178.00 2bcg s ASP 63 N -1.53 4.24 0.11 2.95 3.68 -0.67 -1.80 116.67 123.65 2bcg s ASP 63 Ca 0.24 -1.07 0.25 0.00 2.13 0.00 0.00 52.55 54.10 2bcg s ASP 63 Cb -0.13 -0.50 0.53 0.00 -1.45 0.00 0.00 42.92 41.37 2bcg s ASP 63 CO 0.13 -0.38 1.47 0.35 0.13 0.00 0.00 175.17 176.88 2bcg n THR 64 N -1.07 0.33 -2.24 1.71 -2.24 -1.26 -4.88 114.28 104.64 2bcg n THR 64 Ca -0.03 -0.22 -0.19 0.00 -2.27 0.00 0.00 64.05 61.34 2bcg n THR 64 Cb 0.64 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 2bcg n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bcg n ALA 65 N -1.75 -0.58 -0.91 6.98 0.00 -1.26 -1.62 120.51 121.36 2bcg n ALA 65 Ca 0.04 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2bcg n ALA 65 Cb 0.42 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.85 2bcg n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bcg n GLY 66 N -0.85 1.10 0.17 0.00 0.00 -1.26 -4.90 105.19 99.45 2bcg n GLY 66 Ca -0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.93 2bcg n GLY 66 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2bcg h GLN 67 N 2.99 0.00 0.00 1.61 4.20 -1.65 -1.96 115.11 120.30 2bcg h GLN 67 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2bcg h GLN 67 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2bcg h GLN 67 CO 0.00 0.00 0.00 -0.85 -0.67 0.00 0.00 178.83 177.31 2bcg n GLU 68 N -2.37 0.20 -0.18 1.46 0.00 -1.26 -0.97 120.64 117.53 2bcg n GLU 68 Ca 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 57.16 57.45 2bcg n GLU 68 Cb 0.15 -1.80 0.08 0.00 0.00 0.00 0.00 31.44 29.88 2bcg n GLU 68 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2bcg h ARG 69 N 0.00 0.29 -0.23 3.44 2.43 -1.73 -0.79 114.38 117.79 2bcg h ARG 69 Ca 0.00 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 2bcg h ARG 69 Cb 0.53 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.95 2bcg h ARG 69 CO 0.00 0.19 -0.18 1.19 -1.51 0.00 0.00 179.97 179.67 2bcg n PHE 70 N -5.07 0.73 -3.47 2.20 3.01 -1.26 -4.89 117.46 108.72 2bcg n PHE 70 Ca 0.07 -1.49 -0.20 0.00 1.01 0.00 0.00 57.45 56.84 2bcg n PHE 70 Cb 0.26 -0.40 0.06 0.00 -0.01 0.00 0.00 39.48 39.39 2bcg n PHE 70 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2bcg n ARG 71 N -1.10 -3.42 -2.07 -1.08 1.74 -0.30 -4.93 116.66 105.50 2bcg n ARG 71 Ca 0.28 0.73 -0.21 0.00 -0.77 0.00 0.00 57.85 57.87 2bcg n ARG 71 Cb 0.91 -5.35 0.03 0.00 -1.02 0.00 0.00 32.46 27.03 2bcg n ARG 71 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2bcg n THR 72 N -3.81 2.40 -2.14 0.55 -2.24 -0.14 -5.02 114.28 103.88 2bcg n THR 72 Ca -0.17 -4.07 -0.42 0.00 -2.27 0.00 0.00 64.05 57.12 2bcg n THR 72 Cb 0.64 -0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 2bcg n THR 72 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2bcg s ILE 73 N -4.49 3.29 0.19 2.28 1.01 -1.23 -4.84 121.20 117.40 2bcg s ILE 73 Ca 0.48 0.88 -0.31 0.00 0.00 0.00 0.00 60.65 61.71 2bcg s ILE 73 Cb 0.40 -3.56 -0.10 0.00 0.01 0.00 0.00 42.46 39.21 2bcg s ILE 73 CO 0.03 0.05 1.51 0.42 0.00 0.00 0.00 174.94 176.95 2bcg s THR 74 N 1.44 2.70 0.49 2.92 -4.23 -1.26 -4.89 115.64 112.79 2bcg s THR 74 Ca 0.66 0.53 0.24 0.00 -1.18 0.00 0.00 61.69 61.93 2bcg s THR 74 Cb -0.37 -3.34 0.42 0.00 1.34 0.00 0.00 72.50 70.55 2bcg s THR 74 CO 0.30 0.06 1.90 0.77 -0.54 0.00 0.00 174.62 177.11 2bcg h SER 75 N 6.18 0.17 -0.22 3.99 4.64 -2.00 0.94 113.55 127.25 2bcg h SER 75 Ca -0.44 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 60.96 2bcg h SER 75 Cb 1.21 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2bcg h SER 75 CO 0.86 0.07 0.21 0.77 -0.87 0.00 0.00 176.83 177.88 2bcg h SER 76 N 0.18 0.00 -0.87 4.97 4.64 -1.97 -2.18 113.55 118.31 2bcg h SER 76 Ca 0.40 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.84 2bcg h SER 76 Cb 1.30 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.32 2bcg h SER 76 CO -0.07 0.00 0.56 0.22 -0.87 0.00 0.00 176.83 176.67 2bcg h TYR 77 N 0.00 0.84 0.00 4.77 3.20 -1.17 -2.10 116.97 122.52 2bcg h TYR 77 Ca 0.11 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2bcg h TYR 77 Cb 0.53 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2bcg h TYR 77 CO 0.00 0.35 -0.21 0.66 -1.64 0.00 0.00 178.16 177.32 2bcg n TYR 78 N -4.54 0.49 -1.67 -3.82 4.02 -0.82 -4.84 117.16 105.97 2bcg n TYR 78 Ca 0.16 0.14 -0.46 0.00 -0.01 0.00 0.00 57.90 57.74 2bcg n TYR 78 Cb 0.40 -0.67 -0.04 0.00 -0.02 0.00 0.00 39.34 39.00 2bcg n TYR 78 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2bcg n ARG 79 N -1.93 2.22 -0.98 -0.72 5.12 -0.79 -2.29 116.66 117.28 2bcg n ARG 79 Ca 0.05 0.80 0.00 0.00 -1.93 0.00 0.00 57.85 56.77 2bcg n ARG 79 Cb 0.40 -2.58 0.00 0.00 -1.16 0.00 0.00 32.46 29.12 2bcg n ARG 79 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bcg n GLY 80 N 3.47 0.34 3.77 -0.13 0.00 -1.26 -4.97 105.19 106.40 2bcg n GLY 80 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2bcg n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bcg s SER 81 N -2.06 6.93 -0.15 1.61 1.04 -0.97 -4.62 113.70 115.48 2bcg s SER 81 Ca 0.00 2.29 0.16 0.00 0.48 0.00 0.00 55.95 58.88 2bcg s SER 81 Cb 0.00 -2.62 -0.22 0.00 0.10 0.00 0.00 66.02 63.28 2bcg s SER 81 CO 0.00 -0.38 0.11 1.41 0.98 0.00 0.00 173.24 175.36 2bcg n HIS 82 N 0.63 0.00 -3.72 5.02 8.25 -0.05 -4.80 115.22 120.55 2bcg n HIS 82 Ca 0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.34 2bcg n HIS 82 Cb 0.46 -0.79 -0.09 0.00 1.12 0.00 0.00 29.99 30.69 2bcg n HIS 82 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2bcg s GLY 83 N -4.98 -0.28 -0.07 -1.41 0.00 -1.13 -1.82 107.32 97.63 2bcg s GLY 83 Ca -0.08 0.90 0.01 0.00 0.00 0.00 0.00 44.72 45.55 2bcg s GLY 83 CO 0.72 0.71 -0.08 -0.42 0.00 0.00 0.00 173.10 174.03 2bcg s ILE 84 N -0.42 0.88 -0.31 0.90 1.01 0.82 -1.30 121.20 122.78 2bcg s ILE 84 Ca -0.06 -0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 2bcg s ILE 84 Cb -0.03 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 2bcg s ILE 84 CO 0.03 0.31 0.17 -0.63 0.00 0.00 0.00 174.94 174.82 2bcg s ILE 85 N 1.09 4.80 -0.26 2.92 1.01 -0.25 -1.69 121.20 128.83 2bcg s ILE 85 Ca -0.07 -0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.17 2bcg s ILE 85 Cb -0.14 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2bcg s ILE 85 CO -0.01 0.10 0.27 -0.63 0.00 0.00 0.00 174.94 174.67 2bcg s ILE 86 N 1.65 5.27 -0.09 2.92 1.01 0.13 -1.16 121.20 130.93 2bcg s ILE 86 Ca 0.05 0.36 0.01 0.00 0.00 0.00 0.00 60.65 61.08 2bcg s ILE 86 Cb -0.17 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 2bcg s ILE 86 CO 0.07 0.24 -0.11 -0.69 0.00 0.00 0.00 174.94 174.46 2bcg s VAL 87 N 1.64 3.34 0.46 2.92 1.01 0.00 -0.64 120.40 129.14 2bcg s VAL 87 Ca 0.11 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2bcg s VAL 87 Cb -0.15 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 2bcg s VAL 87 CO 0.09 0.57 0.08 -0.72 0.00 0.00 0.00 175.10 175.12 2bcg s TYR 88 N -0.35 1.79 -0.19 5.22 -0.85 0.18 -4.03 117.35 119.12 2bcg s TYR 88 Ca 0.04 -1.19 -0.01 0.00 -0.52 0.00 0.00 57.07 55.39 2bcg s TYR 88 Cb -0.12 -1.33 0.00 0.00 0.38 0.00 0.00 41.96 40.89 2bcg s TYR 88 CO 0.02 -0.11 -0.12 0.34 -1.52 0.00 0.00 175.55 174.16 2bcg s ASP 89 N -3.74 3.79 0.31 -0.18 -1.08 -1.26 -0.34 116.67 114.17 2bcg s ASP 89 Ca 0.14 -0.48 0.22 0.00 -0.52 0.00 0.00 52.55 51.91 2bcg s ASP 89 Cb 0.01 -1.61 1.12 0.00 -1.46 0.00 0.00 42.92 40.98 2bcg s ASP 89 CO 0.09 0.02 1.67 1.33 0.52 0.00 0.00 175.17 178.81 2bcg n VAL 90 N 4.48 1.00 1.25 1.11 0.24 -0.43 -0.72 118.33 125.26 2bcg n VAL 90 Ca -0.19 0.62 0.13 0.00 -2.04 0.00 0.00 64.34 62.86 2bcg n VAL 90 Cb 0.51 -1.60 0.31 0.00 -1.47 0.00 0.00 33.84 31.59 2bcg n VAL 90 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2bcg n THR 91 N -2.25 0.00 -3.77 3.34 -2.24 -1.26 -0.67 114.28 107.43 2bcg n THR 91 Ca -0.01 -0.36 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 2bcg n THR 91 Cb 0.08 0.98 -0.15 0.00 -2.10 0.00 0.00 70.33 69.14 2bcg n THR 91 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bcg s ASP 92 N -2.02 3.96 0.24 3.42 3.68 0.11 -4.63 116.67 121.43 2bcg s ASP 92 Ca 0.33 -1.56 -0.07 0.00 2.13 0.00 0.00 52.55 53.37 2bcg s ASP 92 Cb 0.20 -0.91 0.24 0.00 -1.45 0.00 0.00 42.92 41.01 2bcg s ASP 92 CO 0.33 -0.39 1.90 -0.61 0.13 0.00 0.00 175.17 176.53 2bcg h GLN 93 N 8.06 1.16 -0.84 4.34 5.75 -1.88 -1.43 115.11 130.28 2bcg h GLN 93 Ca -0.13 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.30 2bcg h GLN 93 Cb 1.03 -0.26 -0.04 0.00 1.07 0.00 0.00 27.48 29.27 2bcg h GLN 93 CO 0.46 0.77 0.56 1.49 -2.65 0.00 0.00 178.83 179.45 2bcg h GLU 94 N 1.20 1.11 -0.50 1.69 4.57 -1.94 0.38 114.58 121.08 2bcg h GLU 94 Ca 0.34 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.43 2bcg h GLU 94 Cb -0.09 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.23 2bcg h GLU 94 CO -0.09 0.73 0.18 0.66 -1.18 0.00 0.00 179.01 179.32 2bcg h SER 95 N 1.14 0.67 -0.19 1.04 4.64 -1.58 0.42 113.55 119.68 2bcg h SER 95 Ca 0.31 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.50 2bcg h SER 95 Cb -0.13 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.78 2bcg h SER 95 CO -0.07 0.62 -0.03 0.15 -0.87 0.00 0.00 176.83 176.63 2bcg h PHE 96 N 0.72 0.40 -0.65 4.77 3.57 -1.07 -3.04 116.94 121.64 2bcg h PHE 96 Ca 0.17 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.65 2bcg h PHE 96 Cb 0.17 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 2bcg h PHE 96 CO 0.01 0.60 0.43 -0.91 -2.23 0.00 0.00 178.31 176.21 2bcg h ASN 97 N 0.09 0.59 0.21 0.41 2.35 -0.43 -1.35 115.58 117.45 2bcg h ASN 97 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2bcg h ASN 97 Cb 0.46 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2bcg h ASN 97 CO 0.02 0.39 0.00 1.23 -1.65 0.00 0.00 177.43 177.41 2bcg h GLY 98 N 0.67 0.00 1.52 2.83 0.00 -0.81 -2.81 103.07 104.47 2bcg h GLY 98 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 2bcg h GLY 98 CO -0.09 0.00 0.23 -2.08 0.00 0.00 0.00 176.54 174.60 2bcg h VAL 99 N 0.00 1.15 -0.84 4.60 2.07 -1.24 -1.58 116.25 120.42 2bcg h VAL 99 Ca 0.00 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.12 2bcg h VAL 99 Cb 0.10 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 2bcg h VAL 99 CO 0.00 0.18 0.54 0.50 0.02 0.00 0.00 177.57 178.81 2bcg h LYS 100 N 0.64 1.04 -0.33 1.57 3.64 -1.68 -0.91 116.57 120.54 2bcg h LYS 100 Ca 0.16 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2bcg h LYS 100 Cb 0.06 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 2bcg h LYS 100 CO -0.02 0.69 0.01 1.98 -2.27 0.00 0.00 179.45 179.83 2bcg h MET 101 N 1.07 0.57 -0.47 1.90 4.05 -1.50 -2.44 114.93 118.11 2bcg h MET 101 Ca 0.33 -0.18 -0.04 0.00 -0.28 0.00 0.00 59.70 59.53 2bcg h MET 101 Cb -0.03 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 2bcg h MET 101 CO -0.10 0.69 0.14 -1.49 0.23 0.00 0.00 176.91 176.37 2bcg h TRP 102 N 0.38 0.71 -0.81 1.39 4.06 -0.81 -1.42 115.95 119.44 2bcg h TRP 102 Ca 0.09 -0.05 0.02 0.00 2.06 0.00 0.00 58.89 61.02 2bcg h TRP 102 Cb 0.43 -0.21 -0.04 0.00 -1.00 0.00 0.00 29.16 28.33 2bcg h TRP 102 CO 0.03 0.59 0.53 -0.07 -3.56 0.00 0.00 178.44 175.96 2bcg h LEU 103 N 0.68 0.89 -0.95 -4.49 3.38 -1.02 0.04 115.31 113.84 2bcg h LEU 103 Ca 0.16 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2bcg h LEU 103 Cb 0.22 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2bcg h LEU 103 CO -0.01 0.63 0.31 1.56 0.09 0.00 0.00 178.44 181.02 2bcg h GLN 104 N 1.05 1.07 -0.58 1.13 4.20 -0.81 -0.58 115.11 120.57 2bcg h GLN 104 Ca 0.31 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 2bcg h GLN 104 Cb -0.06 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 2bcg h GLN 104 CO -0.09 0.85 0.17 0.93 -0.67 0.00 0.00 178.83 180.02 2bcg h GLU 105 N 1.05 0.92 -0.65 1.46 4.39 -0.65 -1.87 114.58 119.22 2bcg h GLU 105 Ca 0.25 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 2bcg h GLU 105 Cb 0.17 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 2bcg h GLU 105 CO -0.02 0.83 0.23 0.82 -1.16 0.00 0.00 179.01 179.70 2bcg h ILE 106 N 0.83 1.24 -0.62 3.13 2.04 -0.72 -0.88 117.51 122.54 2bcg h ILE 106 Ca 0.19 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.26 2bcg h ILE 106 Cb 0.30 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2bcg h ILE 106 CO -0.00 0.31 0.41 0.44 0.00 0.00 0.00 178.15 179.31 2bcg h ASP 107 N 0.92 0.68 0.01 1.72 3.32 -0.84 -0.71 116.42 121.52 2bcg h ASP 107 Ca 0.21 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 57.04 2bcg h ASP 107 Cb 0.25 -0.17 0.02 0.00 0.22 0.00 0.00 39.33 39.65 2bcg h ASP 107 CO -0.01 0.49 -0.81 -0.09 -1.72 0.00 0.00 179.24 177.10 2bcg h ARG 108 N 0.81 0.54 0.00 3.56 2.43 -0.75 -3.41 114.38 117.56 2bcg h ARG 108 Ca 0.23 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2bcg h ARG 108 Cb -0.05 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2bcg h ARG 108 CO -0.05 1.21 -1.26 0.66 -1.51 0.00 0.00 179.97 179.02 2bcg n TYR 109 N -4.05 0.00 -3.83 2.20 0.53 -0.39 -5.01 117.16 106.61 2bcg n TYR 109 Ca -0.11 0.00 -0.21 0.00 -1.02 0.00 0.00 57.90 56.57 2bcg n TYR 109 Cb 0.77 -0.19 -0.02 0.00 -1.03 0.00 0.00 39.34 38.87 2bcg n TYR 109 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2bcg s ALA 110 N -2.56 3.93 0.59 -0.72 0.00 -0.29 -4.71 121.76 118.00 2bcg s ALA 110 Ca -0.02 -1.42 -0.19 0.00 0.00 0.00 0.00 51.96 50.33 2bcg s ALA 110 Cb 0.07 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 2bcg s ALA 110 CO 0.43 0.12 1.25 0.95 0.00 0.00 0.00 175.76 178.51 2bcg s THR 111 N -2.13 2.42 0.62 0.00 -4.23 -1.26 -4.80 115.64 106.25 2bcg s THR 111 Ca 0.38 0.27 0.34 0.00 -1.18 0.00 0.00 61.69 61.50 2bcg s THR 111 Cb -0.08 -3.12 0.38 0.00 1.34 0.00 0.00 72.50 71.02 2bcg s THR 111 CO 0.28 -0.05 2.26 0.77 -0.54 0.00 0.00 174.62 177.34 2bcg h SER 112 N 0.97 0.00 -0.36 3.99 4.64 -1.93 -1.65 113.55 119.21 2bcg h SER 112 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2bcg h SER 112 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2bcg h SER 112 CO 0.55 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.86 2bcg n THR 113 N -3.59 0.47 -1.77 2.95 -2.24 -1.26 -4.97 114.28 103.87 2bcg n THR 113 Ca -0.02 -0.63 -0.40 0.00 -2.27 0.00 0.00 64.05 60.73 2bcg n THR 113 Cb 0.13 0.67 0.01 0.00 -2.10 0.00 0.00 70.33 69.04 2bcg n THR 113 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2bcg n VAL 114 N 1.08 2.57 -3.20 2.28 3.14 -0.62 -5.00 118.33 118.58 2bcg n VAL 114 Ca 0.18 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.72 2bcg n VAL 114 Cb 0.50 -1.88 -0.06 0.00 -1.06 0.00 0.00 33.84 31.33 2bcg n VAL 114 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2bcg s LEU 115 N -2.50 4.21 0.05 6.55 2.01 -0.76 -4.97 118.68 123.27 2bcg s LEU 115 Ca 0.59 1.24 0.05 0.00 0.01 0.00 0.00 54.13 56.02 2bcg s LEU 115 Cb -0.46 -3.74 -0.02 0.00 0.01 0.00 0.00 46.19 41.98 2bcg s LEU 115 CO 0.59 -0.07 -0.15 -0.54 1.01 0.00 0.00 176.35 177.20 2bcg s LYS 116 N -2.49 0.97 -0.00 1.70 1.02 -1.26 -0.13 119.74 119.56 2bcg s LYS 116 Ca 0.47 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.63 2bcg s LYS 116 Cb -0.13 -1.01 -0.00 0.00 -0.52 0.00 0.00 37.83 36.17 2bcg s LYS 116 CO 0.19 0.25 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.68 2bcg s LEU 117 N -1.28 2.00 -0.22 3.17 2.96 -0.69 -4.17 118.68 120.45 2bcg s LEU 117 Ca 0.02 -0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 2bcg s LEU 117 Cb -0.08 -0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.47 2bcg s LEU 117 CO 0.02 0.02 0.10 -0.22 -1.32 0.00 0.00 176.35 174.95 2bcg s LEU 118 N -0.05 3.83 -0.16 -0.68 2.96 -0.46 -0.69 118.68 123.43 2bcg s LEU 118 Ca 0.01 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 2bcg s LEU 118 Cb -0.01 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.69 2bcg s LEU 118 CO -0.00 0.09 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.24 2bcg s VAL 119 N 0.91 2.35 -0.51 1.68 1.01 0.19 -1.40 120.40 124.62 2bcg s VAL 119 Ca 0.05 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 2bcg s VAL 119 Cb -0.13 -1.98 0.08 0.00 0.00 0.00 0.00 36.38 34.35 2bcg s VAL 119 CO 0.03 0.53 0.52 -0.83 0.00 0.00 0.00 175.10 175.35 2bcg s GLY 120 N 0.98 1.94 0.60 4.51 0.00 -0.04 -0.65 107.32 114.67 2bcg s GLY 120 Ca -0.03 -2.10 -0.01 0.00 0.00 0.00 0.00 44.72 42.58 2bcg s GLY 120 CO -0.04 1.27 0.85 0.21 0.00 0.00 0.00 173.10 175.39 2bcg s ASN 121 N 2.94 5.13 -0.80 1.64 2.47 0.54 -0.36 114.94 126.50 2bcg s ASN 121 Ca 0.08 0.16 -0.01 0.00 0.42 0.00 0.00 52.86 53.50 2bcg s ASN 121 Cb -0.24 -0.97 0.00 0.00 -1.45 0.00 0.00 41.25 38.60 2bcg s ASN 121 CO 0.07 -1.29 0.16 0.29 -3.72 0.00 0.00 177.10 172.61 2bcg n LYS 122 N -2.54 -1.65 0.00 0.43 5.02 -0.40 -1.32 118.16 117.70 2bcg n LYS 122 Ca 0.08 0.46 0.05 0.00 -2.02 0.00 0.00 58.31 56.89 2bcg n LYS 122 Cb 0.60 -4.43 0.25 0.00 -0.02 0.00 0.00 35.03 31.43 2bcg n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bcg h ASP 124 N 0.00 0.00 -1.34 0.00 3.04 -1.92 -3.36 116.42 112.84 2bcg h ASP 124 Ca 0.00 0.00 -0.75 0.00 -3.24 0.00 0.00 57.03 53.04 2bcg h ASP 124 Cb 0.18 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 38.33 2bcg h ASP 124 CO 0.00 0.00 2.05 0.18 -2.04 0.00 0.00 179.24 179.43 2bcg n LEU 125 N -3.02 6.47 -0.19 0.15 4.77 -0.54 -4.79 117.00 119.86 2bcg n LEU 125 Ca -0.00 -4.56 -0.08 0.00 -0.03 0.00 0.00 56.01 51.34 2bcg n LEU 125 Cb 0.24 -1.52 0.06 0.00 -2.33 0.00 0.00 43.42 39.88 2bcg n LEU 125 CO 0.25 1.25 0.83 0.11 -1.33 0.00 0.00 177.39 178.50 2bcg h LYS 126 N 5.97 1.00 -0.15 3.23 1.79 -1.85 -2.30 116.57 124.27 2bcg h LYS 126 Ca 0.40 -0.31 -0.08 0.00 -2.18 0.00 0.00 60.65 58.48 2bcg h LYS 126 Cb 0.66 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 2bcg h LYS 126 CO 1.60 0.99 -0.27 -0.44 -1.08 0.00 0.00 179.45 180.25 2bcg h ASP 127 N 0.92 0.27 0.00 0.86 3.32 -1.95 -3.16 116.42 116.68 2bcg h ASP 127 Ca 0.16 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2bcg h ASP 127 Cb 0.54 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2bcg h ASP 127 CO 0.03 0.55 -0.15 0.29 -1.72 0.00 0.00 179.24 178.24 2bcg n LYS 128 N -4.14 1.76 -1.66 3.56 5.02 -0.99 -4.96 118.16 116.76 2bcg n LYS 128 Ca -0.01 -1.36 -0.46 0.00 -2.02 0.00 0.00 58.31 54.47 2bcg n LYS 128 Cb 0.38 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 2bcg n LYS 128 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2bcg n ARG 129 N 0.56 1.94 0.00 1.97 0.63 -0.90 -4.37 116.66 116.49 2bcg n ARG 129 Ca 0.14 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.76 2bcg n ARG 129 Cb 0.49 -2.37 0.00 0.00 0.45 0.00 0.00 32.46 31.03 2bcg n ARG 129 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2bcg n VAL 130 N 2.32 0.00 -3.15 5.15 0.24 0.16 -4.95 118.33 118.10 2bcg n VAL 130 Ca 0.14 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.02 2bcg n VAL 130 Cb 0.29 0.30 -0.07 0.00 -1.47 0.00 0.00 33.84 32.89 2bcg n VAL 130 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2bcg s VAL 131 N -1.24 4.92 0.27 3.34 1.01 -0.65 -4.99 120.40 123.06 2bcg s VAL 131 Ca 0.00 0.37 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 2bcg s VAL 131 Cb 0.00 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 2bcg s VAL 131 CO 0.00 -0.36 1.24 -1.61 0.00 0.00 0.00 175.10 174.37 2bcg s GLU 132 N 2.63 4.45 0.19 2.72 0.41 -1.26 -4.93 118.70 122.91 2bcg s GLU 132 Ca 0.22 2.04 -0.13 0.00 -0.41 0.00 0.00 54.97 56.68 2bcg s GLU 132 Cb -0.15 -3.15 0.19 0.00 -1.78 0.00 0.00 34.13 29.24 2bcg s GLU 132 CO 0.15 -0.09 1.70 -0.92 -0.49 0.00 0.00 175.26 175.62 2bcg h TYR 133 N 4.15 0.06 -0.33 1.61 3.20 -1.99 -2.18 116.97 121.49 2bcg h TYR 133 Ca -0.47 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.36 2bcg h TYR 133 Cb 1.22 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 2bcg h TYR 133 CO 0.59 -0.06 -0.12 -0.44 -1.64 0.00 0.00 178.16 176.49 2bcg h ASP 134 N 0.17 0.55 -0.26 -2.11 3.32 -1.99 0.31 116.42 116.41 2bcg h ASP 134 Ca 0.25 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 2bcg h ASP 134 Cb 0.36 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2bcg h ASP 134 CO -0.37 0.70 0.05 0.58 -1.72 0.00 0.00 179.24 178.48 2bcg h VAL 135 N 0.52 1.22 -0.69 -1.35 2.07 -1.84 -0.92 116.25 115.26 2bcg h VAL 135 Ca 0.09 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 2bcg h VAL 135 Cb 0.51 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2bcg h VAL 135 CO 0.03 0.24 0.24 0.00 0.02 0.00 0.00 177.57 178.10 2bcg h ALA 136 N 0.87 0.90 -0.45 1.67 0.00 -0.87 -1.05 119.26 120.32 2bcg h ALA 136 Ca 0.08 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2bcg h ALA 136 Cb 0.31 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2bcg h ALA 136 CO 0.00 0.55 0.08 -0.22 0.00 0.00 0.00 179.25 179.66 2bcg h LYS 137 N 0.99 0.75 -0.54 0.00 1.63 -0.90 0.71 116.57 119.20 2bcg h LYS 137 Ca 0.23 -0.20 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 2bcg h LYS 137 Cb 0.26 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 2bcg h LYS 137 CO -0.01 0.76 0.07 0.93 -3.45 0.00 0.00 179.45 177.75 2bcg h GLU 138 N 0.61 0.88 -0.22 1.90 5.08 -1.00 -0.38 114.58 121.44 2bcg h GLU 138 Ca 0.14 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2bcg h GLU 138 Cb 0.37 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2bcg h GLU 138 CO 0.01 0.83 0.08 0.35 -1.00 0.00 0.00 179.01 179.28 2bcg h PHE 139 N 0.83 0.34 -0.49 4.33 3.04 -0.83 -1.05 116.94 123.11 2bcg h PHE 139 Ca 0.17 -0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.13 2bcg h PHE 139 Cb 0.39 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.76 2bcg h PHE 139 CO 0.02 0.38 0.25 0.00 -2.02 0.00 0.00 178.31 176.95 2bcg h ALA 140 N 0.92 0.63 -0.38 2.41 0.00 -0.56 -2.00 119.26 120.28 2bcg h ALA 140 Ca 0.07 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2bcg h ALA 140 Cb 0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 2bcg h ALA 140 CO -0.01 -0.10 -0.12 -0.44 0.00 0.00 0.00 179.25 178.59 2bcg h ASP 141 N 0.49 -0.42 0.39 0.00 3.45 -0.91 -1.36 116.42 118.07 2bcg h ASP 141 Ca 0.21 0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.80 2bcg h ASP 141 Cb 0.12 0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 2bcg h ASP 141 CO -0.15 -0.15 0.00 0.00 -1.57 0.00 0.00 179.24 177.37 2bcg n ALA 142 N -2.72 1.40 -1.25 3.45 0.00 -0.41 -2.57 120.51 118.41 2bcg n ALA 142 Ca 0.02 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.63 2bcg n ALA 142 Cb 0.23 -1.30 0.14 0.00 0.00 0.00 0.00 19.45 18.52 2bcg n ALA 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bcg n ASN 143 N -2.05 2.04 -3.00 0.00 3.02 -0.59 -5.02 115.26 109.67 2bcg n ASN 143 Ca 0.01 -3.13 -0.20 0.00 -0.03 0.00 0.00 54.58 51.23 2bcg n ASN 143 Cb 0.14 -0.43 0.06 0.00 -0.61 0.00 0.00 39.78 38.94 2bcg n ASN 143 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2bcg n LYS 144 N -1.25 -6.21 -3.98 3.52 5.02 -0.77 -5.01 118.16 109.49 2bcg n LYS 144 Ca 0.15 0.71 -0.11 0.00 -2.02 0.00 0.00 58.31 57.05 2bcg n LYS 144 Cb 0.66 -5.35 -0.12 0.00 -0.02 0.00 0.00 35.03 30.20 2bcg n LYS 144 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bcg s MET 145 N -5.99 0.27 1.10 1.97 0.23 -0.76 -4.75 119.30 111.37 2bcg s MET 145 Ca 0.45 -0.46 -0.15 0.00 -1.03 0.00 0.00 55.69 54.50 2bcg s MET 145 Cb -0.20 -0.00 0.24 0.00 -1.53 0.00 0.00 34.83 33.34 2bcg s MET 145 CO 0.55 -0.01 1.08 -2.14 -2.03 0.00 0.00 175.02 172.47 2bcg s PRO 146 N -1.04 -0.37 -0.09 3.16 0.02 -1.26 -3.89 135.00 131.53 2bcg s PRO 146 Ca -0.10 0.37 -0.05 0.00 0.02 0.00 0.00 61.00 61.24 2bcg s PRO 146 Cb -0.07 -1.66 0.04 0.00 0.02 0.00 0.00 34.50 32.83 2bcg s PRO 146 CO -0.01 -3.24 0.21 0.12 -0.33 0.00 0.00 177.00 173.76 2bcg s PHE 147 N -2.88 -0.27 0.03 6.54 5.36 -1.26 -1.35 117.98 124.15 2bcg s PHE 147 Ca 0.67 0.67 0.02 0.00 -0.96 0.00 0.00 56.93 57.33 2bcg s PHE 147 Cb -0.17 0.02 -0.02 0.00 -0.34 0.00 0.00 43.02 42.51 2bcg s PHE 147 CO 0.58 -0.20 -0.08 -0.51 -1.46 0.00 0.00 175.22 173.56 2bcg s LEU 148 N 1.06 2.20 -0.15 6.12 1.43 -0.49 -5.00 118.68 123.84 2bcg s LEU 148 Ca -0.08 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 2bcg s LEU 148 Cb -0.09 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.88 2bcg s LEU 148 CO -0.07 -0.13 0.09 -1.61 0.23 0.00 0.00 176.35 174.87 2bcg s GLU 149 N -1.22 3.72 0.28 1.70 2.02 -1.26 -0.86 118.70 123.08 2bcg s GLU 149 Ca -0.07 -0.26 0.04 0.00 0.02 0.00 0.00 54.97 54.70 2bcg s GLU 149 Cb -0.08 -3.19 -0.06 0.00 0.10 0.00 0.00 34.13 30.90 2bcg s GLU 149 CO 0.00 0.49 0.01 0.95 0.02 0.00 0.00 175.26 176.73 2bcg s THR 150 N -0.22 1.24 -0.17 3.63 -4.23 0.51 -4.62 115.64 111.78 2bcg s THR 150 Ca 0.09 -2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 58.51 2bcg s THR 150 Cb -0.12 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.24 2bcg s THR 150 CO 0.01 -0.19 0.08 -0.55 -0.54 0.00 0.00 174.62 173.43 2bcg s SER 151 N -3.41 2.33 0.47 3.99 0.15 -0.23 -1.12 113.70 115.89 2bcg s SER 151 Ca 0.32 -0.59 0.13 0.00 0.70 0.00 0.00 55.95 56.50 2bcg s SER 151 Cb 0.06 -0.27 1.10 0.00 -1.71 0.00 0.00 66.02 65.20 2bcg s SER 151 CO 0.12 -0.34 2.08 0.00 1.20 0.00 0.00 173.24 176.30 2bcg h ALA 152 N 8.40 1.93 0.13 5.45 0.00 -1.90 0.19 119.26 133.46 2bcg h ALA 152 Ca -0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2bcg h ALA 152 Cb 1.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2bcg h ALA 152 CO 0.29 0.03 -0.06 1.25 0.00 0.00 0.00 179.25 180.76 2bcg h LEU 153 N 0.26 -0.15 -1.87 0.00 6.46 -1.94 -3.28 115.31 114.79 2bcg h LEU 153 Ca 0.11 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 2bcg h LEU 153 Cb 0.12 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 2bcg h LEU 153 CO -0.02 0.16 0.00 -0.90 -0.62 0.00 0.00 178.44 177.06 2bcg n ASP 154 N -5.03 2.62 0.00 1.25 5.68 -1.19 -4.95 116.55 114.93 2bcg n ASP 154 Ca -0.09 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 2bcg n ASP 154 Cb 0.20 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 2bcg n ASP 154 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2bcg n SER 155 N 1.00 0.00 -4.69 -1.12 3.41 0.63 -5.01 113.62 107.84 2bcg n SER 155 Ca 0.12 0.00 -0.56 0.00 -0.26 0.00 0.00 58.87 58.16 2bcg n SER 155 Cb 0.45 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.33 2bcg n SER 155 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2bcg n THR 156 N -2.00 0.33 -0.94 6.66 -1.04 -1.05 -1.86 114.28 114.38 2bcg n THR 156 Ca 0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2bcg n THR 156 Cb 0.00 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 2bcg n THR 156 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2bcg n ASN 157 N 5.87 -4.56 0.16 8.00 3.02 -1.26 -1.06 115.26 125.43 2bcg n ASN 157 Ca 0.27 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.70 2bcg n ASN 157 Cb 0.15 -2.69 -0.07 0.00 -0.61 0.00 0.00 39.78 36.56 2bcg n ASN 157 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2bcg h VAL 158 N 0.00 0.55 -0.71 2.41 2.07 -1.67 0.42 116.25 119.32 2bcg h VAL 158 Ca 0.00 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 66.91 2bcg h VAL 158 Cb 0.66 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 2bcg h VAL 158 CO 0.00 0.11 0.40 -0.08 0.02 0.00 0.00 177.57 178.02 2bcg h GLU 159 N -0.90 0.69 0.00 1.57 4.57 -1.90 -1.92 114.58 116.69 2bcg h GLU 159 Ca -0.05 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 2bcg h GLU 159 Cb 0.53 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2bcg h GLU 159 CO 0.08 0.46 -0.13 -0.44 -1.18 0.00 0.00 179.01 177.80 2bcg h ASP 160 N 0.72 0.00 -0.20 1.04 3.32 -1.89 -0.34 116.42 119.07 2bcg h ASP 160 Ca 0.33 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 2bcg h ASP 160 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2bcg h ASP 160 CO -0.20 0.13 -0.03 0.00 -1.72 0.00 0.00 179.24 177.42 2bcg h ALA 161 N 1.87 0.27 -0.24 3.45 0.00 -0.10 0.90 119.26 125.42 2bcg h ALA 161 Ca -0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2bcg h ALA 161 Cb 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2bcg h ALA 161 CO 0.02 0.02 -0.43 0.74 0.00 0.00 0.00 179.25 179.59 2bcg h PHE 162 N 0.10 0.71 -0.55 0.00 0.04 -1.21 -2.07 116.94 113.96 2bcg h PHE 162 Ca 0.05 -0.22 -0.11 0.00 2.80 0.00 0.00 57.97 60.50 2bcg h PHE 162 Cb 0.45 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 2bcg h PHE 162 CO 0.04 0.92 -0.08 -0.07 -0.60 0.00 0.00 178.31 178.53 2bcg h LEU 163 N 0.48 1.01 -0.53 1.54 3.38 -1.02 -1.44 115.31 118.73 2bcg h LEU 163 Ca 0.04 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.74 2bcg h LEU 163 Cb 0.95 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 2bcg h LEU 163 CO 0.09 1.10 0.24 0.74 0.09 0.00 0.00 178.44 180.70 2bcg h THR 164 N 0.91 0.90 -0.25 0.22 2.02 -0.57 -1.55 112.91 114.59 2bcg h THR 164 Ca 0.15 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 2bcg h THR 164 Cb 0.64 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2bcg h THR 164 CO 0.04 0.08 -0.00 -0.03 0.37 0.00 0.00 175.52 175.98 2bcg h MET 165 N 0.46 0.44 -0.57 6.66 1.85 -1.19 -0.28 114.93 122.31 2bcg h MET 165 Ca 0.24 -0.14 0.06 0.00 -0.61 0.00 0.00 59.70 59.25 2bcg h MET 165 Cb 0.20 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.15 2bcg h MET 165 CO -0.20 0.62 0.38 0.00 -0.40 0.00 0.00 176.91 177.31 2bcg h ALA 166 N 0.81 1.86 -0.00 0.39 0.00 -1.03 -1.41 119.26 119.87 2bcg h ALA 166 Ca 0.07 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 2bcg h ALA 166 Cb 0.42 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2bcg h ALA 166 CO 0.01 0.04 -0.92 0.00 0.00 0.00 0.00 179.25 178.39 2bcg h ARG 167 N 0.53 0.34 -0.99 0.00 3.08 -1.02 -2.15 114.38 114.17 2bcg h ARG 167 Ca 0.25 -0.36 0.03 0.00 0.07 0.00 0.00 59.98 59.97 2bcg h ARG 167 Cb 0.31 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.41 2bcg h ARG 167 CO -0.07 1.05 0.65 1.96 -1.07 0.00 0.00 179.97 182.49 2bcg h GLN 168 N 0.19 1.23 0.34 0.04 4.20 -0.01 -2.26 115.11 118.84 2bcg h GLN 168 Ca -0.07 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 2bcg h GLN 168 Cb 1.55 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 29.05 2bcg h GLN 168 CO 0.15 0.81 -0.16 0.82 -0.67 0.00 0.00 178.83 179.78 2bcg h ILE 169 N 1.27 0.23 -0.78 2.54 2.04 -1.34 -2.23 117.51 119.23 2bcg h ILE 169 Ca 0.39 -0.74 0.08 0.00 1.00 0.00 0.00 64.86 65.59 2bcg h ILE 169 Cb -0.03 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.38 2bcg h ILE 169 CO -0.12 0.06 0.51 0.50 0.00 0.00 0.00 178.15 179.10 2bcg h LYS 170 N -1.06 0.74 0.00 2.37 3.64 -1.42 -1.76 116.57 119.08 2bcg h LYS 170 Ca -0.05 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 2bcg h LYS 170 Cb 0.44 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2bcg h LYS 170 CO 0.08 0.49 -0.71 1.05 -2.27 0.00 0.00 179.45 178.09 2bcg h GLU 171 N 0.77 0.00 0.00 1.90 4.11 -1.50 -3.33 114.58 116.53 2bcg h GLU 171 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 2bcg h GLU 171 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2bcg h GLU 171 CO -0.13 0.08 -0.81 0.66 0.07 0.00 0.00 179.01 178.88 2bcg h SER 172 N 0.00 0.00 -3.36 3.06 4.64 -0.70 -3.48 113.55 113.71 2bcg h SER 172 Ca -0.02 -0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.77 2bcg h SER 172 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2bcg h SER 172 CO 0.01 0.00 0.44 -0.04 -0.87 0.00 0.00 176.83 176.37 2bcg s MET 173 N -3.34 4.53 0.63 4.77 -1.94 -0.80 -5.02 119.30 118.13 2bcg s MET 173 Ca 0.01 1.56 -0.18 0.00 -1.71 0.00 0.00 55.69 55.36 2bcg s MET 173 Cb 0.09 -3.40 -0.02 0.00 2.01 0.00 0.00 34.83 33.50 2bcg s MET 173 CO 0.77 -0.09 1.28 -1.54 -0.01 0.00 0.00 175.02 175.43 2bcg s SER 174 N 0.87 4.76 0.31 3.03 1.04 -1.26 -4.73 113.70 117.72 2bcg s SER 174 Ca 0.54 2.59 0.03 0.00 0.48 0.00 0.00 55.95 59.59 2bcg s SER 174 Cb -0.24 -2.62 0.63 0.00 0.10 0.00 0.00 66.02 63.89 2bcg s SER 174 CO 0.29 -1.90 1.88 -0.61 0.98 0.00 0.00 173.24 173.88 2bcg h GLN 175 N 0.67 0.89 -0.09 4.02 5.75 -1.98 -0.33 115.11 124.03 2bcg h GLN 175 Ca -0.51 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 57.97 2bcg h GLN 175 Cb 1.33 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 29.64 2bcg h GLN 175 CO 0.54 0.59 -0.15 0.37 -2.65 0.00 0.00 178.83 177.53 2bcg h GLN 176 N 0.91 -0.19 -0.75 1.69 4.15 -2.00 -1.14 115.11 117.77 2bcg h GLN 176 Ca 0.44 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.82 2bcg h GLN 176 Cb 0.44 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 2bcg h GLN 176 CO -0.20 -0.13 0.25 -0.91 -1.93 0.00 0.00 178.83 175.92 2bcg h ASN 177 N -0.20 1.07 0.01 -0.69 -0.26 -1.53 -3.01 115.58 110.97 2bcg h ASN 177 Ca 0.08 -0.19 -0.15 0.00 -0.56 0.00 0.00 56.30 55.48 2bcg h ASN 177 Cb 0.32 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 2bcg h ASN 177 CO -0.21 0.98 -0.48 0.25 -1.06 0.00 0.00 177.43 176.91 2bcg h LEU 178 N 1.11 0.58 -1.00 1.61 5.85 -0.95 -3.04 115.31 119.47 2bcg h LEU 178 Ca 0.25 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 2bcg h LEU 178 Cb 0.28 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2bcg h LEU 178 CO -0.01 0.97 -0.03 0.78 -0.34 0.00 0.00 178.44 179.81 2bcg h ASN 179 N 0.43 0.65 0.59 1.25 -0.26 -1.16 -2.78 115.58 114.30 2bcg h ASN 179 Ca 0.02 -0.16 0.00 0.00 -0.56 0.00 0.00 56.30 55.61 2bcg h ASN 179 Cb 1.00 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 38.09 2bcg h ASN 179 CO 0.09 0.75 0.00 -0.33 -1.06 0.00 0.00 177.43 176.88 2bcg h GLU 180 N 0.64 0.00 -0.01 0.81 4.39 -1.41 -2.24 114.58 116.75 2bcg h GLU 180 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2bcg h GLU 180 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2bcg h GLU 180 CO 0.02 0.00 -0.10 0.25 -1.16 0.00 0.00 179.01 178.02 2bcg n THR 181 N -2.61 0.00 -2.58 1.13 -2.24 -1.05 -4.71 114.28 102.22 2bcg n THR 181 Ca 0.00 -0.22 -0.32 0.00 -2.27 0.00 0.00 64.05 61.25 2bcg n THR 181 Cb 0.20 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 2bcg n THR 181 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2bcg s THR 182 N -2.19 4.57 0.27 4.28 -4.23 -0.84 -0.47 115.64 117.02 2bcg s THR 182 Ca 0.32 1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 61.93 2bcg s THR 182 Cb 0.20 -3.70 0.26 0.00 1.34 0.00 0.00 72.50 70.60 2bcg s THR 182 CO 0.41 -0.58 1.85 -0.61 -0.54 0.00 0.00 174.62 175.14 2bcg h GLN 183 N 1.18 0.98 -0.04 3.99 4.15 -1.75 0.53 115.11 124.16 2bcg h GLN 183 Ca -0.47 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 58.90 2bcg h GLN 183 Cb 1.18 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.65 2bcg h GLN 183 CO 0.62 0.65 0.05 1.57 -1.93 0.00 0.00 178.83 179.79 2bcg h LYS 184 N 1.01 0.00 -0.41 1.69 2.10 -1.92 -2.31 116.57 116.74 2bcg h LYS 184 Ca 0.45 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.09 2bcg h LYS 184 Cb 0.33 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2bcg h LYS 184 CO -0.22 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 178.86 2bcg n LYS 185 N -3.73 3.83 0.15 0.07 4.76 0.17 -4.53 118.16 118.88 2bcg n LYS 185 Ca -0.02 -3.00 0.03 0.00 -2.87 0.00 0.00 58.31 52.45 2bcg n LYS 185 Cb 0.13 -2.05 0.09 0.00 -1.84 0.00 0.00 35.03 31.37 2bcg n LYS 185 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 2bcg h GLU 186 N 2.81 0.00 -5.97 1.97 4.11 -1.31 -3.41 114.58 112.77 2bcg h GLU 186 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.93 2bcg h GLU 186 Cb 1.70 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.92 2bcg h GLU 186 CO 0.35 0.50 1.37 0.34 0.07 0.00 0.00 179.01 181.65 2bcg s ASP 187 N -6.46 5.25 0.00 3.06 3.68 -1.26 -4.84 116.67 116.09 2bcg s ASP 187 Ca 0.03 0.48 0.23 0.00 2.13 0.00 0.00 52.55 55.42 2bcg s ASP 187 Cb 0.08 -2.53 0.78 0.00 -1.45 0.00 0.00 42.92 39.80 2bcg s ASP 187 CO 0.74 -2.37 1.57 0.29 0.13 0.00 0.00 175.17 175.53 2bcg n LYS 188 N 9.11 1.80 -0.96 4.34 4.76 -1.26 -4.91 118.16 131.04 2bcg n LYS 188 Ca 0.22 -1.19 0.00 0.00 -2.87 0.00 0.00 58.31 54.47 2bcg n LYS 188 Cb 0.52 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 2bcg n LYS 188 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bcg n GLY 189 N 1.18 0.48 3.91 0.72 0.00 -1.26 -5.05 105.19 105.17 2bcg n GLY 189 Ca 0.17 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 2bcg n GLY 189 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bcg s ASN 190 N -2.33 6.00 0.05 1.61 0.01 -1.26 -5.07 114.94 113.95 2bcg s ASN 190 Ca 0.00 0.81 -0.19 0.00 -0.71 0.00 0.00 52.86 52.77 2bcg s ASN 190 Cb 0.00 -2.01 -0.06 0.00 0.41 0.00 0.00 41.25 39.59 2bcg s ASN 190 CO 0.00 -0.75 0.56 -0.69 -1.51 0.00 0.00 177.10 174.70 2bcg s VAL 191 N -2.81 4.80 -0.51 1.60 1.01 -1.26 -5.04 120.40 118.19 2bcg s VAL 191 Ca 0.50 1.18 -0.21 0.00 0.00 0.00 0.00 61.98 63.44 2bcg s VAL 191 Cb -0.10 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.44 2bcg s VAL 191 CO 0.44 0.53 0.76 0.21 0.00 0.00 0.00 175.10 177.05 2bcg s ASN 192 N -0.94 6.29 0.55 3.32 3.84 -1.26 -4.92 114.94 121.82 2bcg s ASN 192 Ca 0.29 -0.60 0.33 0.00 0.21 0.00 0.00 52.86 53.09 2bcg s ASN 192 Cb -0.19 -2.35 1.57 0.00 -0.55 0.00 0.00 41.25 39.72 2bcg s ASN 192 CO 0.18 -1.01 2.07 -0.07 -2.79 0.00 0.00 177.10 175.48 2bcg h LEU 193 N 10.22 0.00 -3.63 3.21 4.07 -2.05 -1.85 115.31 125.29 2bcg h LEU 193 Ca -0.27 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.37 2bcg h LEU 193 Cb 1.09 0.00 -0.19 0.00 1.08 0.00 0.00 40.66 42.63 2bcg h LEU 193 CO 1.01 0.06 0.41 0.29 -1.08 0.00 0.00 178.44 179.13 2bcg n LYS 194 N -3.28 2.82 -4.29 1.13 5.02 -1.26 -4.92 118.16 113.38 2bcg n LYS 194 Ca -0.01 -2.71 -0.34 0.00 -2.02 0.00 0.00 58.31 53.23 2bcg n LYS 194 Cb 0.25 -2.09 -0.14 0.00 -0.02 0.00 0.00 35.03 33.03 2bcg n LYS 194 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2bcg s GLY 195 N -0.93 1.55 0.00 0.72 0.00 -0.70 -5.31 107.32 102.65 2bcg s GLY 195 Ca 0.50 -1.06 0.29 0.00 0.00 0.00 0.00 44.72 44.45 2bcg s GLY 195 CO 0.11 0.16 1.88 0.61 0.00 0.00 0.00 173.10 175.86